USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 976 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 69 ASN : amide:sc= 0.606 K(o=1.1,f=0.46) USER MOD Set 1.2: A 73 TYR OH : rot -114:sc= 0.487 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -121:sc= 0.311 (180deg=0) USER MOD Set 2.2: A 131 SER OG : rot 32:sc= 0.387 USER MOD Set 3.1: A 11 ASN : amide:sc= -0.607 K(o=5.7,f=0.3!) USER MOD Set 3.2: A 16 GLN : amide:sc= 1.29 K(o=5.7,f=-5) USER MOD Set 3.3: A 23 LYS NZ :NH3+ 156:sc= 1.64 (180deg=1.19) USER MOD Set 3.4: A 34 SER OG : rot -10:sc= 0.695 USER MOD Set 3.5: A 60 GLN : amide:sc= 1.8 K(o=5.7,f=-3.9!) USER MOD Set 3.6: A 62 SER OG : rot -118:sc= 0.848 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0543 (180deg=-0.353) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.26 (180deg=0.782) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= 0.913 (180deg=0.676) USER MOD Single : A 5 MET CE :methyl 166:sc= -0.254 (180deg=-1.03) USER MOD Single : A 8 CYS SG : rot 148:sc= 0.0555 USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.26) USER MOD Single : A 12 SER OG : rot 170:sc= -0.779 USER MOD Single : A 13 CYS SG : rot 139:sc= 1.03 USER MOD Single : A 15 SER OG : rot -154:sc= -0.848 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 91:sc= 0.834 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -170:sc= -1.36 USER MOD Single : A 39 SER OG : rot 140:sc= 0 USER MOD Single : A 40 SER OG : rot -130:sc= 0.727 USER MOD Single : A 43 HIS : no HD1:sc= 0.556 K(o=0.56,f=-5.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -161:sc= -0.127 (180deg=-0.605) USER MOD Single : A 50 MET CE :methyl -142:sc= -0.205 (180deg=-3.03!) USER MOD Single : A 58 SER OG : rot 92:sc= 1.29 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.633 K(o=0.63,f=-0.11) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -39:sc= 0.256 USER MOD Single : A 93 GLN : amide:sc= 1.02 K(o=1,f=-0.17) USER MOD Single : A 100 GLN : amide:sc= 0.172 K(o=0.17,f=-3.7!) USER MOD Single : A 107 GLN : amide:sc= 0.187 K(o=0.19,f=-0.81) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A 118 GLN : amide:sc= 0.933 K(o=0.93,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.982 K(o=0.98,f=-0.0011) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.887 -0.088 1.213 1.00 0.00 N ATOM 2 CA MET A 1 2.341 0.101 -0.192 1.00 0.00 C ATOM 3 C MET A 1 2.387 1.588 -0.560 1.00 0.00 C ATOM 4 O MET A 1 1.379 2.281 -0.435 1.00 0.00 O ATOM 5 CB MET A 1 1.480 -0.699 -1.195 1.00 0.00 C ATOM 6 CG MET A 1 2.123 -0.763 -2.588 1.00 0.00 C ATOM 7 SD MET A 1 1.191 -1.788 -3.758 1.00 0.00 S ATOM 8 CE MET A 1 2.465 -2.045 -5.020 1.00 0.00 C ATOM 0 H1 MET A 1 1.557 -1.066 1.343 1.00 0.00 H new ATOM 0 H2 MET A 1 2.678 0.100 1.862 1.00 0.00 H new ATOM 0 H3 MET A 1 1.108 0.570 1.418 1.00 0.00 H new ATOM 0 HA MET A 1 3.354 -0.295 -0.258 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.332 -1.711 -0.818 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.494 -0.240 -1.272 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.209 0.247 -2.988 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.135 -1.157 -2.496 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.003 -2.423 -5.932 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.964 -1.099 -5.231 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.196 -2.768 -4.657 1.00 0.00 H new ATOM 18 N LYS A 2 3.540 2.069 -1.047 1.00 0.00 N ATOM 19 CA LYS A 2 3.750 3.426 -1.617 1.00 0.00 C ATOM 20 C LYS A 2 4.446 3.362 -2.980 1.00 0.00 C ATOM 21 O LYS A 2 4.969 2.316 -3.362 1.00 0.00 O ATOM 22 CB LYS A 2 4.519 4.298 -0.597 1.00 0.00 C ATOM 23 CG LYS A 2 3.578 4.868 0.477 1.00 0.00 C ATOM 24 CD LYS A 2 4.302 5.808 1.457 1.00 0.00 C ATOM 25 CE LYS A 2 3.333 6.608 2.348 1.00 0.00 C ATOM 26 NZ LYS A 2 2.594 5.759 3.331 1.00 0.00 N ATOM 0 H LYS A 2 4.392 1.508 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 2 2.782 3.893 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.298 3.702 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.017 5.116 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.765 5.409 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.127 4.046 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.969 5.222 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.926 6.502 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.893 7.372 2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.614 7.128 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.960 6.357 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.034 5.046 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.273 5.282 3.958 1.00 0.00 H new ATOM 40 N LYS A 3 4.444 4.469 -3.726 1.00 0.00 N ATOM 41 CA LYS A 3 5.065 4.587 -5.059 1.00 0.00 C ATOM 42 C LYS A 3 6.349 5.407 -4.992 1.00 0.00 C ATOM 43 O LYS A 3 6.395 6.426 -4.308 1.00 0.00 O ATOM 44 CB LYS A 3 4.082 5.148 -6.112 1.00 0.00 C ATOM 45 CG LYS A 3 2.836 4.273 -6.366 1.00 0.00 C ATOM 46 CD LYS A 3 1.663 4.423 -5.379 1.00 0.00 C ATOM 47 CE LYS A 3 1.105 5.850 -5.385 1.00 0.00 C ATOM 48 NZ LYS A 3 0.275 6.131 -4.184 1.00 0.00 N ATOM 0 H LYS A 3 4.000 5.334 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 3 5.328 3.581 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.755 6.137 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.615 5.278 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.466 4.493 -7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.149 3.229 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.872 3.721 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.996 4.166 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.930 6.561 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.505 6.001 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.270 7.004 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.379 5.339 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.892 6.247 -3.355 1.00 0.00 H new ATOM 62 N VAL A 4 7.374 4.976 -5.721 1.00 0.00 N ATOM 63 CA VAL A 4 8.687 5.651 -5.795 1.00 0.00 C ATOM 64 C VAL A 4 9.036 5.959 -7.254 1.00 0.00 C ATOM 65 O VAL A 4 8.772 5.159 -8.147 1.00 0.00 O ATOM 66 CB VAL A 4 9.805 4.868 -5.075 1.00 0.00 C ATOM 67 CG1 VAL A 4 11.089 5.698 -4.962 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.396 4.404 -3.668 1.00 0.00 C ATOM 0 H VAL A 4 7.325 4.132 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 4 8.608 6.595 -5.256 1.00 0.00 H new ATOM 0 HB VAL A 4 9.985 3.987 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.855 5.116 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.440 5.962 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.886 6.607 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.222 3.859 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.150 5.272 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.526 3.752 -3.739 1.00 0.00 H new ATOM 78 N MET A 5 9.635 7.119 -7.504 1.00 0.00 N ATOM 79 CA MET A 5 10.029 7.569 -8.842 1.00 0.00 C ATOM 80 C MET A 5 11.454 8.121 -8.814 1.00 0.00 C ATOM 81 O MET A 5 11.799 8.918 -7.943 1.00 0.00 O ATOM 82 CB MET A 5 8.996 8.580 -9.369 1.00 0.00 C ATOM 83 CG MET A 5 9.441 9.360 -10.611 1.00 0.00 C ATOM 84 SD MET A 5 9.808 8.393 -12.098 1.00 0.00 S ATOM 85 CE MET A 5 8.318 8.721 -13.080 1.00 0.00 C ATOM 0 H MET A 5 9.866 7.789 -6.770 1.00 0.00 H new ATOM 0 HA MET A 5 10.038 6.729 -9.537 1.00 0.00 H new ATOM 0 HB2 MET A 5 8.073 8.049 -9.602 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.764 9.289 -8.575 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.660 10.079 -10.858 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.331 9.933 -10.351 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.486 8.410 -14.111 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.479 8.163 -12.665 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.093 9.787 -13.054 1.00 0.00 H new ATOM 95 N PHE A 6 12.271 7.709 -9.781 1.00 0.00 N ATOM 96 CA PHE A 6 13.693 8.065 -9.875 1.00 0.00 C ATOM 97 C PHE A 6 13.943 8.991 -11.075 1.00 0.00 C ATOM 98 O PHE A 6 13.683 8.585 -12.204 1.00 0.00 O ATOM 99 CB PHE A 6 14.521 6.771 -9.971 1.00 0.00 C ATOM 100 CG PHE A 6 14.168 5.722 -8.944 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.604 5.856 -7.616 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.383 4.618 -9.323 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.217 4.915 -6.648 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.989 3.681 -8.352 1.00 0.00 C ATOM 105 CZ PHE A 6 13.391 3.838 -7.014 1.00 0.00 C ATOM 0 H PHE A 6 11.959 7.104 -10.541 1.00 0.00 H new ATOM 0 HA PHE A 6 13.999 8.614 -8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.391 6.345 -10.966 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.577 7.022 -9.867 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.238 6.685 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.085 4.491 -10.353 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.553 5.018 -5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.376 2.838 -8.635 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.065 3.130 -6.266 1.00 0.00 H new ATOM 115 N VAL A 7 14.467 10.201 -10.847 1.00 0.00 N ATOM 116 CA VAL A 7 14.834 11.172 -11.897 1.00 0.00 C ATOM 117 C VAL A 7 16.335 11.128 -12.216 1.00 0.00 C ATOM 118 O VAL A 7 17.157 10.995 -11.318 1.00 0.00 O ATOM 119 CB VAL A 7 14.271 12.592 -11.610 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.303 13.724 -11.666 1.00 0.00 C ATOM 121 CG2 VAL A 7 13.189 12.946 -12.642 1.00 0.00 C ATOM 0 H VAL A 7 14.654 10.545 -9.905 1.00 0.00 H new ATOM 0 HA VAL A 7 14.342 10.867 -12.820 1.00 0.00 H new ATOM 0 HB VAL A 7 13.892 12.529 -10.590 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.813 14.674 -11.452 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.082 13.543 -10.926 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.749 13.761 -12.660 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.800 13.943 -12.434 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.621 12.927 -13.643 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.378 12.220 -12.583 1.00 0.00 H new ATOM 131 N CYS A 8 16.703 11.253 -13.490 1.00 0.00 N ATOM 132 CA CYS A 8 18.072 11.304 -14.029 1.00 0.00 C ATOM 133 C CYS A 8 18.199 12.473 -15.038 1.00 0.00 C ATOM 134 O CYS A 8 17.217 13.139 -15.347 1.00 0.00 O ATOM 135 CB CYS A 8 18.326 9.919 -14.656 1.00 0.00 C ATOM 136 SG CYS A 8 20.029 9.663 -15.252 1.00 0.00 S ATOM 0 H CYS A 8 16.006 11.327 -14.231 1.00 0.00 H new ATOM 0 HA CYS A 8 18.825 11.501 -13.266 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.093 9.151 -13.918 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.638 9.779 -15.489 1.00 0.00 H new ATOM 0 HG CYS A 8 20.354 8.412 -15.112 1.00 0.00 H new ATOM 142 N LYS A 9 19.381 12.709 -15.629 1.00 0.00 N ATOM 143 CA LYS A 9 19.567 13.766 -16.658 1.00 0.00 C ATOM 144 C LYS A 9 18.883 13.399 -17.985 1.00 0.00 C ATOM 145 O LYS A 9 18.044 14.151 -18.462 1.00 0.00 O ATOM 146 CB LYS A 9 21.076 14.120 -16.768 1.00 0.00 C ATOM 147 CG LYS A 9 21.386 15.626 -16.886 1.00 0.00 C ATOM 148 CD LYS A 9 21.759 16.147 -18.284 1.00 0.00 C ATOM 149 CE LYS A 9 20.580 16.252 -19.266 1.00 0.00 C ATOM 150 NZ LYS A 9 20.968 17.018 -20.487 1.00 0.00 N ATOM 0 H LYS A 9 20.230 12.185 -15.417 1.00 0.00 H new ATOM 0 HA LYS A 9 19.059 14.680 -16.352 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.591 13.726 -15.892 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.491 13.610 -17.637 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.515 16.181 -16.537 1.00 0.00 H new ATOM 0 HG3 LYS A 9 22.206 15.859 -16.206 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.216 17.131 -18.