USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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 5 MET CE :methyl -163:sc= -0.106 (180deg=-0.778) USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 176:sc= 2.08 (180deg=0.949) USER MOD Set 2.2: A 34 SER OG : rot -47:sc= 1.21 USER MOD Set 2.3: A 60 GLN : amide:sc= 0.428 K(o=5.1,f=-7.1!) USER MOD Set 2.4: A 61 THR OG1 : rot -162:sc= 1.43 USER MOD Set 3.1: A 8 CYS SG : rot 170:sc= 1.15 USER MOD Set 3.2: A 15 SER OG : rot 64:sc= 0.0596 USER MOD Set 4.1: A 11 ASN : amide:sc= 0.342 K(o=0.11,f=-2.8) USER MOD Set 4.2: A 13 CYS SG : rot -80:sc= -0.667 USER MOD Set 4.3: A 43 HIS : no HD1:sc= 0.43 K(o=0.11,f=-4.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.0978 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 0.871 (180deg=0.853) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.13) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.735 USER MOD Single : A 16 GLN : amide:sc= -0.943 K(o=-0.94,f=-1.7) USER MOD Single : A 17 MET CE :methyl -157:sc= -0.964 (180deg=-2.95) USER MOD Single : A 24 THR OG1 : rot 101:sc= 0.57 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.0129 USER MOD Single : A 35 CYS SG : rot 160:sc= -0.258 USER MOD Single : A 39 SER OG : rot -76:sc= 0.459 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 172:sc= -0.924 (180deg=-1.17) USER MOD Single : A 50 MET CE :methyl 171:sc= -1.87 (180deg=-2.07) USER MOD Single : A 58 SER OG : rot 180:sc= 0.097 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.62) USER MOD Single : A 69 ASN : amide:sc= 0.878 K(o=0.88,f=-0.011) USER MOD Single : A 78 SER OG : rot 95:sc= 0.882 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.461 USER MOD Single : A 82 CYS SG : rot -30:sc= 0.547 USER MOD Single : A 85 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 93 GLN : amide:sc= 0.308 K(o=0.31,f=-3.1!) USER MOD Single : A 100 GLN : amide:sc= 0.685 K(o=0.69,f=-0.091) USER MOD Single : A 107 GLN : amide:sc= -3.71! C(o=-3.7!,f=-6.8!) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 114 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 118 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0048) USER MOD Single : A 120 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.08) USER MOD Single : A 125 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -158:sc= 1.22 (180deg=1.17) USER MOD Single : A 131 SER OG : rot -150:sc=-0.00278 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.906 -0.801 1.175 1.00 0.00 N ATOM 2 CA MET A 1 1.808 0.032 0.314 1.00 0.00 C ATOM 3 C MET A 1 3.039 -0.807 -0.093 1.00 0.00 C ATOM 4 O MET A 1 3.318 -1.780 0.604 1.00 0.00 O ATOM 5 CB MET A 1 2.179 1.343 1.060 1.00 0.00 C ATOM 6 CG MET A 1 2.381 2.553 0.144 1.00 0.00 C ATOM 7 SD MET A 1 0.919 3.041 -0.813 1.00 0.00 S ATOM 8 CE MET A 1 1.496 4.629 -1.475 1.00 0.00 C ATOM 0 H1 MET A 1 0.077 -1.099 0.623 1.00 0.00 H new ATOM 0 H2 MET A 1 1.421 -1.641 1.506 1.00 0.00 H new ATOM 0 H3 MET A 1 0.594 -0.241 1.994 1.00 0.00 H new ATOM 0 HA MET A 1 1.303 0.328 -0.605 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.393 1.573 1.779 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.093 1.177 1.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.699 3.401 0.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.194 2.334 -0.548 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.714 5.071 -2.093 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.732 5.302 -0.651 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.389 4.468 -2.080 1.00 0.00 H new ATOM 18 N LYS A 2 3.774 -0.500 -1.188 1.00 0.00 N ATOM 19 CA LYS A 2 4.853 -1.398 -1.660 1.00 0.00 C ATOM 20 C LYS A 2 5.856 -1.629 -0.543 1.00 0.00 C ATOM 21 O LYS A 2 6.341 -0.662 0.046 1.00 0.00 O ATOM 22 CB LYS A 2 5.527 -1.019 -3.004 1.00 0.00 C ATOM 23 CG LYS A 2 6.179 0.332 -3.190 1.00 0.00 C ATOM 24 CD LYS A 2 5.164 1.489 -3.311 1.00 0.00 C ATOM 25 CE LYS A 2 5.839 2.789 -3.759 1.00 0.00 C ATOM 26 NZ LYS A 2 4.846 3.799 -4.226 1.00 0.00 N ATOM 0 H LYS A 2 3.644 0.342 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 2 4.360 -2.337 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.289 -1.772 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.769 -1.118 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.842 0.527 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.800 0.308 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.386 1.218 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.674 1.646 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.416 3.202 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.544 2.574 -4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.344 4.593 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.202 3.360 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.299 4.149 -3.414 1.00 0.00 H new ATOM 40 N LYS A 3 6.090 -2.888 -0.187 1.00 0.00 N ATOM 41 CA LYS A 3 6.860 -3.218 1.000 1.00 0.00 C ATOM 42 C LYS A 3 8.305 -3.382 0.594 1.00 0.00 C ATOM 43 O LYS A 3 8.588 -3.978 -0.447 1.00 0.00 O ATOM 44 CB LYS A 3 6.354 -4.475 1.719 1.00 0.00 C ATOM 45 CG LYS A 3 4.825 -4.620 1.793 1.00 0.00 C ATOM 46 CD LYS A 3 4.355 -5.842 2.600 1.00 0.00 C ATOM 47 CE LYS A 3 4.889 -5.875 4.044 1.00 0.00 C ATOM 48 NZ LYS A 3 4.180 -6.879 4.881 1.00 0.00 N ATOM 0 H LYS A 3 5.754 -3.698 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 3 6.747 -2.404 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.761 -5.351 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.752 -4.478 2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.405 -3.718 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.427 -4.690 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.265 -5.852 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.670 -6.749 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.955 -6.103 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.780 -4.888 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.723 -7.051 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.235 -6.521 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.085 -7.769 4.351 1.00 0.00 H new ATOM 62 N VAL A 4 9.196 -2.921 1.457 1.00 0.00 N ATOM 63 CA VAL A 4 10.626 -2.934 1.234 1.00 0.00 C ATOM 64 C VAL A 4 11.284 -3.683 2.383 1.00 0.00 C ATOM 65 O VAL A 4 10.783 -3.666 3.509 1.00 0.00 O ATOM 66 CB VAL A 4 11.181 -1.508 1.098 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.618 -1.529 0.561 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.330 -0.636 0.157 1.00 0.00 C ATOM 0 H VAL A 4 8.933 -2.517 2.356 1.00 0.00 H new ATOM 0 HA VAL A 4 10.848 -3.442 0.296 1.00 0.00 H new ATOM 0 HB VAL A 4 11.155 -1.077 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.989 -0.508 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.254 -2.089 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.633 -2.006 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.764 0.362 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.309 -1.085 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.314 -0.566 0.545 1.00 0.00 H new ATOM 78 N MET A 5 12.436 -4.287 2.112 1.00 0.00 N ATOM 79 CA MET A 5 13.224 -5.025 3.077 1.00 0.00 C ATOM 80 C MET A 5 14.680 -4.654 2.866 1.00 0.00 C ATOM 81 O MET A 5 15.110 -4.519 1.716 1.00 0.00 O ATOM 82 CB MET A 5 13.035 -6.520 2.830 1.00 0.00 C ATOM 83 CG MET A 5 13.747 -7.396 3.865 1.00 0.00 C ATOM 84 SD MET A 5 13.235 -7.133 5.582 1.00 0.00 S ATOM 85 CE MET A 5 11.771 -8.193 5.611 1.00 0.00 C ATOM 0 H MET A 5 12.856 -4.272 1.182 1.00 0.00 H new ATOM 0 HA MET A 5 12.917 -4.788 4.096 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.970 -6.751 2.838 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.407 -6.768 1.836 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.579 -8.442 3.609 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.820 -7.218 3.791 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.153 -7.937 6.472 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.197 -8.046 4.696 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.079 -9.236 5.683 1.00 0.00 H new ATOM 95 N PHE A 6 15.440 -4.572 3.957 1.00 0.00 N ATOM 96 CA PHE A 6 16.860 -4.264 3.936 1.00 0.00 C ATOM 97 C PHE A 6 17.579 -5.377 4.705 1.00 0.00 C ATOM 98 O PHE A 6 17.277 -5.587 5.882 1.00 0.00 O ATOM 99 CB PHE A 6 17.101 -2.880 4.545 1.00 0.00 C ATOM 100 CG PHE A 6 16.465 -1.774 3.733 1.00 0.00 C ATOM 101 CD1 PHE A 6 15.131 -1.417 3.983 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.155 -1.189 2.656 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.477 -0.511 3.144 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.509 -0.244 1.841 1.00 0.00 C ATOM 105 CZ PHE A 6 15.168 0.099 2.084 1.00 0.00 C ATOM 0 H PHE A 6 15.074 -4.722 4.897 1.00 0.00 H new ATOM 0 HA PHE A 6 17.250 -4.226 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.702 -2.858 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.174 -2.701 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.608 -1.844 4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.180 -1.466 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.436 -0.279 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.044 0.220 1.026 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.672 0.827 1.460 1.00 0.00 H new ATOM 115 N VAL A 7 18.488 -6.111 4.059 1.00 0.00 N ATOM 116 CA VAL A 7 19.071 -7.339 4.622 1.00 0.00 C ATOM 117 C VAL A 7 20.485 -7.042 5.113 1.00 0.00 C ATOM 118 O VAL A 7 21.276 -6.450 4.376 1.00 0.00 O ATOM 119 CB VAL A 7 19.060 -8.479 3.573 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.282 -9.849 4.227 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.759 -8.537 2.750 1.00 0.00 C ATOM 0 H VAL A 7 18.843 -5.874 3.132 1.00 0.00 H new ATOM 0 HA VAL A 7 18.471 -7.675 5.468 1.00 0.00 H new ATOM 0 HB VAL A 7 19.883 -8.248 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.268 -10.624 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.246 -9.858 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.489 -10.040 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.817 -9.357 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.913 -8.698 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.625 -7.597 2.214 1.00 0.00 H new ATOM 131 N CYS A 8 20.807 -7.448 6.340 1.00 0.00 N ATOM 132 CA CYS A 8 22.096 -7.238 6.995 1.00 0.00 C ATOM 133 C CYS A 8 22.698 -8.584 7.433 1.00 0.00 C ATOM 134 O CYS A 8 22.170 -9.651 7.116 1.00 0.00 O ATOM 135 CB CYS A 8 21.867 -6.275 8.184 1.00 0.00 C ATOM 136 SG CYS A 8 23.379 -5.362 8.616 1.00 0.00 S ATOM 0 H CYS A 8 20.147 -7.955 6.930 1.00 0.00 H new ATOM 0 HA CYS A 8 22.818 -6.790 6.312 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.076 -5.569 7.932 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.525 -6.842 9.050 1.00 0.00 H new ATOM 0 HG CYS A 8 23.090 -4.422 9.466 1.00 0.00 H new ATOM 142 N LYS A 9 23.831 -8.516 8.144 1.00 0.00 N ATOM 143 CA LYS A 9 24.447 -9.647 8.842 1.00 0.00 C ATOM 144 C LYS A 9 25.359 -9.079 9.924 1.00 0.00 C ATOM 145 O LYS A 9 25.108 -9.270 11.109 1.00 0.00 O ATOM 146 CB LYS A 9 25.192 -10.573 7.854 1.00 0.00 C ATOM 147 CG LYS A 9 25.787 -11.807 8.558 1.00 0.00 C ATOM 148 CD LYS A 9 26.435 -12.769 7.550 1.00 0.00 C ATOM 149 CE LYS A 9 27.015 -13.986 8.289 1.00 0.00 C ATOM 150 NZ LYS A 9 27.657 -14.958 7.363 1.00 0.00 N ATOM 0 H LYS A 9 24.357 -7.649 8.251 1.00 0.00 H new ATOM 0 HA LYS A 9 23.688 -10.275 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.505 -10.897 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 9 25.990 -10.014 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 9 26.530 -11.488 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.003 -12.328 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.696 -13.095 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.224 -12.256 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.748 -13.648 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.219 -14.486 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.033 -15.760 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.953 -15.303 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.434 -14.491 6.854 1.00 0.00 H new ATOM 164 N ARG A 10 26.401 -8.347 9.520 1.00 0.00 N ATOM 165 CA ARG A 10 27.402 -7.834 10.450 1.00 0.00 C ATOM 166 C ARG A 10 26.830 -6.725 11.320 1.00 0.00 C ATOM 167 O ARG A 10 26.226 -5.787 10.806 1.00 0.00 O ATOM 168 CB ARG A 10 28.636 -7.351 9.659 1.00 0.00 C ATOM 169 CG ARG A 10 29.574 -6.422 10.459 1.00 0.00 C ATOM 170 CD ARG A 10 30.916 -6.223 9.755 1.00 0.00 C ATOM 171 NE ARG A 10 31.804 -7.377 9.984 1.00 0.00 N ATOM 172 CZ ARG A 10 32.144 -8.330 9.106 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.819 -8.233 7.818 1.00 0.00 N ATOM 174 NH2 ARG A 10 32.802 -9.403 9.541 1.00 0.00 N ATOM 0 H ARG A 10 26.571 -8.097 8.546 1.00 0.00 H new ATOM 0 HA ARG A 10 27.707 -8.637 11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 10 29.202 -8.220 9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 10 28.299 -6.826 8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.092 -5.455 10.601 1.00 0.00 H new ATOM 0 HG3 ARG A 10 29.743 -6.843 11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.754 -6.090 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 10 31.392 -5.314 10.121 1.00 0.00 H new ATOM 0 HE ARG A 10 32.206 -7.459 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.301 -7.421 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.088 -8.971 7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.039 -9.490 10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.069 -10.138 8.886 1.00 0.00 H new ATOM 188 N ASN A 11 27.133 -6.812 12.616 1.00 0.00 N ATOM 189 CA ASN A 11 26.941 -5.817 13.668 1.00 0.00 C ATOM 190 C ASN A 11 25.596 -5.074 13.651 1.00 0.00 C ATOM 191 O ASN A 11 25.529 -3.943 14.124 1.00 0.00 O ATOM 192 CB ASN A 11 28.163 -4.874 13.636 1.00 0.00 C ATOM 193 CG ASN A 11 28.256 -3.979 14.872 1.00 0.00 C ATOM 194 OD1 ASN A 11 28.030 -4.430 15.996 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.615 -2.718 14.690 1.00 0.00 N ATOM 0 H ASN A 11 27.559 -7.661 12.989 1.00 0.00 H new ATOM 0 HA ASN A 11 26.881 -6.341 14.622 1.00 0.00 H new ATOM 0 HB2 ASN A 11 29.073 -5.469 13.555 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.110 -4.249 12.744 1.00 0.00 H new ATOM 0 HD21 ASN A 11 28.710 -2.094 15.491 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.796 -2.370 13.748 1.00 0.00 H new ATOM 202 N SER A 12 24.540 -5.679 13.092 1.00 0.00 N ATOM 203 CA SER A 12 23.195 -5.128 12.917 1.00 0.00 C ATOM 204 C SER A 12 23.151 -3.598 12.754 1.00 0.00 C ATOM 205 O SER A 12 22.635 -2.891 13.622 1.00 0.00 O ATOM 206 CB SER A 12 22.308 -5.595 14.067 1.00 0.00 C ATOM 207 OG SER A 12 22.397 -7.004 14.234 1.00 0.00 O ATOM 0 H SER A 12 24.610 -6.629 12.727 1.00 0.00 H new ATOM 0 HA SER A 12 22.814 -5.512 11.971 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.607 -5.096 14.989 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.274 -5.312 13.872 1.00 0.00 H new ATOM 0 HG SER A 12 21.822 -7.282 14.977 1.00 0.00 H new ATOM 213 N CYS A 13 23.728 -3.065 11.665 1.00 0.00 N ATOM 214 CA CYS A 13 23.686 -1.616 11.439 1.00 0.00 C ATOM 215 C CYS A 13 23.436 -1.192 9.993 1.00 0.00 C ATOM 216 O CYS A 13 22.325 -0.753 9.736 1.00 0.00 O ATOM 217 CB CYS A 13 24.880 -0.915 12.121 1.00 0.00 