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.514 15.488 -18.713 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.248 15.253 -19.549 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.738 16.742 -18.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.151 17.090 -21.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.279 17.972 -20.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.745 16.527 -20.973 1.00 0.00 H new ATOM 164 N ARG A 10 19.187 12.206 -18.525 1.00 0.00 N ATOM 165 CA ARG A 10 18.630 11.660 -19.804 1.00 0.00 C ATOM 166 C ARG A 10 18.023 10.233 -19.731 1.00 0.00 C ATOM 167 O ARG A 10 17.745 9.607 -20.746 1.00 0.00 O ATOM 168 CB ARG A 10 19.643 11.912 -20.952 1.00 0.00 C ATOM 169 CG ARG A 10 20.710 10.840 -21.256 1.00 0.00 C ATOM 170 CD ARG A 10 21.638 10.421 -20.112 1.00 0.00 C ATOM 171 NE ARG A 10 22.705 11.390 -19.784 1.00 0.00 N ATOM 172 CZ ARG A 10 23.736 11.131 -18.986 1.00 0.00 C ATOM 173 NH1 ARG A 10 23.794 10.058 -18.247 1.00 0.00 N ATOM 174 NH2 ARG A 10 24.746 11.938 -18.896 1.00 0.00 N ATOM 0 H ARG A 10 19.845 11.566 -18.081 1.00 0.00 H new ATOM 0 HA ARG A 10 17.724 12.221 -20.034 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.071 12.076 -21.865 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.165 12.843 -20.732 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.197 9.948 -21.617 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.330 11.205 -22.075 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.036 10.251 -19.220 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.100 9.468 -20.370 1.00 0.00 H new ATOM 0 HE ARG A 10 22.646 12.320 -20.198 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.031 9.382 -18.269 1.00 0.00 H new ATOM 0 HH12 ARG A 10 24.603 9.895 -17.647 1.00 0.00 H new ATOM 0 HH21 ARG A 10 24.763 12.797 -19.446 1.00 0.00 H new ATOM 0 HH22 ARG A 10 25.524 11.714 -18.275 1.00 0.00 H new ATOM 188 N ASN A 11 17.873 9.722 -18.505 1.00 0.00 N ATOM 189 CA ASN A 11 17.450 8.361 -18.086 1.00 0.00 C ATOM 190 C ASN A 11 18.182 7.145 -18.669 1.00 0.00 C ATOM 191 O ASN A 11 17.581 6.091 -18.840 1.00 0.00 O ATOM 192 CB ASN A 11 15.919 8.224 -18.000 1.00 0.00 C ATOM 193 CG ASN A 11 15.559 7.521 -16.696 1.00 0.00 C ATOM 194 OD1 ASN A 11 16.097 7.789 -15.644 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.698 6.555 -16.683 1.00 0.00 N ATOM 0 H ASN A 11 18.062 10.304 -17.689 1.00 0.00 H new ATOM 0 HA ASN A 11 17.840 8.303 -17.070 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.450 9.207 -18.040 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.543 7.656 -18.851 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.501 6.059 -15.814 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.217 6.289 -17.542 1.00 0.00 H new ATOM 202 N SER A 12 19.481 7.260 -18.938 1.00 0.00 N ATOM 203 CA SER A 12 20.289 6.155 -19.477 1.00 0.00 C ATOM 204 C SER A 12 20.691 5.146 -18.395 1.00 0.00 C ATOM 205 O SER A 12 20.426 3.955 -18.536 1.00 0.00 O ATOM 206 CB SER A 12 21.509 6.753 -20.175 1.00 0.00 C ATOM 207 OG SER A 12 22.236 7.511 -19.214 1.00 0.00 O ATOM 0 H SER A 12 20.008 8.120 -18.790 1.00 0.00 H new ATOM 0 HA SER A 12 19.693 5.590 -20.194 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.135 5.964 -20.591 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.200 7.387 -21.006 1.00 0.00 H new ATOM 0 HG SER A 12 23.103 7.771 -19.590 1.00 0.00 H new ATOM 213 N CYS A 13 21.314 5.627 -17.316 1.00 0.00 N ATOM 214 CA CYS A 13 21.852 4.836 -16.200 1.00 0.00 C ATOM 215 C CYS A 13 21.402 5.422 -14.844 1.00 0.00 C ATOM 216 O CYS A 13 20.548 6.303 -14.810 1.00 0.00 O ATOM 217 CB CYS A 13 23.382 4.765 -16.410 1.00 0.00 C ATOM 218 SG CYS A 13 24.104 3.404 -15.441 1.00 0.00 S ATOM 0 H CYS A 13 21.466 6.628 -17.188 1.00 0.00 H new ATOM 0 HA CYS A 13 21.464 3.818 -16.180 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.602 4.621 -17.468 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.838 5.710 -16.115 1.00 0.00 H new ATOM 0 HG CYS A 13 25.002 2.792 -16.154 1.00 0.00 H new ATOM 224 N ARG A 14 21.944 4.920 -13.721 1.00 0.00 N ATOM 225 CA ARG A 14 21.511 5.187 -12.321 1.00 0.00 C ATOM 226 C ARG A 14 20.047 4.828 -12.067 1.00 0.00 C ATOM 227 O ARG A 14 19.741 3.730 -11.626 1.00 0.00 O ATOM 228 CB ARG A 14 21.885 6.622 -11.871 1.00 0.00 C ATOM 229 CG ARG A 14 23.401 6.841 -11.767 1.00 0.00 C ATOM 230 CD ARG A 14 23.752 8.219 -11.188 1.00 0.00 C ATOM 231 NE ARG A 14 23.229 9.322 -12.021 1.00 0.00 N ATOM 232 CZ ARG A 14 23.710 9.772 -13.164 1.00 0.00 C ATOM 233 NH1 ARG A 14 24.817 9.332 -13.674 1.00 0.00 N ATOM 234 NH2 ARG A 14 23.055 10.679 -13.820 1.00 0.00 N ATOM 0 H ARG A 14 22.739 4.282 -13.758 1.00 0.00 H new ATOM 0 HA ARG A 14 22.075 4.509 -11.681 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.467 7.339 -12.578 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.427 6.825 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.836 6.064 -11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.849 6.740 -12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.345 8.302 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.835 8.311 -11.104 1.00 0.00 H new ATOM 0 HE ARG A 14 22.395 9.792 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.351 8.611 -13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.154 9.707 -14.561 1.00 0.00 H new ATOM 0 HH21 ARG A 14 22.175 11.039 -13.451 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.420 11.032 -14.704 1.00 0.00 H new ATOM 248 N SER A 15 19.128 5.717 -12.403 1.00 0.00 N ATOM 249 CA SER A 15 17.696 5.631 -12.077 1.00 0.00 C ATOM 250 C SER A 15 17.002 4.421 -12.701 1.00 0.00 C ATOM 251 O SER A 15 16.098 3.854 -12.096 1.00 0.00 O ATOM 252 CB SER A 15 17.061 6.952 -12.505 1.00 0.00 C ATOM 253 OG SER A 15 17.852 7.954 -11.907 1.00 0.00 O ATOM 0 H SER A 15 19.359 6.557 -12.933 1.00 0.00 H new ATOM 0 HA SER A 15 17.574 5.476 -11.005 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.054 7.052 -13.590 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.025 7.017 -12.172 1.00 0.00 H new ATOM 0 HG SER A 15 17.315 8.764 -11.784 1.00 0.00 H new ATOM 259 N GLN A 16 17.462 3.951 -13.863 1.00 0.00 N ATOM 260 CA GLN A 16 16.954 2.711 -14.486 1.00 0.00 C ATOM 261 C GLN A 16 17.352 1.460 -13.670 1.00 0.00 C ATOM 262 O GLN A 16 16.550 0.536 -13.547 1.00 0.00 O ATOM 263 CB GLN A 16 17.483 2.614 -15.933 1.00 0.00 C ATOM 264 CG GLN A 16 16.990 3.726 -16.884 1.00 0.00 C ATOM 265 CD GLN A 16 15.565 3.539 -17.412 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.778 2.761 -16.896 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.187 4.232 -18.467 1.00 0.00 N ATOM 0 H GLN A 16 18.195 4.412 -14.403 1.00 0.00 H new ATOM 0 HA GLN A 16 15.865 2.749 -14.500 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.573 2.635 -15.908 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.192 1.648 -16.346 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.046 4.681 -16.362 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.671 3.786 -17.733 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.835 4.885 -18.907 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.246 4.115 -18.844 1.00 0.00 H new ATOM 276 N MET A 17 18.547 1.455 -13.051 1.00 0.00 N ATOM 277 CA MET A 17 18.977 0.422 -12.086 1.00 0.00 C ATOM 278 C MET A 17 18.200 0.528 -10.771 1.00 0.00 C ATOM 279 O MET A 17 17.888 -0.491 -10.166 1.00 0.00 O ATOM 280 CB MET A 17 20.487 0.529 -11.767 1.00 0.00 C ATOM 281 CG MET A 17 21.443 0.306 -12.941 1.00 0.00 C ATOM 282 SD MET A 17 23.168 0.458 -12.404 1.00 0.00 S ATOM 283 CE MET A 17 24.003 -0.270 -13.830 1.00 0.00 C ATOM 0 H MET A 17 19.251 2.176 -13.208 1.00 0.00 H new ATOM 0 HA MET A 17 18.773 -0.539 -12.559 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.680 1.518 -11.351 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.725 -0.196 -10.989 1.00 0.00 H new ATOM 0 HG2 MET A 17 21.276 -0.683 -13.369 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.237 1.032 -13.727 1.00 0.00 H new ATOM 0 HE1 MET A 17 25.081 -0.257 -13.666 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.668 -1.299 -13.961 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.765 0.306 -14.724 1.00 0.00 H new ATOM 293 N ALA A 18 17.838 1.742 -10.340 1.00 0.00 N ATOM 294 CA ALA A 18 17.041 1.959 -9.126 1.00 0.00 C ATOM 295 C ALA A 18 15.657 1.315 -9.261 1.00 0.00 C ATOM 296 O ALA A 18 15.218 0.609 -8.359 1.00 0.00 O ATOM 297 CB ALA A 18 16.961 3.466 -8.843 1.00 0.00 C ATOM 0 H ALA A 18 18.090 2.604 -10.824 1.00 0.00 H new ATOM 0 HA ALA A 18 17.522 1.477 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.371 3.636 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.966 3.863 -8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.490 3.970 -9.687 1.00 0.00 H new ATOM 303 N GLU A 19 15.027 1.443 -10.433 1.00 0.00 N ATOM 304 CA GLU A 19 13.808 0.688 -10.747 1.00 0.00 C ATOM 305 C GLU A 19 14.072 -0.823 -10.752 1.00 0.00 C ATOM 306 O GLU A 19 13.302 -1.561 -10.146 1.00 0.00 O ATOM 307 CB GLU A 19 13.204 1.160 -12.079 1.00 0.00 C ATOM 308 CG GLU A 19 11.711 0.813 -12.150 1.00 0.00 C ATOM 309 CD GLU A 19 11.177 0.791 -13.593 1.00 0.00 C ATOM 310 OE1 GLU A 19 11.046 1.878 -14.206 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.863 -0.318 -14.091 1.00 0.00 O ATOM 0 H GLU A 19 15.340 2.062 -11.181 1.00 0.00 H new ATOM 0 HA GLU A 19 13.078 0.884 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.338 2.237 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.731 0.691 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.546 -0.162 -11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.145 1.540 -11.568 1.00 0.00 H new ATOM 318 N GLY A 20 15.184 -1.281 -11.339 1.00 0.00 N ATOM 319 CA GLY A 20 15.601 -2.695 -11.341 1.00 0.00 C ATOM 320 C GLY A 20 15.717 -3.322 -9.952 1.00 0.00 C ATOM 321 O GLY A 20 15.159 -4.390 -9.701 1.00 0.00 O ATOM 0 H GLY A 20 15.833 -0.671 -11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.885 -3.271 -11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.564 -2.776 -11.844 1.00 0.00 H new ATOM 325 N PHE A 21 16.380 -2.655 -9.007 1.00 0.00 N ATOM 326 CA PHE A 21 16.446 -3.144 -7.624 1.00 0.00 C ATOM 327 C PHE A 21 15.106 -3.026 -6.917 1.00 0.00 C ATOM 328 O PHE A 21 14.656 -3.982 -6.298 1.00 0.00 O ATOM 329 CB PHE A 21 17.560 -2.418 -6.864 1.00 0.00 C ATOM 330 CG PHE A 21 18.926 -2.875 -7.314 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.314 -4.207 -7.096 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.792 -1.991 -7.977 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.572 -4.652 -7.519 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.048 -2.438 -8.413 1.00 0.00 C ATOM 335 CZ PHE A 21 21.440 -3.772 -8.182 1.00 0.00 C ATOM 0 H PHE A 21 16.877 -1.779 -9.169 1.00 0.00 H new ATOM 0 HA PHE A 21 16.686 -4.207 -7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.466 -1.343 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.449 -2.598 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.640 -4.890 -6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.492 -0.968 -8.151 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.874 -5.672 -7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.715 -1.760 -8.926 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.408 -4.116 -8.515 1.00 0.00 H new ATOM 345 N ALA A 22 14.422 -1.892 -7.041 1.00 0.00 N ATOM 346 CA ALA A 22 13.161 -1.668 -6.336 1.00 0.00 C ATOM 347 C ALA A 22 12.037 -2.611 -6.798 1.00 0.00 C ATOM 348 O ALA A 22 11.332 -3.157 -5.957 1.00 0.00 O ATOM 349 CB ALA A 22 12.798 -0.189 -6.482 1.00 0.00 C ATOM 0 H ALA A 22 14.720 -1.111 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 22 13.288 -1.909 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.859 0.008 -5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.587 0.424 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.688 0.056 -7.538 1.00 0.00 H new ATOM 355 N LYS A 23 11.909 -2.898 -8.101 1.00 0.00 N ATOM 356 CA LYS A 23 10.865 -3.804 -8.633 1.00 0.00 C ATOM 357 C LYS A 23 11.056 -5.265 -8.203 1.00 0.00 C ATOM 358 O LYS A 23 10.093 -6.021 -8.104 1.00 0.00 O ATOM 359 CB LYS A 23 10.765 -3.641 -10.161 1.00 0.00 C ATOM 360 CG LYS A 23 11.916 -4.272 -10.968 1.00 0.00 C ATOM 361 CD LYS A 23 12.084 -3.656 -12.369 1.00 0.00 C ATOM 362 CE LYS A 23 10.920 -3.938 -13.327 1.00 0.00 C ATOM 363 NZ LYS A 23 11.002 -3.059 -14.528 1.00 0.00 N ATOM 0 H LYS A 23 12.522 -2.513 -8.820 1.00 0.00 H new ATOM 0 HA LYS A 23 9.912 -3.512 -8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.825 -4.080 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.721 -2.577 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.847 -4.155 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.737 -5.342 -11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.202 -2.577 -12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.004 -4.037 -12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.940 -4.984 -13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.972 -3.774 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.496 -3.505 -15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.568 -2.138 -14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.999 -2.920 -14.789 1.00 0.00 H new ATOM 377 N THR A 24 12.305 -5.625 -7.908 1.00 0.00 N ATOM 378 CA THR A 24 12.719 -6.944 -7.392 1.00 0.00 C ATOM 379 C THR A 24 12.621 -7.036 -5.859 1.00 0.00 C ATOM 380 O THR A 24 11.937 -7.910 -5.332 1.00 0.00 O ATOM 381 CB THR A 24 14.152 -7.272 -7.843 1.00 0.00 C ATOM 382 OG1 THR A 24 14.292 -7.094 -9.235 1.00 0.00 O ATOM 383 CG2 THR A 24 14.547 -8.718 -7.542 1.00 0.00 C ATOM 0 H THR A 24 13.092 -4.986 -8.024 1.00 0.00 H new ATOM 0 HA THR A 24 12.026 -7.676 -7.808 1.00 0.00 H new ATOM 0 HB THR A 24 14.796 -6.592 -7.286 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.586 -6.177 -9.420 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.568 -8.894 -7.881 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.485 -8.896 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.870 -9.396 -8.062 1.00 0.00 H new ATOM 391 N LEU A 25 13.295 -6.135 -5.132 1.00 0.00 N ATOM 392 CA LEU A 25 13.459 -6.179 -3.663 1.00 0.00 C ATOM 393 C LEU A 25 12.233 -5.618 -2.925 1.00 0.00 C ATOM 394 O LEU A 25 11.898 -6.058 -1.828 1.00 0.00 O ATOM 395 CB LEU A 25 14.745 -5.408 -3.270 1.00 0.00 C ATOM 396 CG LEU A 25 16.029 -5.901 -3.964 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.195 -5.019 -3.538 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.366 -7.351 -3.608 1.00 0.00 C ATOM 0 H LEU A 25 13.756 -5.330 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 25 13.551 -7.222 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.605 -4.352 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.881 -5.481 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 25 15.859 -5.847 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.108 -5.362 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.995 -3.987 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.318 -5.076 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.279 -7.649 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.512 -7.437 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.547 -8.001 -3.916 1.00 0.00 H new ATOM 410 N GLY A 26 11.548 -4.658 -3.555 1.00 0.00 N ATOM 411 CA GLY A 26 10.306 -4.039 -3.094 1.00 0.00 C ATOM 412 C GLY A 26 9.041 -4.651 -3.684 1.00 0.00 C ATOM 413 O GLY A 26 7.977 -4.060 -3.527 1.00 0.00 O ATOM 0 H GLY A 26 11.863 -4.274 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.259 -4.114 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.330 -2.977 -3.340 1.00 0.00 H new ATOM 417 N ALA A 27 9.118 -5.799 -4.363 1.00 0.00 N ATOM 418 CA ALA A 27 7.959 -6.452 -4.991 1.00 0.00 C ATOM 419 C ALA A 27 6.779 -6.635 -4.008 1.00 0.00 C ATOM 420 O ALA A 27 6.883 -7.365 -3.019 1.00 0.00 O ATOM 421 CB ALA A 27 8.411 -7.798 -5.576 1.00 0.00 C ATOM 0 H ALA A 27 9.992 -6.308 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 27 7.586 -5.808 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.562 -8.294 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.189 -7.628 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.804 -8.428 -4.778 1.00 0.00 H new ATOM 427 N GLY A 28 5.664 -5.936 -4.259 1.00 0.00 N ATOM 428 CA GLY A 28 4.461 -5.927 -3.406 1.00 0.00 C ATOM 429 C GLY A 28 4.524 -4.959 -2.211 1.00 0.00 C ATOM 430 O GLY A 28 3.482 -4.542 -1.701 1.00 0.00 O ATOM 0 H GLY A 28 5.568 -5.343 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.599 -5.668 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.292 -6.936 -3.030 1.00 0.00 H new ATOM 434 N LYS A 29 5.730 -4.536 -1.806 1.00 0.00 N ATOM 435 CA LYS A 29 5.956 -3.453 -0.831 1.00 0.00 C ATOM 436 C LYS A 29 5.733 -2.091 -1.484 1.00 0.00 C ATOM 437 O LYS A 29 5.179 -1.195 -0.858 1.00 0.00 O ATOM 438 CB LYS A 29 7.384 -3.560 -0.257 1.00 0.00 C ATOM 439 CG LYS A 29 7.568 -4.804 0.628 1.00 0.00 C ATOM 440 CD LYS A 29 9.039 -5.088 0.993 1.00 0.00 C ATOM 441 CE LYS A 29 9.696 -4.031 1.905 1.00 0.00 C ATOM 442 NZ LYS A 29 9.210 -4.110 3.316 1.00 0.00 N ATOM 0 H LYS A 29 6.597 -4.945 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 29 5.242 -3.554 -0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.101 -3.592 -1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.606 -2.666 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.993 -4.676 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.156 -5.671 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.095 -6.058 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.619 -5.164 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.778 -4.164 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.491 -3.036 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.781 -3.202 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.500 -4.866 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.010 -4.317 3.948 1.00 0.00 H new ATOM 456 N ILE A 30 6.157 -1.933 -2.740 1.00 0.00 N ATOM 457 CA ILE A 30 6.065 -0.684 -3.512 1.00 0.00 C ATOM 458 C ILE A 30 5.791 -0.913 -5.011 1.00 0.00 C ATOM 459 O ILE A 30 5.836 -2.037 -5.510 1.00 0.00 O ATOM 460 CB ILE A 30 7.353 0.165 -3.314 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.710 -0.505 -3.618 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.473 0.657 -1.867 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.907 -1.040 -5.035 1.00 0.00 C ATOM 0 H ILE A 30 6.588 -2.692 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 30 5.204 -0.139 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 30 7.199 0.951 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.500 0.218 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.846 -1.331 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.383 1.248 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.608 1.273 -1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.513 -0.199 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.898 -1.486 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.150 -1.795 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.814 -0.222 -5.749 1.00 0.00 H new ATOM 475 N ALA A 31 5.524 0.183 -5.724 1.00 0.00 N ATOM 476 CA ALA A 31 5.472 0.250 -7.193 1.00 0.00 C ATOM 477 C ALA A 31 6.435 1.360 -7.662 1.00 0.00 C ATOM 478 O ALA A 31 6.607 2.361 -6.963 1.00 0.00 O ATOM 479 CB ALA A 31 4.028 0.429 -7.676 1.00 0.00 C ATOM 0 H ALA A 31 5.331 1.082 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 31 5.806 -0.686 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.012 0.476 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.425 -0.415 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.619 1.353 -7.267 1.00 0.00 H new ATOM 485 N VAL A 32 7.108 1.186 -8.807 1.00 0.00 N ATOM 486 CA VAL A 32 8.210 2.058 -9.231 1.00 0.00 C ATOM 487 C VAL A 32 8.233 2.414 -10.712 1.00 0.00 C ATOM 488 O VAL A 32 7.860 1.614 -11.571 1.00 0.00 O ATOM 489 CB VAL A 32 9.559 1.434 -8.844 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.960 1.946 -7.464 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.621 -0.099 -8.901 1.00 0.00 C ATOM 0 H VAL A 32 6.903 0.435 -9.466 1.00 0.00 H new ATOM 0 HA VAL A 32 8.036 2.996 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 32 10.271 1.752 -9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.917 1.510 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.050 3.032 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.200 1.663 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.616 -0.434 -8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.882 -0.519 -8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.408 -0.434 -9.916 1.00 0.00 H new ATOM 501 N THR A 33 8.762 3.612 -10.976 1.00 0.00 N ATOM 502 CA THR A 33 8.945 4.190 -12.318 1.00 0.00 C ATOM 503 C THR A 33 10.298 4.910 -12.399 1.00 0.00 C ATOM 504 O THR A 33 10.797 5.420 -11.390 1.00 0.00 O ATOM 505 CB THR A 33 7.790 5.162 -12.644 1.00 0.00 C ATOM 506 OG1 THR A 33 6.535 4.582 -12.329 1.00 0.00 O ATOM 507 CG2 THR A 33 7.709 5.534 -14.124 1.00 0.00 C ATOM 0 H THR A 33 9.088 4.233 -10.235 1.00 0.00 H new ATOM 0 HA THR A 33 8.934 3.387 -13.055 1.00 0.00 H new ATOM 0 HB THR A 33 8.002 6.049 -12.047 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.819 5.216 -12.542 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.876 6.219 -14.282 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.638 6.016 -14.429 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.555 4.633 -14.718 1.00 0.00 H new ATOM 515 N SER A 34 10.907 4.969 -13.584 1.00 0.00 N ATOM 516 CA SER A 34 12.149 5.696 -13.860 1.00 0.00 C ATOM 517 C SER A 34 11.948 6.799 -14.911 1.00 0.00 C ATOM 518 O SER A 34 11.165 6.636 -15.849 1.00 0.00 O ATOM 519 CB SER A 34 13.194 4.688 -14.314 1.00 0.00 C ATOM 520 OG SER A 34 14.466 5.268 -14.129 1.00 0.00 O ATOM 0 H SER A 34 10.537 4.495 -14.408 1.00 0.00 H new ATOM 0 HA SER A 34 12.482 6.200 -12.953 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.108 3.765 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.042 4.427 -15.361 1.00 0.00 H new ATOM 0 HG SER A 34 14.364 6.218 -13.912 1.00 0.00 H new ATOM 526 N CYS A 35 12.655 7.924 -14.767 1.00 0.00 N ATOM 527 CA CYS A 35 12.437 9.147 -15.539 1.00 0.00 C ATOM 528 C CYS A 35 13.701 9.988 -15.679 1.00 0.00 C ATOM 529 O CYS A 35 14.574 9.969 -14.826 1.00 0.00 O ATOM 530 CB CYS A 35 11.358 9.936 -14.776 1.00 0.00 C ATOM 531 SG CYS A 35 11.090 11.613 -15.390 1.00 0.00 S ATOM 0 H CYS A 35 13.415 8.009 -14.092 1.00 0.00 H new ATOM 0 HA CYS A 35 12.135 8.898 -16.556 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.418 9.387 -14.829 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.638 9.987 -13.724 1.00 0.00 H new ATOM 0 HG CYS A 35 10.325 12.261 -14.563 1.00 0.00 H new ATOM 537 N GLY A 36 13.794 10.795 -16.731 1.00 0.00 N ATOM 538 CA GLY A 36 14.838 11.813 -16.862 1.00 0.00 C ATOM 539 C GLY A 36 14.234 13.201 -17.038 1.00 0.00 C ATOM 540 O GLY A 36 13.046 13.310 -17.312 1.00 0.00 O ATOM 0 H GLY A 36 13.148 10.764 -17.520 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.475 11.800 -15.978 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.473 11.579 -17.716 1.00 0.00 H new ATOM 544 N LEU A 37 14.997 14.286 -16.877 1.00 0.00 N ATOM 545 CA LEU A 37 14.474 15.609 -17.281 1.00 0.00 C ATOM 546 C LEU A 37 14.278 15.611 -18.808 1.00 0.00 C ATOM 547 O LEU A 37 13.296 16.122 -19.343 1.00 0.00 O ATOM 548 CB LEU A 37 15.401 16.768 -16.884 1.00 0.00 C ATOM 549 CG LEU A 37 16.085 16.648 -15.518 1.00 0.00 C ATOM 550 CD1 LEU A 37 16.941 17.884 -15.274 1.00 0.00 C ATOM 551 CD2 LEU A 37 15.090 16.507 -14.365 1.00 0.00 C ATOM 0 H LEU A 37 15.940 14.287 -16.488 1.00 0.00 H new ATOM 0 HA LEU A 37 13.531 15.767 -16.758 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.173 16.866 -17.647 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.821 17.691 -16.897 1.00 0.00 H new ATOM 0 HG LEU A 37 16.692 15.743 -15.544 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.429 17.802 -14.303 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.697 17.963 -16.