C ATOM 218 SG CYS A 13 26.433 -1.831 11.957 1.00 0.00 S ATOM 0 H CYS A 13 24.216 -3.600 10.947 1.00 0.00 H new ATOM 0 HA CYS A 13 22.785 -1.255 11.934 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.004 0.078 11.690 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.657 -0.778 13.179 1.00 0.00 H new ATOM 0 HG CYS A 13 26.468 -2.787 12.837 1.00 0.00 H new ATOM 224 N ARG A 14 24.364 -1.329 9.034 1.00 0.00 N ATOM 225 CA ARG A 14 24.225 -0.698 7.687 1.00 0.00 C ATOM 226 C ARG A 14 22.846 -0.814 7.029 1.00 0.00 C ATOM 227 O ARG A 14 22.296 0.183 6.581 1.00 0.00 O ATOM 228 CB ARG A 14 25.409 -1.069 6.755 1.00 0.00 C ATOM 229 CG ARG A 14 25.449 -2.542 6.283 1.00 0.00 C ATOM 230 CD ARG A 14 26.738 -2.893 5.513 1.00 0.00 C ATOM 231 NE ARG A 14 26.737 -4.322 5.104 1.00 0.00 N ATOM 232 CZ ARG A 14 27.800 -5.142 5.046 1.00 0.00 C ATOM 233 NH1 ARG A 14 29.031 -4.674 5.187 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.617 -6.443 4.866 1.00 0.00 N ATOM 0 H ARG A 14 25.222 -1.868 9.153 1.00 0.00 H new ATOM 0 HA ARG A 14 24.289 0.374 7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.373 -0.425 5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.341 -0.847 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.360 -3.198 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.587 -2.737 5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.824 -2.258 4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.607 -2.690 6.139 1.00 0.00 H new ATOM 0 HE ARG A 14 25.836 -4.721 4.840 1.00 0.00 H new ATOM 0 HH11 ARG A 14 29.183 -3.677 5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.827 -5.310 5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.673 -6.817 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.421 -7.070 4.821 1.00 0.00 H new ATOM 248 N SER A 15 22.238 -1.991 7.046 1.00 0.00 N ATOM 249 CA SER A 15 20.981 -2.243 6.340 1.00 0.00 C ATOM 250 C SER A 15 19.775 -2.016 7.257 1.00 0.00 C ATOM 251 O SER A 15 18.738 -1.543 6.807 1.00 0.00 O ATOM 252 CB SER A 15 21.019 -3.647 5.729 1.00 0.00 C ATOM 253 OG SER A 15 22.289 -4.256 5.941 1.00 0.00 O ATOM 0 H SER A 15 22.599 -2.802 7.549 1.00 0.00 H new ATOM 0 HA SER A 15 20.866 -1.530 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.237 -4.263 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 15 20.812 -3.589 4.660 1.00 0.00 H new ATOM 0 HG SER A 15 22.435 -4.382 6.902 1.00 0.00 H new ATOM 259 N GLN A 16 19.910 -2.250 8.564 1.00 0.00 N ATOM 260 CA GLN A 16 18.882 -1.850 9.528 1.00 0.00 C ATOM 261 C GLN A 16 18.739 -0.316 9.489 1.00 0.00 C ATOM 262 O GLN A 16 17.632 0.221 9.530 1.00 0.00 O ATOM 263 CB GLN A 16 19.268 -2.440 10.898 1.00 0.00 C ATOM 264 CG GLN A 16 18.324 -2.050 12.041 1.00 0.00 C ATOM 265 CD GLN A 16 18.947 -2.342 13.403 1.00 0.00 C ATOM 266 OE1 GLN A 16 19.684 -3.299 13.587 1.00 0.00 O ATOM 267 NE2 GLN A 16 18.695 -1.503 14.394 1.00 0.00 N ATOM 0 H GLN A 16 20.719 -2.713 8.979 1.00 0.00 H new ATOM 0 HA GLN A 16 17.892 -2.241 9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.294 -3.527 10.818 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.278 -2.115 11.149 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.083 -0.989 11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.387 -2.597 11.943 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.080 -0.704 14.242 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.116 -1.655 15.311 1.00 0.00 H new ATOM 276 N MET A 17 19.848 0.403 9.318 1.00 0.00 N ATOM 277 CA MET A 17 19.862 1.843 9.097 1.00 0.00 C ATOM 278 C MET A 17 19.183 2.190 7.788 1.00 0.00 C ATOM 279 O MET A 17 18.416 3.139 7.727 1.00 0.00 O ATOM 280 CB MET A 17 21.313 2.333 9.078 1.00 0.00 C ATOM 281 CG MET A 17 21.427 3.790 9.518 1.00 0.00 C ATOM 282 SD MET A 17 20.591 5.078 8.557 1.00 0.00 S ATOM 283 CE MET A 17 19.035 5.407 9.458 1.00 0.00 C ATOM 0 H MET A 17 20.780 -0.011 9.330 1.00 0.00 H new ATOM 0 HA MET A 17 19.317 2.332 9.904 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.916 1.707 9.735 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.720 2.224 8.073 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.056 3.853 10.541 1.00 0.00 H new ATOM 0 HG3 MET A 17 22.487 4.041 9.548 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.304 5.841 8.776 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.644 4.473 9.863 1.00 0.00 H new ATOM 0 HE3 MET A 17 19.227 6.104 10.274 1.00 0.00 H new ATOM 293 N ALA A 18 19.394 1.395 6.747 1.00 0.00 N ATOM 294 CA ALA A 18 18.760 1.662 5.473 1.00 0.00 C ATOM 295 C ALA A 18 17.239 1.626 5.619 1.00 0.00 C ATOM 296 O ALA A 18 16.573 2.475 5.038 1.00 0.00 O ATOM 297 CB ALA A 18 19.312 0.689 4.434 1.00 0.00 C ATOM 0 H ALA A 18 19.993 0.570 6.763 1.00 0.00 H new ATOM 0 HA ALA A 18 18.993 2.667 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.841 0.881 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.390 0.825 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.099 -0.334 4.744 1.00 0.00 H new ATOM 303 N GLU A 19 16.691 0.764 6.483 1.00 0.00 N ATOM 304 CA GLU A 19 15.277 0.839 6.827 1.00 0.00 C ATOM 305 C GLU A 19 14.979 2.152 7.544 1.00 0.00 C ATOM 306 O GLU A 19 13.952 2.759 7.258 1.00 0.00 O ATOM 307 CB GLU A 19 14.845 -0.328 7.716 1.00 0.00 C ATOM 308 CG GLU A 19 13.319 -0.383 7.907 1.00 0.00 C ATOM 309 CD GLU A 19 12.894 -0.901 9.294 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.248 -2.052 9.637 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.182 -0.168 10.023 1.00 0.00 O ATOM 0 H GLU A 19 17.203 0.016 6.950 1.00 0.00 H new ATOM 0 HA GLU A 19 14.714 0.786 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.188 -1.264 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.328 -0.239 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.905 0.614 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.887 -1.025 7.140 1.00 0.00 H new ATOM 318 N GLY A 20 15.837 2.627 8.455 1.00 0.00 N ATOM 319 CA GLY A 20 15.574 3.851 9.193 1.00 0.00 C ATOM 320 C GLY A 20 15.483 5.048 8.263 1.00 0.00 C ATOM 321 O GLY A 20 14.547 5.833 8.377 1.00 0.00 O ATOM 0 H GLY A 20 16.720 2.175 8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.643 3.749 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.366 4.015 9.924 1.00 0.00 H new ATOM 325 N PHE A 21 16.384 5.167 7.286 1.00 0.00 N ATOM 326 CA PHE A 21 16.260 6.207 6.267 1.00 0.00 C ATOM 327 C PHE A 21 15.059 5.920 5.380 1.00 0.00 C ATOM 328 O PHE A 21 14.366 6.854 5.000 1.00 0.00 O ATOM 329 CB PHE A 21 17.525 6.334 5.410 1.00 0.00 C ATOM 330 CG PHE A 21 18.575 7.292 5.927 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.261 8.642 6.189 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.895 6.853 6.092 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.252 9.524 6.659 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.878 7.730 6.560 1.00 0.00 C ATOM 335 CZ PHE A 21 20.565 9.069 6.852 1.00 0.00 C ATOM 0 H PHE A 21 17.199 4.562 7.180 1.00 0.00 H new ATOM 0 HA PHE A 21 16.121 7.157 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.977 5.347 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.233 6.650 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.255 9.001 6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 21 20.155 5.832 5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.001 10.553 6.871 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.889 7.375 6.699 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.327 9.740 7.221 1.00 0.00 H new ATOM 345 N ALA A 22 14.779 4.665 5.037 1.00 0.00 N ATOM 346 CA ALA A 22 13.739 4.362 4.063 1.00 0.00 C ATOM 347 C ALA A 22 12.352 4.612 4.643 1.00 0.00 C ATOM 348 O ALA A 22 11.500 5.134 3.938 1.00 0.00 O ATOM 349 CB ALA A 22 13.928 2.936 3.540 1.00 0.00 C ATOM 0 H ALA A 22 15.256 3.847 5.418 1.00 0.00 H new ATOM 0 HA ALA A 22 13.827 5.036 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.150 2.710 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.906 2.849 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.864 2.232 4.370 1.00 0.00 H new ATOM 355 N LYS A 23 12.106 4.327 5.921 1.00 0.00 N ATOM 356 CA LYS A 23 10.836 4.642 6.574 1.00 0.00 C ATOM 357 C LYS A 23 10.670 6.146 6.802 1.00 0.00 C ATOM 358 O LYS A 23 9.550 6.634 6.835 1.00 0.00 O ATOM 359 CB LYS A 23 10.691 3.800 7.857 1.00 0.00 C ATOM 360 CG LYS A 23 11.447 4.373 9.061 1.00 0.00 C ATOM 361 CD LYS A 23 11.562 3.352 10.199 1.00 0.00 C ATOM 362 CE LYS A 23 12.195 4.023 11.428 1.00 0.00 C ATOM 363 NZ LYS A 23 12.531 3.037 12.490 1.00 0.00 N ATOM 0 H LYS A 23 12.782 3.871 6.533 1.00 0.00 H new ATOM 0 HA LYS A 23 10.013 4.369 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.634 3.718 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.051 2.790 7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.444 4.684 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.933 5.264 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.576 2.961 10.452 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.169 2.504 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.098 4.553 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.507 4.768 11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.017 3.521 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.658 2.597 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.154 2.303 12.097 1.00 0.00 H new ATOM 377 N THR A 24 11.782 6.869 6.932 1.00 0.00 N ATOM 378 CA THR A 24 11.855 8.315 7.066 1.00 0.00 C ATOM 379 C THR A 24 11.532 8.992 5.726 1.00 0.00 C ATOM 380 O THR A 24 10.682 9.878 5.651 1.00 0.00 O ATOM 381 CB THR A 24 13.286 8.593 7.576 1.00 0.00 C ATOM 382 OG1 THR A 24 13.339 8.357 8.969 1.00 0.00 O ATOM 383 CG2 THR A 24 13.898 9.948 7.249 1.00 0.00 C ATOM 0 H THR A 24 12.704 6.433 6.947 1.00 0.00 H new ATOM 0 HA THR A 24 11.124 8.725 7.763 1.00 0.00 H new ATOM 0 HB THR A 24 13.909 7.898 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.742 7.479 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.903 10.004 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.949 10.073 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.281 10.739 7.677 1.00 0.00 H new ATOM 391 N LEU A 25 12.204 8.553 4.661 1.00 0.00 N ATOM 392 CA LEU A 25 12.204 9.199 3.355 1.00 0.00 C ATOM 393 C LEU A 25 11.065 8.696 2.465 1.00 0.00 C ATOM 394 O LEU A 25 10.566 9.430 1.615 1.00 0.00 O ATOM 395 CB LEU A 25 13.542 8.909 2.657 1.00 0.00 C ATOM 396 CG LEU A 25 14.759 9.649 3.218 1.00 0.00 C ATOM 397 CD1 LEU A 25 16.013 9.146 2.493 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.666 11.169 3.047 1.00 0.00 C ATOM 0 H LEU A 25 12.780 7.712 4.688 1.00 0.00 H new ATOM 0 HA LEU A 25 12.063 10.269 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.734 7.838 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.442 9.161 1.601 1.00 0.00 H new ATOM 0 HG LEU A 25 14.802 9.446 4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.890 9.664 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.122 8.074 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.919 9.342 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.558 11.637 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.590 11.412 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.784 11.540 3.568 1.00 0.00 H new ATOM 410 N GLY A 26 10.643 7.450 2.685 1.00 0.00 N ATOM 411 CA GLY A 26 9.580 6.747 1.974 1.00 0.00 C ATOM 412 C GLY A 26 8.271 6.768 2.764 1.00 0.00 C ATOM 413 O GLY A 26 7.373 5.967 2.499 1.00 0.00 O ATOM 0 H GLY A 26 11.063 6.870 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.425 7.209 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.881 5.715 1.794 1.00 0.00 H new ATOM 417 N ALA A 27 8.174 7.639 3.773 1.00 0.00 N ATOM 418 CA ALA A 27 7.069 7.696 4.712 1.00 0.00 C ATOM 419 C ALA A 27 5.764 7.954 3.967 1.00 0.00 C ATOM 420 O ALA A 27 5.628 8.969 3.279 1.00 0.00 O ATOM 421 CB ALA A 27 7.344 8.787 5.759 1.00 0.00 C ATOM 0 H ALA A 27 8.889 8.343 3.957 1.00 0.00 H new ATOM 0 HA ALA A 27 6.973 6.741 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.515 8.831 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.264 8.554 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.448 9.751 5.261 1.00 0.00 H new ATOM 427 N GLY A 28 4.813 7.025 4.090 1.00 0.00 N ATOM 428 CA GLY A 28 3.508 7.149 3.447 1.00 0.00 C ATOM 429 C GLY A 28 3.531 6.822 1.957 1.00 0.00 C ATOM 430 O GLY A 28 2.534 7.044 1.268 1.00 0.00 O ATOM 0 H GLY A 28 4.927 6.171 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.801 6.486 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.140 8.166 3.582 1.00 0.00 H new ATOM 434 N LYS A 29 4.648 6.293 1.448 1.00 0.00 N ATOM 435 CA LYS A 29 4.858 5.959 0.052 1.00 0.00 C ATOM 436 C LYS A 29 5.221 4.495 -0.082 1.00 0.00 C ATOM 437 O LYS A 29 4.976 3.914 -1.132 1.00 0.00 O ATOM 438 CB LYS A 29 5.978 6.835 -0.508 1.00 0.00 C ATOM 439 CG LYS A 29 5.630 8.330 -0.513 1.00 0.00 C ATOM 440 CD LYS A 29 4.553 8.702 -1.547 1.00 0.00 C ATOM 441 CE LYS A 29 4.318 10.222 -1.523 1.00 0.00 C ATOM 442 NZ LYS A 29 3.282 10.653 -2.499 1.00 0.00 N ATOM 0 H LYS A 29 5.459 6.080 2.029 1.00 0.00 H new ATOM 0 HA LYS A 29 3.942 6.140 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.881 6.681 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.204 6.518 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.285 8.619 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.533 8.905 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.866 8.388 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.624 8.177 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.016 10.524 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.255 10.735 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.161 11.684 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.580 10.390 -3.