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.310 18.773 -15.289 1.00 0.00 H new ATOM 0 HD21 LEU A 37 15.633 16.426 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.441 17.382 -14.335 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.486 15.612 -14.513 1.00 0.00 H new ATOM 563 N GLU A 38 15.236 14.959 -19.467 1.00 0.00 N ATOM 564 CA GLU A 38 15.234 14.586 -20.882 1.00 0.00 C ATOM 565 C GLU A 38 15.221 13.052 -21.010 1.00 0.00 C ATOM 566 O GLU A 38 15.359 12.329 -20.020 1.00 0.00 O ATOM 567 CB GLU A 38 16.455 15.193 -21.598 1.00 0.00 C ATOM 568 CG GLU A 38 16.507 16.719 -21.482 1.00 0.00 C ATOM 569 CD GLU A 38 17.546 17.311 -22.452 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.753 17.329 -22.108 1.00 0.00 O ATOM 571 OE2 GLU A 38 17.167 17.760 -23.562 1.00 0.00 O ATOM 0 H GLU A 38 16.089 14.658 -18.996 1.00 0.00 H new ATOM 0 HA GLU A 38 14.338 14.982 -21.360 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.366 14.769 -21.177 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.430 14.913 -22.651 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.524 17.137 -21.697 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.757 17.001 -20.459 1.00 0.00 H new ATOM 578 N SER A 39 15.082 12.529 -22.227 1.00 0.00 N ATOM 579 CA SER A 39 15.015 11.083 -22.486 1.00 0.00 C ATOM 580 C SER A 39 15.629 10.702 -23.836 1.00 0.00 C ATOM 581 O SER A 39 15.394 11.374 -24.842 1.00 0.00 O ATOM 582 CB SER A 39 13.558 10.619 -22.422 1.00 0.00 C ATOM 583 OG SER A 39 12.683 11.437 -23.188 1.00 0.00 O ATOM 0 H SER A 39 15.012 13.097 -23.071 1.00 0.00 H new ATOM 0 HA SER A 39 15.602 10.582 -21.716 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.493 9.592 -22.780 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.228 10.616 -21.383 1.00 0.00 H new ATOM 0 HG SER A 39 12.025 10.873 -23.646 1.00 0.00 H new ATOM 589 N SER A 40 16.375 9.591 -23.864 1.00 0.00 N ATOM 590 CA SER A 40 16.850 8.974 -25.117 1.00 0.00 C ATOM 591 C SER A 40 16.551 7.468 -25.167 1.00 0.00 C ATOM 592 O SER A 40 15.641 7.045 -25.880 1.00 0.00 O ATOM 593 CB SER A 40 18.323 9.320 -25.371 1.00 0.00 C ATOM 594 OG SER A 40 19.150 8.817 -24.332 1.00 0.00 O ATOM 0 H SER A 40 16.668 9.093 -23.024 1.00 0.00 H new ATOM 0 HA SER A 40 16.286 9.402 -25.946 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.639 8.902 -26.327 1.00 0.00 H new ATOM 0 HB3 SER A 40 18.439 10.401 -25.442 1.00 0.00 H new ATOM 0 HG SER A 40 19.739 9.530 -24.008 1.00 0.00 H new ATOM 600 N ARG A 41 17.287 6.665 -24.382 1.00 0.00 N ATOM 601 CA ARG A 41 17.183 5.189 -24.289 1.00 0.00 C ATOM 602 C ARG A 41 17.846 4.659 -23.015 1.00 0.00 C ATOM 603 O ARG A 41 18.731 5.322 -22.481 1.00 0.00 O ATOM 604 CB ARG A 41 17.807 4.533 -25.553 1.00 0.00 C ATOM 605 CG ARG A 41 19.345 4.589 -25.724 1.00 0.00 C ATOM 606 CD ARG A 41 19.946 6.001 -25.671 1.00 0.00 C ATOM 607 NE ARG A 41 21.375 6.021 -26.039 1.00 0.00 N ATOM 608 CZ ARG A 41 22.208 7.033 -25.871 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.841 8.158 -25.318 1.00 0.00 N ATOM 610 NH2 ARG A 41 23.447 6.931 -26.262 1.00 0.00 N ATOM 0 H ARG A 41 18.007 7.039 -23.763 1.00 0.00 H new ATOM 0 HA ARG A 41 16.127 4.924 -24.238 1.00 0.00 H new ATOM 0 HB2 ARG A 41 17.509 3.485 -25.565 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.358 5.003 -26.428 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.806 3.983 -24.944 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.608 4.133 -26.678 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.391 6.654 -26.345 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.827 6.405 -24.666 1.00 0.00 H new ATOM 0 HE ARG A 41 21.755 5.175 -26.463 1.00 0.00 H new ATOM 0 HH11 ARG A 41 20.880 8.279 -24.997 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.515 8.915 -25.207 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.775 6.069 -26.698 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.089 7.713 -26.132 1.00 0.00 H new ATOM 624 N VAL A 42 17.459 3.475 -22.534 1.00 0.00 N ATOM 625 CA VAL A 42 18.221 2.803 -21.449 1.00 0.00 C ATOM 626 C VAL A 42 19.633 2.512 -21.963 1.00 0.00 C ATOM 627 O VAL A 42 19.787 2.044 -23.092 1.00 0.00 O ATOM 628 CB VAL A 42 17.598 1.477 -20.959 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.240 1.030 -19.641 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.098 1.594 -20.723 1.00 0.00 C ATOM 0 H VAL A 42 16.641 2.961 -22.862 1.00 0.00 H new ATOM 0 HA VAL A 42 18.213 3.482 -20.596 1.00 0.00 H new ATOM 0 HB VAL A 42 17.782 0.749 -21.749 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.786 0.094 -19.314 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.310 0.882 -19.789 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.081 1.795 -18.881 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.708 0.636 -20.380 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.907 2.355 -19.967 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.604 1.875 -21.653 1.00 0.00 H new ATOM 640 N HIS A 43 20.663 2.762 -21.149 1.00 0.00 N ATOM 641 CA HIS A 43 22.035 2.398 -21.521 1.00 0.00 C ATOM 642 C HIS A 43 22.138 0.875 -21.670 1.00 0.00 C ATOM 643 O HIS A 43 21.784 0.163 -20.729 1.00 0.00 O ATOM 644 CB HIS A 43 23.038 2.921 -20.485 1.00 0.00 C ATOM 645 CG HIS A 43 24.424 2.973 -21.053 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.305 1.898 -21.151 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.991 4.072 -21.621 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.409 2.389 -21.748 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.237 3.687 -22.052 1.00 0.00 N ATOM 0 H HIS A 43 20.576 3.210 -20.237 1.00 0.00 H new ATOM 0 HA HIS A 43 22.281 2.862 -22.476 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.739 3.916 -20.155 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.026 2.277 -19.606 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.549 5.053 -21.714 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.304 1.821 -21.953 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.916 4.285 -22.523 1.00 0.00 H new ATOM 657 N PRO A 44 22.612 0.337 -22.804 1.00 0.00 N ATOM 658 CA PRO A 44 22.504 -1.096 -23.043 1.00 0.00 C ATOM 659 C PRO A 44 23.446 -1.903 -22.126 1.00 0.00 C ATOM 660 O PRO A 44 23.153 -3.052 -21.799 1.00 0.00 O ATOM 661 CB PRO A 44 22.829 -1.259 -24.532 1.00 0.00 C ATOM 662 CG PRO A 44 23.781 -0.099 -24.823 1.00 0.00 C ATOM 663 CD PRO A 44 23.219 1.016 -23.944 1.00 0.00 C ATOM 0 HA PRO A 44 21.514 -1.487 -22.808 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.297 -2.222 -24.737 1.00 0.00 H new ATOM 0 HB3 PRO A 44 21.930 -1.204 -25.147 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.810 -0.343 -24.561 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.777 0.175 -25.878 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.006 1.698 -23.622 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.483 1.611 -24.485 1.00 0.00 H new ATOM 671 N THR A 45 24.531 -1.293 -21.629 1.00 0.00 N ATOM 672 CA THR A 45 25.431 -1.906 -20.633 1.00 0.00 C ATOM 673 C THR A 45 24.781 -1.987 -19.249 1.00 0.00 C ATOM 674 O THR A 45 25.058 -2.916 -18.495 1.00 0.00 O ATOM 675 CB THR A 45 26.768 -1.153 -20.582 1.00 0.00 C ATOM 676 OG1 THR A 45 27.333 -1.130 -21.883 1.00 0.00 O ATOM 677 CG2 THR A 45 27.788 -1.809 -19.657 1.00 0.00 C ATOM 0 H THR A 45 24.814 -0.353 -21.907 1.00 0.00 H new ATOM 0 HA THR A 45 25.627 -2.931 -20.948 1.00 0.00 H new ATOM 0 HB THR A 45 26.551 -0.154 -20.202 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.187 -0.649 -21.860 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.711 -1.230 -19.664 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.390 -1.844 -18.643 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.993 -2.823 -20.002 1.00 0.00 H new ATOM 685 N ALA A 46 23.824 -1.111 -18.917 1.00 0.00 N ATOM 686 CA ALA A 46 23.073 -1.211 -17.659 1.00 0.00 C ATOM 687 C ALA A 46 22.269 -2.518 -17.570 1.00 0.00 C ATOM 688 O ALA A 46 22.243 -3.140 -16.513 1.00 0.00 O ATOM 689 CB ALA A 46 22.160 0.008 -17.519 1.00 0.00 C ATOM 0 H ALA A 46 23.551 -0.323 -19.504 1.00 0.00 H new ATOM 0 HA ALA A 46 23.784 -1.228 -16.833 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.600 -0.062 -16.586 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.763 0.916 -17.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.465 0.040 -18.358 1.00 0.00 H new ATOM 695 N ILE A 47 21.686 -2.989 -18.681 1.00 0.00 N ATOM 696 CA ILE A 47 21.023 -4.307 -18.751 1.00 0.00 C ATOM 697 C ILE A 47 22.027 -5.400 -18.353 1.00 0.00 C ATOM 698 O ILE A 47 21.741 -6.205 -17.468 1.00 0.00 O ATOM 699 CB ILE A 47 20.423 -4.576 -20.159 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.144 -3.769 -20.479 1.00 0.00 C ATOM 701 CG2 ILE A 47 20.050 -6.059 -20.336 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.282 -2.244 -20.496 1.00 0.00 C ATOM 0 H ILE A 47 21.659 -2.470 -19.559 1.00 0.00 H new ATOM 0 HA ILE A 47 20.187 -4.316 -18.051 1.00 0.00 H new ATOM 0 HB ILE A 47 21.217 -4.264 -20.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.774 -4.089 -21.453 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.382 -4.034 -19.746 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.633 -6.213 -21.331 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.941 -6.675 -20.216 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.311 -6.340 -19.586 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.318 -1.794 -20.732 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.614 -1.898 -19.517 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.013 -1.953 -21.251 1.00 0.00 H new ATOM 714 N ALA A 48 23.235 -5.370 -18.925 1.00 0.00 N ATOM 715 CA ALA A 48 24.266 -6.376 -18.654 1.00 0.00 C ATOM 716 C ALA A 48 24.741 -6.353 -17.190 1.00 0.00 C ATOM 717 O ALA A 48 24.977 -7.394 -16.580 1.00 0.00 O ATOM 718 CB ALA A 48 25.435 -6.160 -19.619 1.00 0.00 C ATOM 0 H ALA A 48 23.525 -4.650 -19.587 1.00 0.00 H new ATOM 0 HA ALA A 48 23.834 -7.364 -18.813 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.208 -6.904 -19.426 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.083 -6.261 -20.646 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.847 -5.162 -19.473 1.00 0.00 H new ATOM 724 N MET A 49 24.820 -5.157 -16.605 1.00 0.00 N ATOM 725 CA MET A 49 25.225 -4.940 -15.218 1.00 0.00 C ATOM 726 C MET A 49 24.135 -5.325 -14.219 1.00 0.00 C ATOM 727 O MET A 49 24.471 -5.742 -13.112 1.00 0.00 O ATOM 728 CB MET A 49 25.656 -3.477 -15.065 1.00 0.00 C ATOM 729 CG MET A 49 27.087 -3.206 -15.538 1.00 0.00 C ATOM 730 SD MET A 49 27.757 -4.083 -16.980 1.00 0.00 S ATOM 731 CE MET A 49 28.798 -5.312 -16.155 1.00 0.00 C ATOM 0 H MET A 49 24.598 -4.291 -17.096 1.00 0.00 H new ATOM 0 HA MET A 49 26.065 -5.596 -14.987 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.970 -2.844 -15.628 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.568 -3.189 -14.017 1.00 0.00 H new ATOM 0 HG2 MET A 49 27.161 -2.139 -15.746 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.749 -3.414 -14.698 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.529 -5.704 -16.863 1.00 0.00 H new ATOM 0 HE2 MET A 49 29.317 -4.846 -15.318 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.176 -6.128 -15.787 1.00 0.00 H new ATOM 741 N MET A 50 22.855 -5.242 -14.586 1.00 0.00 N ATOM 742 CA MET A 50 21.766 -5.796 -13.775 1.00 0.00 C ATOM 743 C MET A 50 21.683 -7.326 -13.926 1.00 0.00 C ATOM 744 O MET A 50 21.392 -8.021 -12.952 1.00 0.00 O ATOM 745 CB MET A 50 20.438 -5.112 -14.135 1.00 0.00 C ATOM 746 CG MET A 50 20.413 -3.618 -13.766 1.00 0.00 C ATOM 747 SD MET A 50 20.846 -3.180 -12.055 1.00 0.00 S ATOM 748 CE MET A 50 19.697 -4.238 -11.147 1.00 0.00 C ATOM 0 H MET A 50 22.544 -4.793 -15.447 1.00 0.00 H new ATOM 0 HA MET A 50 21.974 -5.593 -12.724 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.258 -5.220 -15.205 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.622 -5.621 -13.622 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.097 -3.093 -14.433 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.413 -3.236 -13.970 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.324 -3.704 -10.273 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.861 -4.506 -11.793 1.00 0.00 H new ATOM 0 HE3 MET A 50 20.212 -5.143 -10.826 1.00 0.00 H new ATOM 758 N GLU A 51 22.057 -7.880 -15.085 1.00 0.00 N ATOM 759 CA GLU A 51 22.145 -9.334 -15.260 1.00 0.00 C ATOM 760 C GLU A 51 23.261 -9.979 -14.412 1.00 0.00 C ATOM 761 O GLU A 51 23.139 -11.157 -14.072 1.00 0.00 O ATOM 762 CB GLU A 51 22.308 -9.710 -16.741 1.00 0.00 C ATOM 763 CG GLU A 51 21.005 -9.584 -17.534 1.00 0.00 C ATOM 764 CD GLU A 51 21.199 -10.114 -18.967 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.894 -9.459 -19.783 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.667 -11.207 -19.288 1.00 0.00 O ATOM 0 H GLU A 51 22.304 -7.343 -15.916 1.00 0.00 H new ATOM 0 HA GLU A 51 21.199 -9.737 -14.898 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.065 -9.069 -17.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.673 -10.734 -16.813 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.213 -10.143 -17.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.689 -8.541 -17.564 1.00 0.00 H new ATOM 773 N GLU A 52 24.297 -9.236 -13.981 1.00 0.00 N ATOM 774 CA GLU A 52 25.308 -9.783 -13.050 1.00 0.00 C ATOM 775 C GLU A 52 24.714 -10.148 -11.675 1.00 0.00 C ATOM 776 O GLU A 52 25.222 -11.041 -10.994 1.00 0.00 O ATOM 777 CB GLU A 52 26.450 -8.790 -12.806 1.00 0.00 C ATOM 778 CG GLU A 52 27.280 -8.409 -14.037 1.00 0.00 C ATOM 779 CD GLU A 52 28.637 -7.815 -13.607 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.660 -6.944 -12.700 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.692 -8.228 -14.142 1.00 0.00 O ATOM 0 H GLU A 52 24.458 -8.267 -14.257 1.00 0.00 H new ATOM 0 HA GLU A 52 25.682 -10.684 -13.537 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.029 -7.879 -12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 52 27.120 -9.213 -12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.442 -9.288 -14.661 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.734 -7.685 -14.642 1.00 0.00 H new ATOM 788 N VAL A 53 23.628 -9.468 -11.277 1.00 0.00 N ATOM 789 CA VAL A 53 22.876 -9.712 -10.031 1.00 0.00 C ATOM 790 C VAL A 53 21.550 -10.461 -10.277 1.00 0.00 C ATOM 791 O VAL A 53 20.727 -10.586 -9.369 1.00 0.00 O ATOM 792 CB VAL A 53 22.696 -8.413 -9.212 1.00 0.00 C ATOM 793 CG1 VAL A 53 24.049 -7.846 -8.763 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.963 -7.311 -9.986 1.00 0.00 C ATOM 0 H VAL A 53 23.234 -8.707 -11.830 1.00 0.00 H new ATOM 0 HA VAL A 53 23.478 -10.383 -9.419 1.00 0.00 H new ATOM 0 HB VAL A 53 22.092 -8.701 -8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.889 -6.933 -8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.563 -8.579 -8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.658 -7.622 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.868 -6.426 -9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.528 -7.060 -10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.971 -7.663 -10.268 1.00 0.00 H new ATOM 804 N GLY A 54 21.347 -10.978 -11.497 1.00 0.00 N ATOM 805 CA GLY A 54 20.170 -11.768 -11.883 1.00 0.00 C ATOM 806 C GLY A 54 18.863 -10.972 -12.009 1.00 0.00 C ATOM 807 O GLY A 54 17.783 -11.557 -11.910 1.00 0.00 O ATOM 0 H GLY A 54 22.012 -10.855 -12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.375 -12.253 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 54 20.026 -12.559 -11.147 1.00 0.00 H new ATOM 811 N ILE A 55 18.947 -9.651 -12.215 1.00 0.00 N ATOM 812 CA ILE A 55 17.804 -8.737 -12.384 1.00 0.00 C ATOM 813 C ILE A 55 17.720 -8.292 -13.851 1.00 0.00 C ATOM 814 O ILE A 55 18.741 -8.083 -14.506 1.00 0.00 O ATOM 815 CB ILE A 55 17.927 -7.548 -11.400 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.803 -8.054 -9.942 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.882 -6.451 -11.675 1.00 0.00 C ATOM 818 CD1 ILE A 55 17.942 -6.968 -8.864 1.00 0.00 C ATOM 0 H ILE A 55 19.845 -9.170 -12.271 1.00 0.00 H new ATOM 0 HA ILE A 55 16.871 -9.247 -12.145 1.00 0.00 H new ATOM 0 HB ILE A 55 18.909 -7.100 -11.549 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.835 -8.541 -9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.565 -8.814 -9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.009 -5.639 -10.959 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.015 -6.067 -12.686 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.880 -6.869 -11.575 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.841 -7.420 -7.877 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.920 -6.495 -8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.163 -6.218 -9.001 1.00 0.00 H new ATOM 830 N ASP A 56 16.503 -8.102 -14.364 1.00 0.00 N ATOM 831 CA ASP A 56 16.267 -7.653 -15.739 1.00 0.00 C ATOM 832 C ASP A 56 15.630 -6.252 -15.798 1.00 0.00 C ATOM 833 O ASP A 56 14.601 -5.999 -15.169 1.00 0.00 O ATOM 834 CB ASP A 56 15.417 -8.695 -16.481 1.00 0.00 C ATOM 835 CG ASP A 56 15.151 -8.271 -17.934 1.00 0.00 C ATOM 836 OD1 ASP A 56 16.072 -7.701 -18.566 1.00 0.00 O ATOM 837 OD2 ASP A 56 14.019 -8.469 -18.434 1.00 0.00 O ATOM 0 H ASP A 56 15.646 -8.256 -13.833 1.00 0.00 H new ATOM 0 HA ASP A 56 17.232 -7.563 -16.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.927 -9.658 -16.469 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.469 -8.830 -15.961 1.00 0.00 H new ATOM 842 N ILE A 57 16.230 -5.364 -16.603 1.00 0.00 N ATOM 843 CA ILE A 57 15.669 -4.050 -16.974 1.00 0.00 C ATOM 844 C ILE A 57 15.477 -3.892 -18.499 1.00 0.00 C ATOM 845 O ILE A 57 15.233 -2.787 -18.976 1.00 0.00 O ATOM 846 CB ILE A 57 16.450 -2.875 -16.327 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.905 -2.762 -16.836 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.420 -2.956 -14.786 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.519 -1.377 -16.585 1.00 0.00 C ATOM 0 H ILE A 57 17.141 -5.540 -17.026 1.00 0.00 H new ATOM 0 HA ILE A 57 14.665 -4.009 -16.552 1.00 0.00 H new ATOM 0 HB ILE A 57 15.934 -1.967 -16.638 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.516 -3.519 -16.345 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.929 -2.976 -17.904 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.977 -2.118 -14.367 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.387 -2.916 -14.440 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.875 -3.892 -14.462 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.541 -1.358 -16.964 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.928 -0.619 -17.098 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.525 -1.170 -15.515 1.00 0.00 H new ATOM 861 N SER A 58 15.562 -4.972 -19.288 1.00 0.00 N ATOM 862 CA SER A 58 15.455 -4.933 -20.767 1.00 0.00 C ATOM 863 C SER A 58 14.093 -4.436 -21.264 1.00 0.00 C ATOM 864 O SER A 58 13.995 -3.849 -22.341 1.00 0.00 O ATOM 865 CB SER A 58 15.700 -6.322 -21.379 1.00 0.00 C ATOM 866 OG SER A 58 16.877 -6.918 -20.877 1.00 0.00 O ATOM 0 H SER A 58 15.709 -5.912 -18.920 1.00 0.00 H new ATOM 0 HA SER A 58 16.221 -4.227 -21.087 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.848 -6.967 -21.167 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.772 -6.234 -22.463 1.00 0.00 H new ATOM 0 HG SER A 58 16.657 -7.469 -20.097 1.00 0.00 H new ATOM 872 N GLY A 59 13.041 -4.641 -20.460 1.00 0.00 N ATOM 873 CA GLY A 59 11.681 -4.144 -20.711 1.00 0.00 C ATOM 874 C GLY A 59 11.470 -2.654 -20.401 1.00 0.00 C ATOM 875 O GLY A 59 10.363 -2.155 -20.611 1.00 0.00 O ATOM 0 H GLY A 59 13.115 -5.172 -19.592 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.432 -4.321 -21.757 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.980 -4.727 -20.113 1.00 0.00 H new ATOM 879 N GLN A 60 12.488 -1.932 -19.905 1.00 0.00 N ATOM 880 CA GLN A 60 12.417 -0.487 -19.676 1.00 0.00 C ATOM 881 C GLN A 60 12.802 0.296 -20.937 1.00 0.00 C ATOM 882 O GLN A 60 13.424 -0.211 -21.873 1.00 0.00 O ATOM 883 CB GLN A 60 13.262 -0.088 -18.450 1.00 0.00 C ATOM 884 CG GLN A 60 12.526 -0.398 -17.136 1.00 0.00 C ATOM 885 CD GLN A 60 13.461 -0.662 -15.963 1.00 0.00 C ATOM 886 OE1 GLN A 60 13.438 -1.735 -15.377 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.314 0.267 -15.589 1.00 0.00 N ATOM 0 H GLN A 60 13.387 -2.341 -19.651 1.00 0.00 H new ATOM 0 HA GLN A 60 11.384 -0.222 -19.452 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.212 -0.622 -18.471 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.494 0.976 -18.497 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.873 0.439 -16.889 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.887 -1.268 -17.284 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.337 1.164 -16.075 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.952 0.091 -14.813 1.00 0.00 H new ATOM 896 N THR A 61 12.420 1.568 -20.932 1.00 0.00 N ATOM 897 CA THR A 61 12.625 2.587 -21.957 1.00 0.00 C ATOM 898 C THR A 61 12.879 3.892 -21.201 1.00 0.00 C ATOM 899 O THR A 61 12.711 3.961 -19.977 1.00 0.00 O ATOM 900 CB THR A 61 11.391 2.725 -22.880 1.00 0.00 C ATOM 901 OG1 THR A 61 10.207 2.853 -22.119 1.00 0.00 O ATOM 902 CG2 THR A 61 11.221 1.514 -23.802 1.00 0.00 C ATOM 0 H THR A 61 11.910 1.949 -20.135 1.00 0.00 H new ATOM 0 HA THR A 61 13.460 2.323 -22.606 1.00 0.00 H new ATOM 0 HB THR A 61 11.562 3.617 -23.482 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.439 2.941 -22.721 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.342 1.656 -24.431 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.105 1.409 -24.431 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.095 0.614 -23.201 1.00 0.00 H new ATOM 910 N SER A 62 13.338 4.925 -21.900 1.00 0.00 N ATOM 911 CA SER A 62 13.560 6.235 -21.284 1.00 0.00 C ATOM 912 C SER A 62 12.472 7.246 -21.657 1.00 0.00 C ATOM 913 O SER A 62 12.069 7.347 -22.814 1.00 0.00 O ATOM 914 CB SER A 62 14.958 6.701 -21.622 1.00 0.00 C ATOM 915 OG SER A 62 15.830 5.815 -20.953 1.00 0.00 O ATOM 0 H SER A 62 13.564 4.884 -22.894 1.00 0.00 H new ATOM 0 HA SER A 62 13.484 6.145 -20.200 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.128 6.679 -22.698 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.118 7.728 -21.295 1.00 0.00 H new ATOM 0 HG SER A 62 16.368 6.314 -20.303 1.00 0.00 H new ATOM 921 N ASP A 63 12.022 8.009 -20.656 1.00 0.00 N ATOM 922 CA ASP A 63 10.911 8.980 -20.761 1.00 0.00 C ATOM 923 C ASP A 63 11.135 10.251 -19.907 1.00 0.00 C ATOM 924 O ASP A 63 11.834 10.175 -18.889 1.00 0.00 O ATOM 925 CB ASP A 63 9.587 8.309 -20.371 1.00 0.00 C ATOM 926 CG ASP A 63 8.985 7.502 -21.533 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.532 8.119 -22.527 1.00 0.00 O ATOM 928 OD2 ASP A 63 8.919 6.255 -21.439 1.00 0.00 O ATOM 0 H ASP A 63 12.427 7.973 -19.721 1.00 0.00 H new ATOM 0 HA ASP A 63 10.872 9.303 -21.801 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.752 7.649 -19.519 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.875 9.070 -20.051 1.00 0.00 H new ATOM 933 N PRO A 64 10.566 11.414 -20.296 1.00 0.00 N ATOM 934 CA PRO A 64 10.882 12.708 -19.698 1.00 0.00 C ATOM 935 C PRO A 64 9.905 13.140 -18.592 1.00 0.00 C ATOM 936 O PRO A 64 8.708 12.844 -18.641 1.00 0.00 O ATOM 937 CB PRO A 64 10.862 13.686 -20.870 1.00 0.00 C ATOM 938 CG PRO A 64 9.708 13.151 -21.719 1.00 0.00 C ATOM 939 CD PRO A 64 9.773 11.635 -21.505 1.00 0.00 C ATOM 0 HA PRO A 64 11.845 12.669 -19.188 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.685 14.710 -20.542 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.805 13.685 -21.417 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.750 13.560 -21.397 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.829 13.413 -22.770 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.773 11.217 -21.393 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.230 11.142 -22.363 1.00 0.00 H new ATOM 947 N ILE A 65 10.387 13.941 -17.641 1.00 0.00 N ATOM 948 CA ILE A 65 9.646 14.444 -16.473 1.00 0.00 C ATOM 949 C ILE A 65 8.401 15.248 -16.867 1.00 0.00 C ATOM 950 O ILE A 65 7.373 15.181 -16.196 1.00 0.00 O ATOM 951 CB ILE A 65 10.637 15.235 -15.586 1.00 0.00 C ATOM 952 CG1 ILE A 65 10.099 15.373 -14.158 1.00 0.00 C ATOM 953 CG2 ILE A 65 11.008 16.612 -16.169 1.00 0.00 C ATOM 954 CD1 ILE A 65 11.021 16.167 -13.235 1.00 0.00 C ATOM 0 H ILE A 65 11.350 14.275 -17.661 1.00 0.00 H new ATOM 0 HA ILE A 65 9.246 13.609 -15.898 1.00 0.00 H new ATOM 0 HB ILE A 65 11.559 14.654 -15.562 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.124 15.859 -14.191 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.946 14.379 -13.738 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.705 17.115 -15.499 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.474 16.480 -17.146 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.107 17.217 -16.275 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.578 16.225 -12.241 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.989 15.670 -13.173 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.155 17.173 -13.632 1.00 0.00 H new ATOM 966 N GLU A 66 8.459 15.917 -18.023 1.00 0.00 N ATOM 967 CA GLU A 66 7.338 16.672 -18.609 1.00 0.00 C ATOM 968 C GLU A 66 6.092 15.810 -18.935 1.00 0.00 C ATOM 969 O GLU A 66 4.987 16.353 -19.013 1.00 0.00 O ATOM 970 CB GLU A 66 7.811 17.391 -19.886 1.00 0.00 C ATOM 971 CG GLU A 66 8.953 18.385 -19.634 1.00 0.00 C ATOM 972 CD GLU A 66 9.229 19.232 -20.893 1.00 0.00 C ATOM 973 OE1 GLU A 66 9.955 18.759 -21.803 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.722 20.378 -20.986 1.00 0.00 O ATOM 0 H GLU A 66 9.304 15.952 -18.593 1.00 0.00 H new ATOM 0 HA GLU A 66 7.025 17.386 -17.847 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.139 16.648 -20.613 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.968 17.921 -20.330 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.696 19.038 -18.800 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.855 17.844 -19.349 1.00 0.00 H new ATOM 981 N ASN A 67 6.240 14.484 -19.103 1.00 0.00 N ATOM 982 CA ASN A 67 5.128 13.561 -19.395 1.00 0.00 C ATOM 983 C ASN A 67 4.527 12.876 -18.142 1.00 0.00 C ATOM 984 O ASN A 67 3.448 12.285 -18.220 1.00 0.00 O ATOM 985 CB ASN A 67 5.568 12.551 -20.485 1.00 0.00 C ATOM 986 CG ASN A 67 5.767 11.127 -19.980 1.00 0.00 C ATOM 987 OD1 ASN A 67 5.003 10.220 -20.277 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.780 10.886 -19.185 1.00 0.00 N ATOM 0 H ASN A 67 7.145 14.018 -19.039 1.00 0.00 H new ATOM 0 HA ASN A 67 4.301 14.156 -19.781 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.820 12.541 -21.277 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.500 12.899 -20.931 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.928 9.946 -18.818 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.421 11.638 -18.933 1.00 0.00 H new ATOM 995 N PHE A 68 5.227 12.925 -17.004 1.00 0.00 N ATOM 996 CA PHE A 68 4.917 12.157 -15.790 1.00 0.00 C ATOM 997 C PHE A 68 4.117 12.955 -14.736 1.00 0.00 C ATOM 998 O PHE A 68 3.869 14.152 -14.890 1.00 0.00 O ATOM 999 CB PHE A 68 6.233 11.592 -15.236 1.00 0.00 C ATOM 1000 CG PHE A 68 6.791 10.381 -15.964 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.042 9.195 -16.085 1.00 0.00 C ATOM 1002 CD2 PHE A 68 8.099 10.422 -16.478 1.00 0.00 C ATOM 1003 CE1 PHE A 68 6.604 8.062 -16.697 1.00 0.00 C ATOM 1004 CE2 PHE A 68 8.668 9.285 -17.077 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.922 8.100 -17.180 1.00 0.00 C ATOM 0 H PHE A 68 6.050 13.518 -16.897 1.00 0.00 H new ATOM 0 HA PHE A 68 4.247 11.339 -16.054 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.983 12.382 -15.257 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.080 11.325 -14.190 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.031 9.156 -15.706 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.672 11.335 -16.412 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.020 7.159 -16.796 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.678 9.323 -17.458 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.360 7.221 -17.629 1.00 0.00 H new ATOM 1015 N ASN A 69 3.693 12.272 -13.662 1.00 0.00 N ATOM 1016 CA ASN A 69 2.746 12.779 -12.659 1.00 0.00 C ATOM 1017 C ASN A 69 3.270 12.666 -11.212 1.00 0.00 C ATOM 1018 O ASN A 69 2.977 11.689 -10.521 1.00 0.00 O ATOM 1019 CB ASN A 69 1.379 12.084 -12.880 1.00 0.00 C ATOM 1020 CG ASN A 69 1.415 10.571 -13.101 1.00 0.00 C ATOM 1021 OD1 ASN A 69 1.099 10.076 -14.173 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.784 9.789 -12.112 1.00 0.00 N ATOM 0 H ASN A 69 4.010 11.323 -13.462 1.00 0.00 H new ATOM 0 HA ASN A 69 2.620 13.853 -12.798 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.748 12.288 -12.015 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.897 12.544 -13.742 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.805 8.778 -12.242 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.049 10.193 -11.214 1.00 0.00 H new ATOM 1029 N ALA A 70 3.985 13.687 -10.717 1.00 0.00 N ATOM 1030 CA ALA A 70 4.551 13.692 -9.358 1.00 0.00 C ATOM 1031 C ALA A 70 3.530 13.360 -8.253 1.00 0.00 C ATOM 1032 O ALA A 70 3.877 12.721 -7.262 1.00 0.00 O ATOM 1033 CB ALA A 70 5.152 15.068 -9.062 1.00 0.00 C ATOM 0 H ALA A 70 4.188 14.534 -11.248 1.00 0.00 H new ATOM 0 HA ALA A 70 5.307 12.907 -9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.571 15.073 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.939 15.284 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.374 15.828 -9.135 1.00 0.00 H new ATOM 1039 N ASP A 71 2.270 13.768 -8.445 1.00 0.00 N ATOM 1040 CA ASP A 71 1.173 13.595 -7.484 1.00 0.00 C ATOM 1041 C ASP A 71 0.881 12.125 -7.118 1.00 0.00 C ATOM 1042 O ASP A 71 0.382 11.849 -6.024 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.081 14.242 -8.087 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.255 14.272 -7.095 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.186 15.026 -6.094 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.269 13.572 -7.330 1.00 0.00 O ATOM 0 H ASP A 71 1.976 14.242 -9.299 1.00 0.00 H new ATOM 0 HA ASP A 71 1.472 14.071 -6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.153 15.259 -8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.377 13.693 -8.981 1.00 0.00 H new ATOM 1051 N ASP A 72 1.209 11.179 -8.008 1.00 0.00 N ATOM 1052 CA ASP A 72 1.033 9.734 -7.783 1.00 0.00 C ATOM 1053 C ASP A 72 2.337 9.011 -7.385 1.00 0.00 C ATOM 1054 O ASP A 72 2.357 7.785 -7.288 1.00 0.00 O ATOM 1055 CB ASP A 72 0.350 9.087 -8.996 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.298 7.725 -8.667 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.023 7.618 -7.648 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -0.139 6.772 -9.470 1.00 0.00 O ATOM 0 H ASP A 72 1.611 11.397 -8.920 1.00 0.00 H new ATOM 0 HA ASP A 72 0.378 9.619 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.414 9.763 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.084 8.952 -9.790 1.00 0.00 H new ATOM 1063 N TYR A 73 3.426 9.746 -7.135 1.00 0.00 N ATOM 1064 CA TYR A 73 4.687 9.205 -6.621 1.00 0.00 C ATOM 1065 C TYR A 73 4.861 9.674 -5.171 1.00 0.00 C ATOM 1066 O TYR A 73 5.287 10.803 -4.925 1.00 0.00 O ATOM 1067 CB TYR A 73 5.872 9.605 -7.520 1.00 0.00 C ATOM 1068 CG TYR A 73 5.656 9.470 -9.018 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.958 8.373 -9.563 1.00 0.00 C ATOM 1070 CD2 TYR A 73 6.148 10.476 -9.872 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.681 8.329 -10.941 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.869 10.436 -11.249 1.00 0.00 C ATOM 1073 CZ TYR A 73 5.109 9.377 -11.781 1.00 0.00 C ATOM 1074 OH TYR A 73 4.793 9.374 -13.104 1.00 0.00 O ATOM 0 H TYR A 73 3.455 10.754 -7.288 1.00 0.00 H new ATOM 0 HA TYR A 73 4.661 8.115 -6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.131 10.641 -7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.733 8.997 -7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.636 7.566 -8.922 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.742 11.282 -9.467 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.140 7.492 -11.356 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.237 11.217 -11.898 1.00 0.00 H new ATOM 0 HH TYR A 73 5.610 9.274 -13.635 1.00 0.00 H new ATOM 1084 N ASP A 74 4.523 8.821 -4.196 1.00 0.00 N ATOM 1085 CA ASP A 74 4.644 9.163 -2.769 1.00 0.00 C ATOM 1086 C ASP A 74 6.077 9.593 -2.404 1.00 0.00 C ATOM 1087 O ASP A 74 6.272 10.471 -1.565 1.00 0.00 O ATOM 1088 CB ASP A 74 4.243 7.960 -1.906 1.00 0.00 C ATOM 1089 CG ASP A 74 2.812 7.492 -2.173 1.00 0.00 C ATOM 1090 OD1 ASP A 74 1.842 8.163 -1.753 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.674 6.429 -2.821 1.00 0.00 O ATOM 0 H ASP A 74 4.161 7.883 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 74 3.976 10.002 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.931 7.137 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.344 8.224 -0.853 1.00 0.00 H new ATOM 1096 N VAL A 75 7.078 9.016 -3.074 1.00 0.00 N ATOM 1097 CA VAL A 75 8.488 9.404 -2.960 1.00 0.00 C ATOM 1098 C VAL A 75 9.080 9.708 -4.335 1.00 0.00 C ATOM 1099 O VAL A 75 8.878 8.955 -5.290 1.00 0.00 O ATOM 1100 CB VAL A 75 9.295 8.314 -2.244 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.743 8.750 -2.009 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.651 7.941 -0.901 1.00 0.00 C ATOM 0 H VAL A 75 6.928 8.247 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 75 8.544 10.313 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 75 9.294 7.440 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.285 7.953 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.220 8.959 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.757 9.649 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.244 7.166 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.610 8.822 