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.380 10.186 -2.276 1.00 0.00 H new ATOM 456 N ILE A 30 5.762 3.896 0.977 1.00 0.00 N ATOM 457 CA ILE A 30 6.122 2.490 1.072 1.00 0.00 C ATOM 458 C ILE A 30 5.905 1.988 2.495 1.00 0.00 C ATOM 459 O ILE A 30 5.645 2.768 3.412 1.00 0.00 O ATOM 460 CB ILE A 30 7.605 2.299 0.674 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.581 3.214 1.441 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.743 2.505 -0.831 1.00 0.00 C ATOM 463 CD1 ILE A 30 10.022 2.690 1.434 1.00 0.00 C ATOM 0 H ILE A 30 5.970 4.408 1.834 1.00 0.00 H new ATOM 0 HA ILE A 30 5.490 1.918 0.393 1.00 0.00 H new ATOM 0 HB ILE A 30 7.885 1.283 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.560 4.210 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.242 3.315 2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.785 2.373 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.124 1.777 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.419 3.512 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.661 3.376 1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.054 1.706 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.377 2.615 0.406 1.00 0.00 H new ATOM 475 N ALA A 31 6.043 0.674 2.647 1.00 0.00 N ATOM 476 CA ALA A 31 6.123 -0.001 3.938 1.00 0.00 C ATOM 477 C ALA A 31 7.556 -0.513 3.998 1.00 0.00 C ATOM 478 O ALA A 31 8.109 -0.882 2.966 1.00 0.00 O ATOM 479 CB ALA A 31 5.090 -1.128 4.014 1.00 0.00 C ATOM 0 H ALA A 31 6.104 0.033 1.856 1.00 0.00 H new ATOM 0 HA ALA A 31 5.898 0.648 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.162 -1.622 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.089 -0.713 3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.282 -1.852 3.222 1.00 0.00 H new ATOM 485 N VAL A 32 8.189 -0.510 5.162 1.00 0.00 N ATOM 486 CA VAL A 32 9.620 -0.742 5.276 1.00 0.00 C ATOM 487 C VAL A 32 9.940 -1.676 6.459 1.00 0.00 C ATOM 488 O VAL A 32 9.367 -1.511 7.541 1.00 0.00 O ATOM 489 CB VAL A 32 10.279 0.650 5.437 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.707 0.636 4.926 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.568 1.836 4.743 1.00 0.00 C ATOM 0 H VAL A 32 7.724 -0.346 6.055 1.00 0.00 H new ATOM 0 HA VAL A 32 10.011 -1.246 4.392 1.00 0.00 H new ATOM 0 HB VAL A 32 10.211 0.821 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.148 1.625 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.288 -0.094 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.713 0.366 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.125 2.754 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.519 1.653 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.558 1.938 5.140 1.00 0.00 H new ATOM 501 N THR A 33 10.867 -2.624 6.269 1.00 0.00 N ATOM 502 CA THR A 33 11.331 -3.578 7.295 1.00 0.00 C ATOM 503 C THR A 33 12.841 -3.867 7.100 1.00 0.00 C ATOM 504 O THR A 33 13.395 -3.550 6.044 1.00 0.00 O ATOM 505 CB THR A 33 10.463 -4.855 7.220 1.00 0.00 C ATOM 506 OG1 THR A 33 9.083 -4.557 7.048 1.00 0.00 O ATOM 507 CG2 THR A 33 10.588 -5.799 8.422 1.00 0.00 C ATOM 0 H THR A 33 11.332 -2.755 5.370 1.00 0.00 H new ATOM 0 HA THR A 33 11.218 -3.157 8.294 1.00 0.00 H new ATOM 0 HB THR A 33 10.864 -5.370 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.555 -5.374 7.163 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.941 -6.664 8.274 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.622 -6.131 8.518 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.290 -5.274 9.330 1.00 0.00 H new ATOM 515 N SER A 34 13.526 -4.483 8.070 1.00 0.00 N ATOM 516 CA SER A 34 14.925 -4.917 7.965 1.00 0.00 C ATOM 517 C SER A 34 15.054 -6.321 8.558 1.00 0.00 C ATOM 518 O SER A 34 14.179 -6.752 9.310 1.00 0.00 O ATOM 519 CB SER A 34 15.886 -3.905 8.610 1.00 0.00 C ATOM 520 OG SER A 34 15.440 -3.375 9.849 1.00 0.00 O ATOM 0 H SER A 34 13.111 -4.700 8.976 1.00 0.00 H new ATOM 0 HA SER A 34 15.216 -4.960 6.915 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.852 -4.387 8.762 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.047 -3.082 7.914 1.00 0.00 H new ATOM 0 HG SER A 34 14.505 -3.094 9.767 1.00 0.00 H new ATOM 526 N CYS A 35 16.125 -7.049 8.245 1.00 0.00 N ATOM 527 CA CYS A 35 16.339 -8.412 8.722 1.00 0.00 C ATOM 528 C CYS A 35 17.821 -8.755 8.633 1.00 0.00 C ATOM 529 O CYS A 35 18.622 -7.970 8.120 1.00 0.00 O ATOM 530 CB CYS A 35 15.508 -9.364 7.846 1.00 0.00 C ATOM 531 SG CYS A 35 15.984 -9.279 6.100 1.00 0.00 S ATOM 0 H CYS A 35 16.876 -6.704 7.647 1.00 0.00 H new ATOM 0 HA CYS A 35 16.028 -8.509 9.762 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.631 -10.386 8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.451 -9.117 7.945 1.00 0.00 H new ATOM 0 HG CYS A 35 15.586 -10.355 5.489 1.00 0.00 H new ATOM 537 N GLY A 36 18.184 -9.947 9.108 1.00 0.00 N ATOM 538 CA GLY A 36 19.584 -10.340 9.141 1.00 0.00 C ATOM 539 C GLY A 36 20.287 -9.609 10.278 1.00 0.00 C ATOM 540 O GLY A 36 21.405 -9.123 10.120 1.00 0.00 O ATOM 0 H GLY A 36 17.534 -10.645 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 36 19.668 -11.418 9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.062 -10.103 8.191 1.00 0.00 H new ATOM 544 N LEU A 37 19.599 -9.457 11.414 1.00 0.00 N ATOM 545 CA LEU A 37 20.215 -8.998 12.636 1.00 0.00 C ATOM 546 C LEU A 37 21.237 -10.100 12.944 1.00 0.00 C ATOM 547 O LEU A 37 20.920 -11.280 12.764 1.00 0.00 O ATOM 548 CB LEU A 37 19.128 -8.902 13.711 1.00 0.00 C ATOM 549 CG LEU A 37 18.200 -7.676 13.670 1.00 0.00 C ATOM 550 CD1 LEU A 37 18.879 -6.311 13.749 1.00 0.00 C ATOM 551 CD2 LEU A 37 17.199 -7.633 12.510 1.00 0.00 C ATOM 0 H LEU A 37 18.601 -9.652 11.499 1.00 0.00 H new ATOM 0 HA LEU A 37 20.688 -8.018 12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.508 -9.796 13.644 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.615 -8.924 14.686 1.00 0.00 H new ATOM 0 HG LEU A 37 17.658 -7.848 14.600 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.124 -5.526 13.711 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.435 -6.235 14.683 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.564 -6.196 12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.598 -6.727 12.582 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.739 -7.637 11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.547 -8.505 12.559 1.00 0.00 H new ATOM 563 N GLU A 38 22.436 -9.750 13.407 1.00 0.00 N ATOM 564 CA GLU A 38 23.544 -10.689 13.625 1.00 0.00 C ATOM 565 C GLU A 38 23.158 -11.870 14.533 1.00 0.00 C ATOM 566 O GLU A 38 23.798 -12.922 14.475 1.00 0.00 O ATOM 567 CB GLU A 38 24.711 -9.919 14.264 1.00 0.00 C ATOM 568 CG GLU A 38 26.058 -10.647 14.144 1.00 0.00 C ATOM 569 CD GLU A 38 27.228 -9.726 14.532 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.394 -9.425 15.738 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.996 -9.302 13.633 1.00 0.00 O ATOM 0 H GLU A 38 22.673 -8.787 13.647 1.00 0.00 H new ATOM 0 HA GLU A 38 23.822 -11.109 12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.792 -8.940 13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.491 -9.748 15.318 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.057 -11.527 14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.193 -10.999 13.121 1.00 0.00 H new ATOM 578 N SER A 39 22.130 -11.644 15.362 1.00 0.00 N ATOM 579 CA SER A 39 21.580 -12.407 16.494 1.00 0.00 C ATOM 580 C SER A 39 21.417 -11.515 17.721 1.00 0.00 C ATOM 581 O SER A 39 20.519 -11.680 18.553 1.00 0.00 O ATOM 582 CB SER A 39 22.315 -13.718 16.824 1.00 0.00 C ATOM 583 OG SER A 39 23.668 -13.523 17.211 1.00 0.00 O ATOM 0 H SER A 39 21.583 -10.793 15.234 1.00 0.00 H new ATOM 0 HA SER A 39 20.596 -12.739 16.164 1.00 0.00 H new ATOM 0 HB2 SER A 39 21.785 -14.231 17.627 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.284 -14.372 15.953 1.00 0.00 H new ATOM 0 HG SER A 39 24.211 -13.331 16.418 1.00 0.00 H new ATOM 589 N SER A 40 22.274 -10.510 17.758 1.00 0.00 N ATOM 590 CA SER A 40 22.220 -9.391 18.684 1.00 0.00 C ATOM 591 C SER A 40 21.053 -8.507 18.270 1.00 0.00 C ATOM 592 O SER A 40 20.810 -8.290 17.079 1.00 0.00 O ATOM 593 CB SER A 40 23.516 -8.578 18.636 1.00 0.00 C ATOM 594 OG SER A 40 24.642 -9.417 18.875 1.00 0.00 O ATOM 0 H SER A 40 23.063 -10.448 17.114 1.00 0.00 H new ATOM 0 HA SER A 40 22.094 -9.761 19.701 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.614 -8.097 17.663 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.482 -7.784 19.382 1.00 0.00 H new ATOM 0 HG SER A 40 25.462 -8.882 18.839 1.00 0.00 H new ATOM 600 N ARG A 41 20.336 -7.981 19.256 1.00 0.00 N ATOM 601 CA ARG A 41 19.259 -7.039 19.010 1.00 0.00 C ATOM 602 C ARG A 41 19.923 -5.674 18.878 1.00 0.00 C ATOM 603 O ARG A 41 20.447 -5.158 19.866 1.00 0.00 O ATOM 604 CB ARG A 41 18.243 -7.098 20.160 1.00 0.00 C ATOM 605 CG ARG A 41 17.291 -8.300 20.048 1.00 0.00 C ATOM 606 CD ARG A 41 17.912 -9.673 20.339 1.00 0.00 C ATOM 607 NE ARG A 41 18.419 -9.780 21.721 1.00 0.00 N ATOM 608 CZ ARG A 41 19.287 -10.696 22.180 1.00 0.00 C ATOM 609 NH1 ARG A 41 19.878 -11.563 21.360 1.00 0.00 N ATOM 610 NH2 ARG A 41 19.575 -10.731 23.478 1.00 0.00 N ATOM 0 H ARG A 41 20.486 -8.196 20.242 1.00 0.00 H new ATOM 0 HA ARG A 41 18.697 -7.266 18.104 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.777 -7.149 21.109 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.660 -6.177 20.172 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.459 -8.146 20.735 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.874 -8.317 19.041 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.167 -10.450 20.167 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.729 -9.855 19.640 1.00 0.00 H new ATOM 0 HE ARG A 41 18.077 -9.092 22.392 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.675 -11.540 20.361 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.534 -12.250 21.731 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.138 -10.066 24.116 1.00 0.00 H new ATOM 0 HH22 ARG A 41 20.233 -11.423 23.836 1.00 0.00 H new ATOM 624 N VAL A 42 19.878 -5.121 17.662 1.00 0.00 N ATOM 625 CA VAL A 42 20.421 -3.845 17.256 1.00 0.00 C ATOM 626 C VAL A 42 21.856 -3.585 17.734 1.00 0.00 C ATOM 627 O VAL A 42 22.588 -4.506 18.105 1.00 0.00 O ATOM 628 CB VAL A 42 19.370 -2.760 17.582 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.941 -3.139 17.143 1.00 0.00 C ATOM 630 CG2 VAL A 42 19.324 -2.282 19.047 1.00 0.00 C ATOM 0 H VAL A 42 19.423 -5.600 16.885 1.00 0.00 H new ATOM 0 HA VAL A 42 20.583 -3.829 16.178 1.00 0.00 H new ATOM 0 HB VAL A 42 19.733 -1.923 16.985 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.255 -2.333 17.402 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.922 -3.299 16.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.635 -4.054 17.651 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.551 -1.522 19.158 1.00 0.00 H new ATOM 0 HG22 VAL A 42 19.099 -3.126 19.698 1.00 0.00 H new ATOM 0 HG23 VAL A 42 20.290 -1.859 19.322 1.00 0.00 H new ATOM 640 N HIS A 43 22.286 -2.327 17.615 1.00 0.00 N ATOM 641 CA HIS A 43 23.619 -1.878 17.969 1.00 0.00 C ATOM 642 C HIS A 43 23.493 -0.419 18.420 1.00 0.00 C ATOM 643 O HIS A 43 23.097 0.418 17.607 1.00 0.00 O ATOM 644 CB HIS A 43 24.504 -2.055 16.732 1.00 0.00 C ATOM 645 CG HIS A 43 25.947 -1.704 16.994 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.775 -2.291 17.928 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.673 -0.724 16.373 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.973 -1.687 17.858 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.962 -0.724 16.921 1.00 0.00 N ATOM 0 H HIS A 43 21.693 -1.577 17.259 1.00 0.00 H new ATOM 0 HA HIS A 43 24.073 -2.444 18.782 1.00 0.00 H new ATOM 0 HB2 HIS A 43 24.442 -3.088 16.391 1.00 0.00 H new ATOM 0 HB3 HIS A 43 24.123 -1.429 15.925 1.00 0.00 H new ATOM 0 HD2 HIS A 43 26.314 -0.065 15.596 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.826 -1.940 18.470 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.737 -0.115 16.661 1.00 0.00 H new ATOM 657 N PRO A 44 23.789 -0.076 19.686 1.00 0.00 N ATOM 658 CA PRO A 44 23.482 1.239 20.248 1.00 0.00 C ATOM 659 C PRO A 44 24.273 2.355 19.569 1.00 0.00 C ATOM 660 O PRO A 44 23.765 3.469 19.463 1.00 0.00 O ATOM 661 CB PRO A 44 23.842 1.140 21.734 1.00 0.00 C ATOM 662 CG PRO A 44 24.986 0.132 21.700 1.00 0.00 C ATOM 663 CD PRO A 44 24.456 -0.886 20.690 1.00 0.00 C ATOM 0 HA PRO A 44 22.433 1.493 20.094 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.153 2.100 22.146 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.004 0.790 22.337 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.923 0.584 21.375 1.00 0.00 H new ATOM 0 HG3 PRO A 44 25.170 -0.315 22.677 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.264 -1.474 20.255 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.766 -1.589 21.157 1.00 0.00 H new ATOM 671 N THR A 45 25.478 2.071 19.057 1.00 0.00 N ATOM 672 CA THR A 45 26.263 3.095 18.386 1.00 0.00 C ATOM 673 C THR A 45 25.520 3.549 17.130 1.00 0.00 C ATOM 674 O THR A 45 25.479 4.741 16.840 1.00 0.00 O ATOM 675 CB THR A 45 27.679 2.582 18.057 1.00 0.00 C ATOM 676 OG1 THR A 45 28.219 1.923 19.194 1.00 0.00 O ATOM 677 CG2 THR A 45 28.607 3.732 17.630 1.00 0.00 C ATOM 0 H THR A 45 25.919 1.152 19.097 1.00 0.00 H new ATOM 0 HA THR A 45 26.387 3.951 19.050 1.00 0.00 H new ATOM 0 HB THR A 45 27.606 1.884 17.223 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.119 1.595 18.985 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.597 3.336 17.405 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.200 4.217 16.743 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.682 4.459 18.439 1.00 0.00 H new ATOM 685 N ALA A 46 24.857 2.620 16.423 1.00 0.00 N ATOM 686 CA ALA A 46 24.065 2.969 15.257 1.00 0.00 C ATOM 687 C ALA A 46 22.883 3.822 15.692 1.00 0.00 C ATOM 688 O ALA A 46 22.623 4.838 15.071 1.00 0.00 O ATOM 689 CB ALA A 46 23.630 1.714 14.491 1.00 0.00 C ATOM 0 H ALA A 46 24.860 1.625 16.647 1.00 0.00 H new ATOM 0 HA ALA A 46 24.670 3.554 14.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 23.038 2.004 13.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.512 1.165 14.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.030 1.079 15.143 1.00 0.00 H new ATOM 695 N ILE A 47 22.218 3.484 16.794 1.00 0.00 N ATOM 696 CA ILE A 47 21.095 4.282 17.287 1.00 0.00 C ATOM 697 C ILE A 47 21.571 5.708 17.561 1.00 0.00 C ATOM 698 O ILE A 47 20.943 6.639 17.067 1.00 0.00 O ATOM 699 CB ILE A 47 20.444 3.623 18.516 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.469 2.495 18.139 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.657 4.615 19.396 1.00 0.00 C ATOM 702 CD1 ILE A 47 20.058 1.211 17.569 1.00 0.00 C ATOM 0 H ILE A 47 22.435 2.665 17.362 1.00 0.00 H new ATOM 0 HA ILE A 47 20.316 4.330 16.526 1.00 0.00 H new ATOM 0 HB ILE A 47 21.293 3.225 19.073 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.897 2.235 19.029 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.762 2.892 17.410 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.224 4.085 20.244 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.330 5.392 19.759 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.860 5.070 18.808 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.254 0.508 17.350 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.603 1.436 16.652 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.739 0.769 18.296 1.00 0.00 H new ATOM 714 N ALA A 48 22.687 5.898 18.268 1.00 0.00 N ATOM 715 CA ALA A 48 23.196 7.237 18.538 1.00 0.00 C ATOM 716 C ALA A 48 23.529 7.968 17.239 1.00 0.00 C ATOM 717 O ALA A 48 23.195 9.136 17.063 1.00 0.00 O ATOM 718 CB ALA A 48 24.432 7.172 19.430 1.00 0.00 C ATOM 0 H ALA A 48 23.250 5.144 18.660 1.00 0.00 H new ATOM 0 HA ALA A 48 22.415 7.792 19.