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.641 7.570 -1.073 1.00 0.00 H new ATOM 1112 N VAL A 76 9.879 10.769 -4.428 1.00 0.00 N ATOM 1113 CA VAL A 76 10.646 11.126 -5.630 1.00 0.00 C ATOM 1114 C VAL A 76 12.122 11.270 -5.276 1.00 0.00 C ATOM 1115 O VAL A 76 12.462 11.877 -4.266 1.00 0.00 O ATOM 1116 CB VAL A 76 10.085 12.405 -6.275 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.996 12.981 -7.366 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.726 12.124 -6.927 1.00 0.00 C ATOM 0 H VAL A 76 10.017 11.421 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 76 10.551 10.328 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 76 10.003 13.128 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.543 13.882 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.967 13.228 -6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.127 12.243 -8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.343 13.039 -7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.842 11.361 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.025 11.772 -6.170 1.00 0.00 H new ATOM 1128 N ILE A 77 13.003 10.732 -6.115 1.00 0.00 N ATOM 1129 CA ILE A 77 14.455 10.775 -5.932 1.00 0.00 C ATOM 1130 C ILE A 77 15.107 11.485 -7.121 1.00 0.00 C ATOM 1131 O ILE A 77 14.722 11.229 -8.260 1.00 0.00 O ATOM 1132 CB ILE A 77 15.019 9.343 -5.802 1.00 0.00 C ATOM 1133 CG1 ILE A 77 14.214 8.382 -4.893 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.486 9.387 -5.347 1.00 0.00 C ATOM 1135 CD1 ILE A 77 14.117 8.789 -3.420 1.00 0.00 C ATOM 0 H ILE A 77 12.722 10.241 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 77 14.679 11.326 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 77 14.932 8.923 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 77 13.204 8.292 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 77 14.668 7.393 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.870 8.371 -5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 77 17.078 9.937 -6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.552 9.884 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.533 8.047 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 77 15.118 8.848 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.631 9.762 -3.343 1.00 0.00 H new ATOM 1147 N SER A 78 16.124 12.320 -6.890 1.00 0.00 N ATOM 1148 CA SER A 78 16.967 12.879 -7.964 1.00 0.00 C ATOM 1149 C SER A 78 18.354 12.230 -8.006 1.00 0.00 C ATOM 1150 O SER A 78 18.988 12.032 -6.974 1.00 0.00 O ATOM 1151 CB SER A 78 17.082 14.398 -7.863 1.00 0.00 C ATOM 1152 OG SER A 78 17.781 14.864 -9.007 1.00 0.00 O ATOM 0 H SER A 78 16.390 12.631 -5.956 1.00 0.00 H new ATOM 0 HA SER A 78 16.466 12.643 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.092 14.852 -7.810 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.611 14.680 -6.953 1.00 0.00 H new ATOM 0 HG SER A 78 17.865 15.839 -8.964 1.00 0.00 H new ATOM 1158 N LEU A 79 18.815 11.879 -9.209 1.00 0.00 N ATOM 1159 CA LEU A 79 20.079 11.187 -9.479 1.00 0.00 C ATOM 1160 C LEU A 79 20.802 11.883 -10.649 1.00 0.00 C ATOM 1161 O LEU A 79 21.197 11.239 -11.621 1.00 0.00 O ATOM 1162 CB LEU A 79 19.808 9.683 -9.745 1.00 0.00 C ATOM 1163 CG LEU A 79 19.047 8.879 -8.662 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.518 8.945 -8.741 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.403 7.395 -8.779 1.00 0.00 C ATOM 0 H LEU A 79 18.293 12.079 -10.062 1.00 0.00 H new ATOM 0 HA LEU A 79 20.738 11.240 -8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.246 9.604 -10.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 20.768 9.195 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 79 19.357 9.341 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.086 8.348 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.193 9.980 -8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.186 8.554 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.867 6.831 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.120 7.030 -9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.476 7.266 -8.638 1.00 0.00 H new ATOM 1213 N VAL A 84 20.665 20.237 -10.664 1.00 0.00 N ATOM 1214 CA VAL A 84 19.220 19.929 -10.694 1.00 0.00 C ATOM 1215 C VAL A 84 18.588 20.010 -9.299 1.00 0.00 C ATOM 1216 O VAL A 84 19.161 19.513 -8.326 1.00 0.00 O ATOM 1217 CB VAL A 84 19.014 18.523 -11.298 1.00 0.00 C ATOM 1218 CG1 VAL A 84 17.531 18.178 -11.487 1.00 0.00 C ATOM 1219 CG2 VAL A 84 19.717 18.398 -12.658 1.00 0.00 C ATOM 0 HA VAL A 84 18.723 20.676 -11.313 1.00 0.00 H new ATOM 0 HB VAL A 84 19.448 17.824 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.441 17.179 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.025 18.206 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.072 18.903 -12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.556 17.398 -13.060 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.309 19.137 -13.348 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.786 18.570 -12.532 1.00 0.00 H new ATOM 1229 N ASN A 85 17.386 20.601 -9.205 1.00 0.00 N ATOM 1230 CA ASN A 85 16.658 20.759 -7.932 1.00 0.00 C ATOM 1231 C ASN A 85 15.134 20.469 -7.985 1.00 0.00 C ATOM 1232 O ASN A 85 14.485 20.527 -6.943 1.00 0.00 O ATOM 1233 CB ASN A 85 16.976 22.172 -7.397 1.00 0.00 C ATOM 1234 CG ASN A 85 16.887 22.262 -5.881 1.00 0.00 C ATOM 1235 OD1 ASN A 85 16.011 22.899 -5.312 1.00 0.00 O ATOM 1236 ND2 ASN A 85 17.817 21.642 -5.185 1.00 0.00 N ATOM 0 H ASN A 85 16.890 20.984 -10.010 1.00 0.00 H new ATOM 0 HA ASN A 85 17.009 19.987 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.978 22.459 -7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.284 22.888 -7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.809 21.691 -4.166 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.545 21.112 -5.665 1.00 0.00 H new ATOM 1243 N LEU A 86 14.566 20.150 -9.164 1.00 0.00 N ATOM 1244 CA LEU A 86 13.123 19.904 -9.400 1.00 0.00 C ATOM 1245 C LEU A 86 12.169 20.916 -8.705 1.00 0.00 C ATOM 1246 O LEU A 86 11.391 20.521 -7.835 1.00 0.00 O ATOM 1247 CB LEU A 86 12.776 18.434 -9.060 1.00 0.00 C ATOM 1248 CG LEU A 86 13.535 17.307 -9.764 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.902 15.973 -9.355 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.400 17.471 -11.271 1.00 0.00 C ATOM 0 H LEU A 86 15.119 20.052 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 86 12.949 20.075 -10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.916 18.303 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.715 18.292 -9.263 1.00 0.00 H new ATOM 0 HG LEU A 86 14.589 17.335 -9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.428 15.155 -9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.973 15.853 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.854 15.961 -9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.940 16.669 -11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.347 17.429 -11.549 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.816 18.433 -11.571 1.00 0.00 H new ATOM 1262 N PRO A 87 12.154 22.207 -9.107 1.00 0.00 N ATOM 1263 CA PRO A 87 11.275 23.233 -8.522 1.00 0.00 C ATOM 1264 C PRO A 87 9.752 22.943 -8.406 1.00 0.00 C ATOM 1265 O PRO A 87 9.145 23.525 -7.498 1.00 0.00 O ATOM 1266 CB PRO A 87 11.511 24.487 -9.370 1.00 0.00 C ATOM 1267 CG PRO A 87 12.945 24.322 -9.860 1.00 0.00 C ATOM 1268 CD PRO A 87 13.042 22.818 -10.092 1.00 0.00 C ATOM 0 HA PRO A 87 11.549 23.311 -7.470 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.808 24.548 -10.201 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.390 25.397 -8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.129 24.887 -10.774 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.669 24.666 -9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.739 22.558 -11.106 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.066 22.468 -9.966 1.00 0.00 H new ATOM 1276 N PRO A 88 9.093 22.122 -9.264 1.00 0.00 N ATOM 1277 CA PRO A 88 7.639 21.894 -9.188 1.00 0.00 C ATOM 1278 C PRO A 88 7.195 20.941 -8.050 1.00 0.00 C ATOM 1279 O PRO A 88 7.937 20.652 -7.114 1.00 0.00 O ATOM 1280 CB PRO A 88 7.232 21.367 -10.577 1.00 0.00 C ATOM 1281 CG PRO A 88 8.428 21.593 -11.490 1.00 0.00 C ATOM 1282 CD PRO A 88 9.598 21.577 -10.520 1.00 0.00 C ATOM 0 HA PRO A 88 7.133 22.826 -8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.973 20.309 -10.530 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.354 21.894 -10.950 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.516 20.810 -12.243 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.357 22.541 -12.023 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.975 20.564 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.426 22.176 -10.899 1.00 0.00 H new ATOM 1290 N GLU A 89 5.984 20.376 -8.150 1.00 0.00 N ATOM 1291 CA GLU A 89 5.438 19.372 -7.214 1.00 0.00 C ATOM 1292 C GLU A 89 6.277 18.080 -7.074 1.00 0.00 C ATOM 1293 O GLU A 89 6.050 17.274 -6.173 1.00 0.00 O ATOM 1294 CB GLU A 89 3.970 19.045 -7.556 1.00 0.00 C ATOM 1295 CG GLU A 89 3.709 18.621 -9.010 1.00 0.00 C ATOM 1296 CD GLU A 89 3.198 19.800 -9.866 1.00 0.00 C ATOM 1297 OE1 GLU A 89 3.995 20.720 -10.168 1.00 0.00 O ATOM 1298 OE2 GLU A 89 1.996 19.815 -10.231 1.00 0.00 O ATOM 0 H GLU A 89 5.336 20.608 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 89 5.489 19.844 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.631 18.246 -6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.360 19.921 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.628 18.227 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.976 17.814 -9.028 1.00 0.00 H new ATOM 1305 N TRP A 90 7.306 17.899 -7.904 1.00 0.00 N ATOM 1306 CA TRP A 90 8.312 16.833 -7.802 1.00 0.00 C ATOM 1307 C TRP A 90 9.088 16.815 -6.471 1.00 0.00 C ATOM 1308 O TRP A 90 9.682 15.792 -6.134 1.00 0.00 O ATOM 1309 CB TRP A 90 9.242 16.940 -9.011 1.00 0.00 C ATOM 1310 CG TRP A 90 8.578 16.496 -10.277 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.819 17.259 -11.095 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.575 15.167 -10.875 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.233 16.464 -12.060 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.664 15.159 -11.969 1.00 0.00 C ATOM 1315 CE3 TRP A 90 9.301 13.982 -10.634 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.419 14.012 -12.734 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 9.129 12.850 -11.448 1.00 0.00 C ATOM 1318 CH2 TRP A 90 8.183 12.858 -12.487 1.00 0.00 C ATOM 0 H TRP A 90 7.470 18.515 -8.700 1.00 0.00 H new ATOM 0 HA TRP A 90 7.790 15.876 -7.807 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.575 17.972 -9.120 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.131 16.334 -8.838 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.691 18.328 -11.007 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.565 16.801 -12.753 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.000 13.944 -9.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.657 14.014 -13.