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.797 8.181 19.620 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.174 6.695 20.376 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.210 6.593 18.932 1.00 0.00 H new ATOM 724 N MET A 49 24.157 7.259 16.306 1.00 0.00 N ATOM 725 CA MET A 49 24.511 7.776 14.994 1.00 0.00 C ATOM 726 C MET A 49 23.279 8.116 14.159 1.00 0.00 C ATOM 727 O MET A 49 23.395 8.921 13.238 1.00 0.00 O ATOM 728 CB MET A 49 25.401 6.749 14.287 1.00 0.00 C ATOM 729 CG MET A 49 26.796 6.699 14.895 1.00 0.00 C ATOM 730 SD MET A 49 27.878 8.002 14.270 1.00 0.00 S ATOM 731 CE MET A 49 27.941 9.002 15.763 1.00 0.00 C ATOM 0 H MET A 49 24.439 6.289 16.447 1.00 0.00 H new ATOM 0 HA MET A 49 25.057 8.711 15.117 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.941 5.763 14.351 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.474 6.998 13.228 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.718 6.786 15.979 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.245 5.728 14.684 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.679 9.795 15.639 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.961 9.443 15.947 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.221 8.375 16.609 1.00 0.00 H new ATOM 741 N MET A 50 22.112 7.553 14.461 1.00 0.00 N ATOM 742 CA MET A 50 20.862 7.914 13.801 1.00 0.00 C ATOM 743 C MET A 50 20.163 9.027 14.572 1.00 0.00 C ATOM 744 O MET A 50 19.518 9.881 13.971 1.00 0.00 O ATOM 745 CB MET A 50 19.977 6.673 13.638 1.00 0.00 C ATOM 746 CG MET A 50 20.619 5.602 12.755 1.00 0.00 C ATOM 747 SD MET A 50 21.869 6.177 11.562 1.00 0.00 S ATOM 748 CE MET A 50 23.230 5.057 11.970 1.00 0.00 C ATOM 0 H MET A 50 22.007 6.831 15.173 1.00 0.00 H new ATOM 0 HA MET A 50 21.072 8.297 12.802 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.767 6.250 14.620 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.020 6.968 13.207 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.082 4.858 13.403 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.828 5.095 12.203 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.022 5.162 11.229 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.621 5.304 12.957 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.868 4.029 11.971 1.00 0.00 H new ATOM 758 N GLU A 51 20.362 9.096 15.880 1.00 0.00 N ATOM 759 CA GLU A 51 19.864 10.167 16.717 1.00 0.00 C ATOM 760 C GLU A 51 20.533 11.498 16.342 1.00 0.00 C ATOM 761 O GLU A 51 19.884 12.543 16.411 1.00 0.00 O ATOM 762 CB GLU A 51 20.065 9.761 18.189 1.00 0.00 C ATOM 763 CG GLU A 51 19.357 10.716 19.159 1.00 0.00 C ATOM 764 CD GLU A 51 19.497 10.237 20.615 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.535 10.531 21.255 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.564 9.579 21.137 1.00 0.00 O ATOM 0 H GLU A 51 20.887 8.390 16.397 1.00 0.00 H new ATOM 0 HA GLU A 51 18.797 10.328 16.561 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.688 8.749 18.339 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.131 9.741 18.416 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.778 11.716 19.061 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.301 10.788 18.897 1.00 0.00 H new ATOM 773 N GLU A 52 21.777 11.456 15.842 1.00 0.00 N ATOM 774 CA GLU A 52 22.464 12.608 15.256 1.00 0.00 C ATOM 775 C GLU A 52 21.673 13.238 14.099 1.00 0.00 C ATOM 776 O GLU A 52 21.840 14.428 13.819 1.00 0.00 O ATOM 777 CB GLU A 52 23.849 12.230 14.709 1.00 0.00 C ATOM 778 CG GLU A 52 24.918 11.888 15.754 1.00 0.00 C ATOM 779 CD GLU A 52 26.337 12.017 15.171 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.552 11.712 13.972 1.00 0.00 O ATOM 781 OE2 GLU A 52 27.253 12.418 15.923 1.00 0.00 O ATOM 0 H GLU A 52 22.340 10.605 15.835 1.00 0.00 H new ATOM 0 HA GLU A 52 22.559 13.325 16.071 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.733 11.374 14.044 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.215 13.058 14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.814 12.551 16.613 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.763 10.872 16.116 1.00 0.00 H new ATOM 788 N VAL A 53 20.820 12.458 13.429 1.00 0.00 N ATOM 789 CA VAL A 53 20.096 12.851 12.229 1.00 0.00 C ATOM 790 C VAL A 53 18.575 12.727 12.435 1.00 0.00 C ATOM 791 O VAL A 53 17.805 12.842 11.478 1.00 0.00 O ATOM 792 CB VAL A 53 20.652 12.071 11.016 1.00 0.00 C ATOM 793 CG1 VAL A 53 22.065 12.551 10.653 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.709 10.543 11.177 1.00 0.00 C ATOM 0 H VAL A 53 20.611 11.504 13.722 1.00 0.00 H new ATOM 0 HA VAL A 53 20.257 13.907 12.015 1.00 0.00 H new ATOM 0 HB VAL A 53 19.931 12.284 10.227 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.432 11.986 9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 53 22.036 13.611 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.731 12.397 11.502 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.114 10.096 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.349 10.290 12.023 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.705 10.158 11.354 1.00 0.00 H new ATOM 804 N GLY A 54 18.126 12.553 13.686 1.00 0.00 N ATOM 805 CA GLY A 54 16.712 12.528 14.037 1.00 0.00 C ATOM 806 C GLY A 54 16.002 11.283 13.505 1.00 0.00 C ATOM 807 O GLY A 54 14.848 11.380 13.080 1.00 0.00 O ATOM 0 H GLY A 54 18.746 12.425 14.486 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.609 12.566 15.121 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.226 13.418 13.639 1.00 0.00 H new ATOM 811 N ILE A 55 16.677 10.129 13.517 1.00 0.00 N ATOM 812 CA ILE A 55 16.145 8.836 13.105 1.00 0.00 C ATOM 813 C ILE A 55 16.277 7.890 14.311 1.00 0.00 C ATOM 814 O ILE A 55 17.151 8.064 15.161 1.00 0.00 O ATOM 815 CB ILE A 55 16.805 8.337 11.793 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.571 9.409 10.708 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.238 6.963 11.358 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.967 8.945 9.317 1.00 0.00 C ATOM 0 H ILE A 55 17.647 10.073 13.827 1.00 0.00 H new ATOM 0 HA ILE A 55 15.090 8.896 12.839 1.00 0.00 H new ATOM 0 HB ILE A 55 17.874 8.191 11.950 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.518 9.690 10.705 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.139 10.304 10.961 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.723 6.645 10.435 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.427 6.227 12.140 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.164 7.049 11.192 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.778 9.744 8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.027 8.691 9.306 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.380 8.067 9.045 1.00 0.00 H new ATOM 830 N ASP A 56 15.415 6.876 14.376 1.00 0.00 N ATOM 831 CA ASP A 56 15.355 5.891 15.455 1.00 0.00 C ATOM 832 C ASP A 56 15.347 4.524 14.795 1.00 0.00 C ATOM 833 O ASP A 56 14.540 4.309 13.891 1.00 0.00 O ATOM 834 CB ASP A 56 14.081 6.100 16.282 1.00 0.00 C ATOM 835 CG ASP A 56 13.940 5.044 17.395 1.00 0.00 C ATOM 836 OD1 ASP A 56 13.621 3.870 17.091 1.00 0.00 O ATOM 837 OD2 ASP A 56 14.118 5.407 18.581 1.00 0.00 O ATOM 0 H ASP A 56 14.714 6.712 13.653 1.00 0.00 H new ATOM 0 HA ASP A 56 16.204 5.988 16.131 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.095 7.096 16.726 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.211 6.055 15.627 1.00 0.00 H new ATOM 842 N ILE A 57 16.242 3.617 15.194 1.00 0.00 N ATOM 843 CA ILE A 57 16.316 2.266 14.642 1.00 0.00 C ATOM 844 C ILE A 57 16.403 1.205 15.739 1.00 0.00 C ATOM 845 O ILE A 57 16.639 0.043 15.440 1.00 0.00 O ATOM 846 CB ILE A 57 17.415 2.181 13.551 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.854 2.382 14.075 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.153 3.192 12.416 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.917 2.153 12.991 1.00 0.00 C ATOM 0 H ILE A 57 16.940 3.803 15.914 1.00 0.00 H new ATOM 0 HA ILE A 57 15.382 2.036 14.130 1.00 0.00 H new ATOM 0 HB ILE A 57 17.350 1.159 13.178 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.955 3.393 14.469 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.033 1.698 14.904 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.940 3.109 11.666 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.188 2.980 11.955 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.145 4.203 12.824 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.909 2.308 13.416 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.839 1.133 12.614 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.759 2.855 12.172 1.00 0.00 H new ATOM 861 N SER A 58 16.207 1.569 17.003 1.00 0.00 N ATOM 862 CA SER A 58 16.268 0.681 18.154 1.00 0.00 C ATOM 863 C SER A 58 15.034 -0.216 18.266 1.00 0.00 C ATOM 864 O SER A 58 15.142 -1.362 18.704 1.00 0.00 O ATOM 865 CB SER A 58 16.429 1.515 19.435 1.00 0.00 C ATOM 866 OG SER A 58 16.501 2.915 19.173 1.00 0.00 O ATOM 0 H SER A 58 15.992 2.532 17.261 1.00 0.00 H new ATOM 0 HA SER A 58 17.129 0.026 18.020 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.589 1.317 20.101 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.332 1.200 19.958 1.00 0.00 H new ATOM 0 HG SER A 58 16.601 3.401 20.018 1.00 0.00 H new ATOM 872 N GLY A 59 13.869 0.279 17.836 1.00 0.00 N ATOM 873 CA GLY A 59 12.615 -0.472 17.871 1.00 0.00 C ATOM 874 C GLY A 59 12.482 -1.461 16.710 1.00 0.00 C ATOM 875 O GLY A 59 11.421 -2.067 16.546 1.00 0.00 O ATOM 0 H GLY A 59 13.772 1.219 17.452 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.548 -1.015 18.814 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.778 0.226 17.845 1.00 0.00 H new ATOM 879 N GLN A 60 13.518 -1.587 15.868 1.00 0.00 N ATOM 880 CA GLN A 60 13.522 -2.454 14.699 1.00 0.00 C ATOM 881 C GLN A 60 13.704 -3.931 15.083 1.00 0.00 C ATOM 882 O GLN A 60 13.664 -4.307 16.258 1.00 0.00 O ATOM 883 CB GLN A 60 14.529 -1.912 13.660 1.00 0.00 C ATOM 884 CG GLN A 60 13.917 -0.631 13.064 1.00 0.00 C ATOM 885 CD GLN A 60 14.740 0.051 11.984 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.673 1.269 11.861 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.533 -0.656 11.202 1.00 0.00 N ATOM 0 H GLN A 60 14.391 -1.075 15.991 1.00 0.00 H new ATOM 0 HA GLN A 60 12.546 -2.436 14.215 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.489 -1.698 14.129 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.713 -2.651 12.880 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.939 -0.876 12.650 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.751 0.081 13.873 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.584 -1.669 11.309 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.095 -0.190 10.490 1.00 0.00 H new ATOM 896 N THR A 61 13.812 -4.765 14.052 1.00 0.00 N ATOM 897 CA THR A 61 13.781 -6.215 14.069 1.00 0.00 C ATOM 898 C THR A 61 14.888 -6.879 14.905 1.00 0.00 C ATOM 899 O THR A 61 15.831 -6.228 15.365 1.00 0.00 O ATOM 900 CB THR A 61 13.679 -6.683 12.603 1.00 0.00 C ATOM 901 OG1 THR A 61 14.385 -5.789 11.763 1.00 0.00 O ATOM 902 CG2 THR A 61 12.224 -6.663 12.126 1.00 0.00 C ATOM 0 H THR A 61 13.934 -4.407 13.105 1.00 0.00 H new ATOM 0 HA THR A 61 12.902 -6.559 14.614 1.00 0.00 H new ATOM 0 HB THR A 61 14.089 -7.692 12.555 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.087 -5.906 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.176 -6.997 11.089 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.627 -7.329 12.750 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.831 -5.649 12.199 1.00 0.00 H new ATOM 910 N SER A 62 14.747 -8.204 15.071 1.00 0.00 N ATOM 911 CA SER A 62 15.528 -9.031 15.990 1.00 0.00 C ATOM 912 C SER A 62 15.796 -10.435 15.407 1.00 0.00 C ATOM 913 O SER A 62 16.075 -11.357 16.175 1.00 0.00 O ATOM 914 CB SER A 62 14.720 -9.158 17.297 1.00 0.00 C ATOM 915 OG SER A 62 14.364 -7.887 17.830 1.00 0.00 O ATOM 0 H SER A 62 14.059 -8.744 14.547 1.00 0.00 H new ATOM 0 HA SER A 62 16.497 -8.564 16.164 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.817 -9.738 17.110 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.306 -9.709 18.033 1.00 0.00 H new ATOM 0 HG SER A 62 13.852 -8.011 18.656 1.00 0.00 H new ATOM 921 N ASP A 63 15.725 -10.630 14.078 1.00 0.00 N ATOM 922 CA ASP A 63 15.719 -11.977 13.488 1.00 0.00 C ATOM 923 C ASP A 63 16.557 -12.118 12.208 1.00 0.00 C ATOM 924 O ASP A 63 16.839 -11.115 11.539 1.00 0.00 O ATOM 925 CB ASP A 63 14.261 -12.348 13.175 1.00 0.00 C ATOM 926 CG ASP A 63 13.450 -12.689 14.434 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.526 -13.849 14.909 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.719 -11.801 14.939 1.00 0.00 O ATOM 0 H ASP A 63 15.671 -9.874 13.396 1.00 0.00 H new ATOM 0 HA ASP A 63 16.177 -12.645 14.217 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.783 -11.518 12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.246 -13.201 12.496 1.00 0.00 H new ATOM 933 N PRO A 64 16.940 -13.359 11.838 1.00 0.00 N ATOM 934 CA PRO A 64 17.659 -13.676 10.604 1.00 0.00 C ATOM 935 C PRO A 64 16.735 -13.711 9.380 1.00 0.00 C ATOM 936 O PRO A 64 15.514 -13.820 9.512 1.00 0.00 O ATOM 937 CB PRO A 64 18.280 -15.058 10.851 1.00 0.00 C ATOM 938 CG PRO A 64 17.271 -15.731 11.780 1.00 0.00 C ATOM 939 CD PRO A 64 16.796 -14.570 12.646 1.00 0.00 C ATOM 0 HA PRO A 64 18.404 -12.912 10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.407 -15.615 9.922 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.264 -14.981 11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.450 -16.187 11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.731 -16.520 12.375 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.759 -14.712 12.949 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.388 -14.500 13.558 1.00 0.00 H new ATOM 947 N ILE A 65 17.332 -13.695 8.180 1.00 0.00 N ATOM 948 CA ILE A 65 16.639 -13.666 6.886 1.00 0.00 C ATOM 949 C ILE A 65 15.734 -14.879 6.696 1.00 0.00 C ATOM 950 O ILE A 65 14.668 -14.766 6.104 1.00 0.00 O ATOM 951 CB ILE A 65 17.680 -13.543 5.738 1.00 0.00 C ATOM 952 CG1 ILE A 65 16.988 -13.268 4.381 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.631 -14.761 5.656 1.00 0.00 C ATOM 954 CD1 ILE A 65 17.921 -13.276 3.161 1.00 0.00 C ATOM 0 H ILE A 65 18.347 -13.702 8.081 1.00 0.00 H new ATOM 0 HA ILE A 65 15.988 -12.792 6.864 1.00 0.00 H new ATOM 0 HB ILE A 65 18.307 -12.684 5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.210 -14.016 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.492 -12.299 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.335 -14.618 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.180 -14.858 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.049 -15.666 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.343 -13.074 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.685 -12.508 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.399 -14.252 3.075 1.00 0.00 H new ATOM 966 N GLU A 66 16.142 -16.033 7.216 1.00 0.00 N ATOM 967 CA GLU A 66 15.490 -17.300 6.922 1.00 0.00 C ATOM 968 C GLU A 66 14.089 -17.397 7.526 1.00 0.00 C ATOM 969 O GLU A 66 13.265 -18.171 7.030 1.00 0.00 O ATOM 970 CB GLU A 66 16.403 -18.440 7.399 1.00 0.00 C ATOM 971 CG GLU A 66 17.544 -18.711 6.409 1.00 0.00 C ATOM 972 CD GLU A 66 18.408 -19.905 6.861 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.384 -19.699 7.623 1.00 0.00 O ATOM 974 OE2 GLU A 66 18.124 -21.058 6.449 1.00 0.00 O ATOM 0 H GLU A 66 16.935 -16.113 7.853 1.00 0.00 H new ATOM 0 HA GLU A 66 15.341 -17.378 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.820 -18.187 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.813 -19.347 7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.130 -18.912 5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.168 -17.822 6.318 1.00 0.00 H new ATOM 981 N ASN A 67 13.790 -16.599 8.561 1.00 0.00 N ATOM 982 CA ASN A 67 12.443 -16.500 9.100 1.00 0.00 C ATOM 983 C ASN A 67 11.541 -15.582 8.248 1.00 0.00 C ATOM 984 O ASN A 67 10.318 -15.643 8.406 1.00 0.00 O ATOM 985 CB ASN A 67 12.454 -16.097 10.590 1.00 0.00 C ATOM 986 CG ASN A 67 11.977 -14.670 10.825 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.861 -14.427 11.277 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.810 -13.700 10.506 1.00 0.00 N ATOM 0 H ASN A 67 14.474 -16.012 9.038 1.00 0.00 H new ATOM 0 HA ASN A 67 12.002 -17.495 9.046 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.819 -16.783 11.151 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.465 -16.205 10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.532 -12.727 10.633 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.733 -13.922 10.132 1.00 0.00 H new ATOM 995 N PHE A 68 12.107 -14.741 7.366 1.00 0.00 N ATOM 996 CA PHE A 68 11.347 -13.811 6.538 1.00 0.00 C ATOM 997 C PHE A 68 10.948 -14.469 5.208 1.00 0.00 C ATOM 998 O PHE A 68 11.383 -15.575 4.875 1.00 0.00 O ATOM 999 CB PHE A 68 12.119 -12.492 6.329 1.00 0.00 C ATOM 1000 CG PHE A 68 12.187 -11.617 7.567 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.121 -10.753 7.892 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.308 -11.672 8.409 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.186 -9.952 9.046 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.368 -10.882 9.575 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.305 -10.020 9.892 1.00 0.00 C ATOM 0 H PHE A 68 13.114 -14.693 7.212 1.00 0.00 H new ATOM 0 HA PHE A 68 10.426 -13.556 7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.133 -12.724 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.646 -11.929 5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.252 -10.706 7.253 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.132 -12.325 8.162 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.373 -9.282 9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.230 -10.939 10.223 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.348 -9.412 10.783 1.00 0.00 H new ATOM 1015 N ASN A 69 10.095 -13.774 4.445 1.00 0.00 N ATOM 1016 CA ASN A 69 9.486 -14.256 3.208 1.00 0.00 C ATOM 1017 C ASN A 69 9.291 -13.078 2.262 1.00 0.00 C ATOM 1018 O ASN A 69 8.247 -12.425 2.295 1.00 0.00 O ATOM 1019 CB ASN A 69 8.187 -15.052 3.471 1.00 0.00 C ATOM 1020 CG ASN A 69 7.285 -14.515 4.584 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.050 -15.194 5.582 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.770 -13.302 4.463 1.00 0.00 N ATOM 0 H ASN A 69 9.802 -12.827 4.685 1.00 0.00 H new ATOM 0 HA ASN A 69 10.155 -14.970 2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.610 -15.084 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.457 -16.080 3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.174 -12.925 5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.969 -12.744 3.633 1.00 0.00 H new ATOM 1029 N ALA A 70 10.306 -12.772 1.440 1.00 0.00 N ATOM 1030 CA ALA A 70 10.256 -11.701 0.455 1.00 0.00 C ATOM 1031 C ALA A 70 9.009 -11.750 -0.422 1.00 0.00 C ATOM 1032 O ALA A 70 8.552 -10.701 -0.859 1.00 0.00 O ATOM 1033 CB ALA A 70 11.467 -11.772 -0.462 1.00 0.00 C ATOM 0 H ALA A 70 11.194 -13.274 1.447 1.00 0.00 H new ATOM 0 HA ALA A 70 10.241 -10.773 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.417 -10.966 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.377 -11.670 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.476 -12.731 -0.979 1.00 0.00 H new ATOM 1039 N ASP A 71 8.457 -12.937 -0.666 1.00 0.00 N ATOM 1040 CA ASP A 71 7.221 -13.131 -1.426 1.00 0.00 C ATOM 1041 C ASP A 71 6.099 -12.203 -0.946 1.00 0.00 C ATOM 1042 O ASP A 71 5.290 -11.738 -1.754 1.00 0.00 O ATOM 1043 CB ASP A 71 6.732 -14.580 -1.308 1.00 0.00 C ATOM 1044 CG ASP A 71 5.399 -14.770 -2.055 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.408 -14.794 -3.308 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.347 -14.942 -1.392 1.00 0.00 O ATOM 0 H ASP A 71 8.865 -13.811 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 71 7.456 -12.895 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.483 -15.256 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.606 -14.842 -0.257 1.00 0.00 H new ATOM 1051 N ASP A 72 6.063 -11.913 0.359 1.00 0.00 N ATOM 1052 CA ASP A 72 5.048 -11.027 0.931 1.00 0.00 C ATOM 1053 C ASP A 72 5.274 -9.540 0.590 1.00 0.00 C ATOM 1054 O ASP A 72 4.325 -8.752 0.595 1.00 0.00 O ATOM 1055 CB ASP A 72 4.993 -11.207 2.449 1.00 0.00 C ATOM 1056 CG ASP A 72 3.871 -10.364 3.074 1.00 0.00 C ATOM 1057 OD1 ASP A 72 2.676 -10.682 2.855 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.182 -9.413 3.829 1.00 0.00 O ATOM 0 H ASP A 72 6.728 -12.281 1.039 1.00 0.00 H new ATOM 0 HA ASP A 72 4.097 -11.312 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.835 -12.259 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.950 -10.922 2.885 1.00 0.00 H new ATOM 1063 N TYR A 73 6.514 -9.159 0.269 1.00 0.00 N ATOM 1064 CA TYR A 73 6.991 -7.806 0.026 1.00 0.00 C ATOM 1065 C TYR A 73 7.063 -7.543 -1.488 1.00 0.00 C ATOM 1066 O TYR A 73 6.685 -8.409 -2.291 1.00 0.00 O ATOM 1067 CB TYR A 73 8.372 -7.572 0.699 1.00 0.00 C ATOM 1068 CG TYR A 73 8.433 -7.867 2.191 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.360 -9.195 2.644 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.550 -6.825 3.135 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.320 -9.495 4.013 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.497 -7.112 4.511 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.360 -8.446 4.959 1.00 0.00 C ATOM 1074 OH TYR A 73 8.284 -8.701 6.298 1.00 0.00 O ATOM 0 H TYR A 73 7.262 -9.845 0.166 1.00 0.00 H new ATOM 0 HA TYR A 73 6.288 -7.102 0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.113 -8.192 0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.663 -6.534 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.334 -10.000 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.680 -5.806 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.259 -10.522 4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.561 -6.308 5.230 1.00 0.00 H new ATOM 0 HH TYR A 73 8.329 -7.857 6.795 1.00 0.00 H new ATOM 1084 N ASP A 74 7.532 -6.351 -1.892 1.00 0.00 N ATOM 1085 CA ASP A 74 7.676 -6.016 -3.309 1.00 0.00 C ATOM 1086 C ASP A 74 9.104 -5.613 -3.677 1.00 0.00 C ATOM 1087 O ASP A 74 9.447 -5.659 -4.853 1.00 0.00 O ATOM 1088 CB ASP A 74 6.745 -4.850 -3.674 1.00 0.00 C ATOM 1089 CG ASP A 74 5.279 -5.093 -3.293 1.00 0.00 C ATOM 1090 OD1 ASP A 74 4.908 -4.740 -2.147 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.505 -5.602 -4.138 1.00 0.00 O ATOM 0 H ASP A 74 7.816 -5.607 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 74 7.415 -6.917 -3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.096 -3.946 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.808 -4.668 -4.747 1.00 0.00 H new ATOM 1096 N VAL A 75 9.955 -5.199 -2.742 1.00 0.00 N ATOM 1097 CA VAL A 75 11.249 -4.595 -3.044 1.00 0.00 C ATOM 1098 C VAL A 75 12.218 -5.105 -1.973 1.00 0.00 C ATOM 1099 O VAL A 75 11.909 -5.031 -0.782 1.00 0.00 O ATOM 1100 CB VAL A 75 11.040 -3.072 -3.069 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.264 -2.152 -2.948 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.179 -2.575 -4.238 1.00 0.00 C ATOM 0 H VAL A 75 9.763 -5.274 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 75 11.673 -4.860 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 75 10.511 -2.976 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.942 -1.111 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.771 -2.343 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.949 -2.348 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.080 -1.491 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.653 -2.848 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.191 -3.032 -4.183 1.00 0.00 H new ATOM 1112 N VAL A 76 13.389 -5.623 -2.344 1.00 0.00 N ATOM 1113 CA VAL A 76 14.337 -6.152 -1.381 1.00 0.00 C ATOM 1114 C VAL A 76 15.719 -5.648 -1.745 1.00 0.00 C ATOM 1115 O VAL A 76 16.101 -5.639 -2.916 1.00 0.00 O ATOM 1116 CB VAL A 76 14.266 -7.687 -1.314 1.00 0.00 C ATOM 1117 CG1 VAL A 76 12.878 -8.170 -0.860 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.651 -8.398 -2.617 1.00 0.00 C ATOM 0 H VAL A 76 13.699 -5.685 -3.314 1.00 0.00 H new ATOM 0 HA VAL A 76 14.089 -5.802 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 76 15.016 -7.960 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.865 -9.259 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.661 -7.772 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.123 -7.821 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.573 -9.477 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.978 -8.084 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.676 -8.139 -2.883 1.00 0.00 H new ATOM 1128 N ILE A 77 16.445 -5.214 -0.724 1.00 0.00 N ATOM 1129 CA ILE A 77 17.715 -4.548 -0.851 1.00 0.00 C ATOM 1130 C ILE A 77 18.633 -5.278 0.106 1.00 0.00 C ATOM 1131 O ILE A 77 18.560 -5.079 1.320 1.00 0.00 O ATOM 1132 CB ILE A 77 17.562 -3.063 -0.484 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.454 -2.325 -1.262 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.918 -2.374 -0.653 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.614 -2.317 -2.787 1.00 0.00 C ATOM 0 H ILE A 77 16.147 -5.324 0.245 1.00 0.00 H new ATOM 0 HA ILE A 77 18.112 -4.570 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 77 17.237 -3.018 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.495 -2.782 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.414 -1.293 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.825 -1.319 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.649 -2.844 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.247 -2.467 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.783 -1.773 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.553 -1.830 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.620 -3.342 -3.158 1.00 0.00 H new ATOM 1147 N SER A 78 19.461 -6.177 -0.402 1.00 0.00 N ATOM 1148 CA SER A 78 20.446 -6.787 0.458 1.00 0.00 C ATOM 1149 C SER A 78 21.645 -5.840 0.615 1.00 0.00 C ATOM 1150 O SER A 78 21.844 -4.898 -0.151 1.00 0.00 O ATOM 1151 CB SER A 78 20.690 -8.222 -0.021 1.00 0.00 C ATOM 1152 OG SER A 78 21.130 -8.314 -1.343 1.00 0.00 O ATOM 0 H SER A 78 19.469 -6.489 -1.373 1.00 0.00 H new ATOM 0 HA SER A 78 20.117 -6.919 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 78 21.428 -8.690 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.766 -8.791 0.084 1.00 0.00 H new ATOM 0 HG SER A 78 22.109 -8.355 -1.360 1.00 0.00 H new ATOM 1158 N LEU A 79 22.439 -6.031 1.657 1.00 0.00 N ATOM 1159 CA LEU A 79 23.728 -5.373 1.823 1.00 0.00 C ATOM 1160 C LEU A 79 24.621 -6.493 2.330 1.00 0.00 C ATOM 1161 O LEU A 79 25.217 -6.422 3.403 1.00 0.00 O ATOM 1162 CB LEU A 79 23.661 -4.116 2.720 1.00 0.00 C ATOM 1163 CG LEU A 79 23.128 -2.856 2.000 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.625 -2.610 2.172 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.853 -1.610 2.520 1.00 0.00 C ATOM 0 H LEU A 79 22.202 -6.659 2.425 1.00 0.00 H new ATOM 0 HA LEU A 79 24.120 -4.941 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.023 -4.328 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.658 -3.906 3.108 1.00 0.00 H new ATOM 0 HG LEU A 79 23.316 -3.039 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 79 21.340 -1.706 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.069 -3.459 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.395 -2.489 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 79 23.472 -0.727 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.682 -1.510 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.922 -1.706 2.331 1.00 0.00 H new ATOM 1177 N CYS A 80 24.616 -7.582 1.558 1.00 0.00 N ATOM 1178 CA CYS A 80 25.307 -8.834 1.820 1.00 0.00 C ATOM 1179 C CYS A 80 26.493 -8.955 0.854 1.00 0.00 C ATOM 1180 O CYS A 80 26.970 -10.057 0.592 1.00 0.00 O ATOM 1181 CB CYS A 80 24.303 -9.995 1.661 1.00 0.00 C ATOM 1182 SG CYS A 80 22.853 -9.753 2.738 1.00 0.00 S ATOM 0 H CYS A 80 24.096 -7.609 0.681 1.00 0.00 H new ATOM 0 HA CYS A 80 25.700 -8.867 2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 80 23.982 -10.063 0.622 1.00 0.00 H new ATOM 0 HB3 CYS A 80 24.790 -10.939 1.907 1.00 0.00 H new ATOM 0 HG CYS A 80 22.026 -10.743 2.581 1.00 0.00 H new ATOM 1188 N GLY A 81 26.929 -7.830 0.263 1.00 0.00 N ATOM 1189 CA GLY A 81 28.034 -7.819 -0.686 1.00 0.00 C ATOM 1190 C GLY A 81 27.678 -8.495 -2.006 1.00 0.00 C ATOM 1191 O GLY A 81 28.584 -8.918 -2.716 1.00 0.00 O ATOM 0 H GLY A 81 26.522 -6.911 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.333 -6.789 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.893 -8.323 -0.244 1.00 0.00 H new ATOM 1195 N CYS A 82 26.381 -8.597 -2.326 1.00 0.00 N ATOM 1196 CA CYS A 82 25.755 -9.199 -3.512 1.00 0.00 C ATOM 1197 C CYS A 82 26.136 -10.653 -3.855 1.00 0.00 C ATOM 1198 O CYS A 82 25.481 -11.256 -4.707 1.00 0.00 O ATOM 1199 CB CYS A 82 25.852 -8.241 -4.714 1.00 0.00 C ATOM 1200 SG CYS A 82 27.475 -8.264 -5.537 1.00 0.00 S ATOM 0 H CYS A 82 25.672 -8.222 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 82 24.709 -9.325 -3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.082 -8.504 -5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.639 -7.226 -4.377 1.00 0.00 H new ATOM 0 HG CYS A 82 28.398 -8.549 -4.668 1.00 0.00 H new ATOM 1206 N GLY A 83 27.132 -11.243 -3.185 1.00 0.00 N ATOM 1207 CA GLY A 83 27.546 -12.626 -3.389 1.00 0.00 C ATOM 1208 C GLY A 83 26.494 -13.616 -2.898 1.00 0.00 C ATOM 1209 O GLY A 83 26.398 -14.723 -3.429 1.00 0.00 O ATOM 0 H GLY A 83 27.680 -10.759 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.736 -12.795 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.485 -12.805 -2.864 1.00 0.00 H new ATOM 1213 N VAL A 84 25.692 -13.221 -1.901 1.00 0.00 N ATOM 1214 CA VAL A 84 24.584 -14.027 -1.410 1.00 0.00 C ATOM 1215 C VAL A 84 23.539 -14.140 -2.514 1.00 0.00 C ATOM 1216 O VAL A 84 22.905 -13.159 -2.907 1.00 0.00 O ATOM 1217 CB VAL A 84 23.996 -13.501 -0.091 1.00 0.00 C ATOM 1218 CG1 VAL A 84 22.965 -14.505 0.454 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.119 -13.337 0.944 1.00 0.00 C ATOM 0 H VAL A 84 25.799 -12.330 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 84 24.955 -15.022 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 84 23.516 -12.540 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.550 -14.129 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.163 -14.634 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.451 -15.464 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 84 24.701 -12.964 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.596 -14.301 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 84 25.858 -12.629 0.569 1.00 0.00 H new ATOM 1229 N ASN A 85 23.378 -15.366 -3.004 1.00 0.00 N ATOM 1230 CA ASN A 85 22.288 -15.739 -3.886 1.00 0.00 C ATOM 1231 C ASN A 85 21.078 -15.855 -2.957 1.00 0.00 C ATOM 1232 O ASN A 85 21.028 -16.778 -2.136 1.00 0.00 O ATOM 1233 CB ASN A 85 22.631 -17.062 -4.588 1.00 0.00 C ATOM 1234 CG ASN A 85 21.392 -17.749 -5.150 1.00 0.00 C ATOM 1235 OD1 ASN A 85 20.991 -17.516 -6.286 1.00 0.00 O ATOM 1236 ND2 ASN A 85 20.776 -18.609 -4.358 1.00 0.00 N ATOM 0 H ASN A 85 24.013 -16.136 -2.793 1.00 0.00 H new ATOM 0 HA ASN A 85 22.095 -15.023 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 85 23.337 -16.871 -5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.126 -17.729 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 85 19.944 -19.099 -4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 85 21.132 -18.783 -3.418 1.00 0.00 H new ATOM 1243 N LEU A 86 20.167 -14.884 -2.997 1.00 0.00 N ATOM 1244 CA LEU A 86 18.960 -14.927 -2.171 1.00 0.00 C ATOM 1245 C LEU A 86 18.005 -15.994 -2.750 1.00 0.00 C ATOM 1246 O LEU A 86 18.083 -16.261 -3.956 1.00 0.00 O ATOM 1247 CB LEU A 86 18.264 -13.551 -2.138 1.00 0.00 C ATOM 1248 CG LEU A 86 19.119 -12.344 -1.691 1.00 0.00 C ATOM 1249 CD1 LEU A 86 18.253 -11.085 -1.655 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.749 -12.528 -0.305 1.00 0.00 C ATOM 0 H LEU A 86 20.241 -14.059 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 86 19.233 -15.184 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.878 -13.342 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.404 -13.622 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 86 19.927 -12.256 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 86 18.859 -10.236 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.849 -10.893 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.433 -11.227 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.336 -11.645 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.962 -12.666 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.397 -13.404 -0.313 1.00 0.00 H new ATOM 1262 N PRO A 87 17.099 -16.598 -1.953 1.00 0.00 N ATOM 1263 CA PRO A 87 16.071 -17.509 -2.464 1.00 0.00 C ATOM 1264 C PRO A 87 15.211 -16.867 -3.565 1.00 0.00 C ATOM 1265 O PRO A 87 15.062 -15.646 -3.575 1.00 0.00 O ATOM 1266 CB PRO A 87 15.210 -17.902 -1.260 1.00 0.00 C ATOM 1267 CG PRO A 87 16.110 -17.630 -0.051 1.00 0.00 C ATOM 1268 CD PRO A 87 17.025 -16.493 -0.504 1.00 0.00 C ATOM 0 HA PRO A 87 16.537 -18.378 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.294 -17.312 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.913 -18.950 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.525 -17.344 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.683 -18.515 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.625 -15.525 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.014 -16.584 -0.054 1.00 0.00 H new ATOM 1276 N PRO A 88 14.540 -17.644 -4.432 1.00 0.00 N ATOM 1277 CA PRO A 88 13.904 -17.092 -5.624 1.00 0.00 C ATOM 1278 C PRO A 88 12.762 -16.098 -5.370 1.00 0.00 C ATOM 1279 O PRO A 88 12.516 -15.232 -6.209 1.00 0.00 O ATOM 1280 CB PRO A 88 13.464 -18.295 -6.467 1.00 0.00 C ATOM 1281 CG PRO A 88 13.391 -19.445 -5.463 1.00 0.00 C ATOM 1282 CD PRO A 88 14.479 -19.098 -4.449 1.00 0.00 C ATOM 0 HA PRO A 88 14.626 -16.467 -6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.499 -18.118 -6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.177 -18.506 -7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.409 -19.507 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 88 13.578 -20.407 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.237 -19.493 -3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.438 -19.528 -4.738 1.00 0.00 H new ATOM 1290 N GLU A 89 12.092 -16.139 -4.216 1.00 0.00 N ATOM 1291 CA GLU A 89 11.031 -15.188 -3.901 1.00 0.00 C ATOM 1292 C GLU A 89 11.576 -13.771 -3.706 1.00 0.00 C ATOM 1293 O GLU A 89 10.873 -12.781 -3.905 1.00 0.00 O ATOM 1294 CB GLU A 89 10.257 -15.654 -2.665 1.00 0.00 C ATOM 1295 CG GLU A 89 11.107 -15.934 -1.421 1.00 0.00 C ATOM 1296 CD GLU A 89 10.212 -16.348 -0.248 1.00 0.00 C ATOM 1297 OE1 GLU A 89 9.543 -15.457 0.321 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.188 -17.551 0.110 1.00 0.00 O ATOM 0 H GLU A 89 12.269 -16.826 -3.483 1.00 0.00 H new ATOM 0 HA GLU A 89 10.349 -15.152 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.516 -14.895 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.710 -16.561 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.827 -16.724 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.679 -15.045 -1.155 1.00 0.00 H new ATOM 1305 N TRP A 90 12.856 -13.671 -3.349 1.00 0.00 N ATOM 1306 CA TRP A 90 13.589 -12.423 -3.277 1.00 0.00 C ATOM 1307 C TRP A 90 13.902 -11.866 -4.672 1.00 0.00 C ATOM 1308 O TRP A 90 14.359 -10.735 -4.759 1.00 0.00 O ATOM 1309 CB TRP A 90 14.868 -12.621 -2.451 1.00 0.00 C ATOM 1310 CG TRP A 90 14.671 -12.987 -1.004 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.318 -14.195 -0.512 1.00 0.00 C ATOM 1312 CD2 TRP A 90 14.796 -12.129 0.165 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.184 -14.131 0.863 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.431 -12.863 1.330 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.111 -10.773 0.342 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.356 -12.266 2.595 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.076 -10.160 1.605 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.685 -10.907 2.732 1.00 0.00 C ATOM 0 H TRP A 90 13.420 -14.482 -3.096 1.00 0.00 H new ATOM 0 HA TRP A 90 12.962 -11.683 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.465 -13.401 -2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.452 -11.701 -2.496 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.163 -15.083 -1.107 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.934 -14.924 1.454 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.389 -10.183 -0.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.049 -12.843 3.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.348 -9.120 1.711 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.638 -10.435 3.702 1.00 0.00 H new ATOM 1329 N VAL A 91 13.640 -12.595 -5.762 1.00 0.00 N ATOM 1330 CA VAL A 91 13.999 -12.201 -7.115 1.00 0.00 C ATOM 1331 C VAL A 91 12.754 -11.734 -7.882 1.00 0.00 C ATOM 1332 O VAL A 91 12.853 -10.851 -8.733 1.00 0.00 O ATOM 1333 CB VAL A 91 14.747 -13.346 -7.811 1.00 0.00 C ATOM 1334 CG1 VAL A 91 15.232 -12.988 -9.222 1.00 0.00 C ATOM 1335 CG2 VAL A 91 15.948 -13.861 -6.991 1.00 0.00 C ATOM 0 H VAL A 91 13.161 -13.495 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 91 14.680 -11.350 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 91 14.002 -14.138 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.752 -13.842 -9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.377 -12.729 -9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.912 -12.138 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.438 -14.670 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.657 -13.048 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.599 -14.230 -6.026 1.00 0.00 H new ATOM 1345 N THR A 92 11.578 -12.281 -7.566 1.00 0.00 N ATOM 1346 CA THR A 92 10.324 -12.010 -8.277 1.00 0.00 C ATOM 1347 C THR A 92 9.743 -10.619 -7.958 1.00 0.00 C ATOM 1348 O THR A 92 8.840 -10.126 -8.640 1.00 0.00 O ATOM 1349 CB THR A 92 9.348 -13.148 -7.936 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.307 -13.346 -6.532 1.00 0.00 O ATOM 1351 CG2 THR A 92 9.850 -14.448 -8.574 1.00 0.00 C ATOM 0 H THR A 92 11.467 -12.938 -6.794 1.00 0.00 H new ATOM 0 HA THR A 92 10.508 -11.984 -9.351 1.00 0.00 H new ATOM 0 HB THR A 92 8.358 -12.885 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.682 -14.071 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.162 -15.259 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.905 -14.325 -9.656 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.840 -14.686 -8.185 1.00 0.00 H new ATOM 1359 N GLN A 93 10.287 -9.999 -6.914 1.00 0.00 N ATOM 1360 CA GLN A 93 10.133 -8.641 -6.464 1.00 0.00 C ATOM 1361 C GLN A 93 10.231 -7.624 -7.617 1.00 0.00 C ATOM 1362 O GLN A 93 10.896 -7.856 -8.630 1.00 0.00 O ATOM 1363 CB GLN A 93 11.291 -8.434 -5.473 1.00 0.00 C ATOM 1364 CG GLN A 93 11.347 -9.415 -4.298 1.00 0.00 C ATOM 1365 CD GLN A 93 10.093 -9.367 -3.452 1.00 0.00 C ATOM 1366 OE1 GLN A 93 9.841 -8.395 -2.752 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.296 -10.415 -3.494 1.00 0.00 N ATOM 0 H GLN A 93 10.920 -10.509 -6.298 1.00 0.00 H new ATOM 0 HA GLN A 93 9.150 -8.482 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.230 -8.500 -6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.226 -7.422 -5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.488 -10.427 -4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.212 -9.185 -3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.531 -11.211 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.444 -10.430 -2.934 1.00 0.00 H new ATOM 1376 N GLU A 94 9.608 -6.462 -7.426 1.00 0.00 N ATOM 1377 CA GLU A 94 9.715 -5.288 -8.263 1.00 0.00 C ATOM 1378 C GLU A 94 11.154 -4.760 -8.216 1.00 0.00 C ATOM 1379 O GLU A 94 11.694 -4.383 -9.259 1.00 0.00 O ATOM 1380 CB GLU A 94 8.667 -4.261 -7.783 1.00 0.00 C ATOM 1381 CG GLU A 94 9.046 -2.810 -8.059 1.00 0.00 C ATOM 1382 CD GLU A 94 7.852 -1.859 -7.857 1.00 0.00 C ATOM 1383 OE1 GLU A 94 7.556 -1.475 -6.699 1.00 0.00 O ATOM 1384 OE2 GLU A 94 7.208 -1.475 -8.864 1.00 0.00 O ATOM 0 H GLU A 94 8.981 -6.316 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 94 9.504 -5.512 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.715 -4.475 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.514 -4.388 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.861 -2.515 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.415 -2.719 -9.081 1.00 0.00 H new ATOM 1391 N ILE A 95 11.789 -4.797 -7.037 1.00 0.00 N ATOM 1392 CA ILE A 95 13.211 -4.503 -6.905 1.00 0.00 C ATOM 1393 C ILE A 95 13.890 -5.645 -6.165 1.00 0.00 C ATOM 1394 O ILE A 95 13.408 -6.103 -5.131 1.00 0.00 O ATOM 1395 CB ILE A 95 13.477 -3.194 -6.127 1.00 0.00 C ATOM 1396 CG1 ILE A 95 12.998 -1.914 -6.821 1.00 0.00 C ATOM 1397 CG2 ILE A 95 14.965 -3.002 -5.781 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.711 -1.522 -8.123 1.00 0.00 C ATOM 0 H ILE A 95 11.330 -5.031 -6.157 1.00 0.00 H new ATOM 0 HA ILE A 95 13.610 -4.385 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 95 12.882 -3.333 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.935 -2.022 -7.036 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.099 -1.088 -6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.094 -2.067 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.305 -3.833 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.551 -2.970 -6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.278 -0.600 -8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.772 -1.370 -7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.590 -2.318 -8.858 1.00 0.00 H new ATOM 1410 N PHE A 96 15.041 -6.046 -6.684 1.00 0.00 N ATOM 1411 CA PHE A 96 15.991 -6.909 -6.016 1.00 0.00 C ATOM 1412 C PHE A 96 17.296 -6.224 -6.373 1.00 0.00 C ATOM 1413 O PHE A 96 17.741 -6.264 -7.522 1.00 0.00 O ATOM 1414 CB PHE A 96 15.998 -8.382 -6.430 1.00 0.00 C ATOM 1415 CG PHE A 96 17.217 -9.151 -5.894 1.00 0.00 C ATOM 1416 CD1 PHE A 96 17.909 -8.758 -4.717 1.00 0.00 C ATOM 1417 CD2 PHE A 96 17.733 -10.222 -6.651 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.130 -9.362 -4.363 1.00 0.00 C ATOM 1419 CE2 PHE A 96 18.922 -10.869 -6.261 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.629 -10.429 -5.128 1.00 0.00 C ATOM 0 H PHE A 96 15.346 -5.766 -7.616 1.00 0.00 H new ATOM 0 HA PHE A 96 15.762 -7.003 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.087 -8.859 -6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 96 15.983 -8.448 -7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.493 -7.986 -4.086 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.212 -10.550 -7.538 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.682 -9.006 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.292 -11.706 -6.834 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.554 -10.911 -4.847 1.00 0.00 H new ATOM 1430 N GLU A 97 17.844 -5.525 -5.396 1.00 0.00 N ATOM 1431 CA GLU A 97 19.142 -4.901 -5.486 1.00 0.00 C ATOM 1432 C GLU A 97 19.934 -5.372 -4.277 1.00 0.00 C ATOM 1433 O GLU A 97 19.413 -5.981 -3.338 1.00 0.00 O ATOM 1434 CB GLU A 97 19.004 -3.369 -5.510 1.00 0.00 C ATOM 1435 CG GLU A 97 18.670 -2.814 -6.897 1.00 0.00 C ATOM 1436 CD GLU A 97 18.504 -1.285 -6.869 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.435 -0.569 -6.433 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.456 -0.783 -7.337 1.00 0.00 O ATOM 0 H GLU A 97 17.384 -5.375 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 97 19.654 -5.178 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.225 -3.070 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.935 -2.922 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.461 -3.082 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.752 -3.274 -7.262 1.00 0.00 H new ATOM 1445 N ASP A 98 21.215 -5.058 -4.319 1.00 0.00 N ATOM 1446 CA ASP A 98 22.117 -5.195 -3.204 1.00 0.00 C ATOM 1447 C ASP A 98 23.028 -3.987 -3.307 1.00 0.00 C ATOM 1448 O ASP A 98 23.424 -3.627 -4.422 1.00 0.00 O ATOM 1449 CB ASP A 98 22.906 -6.504 -3.252 1.00 0.00 C ATOM 1450 CG ASP A 98 23.888 -6.625 -2.086 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.952 -5.971 -2.125 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.637 -7.434 -1.165 1.00 0.00 O ATOM 0 H ASP A 98 21.665 -4.690 -5.157 1.00 0.00 H new ATOM 0 HA ASP A 98 21.583 -5.234 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.213 -7.345 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.452 -6.564 -4.193 1.00 0.00 H new ATOM 1457 N TRP A 99 23.325 -3.329 -2.188 1.00 0.00 N ATOM 1458 CA TRP A 99 24.061 -2.059 -2.196 1.00 0.00 C ATOM 1459 C TRP A 99 25.491 -2.178 -1.704 1.00 0.00 C ATOM 1460 O TRP A 99 26.187 -1.173 -1.636 1.00 0.00 O ATOM 1461 CB TRP A 99 23.236 -0.974 -1.482 1.00 0.00 C ATOM 1462 CG TRP A 99 21.962 -0.608 -2.181 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.659 -0.880 -3.472 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.799 0.094 -1.649 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.408 -0.398 -3.778 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.821 0.190 -2.685 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.472 0.669 -0.398 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.565 0.769 -2.475 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.213 1.267 -0.184 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.258 1.290 -1.213 1.00 0.00 C ATOM 0 H TRP A 99 23.067 -3.654 -1.256 1.00 0.00 H new ATOM 0 HA TRP A 99 24.185 -1.747 -3.233 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.998 -1.318 -0.475 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.849 -0.079 -1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.306 -1.401 -4.162 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.973 -0.468 -4.698 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.196 0.650 0.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.842 0.813 -3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.983 1.709 0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.281 1.712 -1.030 1.00 0.00 H new ATOM 1481 N GLN A 100 25.921 -3.414 -1.461 1.00 0.00 N ATOM 1482 CA GLN A 100 27.160 -3.905 -0.845 1.00 0.00 C ATOM 1483 C GLN A 100 27.564 -3.095 0.410 1.00 0.00 C ATOM 1484 O GLN A 100 27.402 -3.557 1.539 1.00 0.00 O ATOM 1485 CB GLN A 100 28.322 -3.940 -1.870 1.00 0.00 C ATOM 1486 CG GLN A 100 28.132 -4.847 -3.096 1.00 0.00 C ATOM 1487 CD GLN A 100 27.295 -4.199 -4.198 1.00 0.00 C ATOM 1488 OE1 GLN A 100 27.760 -3.339 -4.944 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.046 -4.605 -4.314 1.00 0.00 N ATOM 0 H GLN A 100 25.331 -4.203 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 100 26.956 -4.924 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.496 -2.923 -2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 100 29.226 -4.256 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 100 29.109 -5.112 -3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 100 27.654 -5.775 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.681 -5.320 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.444 -4.204 -5.034 1.00 0.00 H new ATOM 1498 N LEU A 101 27.997 -1.858 0.160 1.00 0.00 N ATOM 1499 CA LEU A 101 28.415 -0.757 1.022 1.00 0.00 C ATOM 1500 C LEU A 101 29.496 -1.118 2.055 1.00 0.00 C ATOM 1501 O LEU A 101 30.107 -2.188 1.994 1.00 0.00 O ATOM 1502 CB LEU A 101 27.165 -0.009 1.565 1.00 0.00 C ATOM 1503 CG LEU A 101 27.046 1.487 1.194 1.00 0.00 C ATOM 1504 CD1 LEU A 101 28.233 2.313 1.701 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.888 1.724 -0.312 1.00 0.00 C ATOM 0 H LEU A 101 28.072 -1.564 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 101 28.964 -0.038 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.275 -0.523 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.161 -0.093 2.652 1.00 0.00 H new ATOM 0 HG LEU A 101 26.137 1.820 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 101 28.100 3.356 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.290 2.240 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 101 29.155 1.931 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.810 2.794 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.755 1.323 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.986 1.224 -0.666 1.00 0.00 H new ATOM 1517 N GLU A 102 29.805 -0.153 2.927 1.00 0.00 N ATOM 1518 CA GLU A 102 30.850 -0.214 3.937 1.00 0.00 C ATOM 1519 C GLU A 102 30.551 -1.339 4.926 1.00 0.00 C ATOM 1520 O GLU A 102 29.472 -1.922 4.935 1.00 0.00 O ATOM 1521 CB GLU A 102 30.994 1.170 4.603 1.00 0.00 C ATOM 1522 CG GLU A 102 31.731 2.146 3.676 1.00 0.00 C ATOM 1523 CD GLU A 102 31.567 3.607 4.128 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.579 4.249 3.696 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.438 4.113 4.872 1.00 0.00 O ATOM 0 H GLU A 102 29.303 0.735 2.943 1.00 0.00 H new ATOM 0 HA GLU A 102 31.813 -0.452 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.008 1.566 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.538 1.072 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.791 1.891 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.352 2.036 2.660 1.00 0.00 H new ATOM 1532 N ASP A 103 31.494 -1.619 5.811 1.00 0.00 N ATOM 1533 CA ASP A 103 31.512 -2.795 6.676 1.00 0.00 C ATOM 1534 C ASP A 103 31.737 -2.404 8.140 1.00 0.00 C ATOM 1535 O ASP A 103 32.839 -2.561 8.666 1.00 0.00 O ATOM 1536 CB ASP A 103 32.542 -3.771 6.092 1.00 0.00 C ATOM 1537 CG ASP A 103 32.385 -5.174 6.675 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.323 -5.799 6.430 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.322 -5.671 7.335 1.00 0.00 O ATOM 0 H ASP A 103 32.301 -1.012 5.955 1.00 0.00 H new ATOM 0 HA ASP A 103 30.548 -3.303 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.430 -3.813 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.548 -3.403 6.295 1.00 0.00 H new ATOM 1544 N PRO A 104 30.720 -1.800 8.793 1.00 0.00 N ATOM 1545 CA PRO A 104 30.820 -1.233 10.137 1.00 0.00 C ATOM 1546 C PRO A 104 30.853 -2.301 11.256 1.00 0.00 C ATOM 1547 O PRO A 104 29.906 -2.465 12.028 1.00 0.00 O ATOM 1548 CB PRO A 104 29.635 -0.262 10.249 1.00 0.00 C ATOM 1549 CG PRO A 104 28.583 -0.908 9.370 1.00 0.00 C ATOM 1550 CD PRO A 104 29.411 -1.486 8.229 1.00 0.00 C ATOM 0 HA PRO A 104 31.769 -0.716 10.280 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.293 -0.159 11.279 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.896 0.736 9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.030 -1.682 9.902 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.852 -0.183 9.013 1.00 0.00 H new ATOM 0 HD2 PRO A 104 28.939 -2.379 7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.501 -0.770 7.412 1.00 0.00 H new ATOM 1558 N ASP A 105 31.941 -3.073 11.322 1.00 0.00 N ATOM 1559 CA ASP A 105 32.157 -4.119 12.335 1.00 0.00 C ATOM 1560 C ASP A 105 32.270 -3.558 13.757 1.00 0.00 C ATOM 1561 O ASP A 105 31.856 -4.197 14.728 1.00 0.00 O ATOM 1562 CB ASP A 105 33.445 -4.885 12.009 1.00 0.00 C ATOM 1563 CG ASP A 105 33.581 -6.135 12.891 1.00 0.00 C ATOM 1564 OD1 ASP A 105 32.913 -7.152 12.581 1.00 0.00 O ATOM 1565 OD2 ASP A 105 34.387 -6.122 13.850 1.00 0.00 O ATOM 0 H ASP A 105 32.714 -2.990 10.661 1.00 0.00 H new ATOM 0 HA ASP A 105 31.286 -4.774 12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 105 33.443 -5.175 10.958 1.00 0.00 H new ATOM 0 HB3 ASP A 105 34.307 -4.235 12.159 1.00 0.00 H new ATOM 1570 N GLY A 106 32.831 -2.353 13.858 1.00 0.00 N ATOM 1571 CA GLY A 106 33.126 -1.649 15.098 1.00 0.00 C ATOM 1572 C GLY A 106 34.277 -0.672 14.860 1.00 0.00 C ATOM 1573 O GLY A 106 35.445 -1.061 14.936 1.00 0.00 O ATOM 0 H GLY A 106 33.104 -1.818 13.034 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.243 -1.112 15.444 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.393 -2.361 15.879 1.00 0.00 H new ATOM 1577 N GLN A 107 33.945 0.576 14.517 1.00 0.00 N ATOM 1578 CA GLN A 107 34.873 1.600 14.043 1.00 0.00 C ATOM 1579 C GLN A 107 34.754 2.884 14.862 1.00 0.00 C ATOM 1580 O GLN A 107 34.111 2.942 15.915 1.00 0.00 O ATOM 1581 CB GLN A 107 34.618 1.959 12.555 1.00 0.00 C ATOM 1582 CG GLN A 107 33.899 0.942 11.688 1.00 0.00 C ATOM 1583 CD GLN A 107 32.393 1.009 11.921 1.00 0.00 C ATOM 1584 OE1 GLN A 107 31.855 0.259 12.715 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.672 1.893 11.251 1.00 0.00 N ATOM 0 H GLN A 107 32.983 0.911 14.565 1.00 0.00 H new ATOM 0 HA GLN A 107 35.872 1.178 14.155 1.00 0.00 H new ATOM 0 HB2 GLN A 107 34.044 2.885 12.529 1.00 0.00 H new ATOM 0 HB3 GLN A 107 35.582 2.169 12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 107 34.119 1.131 10.637 1.00 0.00 H new ATOM 0 HG3 GLN A 107 34.264 -0.060 11.915 1.00 0.00 H new ATOM 0 HE21 GLN A 107 32.124 2.521 10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 107 30.664 1.947 11.399 1.00 0.00 H new ATOM 1594 N SER A 108 35.386 3.919 14.317 1.00 0.00 N ATOM 1595 CA SER A 108 35.253 5.296 14.746 1.00 0.00 C ATOM 1596 C SER A 108 33.857 5.789 14.345 1.00 0.00 C ATOM 1597 O SER A 108 33.239 5.261 13.410 1.00 0.00 O ATOM 1598 CB SER A 108 36.381 6.127 14.105 1.00 0.00 C ATOM 1599 OG SER A 108 36.566 5.784 12.735 1.00 0.00 O ATOM 0 H SER A 108 36.029 3.811 13.533 1.00 0.00 H new ATOM 0 HA SER A 108 35.349 5.396 15.827 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.145 7.188 14.187 1.00 0.00 H new ATOM 0 HB3 SER A 108 37.310 5.964 14.651 1.00 0.00 H new ATOM 0 HG SER A 108 37.287 6.329 12.356 1.00 0.00 H new ATOM 1605 N LEU A 109 33.362 6.834 15.017 1.00 0.00 N ATOM 1606 CA LEU A 109 32.042 7.395 14.724 1.00 0.00 C ATOM 1607 C LEU A 109 31.966 7.913 13.292 1.00 0.00 C ATOM 1608 O LEU A 109 30.919 7.821 12.666 1.00 0.00 O ATOM 1609 CB LEU A 109 31.680 8.516 15.717 1.00 0.00 C ATOM 1610 CG LEU A 109 31.564 8.097 17.198 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.973 9.253 18.018 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.732 6.822 17.413 1.00 0.00 C ATOM 0 H LEU A 109 33.859 7.309 15.770 1.00 0.00 H new ATOM 0 HA LEU A 109 31.316 6.590 14.835 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.434 9.300 15.640 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.731 8.955 15.409 1.00 0.00 H new ATOM 0 HG LEU A 109 32.574 7.866 17.537 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.892 8.954 19.063 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.623 10.125 17.939 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.984 9.502 17.635 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.694 6.588 18.477 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.720 6.980 17.039 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.192 5.993 16.875 1.00 0.00 H new ATOM 1624 N GLU A 110 33.079 8.401 12.742 1.00 0.00 N ATOM 1625 CA GLU A 110 33.129 8.958 11.389 1.00 0.00 C ATOM 1626 C GLU A 110 32.689 7.932 10.359 1.00 0.00 C ATOM 1627 O GLU A 110 31.979 8.273 9.415 1.00 0.00 O ATOM 1628 CB GLU A 110 34.550 9.431 11.052 1.00 0.00 C ATOM 1629 CG GLU A 110 34.900 10.654 11.890 1.00 0.00 C ATOM 1630 CD GLU A 110 36.271 11.238 11.511 1.00 0.00 C ATOM 1631 OE1 GLU A 110 36.335 12.117 10.615 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.298 10.834 12.114 1.00 0.00 O ATOM 0 H GLU A 110 33.977 8.421 13.226 1.00 0.00 H new ATOM 0 HA GLU A 110 32.446 9.807 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.265 8.631 11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.620 9.673 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.132 11.416 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.901 10.382 12.946 1.00 0.00 H new ATOM 1639 N VAL A 111 33.067 6.667 10.539 1.00 0.00 N ATOM 1640 CA VAL A 111 32.686 5.650 9.583 1.00 0.00 C ATOM 1641 C VAL A 111 31.205 5.359 9.750 1.00 0.00 C ATOM 1642 O VAL A 111 30.521 5.351 8.739 1.00 0.00 O ATOM 1643 CB VAL A 111 33.612 4.420 9.677 1.00 0.00 C ATOM 1644 CG1 VAL A 111 33.285 3.372 8.597 1.00 0.00 C ATOM 1645 CG2 VAL A 111 35.091 4.802 9.519 1.00 0.00 C ATOM 0 H VAL A 111 33.626 6.334 11.325 1.00 0.00 H new ATOM 0 HA VAL A 111 32.823 6.002 8.561 1.00 0.00 H new ATOM 0 HB VAL A 111 33.440 4.001 10.668 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.960 2.522 8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 111 32.256 3.034 8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 111 33.408 3.817 7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.708 3.906 9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 111 35.244 5.270 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.372 5.501 10.306 1.00 0.00 H new ATOM 1655 N PHE A 112 30.665 5.228 10.971 1.00 0.00 N ATOM 1656 CA PHE A 112 29.208 5.124 11.138 1.00 0.00 C ATOM 1657 C PHE A 112 28.474 6.279 10.436 1.00 0.00 C ATOM 1658 O PHE A 112 27.543 6.020 9.673 1.00 0.00 O ATOM 1659 CB PHE A 112 28.823 5.086 12.619 1.00 0.00 C ATOM 1660 CG PHE A 112 29.016 3.736 13.270 1.00 0.00 C ATOM 1661 CD1 PHE A 112 28.067 2.718 13.048 1.00 0.00 C ATOM 1662 CD2 PHE A 112 30.133 3.490 14.091 1.00 0.00 C ATOM 1663 CE1 PHE A 112 28.251 1.451 13.628 1.00 0.00 C ATOM 1664 CE2 PHE A 112 30.301 2.229 14.687 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.368 1.207 14.447 1.00 0.00 C ATOM 0 H PHE A 112 31.200 5.192 11.838 1.00 0.00 H new ATOM 0 HA PHE A 112 28.900 4.188 10.671 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.416 5.825 13.157 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.778 5.381 12.720 1.00 0.00 H new ATOM 0 HD1 PHE A 112 27.200 2.911 12.433 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.860 4.270 14.262 1.00 0.00 H new ATOM 0 HE1 PHE A 112 27.534 0.664 13.445 1.00 0.00 H new ATOM 0 HE2 PHE A 112 31.149 2.045 15.331 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.508 0.233 14.892 1.00 0.00 H new ATOM 1675 N ARG A 113 28.922 7.532 10.614 1.00 0.00 N ATOM 1676 CA ARG A 113 28.334 8.694 9.931 1.00 0.00 C ATOM 1677 C ARG A 113 28.413 8.537 8.420 1.00 0.00 C ATOM 1678 O ARG A 113 27.450 8.841 7.716 1.00 0.00 O ATOM 1679 CB ARG A 113 29.069 10.002 10.289 1.00 0.00 C ATOM 1680 CG ARG A 113 28.921 10.435 11.753 1.00 0.00 C ATOM 1681 CD ARG A 113 29.576 11.798 11.996 1.00 0.00 C ATOM 1682 NE ARG A 113 29.330 12.253 13.374 1.00 0.00 N ATOM 1683 CZ ARG A 113 30.163 12.964 14.148 1.00 0.00 C ATOM 1684 NH1 ARG A 113 31.351 13.374 13.700 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.790 13.264 15.383 1.00 0.00 N ATOM 0 H ARG A 113 29.698 7.767 11.233 1.00 0.00 H new ATOM 0 HA ARG A 113 27.297 8.745 10.263 1.00 0.00 H new ATOM 0 HB2 ARG A 113 30.129 9.881 10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.696 10.801 9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.864 10.484 12.015 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.376 9.688 12.404 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.649 11.729 11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.181 12.528 11.290 1.00 0.00 H new ATOM 0 HE ARG A 113 28.431 12.001 13.784 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.643 13.148 12.749 1.00 0.00 H new ATOM 0 HH12 ARG A 113 31.967 13.914 14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.882 12.955 15.731 1.00 0.00 H new ATOM 0 HH22 ARG A 113 30.410 13.804 15.986 1.00 0.00 H new ATOM 1699 N THR A 114 29.559 8.085 7.925 1.00 0.00 N ATOM 1700 CA THR A 114 29.781 7.982 6.502 1.00 0.00 C ATOM 1701 C THR A 114 28.878 6.890 5.934 1.00 0.00 C ATOM 1702 O THR A 114 28.231 7.128 4.915 1.00 0.00 O ATOM 1703 CB THR A 114 31.269 7.715 6.217 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.072 8.754 6.757 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.549 7.650 4.715 1.00 0.00 C ATOM 0 H THR A 114 30.348 7.785 8.498 1.00 0.00 H new ATOM 0 HA THR A 114 29.526 8.921 6.010 1.00 0.00 H new ATOM 0 HB THR A 114 31.511 6.758 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.013 8.738 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.610 7.460 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.963 6.846 4.270 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.274 8.598 4.252 1.00 0.00 H new ATOM 1713 N VAL A 115 28.781 5.734 6.600 1.00 0.00 N ATOM 1714 CA VAL A 115 28.050 4.584 6.064 1.00 0.00 C ATOM 1715 C VAL A 115 26.594 4.997 5.918 1.00 0.00 C ATOM 1716 O VAL A 115 26.034 4.937 4.830 1.00 0.00 O ATOM 1717 CB VAL A 115 28.190 3.335 6.973 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.438 2.132 6.379 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.639 2.921 7.293 1.00 0.00 C ATOM 0 H VAL A 115 29.202 5.571 7.515 1.00 0.00 H new ATOM 0 HA VAL A 115 28.466 4.300 5.097 1.00 0.00 H new ATOM 0 HB VAL A 115 27.743 3.639 7.919 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.553 1.270 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.380 2.376 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.847 1.896 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.632 2.039 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.165 2.692 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.146 3.738 7.806 1.00 0.00 H new ATOM 1729 N ARG A 116 26.031 5.509 7.011 1.00 0.00 N ATOM 1730 CA ARG A 116 24.733 6.168 7.080 1.00 0.00 C ATOM 1731 C ARG A 116 24.532 7.103 5.893 1.00 0.00 C ATOM 1732 O ARG A 116 23.597 6.898 5.133 1.00 0.00 O ATOM 1733 CB ARG A 116 24.730 6.877 8.439 1.00 0.00 C ATOM 1734 CG ARG A 116 23.598 7.850 8.753 1.00 0.00 C ATOM 1735 CD ARG A 116 24.014 8.618 10.011 1.00 0.00 C ATOM 1736 NE ARG A 116 24.682 9.899 9.683 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.234 10.752 10.560 1.00 0.00 C ATOM 1738 NH1 ARG A 116 25.181 10.517 11.862 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.860 11.837 10.124 1.00 0.00 N ATOM 0 H ARG A 116 26.495 5.472 7.919 1.00 0.00 H new ATOM 0 HA ARG A 116 23.893 5.476 7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.731 6.109 9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.670 7.422 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.432 8.533 7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.663 7.315 8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.134 8.814 10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.686 8.001 10.607 1.00 0.00 H new ATOM 0 HE ARG A 116 24.727 10.157 8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.716 9.679 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.605 11.174 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.922 12.023 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.280 12.486 10.790 1.00 0.00 H new ATOM 1753 N GLY A 117 25.387 8.103 5.686 1.00 0.00 N ATOM 1754 CA GLY A 117 25.172 9.070 4.611 1.00 0.00 C ATOM 1755 C GLY A 117 25.175 8.399 3.243 1.00 0.00 C ATOM 1756 O GLY A 117 24.285 8.641 2.435 1.00 0.00 O ATOM 0 H GLY A 117 26.227 8.264 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.221 9.580 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.951 9.832 4.645 1.00 0.00 H new ATOM 1760 N GLN A 118 26.097 7.479 2.979 1.00 0.00 N ATOM 1761 CA GLN A 118 26.093 6.782 1.704 1.00 0.00 C ATOM 1762 C GLN A 118 24.835 5.940 1.530 1.00 0.00 C ATOM 1763 O GLN A 118 24.247 5.926 0.447 1.00 0.00 O ATOM 1764 CB GLN A 118 27.370 5.961 1.545 1.00 0.00 C ATOM 1765 CG GLN A 118 28.599 6.879 1.550 1.00 0.00 C ATOM 1766 CD GLN A 118 29.719 6.325 0.664 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.833 6.679 -0.507 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.549 5.429 1.175 1.00 0.00 N ATOM 0 H GLN A 118 26.842 7.204 3.619 1.00 0.00 H new ATOM 0 HA GLN A 118 26.076 7.523 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.447 5.235 2.355 1.00 0.00 H new ATOM 0 HB3 GLN A 118 27.333 5.396 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.314 7.871 1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.964 6.994 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.450 5.139 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.287 5.029 0.596 1.00 0.00 H new ATOM 1777 N VAL A 119 24.374 5.298 2.598 1.00 0.00 N ATOM 1778 CA VAL A 119 23.117 4.563 2.599 1.00 0.00 C ATOM 1779 C VAL A 119 21.979 5.531 2.275 1.00 0.00 C ATOM 1780 O VAL A 119 21.119 5.173 1.480 1.00 0.00 O ATOM 1781 CB VAL A 119 22.922 3.850 3.952 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.507 3.303 4.156 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.884 2.657 4.072 1.00 0.00 C ATOM 0 H VAL A 119 24.865 5.274 3.491 1.00 0.00 H new ATOM 0 HA VAL A 119 23.126 3.786 1.834 1.00 0.00 H new ATOM 0 HB VAL A 119 23.117 4.611 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.442 2.815 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.790 4.123 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.279 2.581 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.734 2.164 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.688 1.949 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.913 3.011 4.002 1.00 0.00 H new ATOM 1793 N LYS A 120 21.984 6.759 2.806 1.00 0.00 N ATOM 1794 CA LYS A 120 20.914 7.735 2.589 1.00 0.00 C ATOM 1795 C LYS A 120 20.706 7.972 1.103 1.00 0.00 C ATOM 1796 O LYS A 120 19.569 8.003 0.649 1.00 0.00 O ATOM 1797 CB LYS A 120 21.151 9.013 3.425 1.00 0.00 C ATOM 1798 CG LYS A 120 21.656 10.286 2.715 1.00 0.00 C ATOM 1799 CD LYS A 120 20.632 11.133 1.929 1.00 0.00 C ATOM 1800 CE LYS A 120 19.336 11.392 2.711 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.556 12.526 2.142 1.00 0.00 N ATOM 0 H LYS A 120 22.736 7.104 3.402 1.00 0.00 H new ATOM 0 HA LYS A 120 19.969 7.334 2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 120 20.212 9.262 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.868 8.766 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.113 10.929 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 120 22.446 9.992 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 120 21.086 12.088 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.390 10.625 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.723 10.491 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 120 19.578 11.605 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.815 12.809 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.191 13.331 1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.117 12.231 1.247 1.00 0.00 H new ATOM 1815 N GLU A 121 21.791 8.092 0.342 1.00 0.00 N ATOM 1816 CA GLU A 121 21.699 8.302 -1.099 1.00 0.00 C ATOM 1817 C GLU A 121 21.092 7.077 -1.777 1.00 0.00 C ATOM 1818 O GLU A 121 20.239 7.230 -2.650 1.00 0.00 O ATOM 1819 CB GLU A 121 23.090 8.565 -1.707 1.00 0.00 C ATOM 1820 CG GLU A 121 23.821 9.784 -1.135 1.00 0.00 C ATOM 1821 CD GLU A 121 25.204 9.963 -1.794 1.00 0.00 C ATOM 1822 OE1 GLU A 121 26.081 9.076 -1.633 1.00 0.00 O ATOM 1823 OE2 GLU A 121 25.418 10.990 -2.483 1.00 0.00 O ATOM 0 H GLU A 121 22.745 8.047 0.700 1.00 0.00 H new ATOM 0 HA GLU A 121 21.063 9.171 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.711 7.682 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.982 8.696 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.220 10.680 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.940 9.668 -0.058 1.00 0.00 H new ATOM 1830 N ARG A 122 21.502 5.856 -1.399 1.00 0.00 N ATOM 1831 CA ARG A 122 20.993 4.664 -2.088 1.00 0.00 C ATOM 1832 C ARG A 122 19.526 4.450 -1.736 1.00 0.00 C ATOM 1833 O ARG A 122 18.723 4.203 -2.632 1.00 0.00 O ATOM 1834 CB ARG A 122 21.804 3.392 -1.794 1.00 0.00 C ATOM 1835 CG ARG A 122 23.151 3.285 -2.532 1.00 0.00 C ATOM 1836 CD ARG A 122 24.234 4.138 -1.878 1.00 0.00 C ATOM 1837 NE ARG A 122 25.461 4.271 -2.686 1.00 0.00 N ATOM 1838 CZ ARG A 122 26.256 5.355 -2.684 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.030 6.325 -1.803 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.253 5.467 -3.551 1.00 0.00 N ATOM 0 H ARG A 122 22.163 5.672 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 122 21.099 4.851 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.991 3.340 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.196 2.525 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.472 2.244 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.022 3.597 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.831 5.131 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 122 24.492 3.702 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 122 25.724 3.489 -3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.260 6.242 -1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 122 26.626 7.153 -1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.424 4.725 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 122 27.849 6.295 -3.539 1.00 0.00 H new ATOM 1854 N VAL A 123 19.156 4.645 -0.468 1.00 0.00 N ATOM 1855 CA VAL A 123 17.775 4.630 -0.031 1.00 0.00 C ATOM 1856 C VAL A 123 16.964 5.602 -0.877 1.00 0.00 C ATOM 1857 O VAL A 123 15.968 5.223 -1.488 1.00 0.00 O ATOM 1858 CB VAL A 123 17.722 4.943 1.473 1.00 0.00 C ATOM 1859 CG1 VAL A 123 16.296 5.152 1.959 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.327 3.817 2.324 1.00 0.00 C ATOM 0 H VAL A 123 19.821 4.819 0.286 1.00 0.00 H new ATOM 0 HA VAL A 123 17.329 3.645 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 123 18.304 5.857 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 123 16.304 5.371 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.847 5.987 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.714 4.248 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 123 18.266 4.085 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.774 2.894 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.371 3.672 2.046 1.00 0.00 H new ATOM 1870 N GLU A 124 17.416 6.843 -0.965 1.00 0.00 N ATOM 1871 CA GLU A 124 16.678 7.875 -1.651 1.00 0.00 C ATOM 1872 C GLU A 124 16.563 7.581 -3.148 1.00 0.00 C ATOM 1873 O GLU A 124 15.527 7.860 -3.744 1.00 0.00 O ATOM 1874 CB GLU A 124 17.350 9.192 -1.311 1.00 0.00 C ATOM 1875 CG GLU A 124 16.575 10.368 -1.884 1.00 0.00 C ATOM 1876 CD GLU A 124 17.185 11.714 -1.460 1.00 0.00 C ATOM 1877 OE1 GLU A 124 17.287 11.975 -0.239 1.00 0.00 O ATOM 1878 OE2 GLU A 124 17.555 12.520 -2.347 1.00 0.00 O ATOM 0 H GLU A 124 18.300 7.155 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 124 15.640 7.922 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.426 9.296 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.367 9.197 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.564 10.301 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.538 10.317 -1.551 1.00 0.00 H new ATOM 1885 N ASN A 125 17.573 6.949 -3.747 1.00 0.00 N ATOM 1886 CA ASN A 125 17.509 6.472 -5.124 1.00 0.00 C ATOM 1887 C ASN A 125 16.411 5.432 -5.294 1.00 0.00 C ATOM 1888 O ASN A 125 15.612 5.541 -6.217 1.00 0.00 O ATOM 1889 CB ASN A 125 18.840 5.872 -5.590 1.00 0.00 C ATOM 1890 CG ASN A 125 19.740 6.920 -6.234 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.804 7.032 -7.455 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.435 7.714 -5.437 1.00 0.00 N ATOM 0 H ASN A 125 18.462 6.754 -3.286 1.00 0.00 H new ATOM 0 HA ASN A 125 17.287 7.344 -5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.354 5.425 -4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.647 5.071 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 125 21.037 8.435 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.369 7.606 -4.425 1.00 0.00 H new ATOM 1899 N LEU A 126 16.337 4.441 -4.405 1.00 0.00 N ATOM 1900 CA LEU A 126 15.278 3.431 -4.444 1.00 0.00 C ATOM 1901 C LEU A 126 13.922 4.096 -4.353 1.00 0.00 C ATOM 1902 O LEU A 126 13.048 3.815 -5.165 1.00 0.00 O ATOM 1903 CB LEU A 126 15.512 2.364 -3.366 1.00 0.00 C ATOM 1904 CG LEU A 126 14.311 1.820 -2.563 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.479 0.323 -2.401 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.205 2.411 -1.156 1.00 0.00 C ATOM 0 H LEU A 126 17.004 4.316 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 126 15.303 2.906 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.995 1.514 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.225 2.773 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 126 13.413 2.093 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.638 -0.078 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.513 -0.148 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.407 0.117 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.340 1.986 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.109 2.176 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.091 3.493 -1.223 1.00 0.00 H new ATOM 1918 N ILE A 127 13.778 5.015 -3.417 1.00 0.00 N ATOM 1919 CA ILE A 127 12.561 5.788 -3.233 1.00 0.00 C ATOM 1920 C ILE A 127 12.231 6.536 -4.522 1.00 0.00 C ATOM 1921 O ILE A 127 11.080 6.523 -4.945 1.00 0.00 O ATOM 1922 CB ILE A 127 12.817 6.712 -2.032 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.422 5.924 -0.769 1.00 0.00 C ATOM 1924 CG2 ILE A 127 12.124 8.079 -2.064 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.436 6.151 0.342 1.00 0.00 C ATOM 0 H ILE A 127 14.514 5.250 -2.752 1.00 0.00 H new ATOM 0 HA ILE A 127 11.689 5.169 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 127 13.874 6.979 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.432 6.235 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.361 4.861 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.381 8.638 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.453 8.633 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.044 7.938 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 127 13.140 5.586 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.419 5.817 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.476 7.212 0.586 1.00 0.00 H new ATOM 1937 N ALA A 128 13.219 7.126 -5.196 1.00 0.00 N ATOM 1938 CA ALA A 128 12.994 7.819 -6.450 1.00 0.00 C ATOM 1939 C ALA A 128 12.465 6.874 -7.536 1.00 0.00 C ATOM 1940 O ALA A 128 11.697 7.314 -8.395 1.00 0.00 O ATOM 1941 CB ALA A 128 14.267 8.548 -6.895 1.00 0.00 C ATOM 0 H ALA A 128 14.190 7.133 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 128 12.218 8.568 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 128 14.081 9.063 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.555 9.275 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 128 15.072 7.825 -7.029 1.00 0.00 H new ATOM 1947 N LYS A 129 12.830 5.586 -7.497 1.00 0.00 N ATOM 1948 CA LYS A 129 12.255 4.594 -8.388 1.00 0.00 C ATOM 1949 C LYS A 129 10.820 4.256 -8.001 1.00 0.00 C ATOM 1950 O LYS A 129 9.976 4.178 -8.895 1.00 0.00 O ATOM 1951 CB LYS A 129 13.090 3.307 -8.401 1.00 0.00 C ATOM 1952 CG LYS A 129 14.539 3.543 -8.840 1.00 0.00 C ATOM 1953 CD LYS A 129 15.346 2.267 -8.618 1.00 0.00 C ATOM 1954 CE LYS A 129 16.816 2.537 -8.959 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.604 1.290 -9.133 1.00 0.00 N ATOM 0 H LYS A 129 13.526 5.214 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 129 12.256 5.033 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.085 2.866 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.625 2.585 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.571 3.829 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.974 4.366 -8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.254 1.940 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.957 1.463 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.870 3.126 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.264 3.137 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.614 1.495 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.292 0.583 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.458 0.919 -10.093 1.00 0.00 H new ATOM 1969 N ILE A 130 10.527 4.059 -6.706 1.00 0.00 N ATOM 1970 CA ILE A 130 9.257 3.497 -6.293 1.00 0.00 C ATOM 1971 C ILE A 130 8.188 4.438 -5.753 1.00 0.00 C ATOM 1972 O ILE A 130 7.022 4.231 -6.091 1.00 0.00 O ATOM 1973 CB ILE A 130 9.495 2.328 -5.323 1.00 0.00 C ATOM 1974 CG1 ILE A 130 10.156 2.628 -3.965 1.00 0.00 C ATOM 1975 CG2 ILE A 130 10.131 1.155 -6.096 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.377 1.347 -3.150 1.00 0.00 C ATOM 0 H ILE A 130 11.159 4.284 -5.938 1.00 0.00 H new ATOM 0 HA ILE A 130 8.815 3.168 -7.233 1.00 0.00 H new ATOM 0 HB ILE A 130 8.505 2.048 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.112 3.126 -4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.529 3.317 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.303 0.321 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.460 0.839 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 130 11.080 1.475 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.845 1.598 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.418 0.863 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.025 0.669 -3.706 1.00 0.00 H new ATOM 1988 N SER A 131 8.530 5.389 -4.889 1.00 0.00 N ATOM 1989 CA SER A 131 7.571 6.190 -4.143 1.00 0.00 C ATOM 1990 C SER A 131 6.551 6.850 -5.069 1.00 0.00 C ATOM 1991 O SER A 131 5.358 6.484 -4.945 1.00 0.00 O ATOM 1992 CB SER A 131 8.307 7.190 -3.259 1.00 0.00 C ATOM 1993 OG SER A 131 8.988 6.441 -2.255 1.00 0.00 O ATOM 1994 OXT SER A 131 6.933 7.698 -5.908 1.00 0.00 O ATOM 0 H SER A 131 9.501 5.627 -4.685 1.00 0.00 H new ATOM 0 HA SER A 131 6.995 5.536 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.013 7.777 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.607 7.893 -2.807 1.00 0.00 H new ATOM 0 HG SER A 131 9.062 6.979 -1.439 1.00 0.00 H new TER 2000 SER A 131