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.728 11.968 -11.274 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.043 11.977 -13.096 1.00 0.00 H new ATOM 1329 N VAL A 91 9.046 17.897 -5.681 1.00 0.00 N ATOM 1330 CA VAL A 91 9.650 17.975 -4.332 1.00 0.00 C ATOM 1331 C VAL A 91 8.633 18.214 -3.203 1.00 0.00 C ATOM 1332 O VAL A 91 9.025 18.330 -2.044 1.00 0.00 O ATOM 1333 CB VAL A 91 10.810 18.990 -4.276 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.930 18.603 -5.238 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.362 20.432 -4.548 1.00 0.00 C ATOM 0 H VAL A 91 8.584 18.762 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 91 10.063 16.983 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 91 11.186 18.956 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.733 19.337 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.316 17.619 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.542 18.575 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.224 21.097 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.918 20.494 -5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.626 20.731 -3.802 1.00 0.00 H new ATOM 1345 N THR A 92 7.327 18.246 -3.506 1.00 0.00 N ATOM 1346 CA THR A 92 6.238 18.455 -2.522 1.00 0.00 C ATOM 1347 C THR A 92 5.573 17.144 -2.059 1.00 0.00 C ATOM 1348 O THR A 92 4.586 17.171 -1.319 1.00 0.00 O ATOM 1349 CB THR A 92 5.181 19.446 -3.038 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.486 18.889 -4.132 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.788 20.770 -3.506 1.00 0.00 C ATOM 0 H THR A 92 6.984 18.126 -4.459 1.00 0.00 H new ATOM 0 HA THR A 92 6.719 18.890 -1.646 1.00 0.00 H new ATOM 0 HB THR A 92 4.515 19.642 -2.198 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.111 18.387 -4.695 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.995 21.429 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.311 21.244 -2.676 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.491 20.581 -4.317 1.00 0.00 H new ATOM 1359 N GLN A 93 6.114 15.993 -2.481 1.00 0.00 N ATOM 1360 CA GLN A 93 5.630 14.654 -2.125 1.00 0.00 C ATOM 1361 C GLN A 93 6.050 14.254 -0.688 1.00 0.00 C ATOM 1362 O GLN A 93 6.632 15.064 0.039 1.00 0.00 O ATOM 1363 CB GLN A 93 6.086 13.655 -3.206 1.00 0.00 C ATOM 1364 CG GLN A 93 5.673 14.081 -4.627 1.00 0.00 C ATOM 1365 CD GLN A 93 4.198 14.498 -4.729 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.282 13.819 -4.277 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.914 15.669 -5.263 1.00 0.00 N ATOM 0 H GLN A 93 6.925 15.968 -3.099 1.00 0.00 H new ATOM 0 HA GLN A 93 4.540 14.647 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.170 13.551 -3.164 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.663 12.674 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.302 14.912 -4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.859 13.256 -5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.660 16.250 -5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.948 15.994 -5.294 1.00 0.00 H new ATOM 1376 N GLU A 94 5.753 13.026 -0.244 1.00 0.00 N ATOM 1377 CA GLU A 94 5.947 12.618 1.165 1.00 0.00 C ATOM 1378 C GLU A 94 7.425 12.658 1.588 1.00 0.00 C ATOM 1379 O GLU A 94 7.746 13.108 2.693 1.00 0.00 O ATOM 1380 CB GLU A 94 5.412 11.198 1.446 1.00 0.00 C ATOM 1381 CG GLU A 94 3.963 10.934 1.021 1.00 0.00 C ATOM 1382 CD GLU A 94 2.972 11.863 1.748 1.00 0.00 C ATOM 1383 OE1 GLU A 94 2.706 11.641 2.956 1.00 0.00 O ATOM 1384 OE2 GLU A 94 2.445 12.814 1.121 1.00 0.00 O ATOM 0 H GLU A 94 5.375 12.289 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 94 5.379 13.344 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.056 10.480 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.498 11.003 2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.869 11.075 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.707 9.895 1.230 1.00 0.00 H new ATOM 1391 N ILE A 95 8.324 12.205 0.699 1.00 0.00 N ATOM 1392 CA ILE A 95 9.784 12.239 0.868 1.00 0.00 C ATOM 1393 C ILE A 95 10.449 12.600 -0.471 1.00 0.00 C ATOM 1394 O ILE A 95 10.038 12.117 -1.530 1.00 0.00 O ATOM 1395 CB ILE A 95 10.325 10.885 1.419 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.633 10.474 2.743 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.858 10.923 1.600 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.141 9.164 3.361 1.00 0.00 C ATOM 0 H ILE A 95 8.043 11.790 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 95 10.033 13.004 1.604 1.00 0.00 H new ATOM 0 HB ILE A 95 10.085 10.127 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.766 11.276 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.562 10.382 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.203 9.964 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.333 11.120 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.122 11.713 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.597 8.962 4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.983 8.345 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.205 9.254 3.580 1.00 0.00 H new ATOM 1410 N PHE A 96 11.498 13.423 -0.412 1.00 0.00 N ATOM 1411 CA PHE A 96 12.403 13.700 -1.528 1.00 0.00 C ATOM 1412 C PHE A 96 13.859 13.517 -1.072 1.00 0.00 C ATOM 1413 O PHE A 96 14.239 13.994 -0.001 1.00 0.00 O ATOM 1414 CB PHE A 96 12.145 15.082 -2.153 1.00 0.00 C ATOM 1415 CG PHE A 96 13.161 15.452 -3.225 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.972 15.069 -4.570 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.337 16.139 -2.862 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.963 15.348 -5.528 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.321 16.428 -3.825 1.00 0.00 C ATOM 1420 CZ PHE A 96 15.135 16.031 -5.159 1.00 0.00 C ATOM 0 H PHE A 96 11.748 13.929 0.438 1.00 0.00 H new ATOM 0 HA PHE A 96 12.206 12.981 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.146 15.097 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.162 15.838 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.065 14.561 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.484 16.446 -1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.823 15.036 -6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.219 16.955 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.890 16.250 -5.899 1.00 0.00 H new ATOM 1430 N GLU A 97 14.670 12.834 -1.884 1.00 0.00 N ATOM 1431 CA GLU A 97 16.107 12.635 -1.655 1.00 0.00 C ATOM 1432 C GLU A 97 16.909 12.870 -2.944 1.00 0.00 C ATOM 1433 O GLU A 97 16.388 12.696 -4.047 1.00 0.00 O ATOM 1434 CB GLU A 97 16.399 11.212 -1.149 1.00 0.00 C ATOM 1435 CG GLU A 97 15.768 10.876 0.209 1.00 0.00 C ATOM 1436 CD GLU A 97 16.211 9.483 0.701 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.435 9.203 0.724 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.341 8.665 1.080 1.00 0.00 O ATOM 0 H GLU A 97 14.339 12.392 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 97 16.410 13.358 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 97 16.040 10.496 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.479 11.081 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 97 16.053 11.631 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.682 10.907 0.126 1.00 0.00 H new ATOM 1445 N ASP A 98 18.192 13.212 -2.819 1.00 0.00 N ATOM 1446 CA ASP A 98 19.103 13.339 -3.959 1.00 0.00 C ATOM 1447 C ASP A 98 20.353 12.450 -3.795 1.00 0.00 C ATOM 1448 O ASP A 98 21.184 12.664 -2.908 1.00 0.00 O ATOM 1449 CB ASP A 98 19.381 14.819 -4.265 1.00 0.00 C ATOM 1450 CG ASP A 98 20.359 15.525 -3.300 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.035 15.680 -2.096 1.00 0.00 O ATOM 1452 OD2 ASP A 98 21.423 16.000 -3.771 1.00 0.00 O ATOM 0 H ASP A 98 18.631 13.410 -1.920 1.00 0.00 H new ATOM 0 HA ASP A 98 18.621 12.947 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 98 19.779 14.894 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.434 15.358 -4.254 1.00 0.00 H new ATOM 1457 N TRP A 99 20.469 11.417 -4.637 1.00 0.00 N ATOM 1458 CA TRP A 99 21.496 10.368 -4.576 1.00 0.00 C ATOM 1459 C TRP A 99 22.525 10.581 -5.688 1.00 0.00 C ATOM 1460 O TRP A 99 22.414 10.045 -6.793 1.00 0.00 O ATOM 1461 CB TRP A 99 20.846 8.974 -4.648 1.00 0.00 C ATOM 1462 CG TRP A 99 19.790 8.615 -3.644 1.00 0.00 C ATOM 1463 CD1 TRP A 99 19.535 9.228 -2.461 1.00 0.00 C ATOM 1464 CD2 TRP A 99 18.823 7.528 -3.738 1.00 0.00 C ATOM 1465 NE1 TRP A 99 18.469 8.608 -1.839 1.00 0.00 N ATOM 1466 CE2 TRP A 99 17.983 7.561 -2.588 1.00 0.00 C ATOM 1467 CE3 TRP A 99 18.572 6.518 -4.693 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 16.947 6.638 -2.389 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 17.515 5.602 -4.516 1.00 0.00 C ATOM 1470 CH2 TRP A 99 16.706 5.656 -3.366 1.00 0.00 C ATOM 0 H TRP A 99 19.822 11.282 -5.414 1.00 0.00 H new ATOM 0 HA TRP A 99 22.021 10.429 -3.623 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.408 8.865 -5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.642 8.234 -4.568 1.00 0.00 H new ATOM 0 HD1 TRP A 99 20.082 10.072 -2.066 1.00 0.00 H new ATOM 0 HE1 TRP A 99 18.089 8.891 -0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 99 19.198 6.447 -5.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.341 6.681 -1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.325 4.852 -5.270 1.00 0.00 H new ATOM 0 HH2 TRP A 99 15.903 4.946 -3.234 1.00 0.00 H new ATOM 1481 N GLN A 100 23.523 11.417 -5.398 1.00 0.00 N ATOM 1482 CA GLN A 100 24.488 11.889 -6.392 1.00 0.00 C ATOM 1483 C GLN A 100 25.640 10.880 -6.564 1.00 0.00 C ATOM 1484 O GLN A 100 26.370 10.581 -5.616 1.00 0.00 O ATOM 1485 CB GLN A 100 24.971 13.299 -6.003 1.00 0.00 C ATOM 1486 CG GLN A 100 23.861 14.310 -5.628 1.00 0.00 C ATOM 1487 CD GLN A 100 22.804 14.585 -6.700 1.00 0.00 C ATOM 1488 OE1 GLN A 100 22.701 13.940 -7.734 1.00 0.00 O ATOM 1489 NE2 GLN A 100 21.970 15.576 -6.498 1.00 0.00 N ATOM 0 H GLN A 100 23.685 11.788 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 100 24.010 11.963 -7.369 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.655 13.209 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.544 13.709 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.355 13.946 -4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 100 24.334 15.256 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.034 16.130 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 100 21.257 15.793 -7.195 1.00 0.00 H new ATOM 1498 N LEU A 101 25.786 10.343 -7.782 1.00 0.00 N ATOM 1499 CA LEU A 101 26.740 9.290 -8.168 1.00 0.00 C ATOM 1500 C LEU A 101 27.359 9.585 -9.551 1.00 0.00 C ATOM 1501 O LEU A 101 26.952 10.513 -10.253 1.00 0.00 O ATOM 1502 CB LEU A 101 26.022 7.919 -8.155 1.00 0.00 C ATOM 1503 CG LEU A 101 25.561 7.380 -6.786 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.814 6.065 -6.994 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.729 7.108 -5.843 1.00 0.00 C ATOM 0 H LEU A 101 25.212 10.646 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 101 27.558 9.266 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.148 7.989 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.691 7.183 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 101 24.925 8.143 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.485 5.677 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.947 6.236 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.477 5.341 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.350 6.730 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.392 6.367 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 101 27.281 8.032 -5.671 1.00 0.00 H new ATOM 1517 N GLU A 102 28.347 8.775 -9.930 1.00 0.00 N ATOM 1518 CA GLU A 102 29.085 8.823 -11.190 1.00 0.00 C ATOM 1519 C GLU A 102 28.181 8.608 -12.421 1.00 0.00 C ATOM 1520 O GLU A 102 27.020 8.199 -12.324 1.00 0.00 O ATOM 1521 CB GLU A 102 30.184 7.738 -11.148 1.00 0.00 C ATOM 1522 CG GLU A 102 31.317 7.937 -10.126 1.00 0.00 C ATOM 1523 CD GLU A 102 30.868 7.904 -8.647 1.00 0.00 C ATOM 1524 OE1 GLU A 102 29.981 7.092 -8.286 1.00 0.00 O ATOM 1525 OE2 GLU A 102 31.404 8.701 -7.839 1.00 0.00 O ATOM 0 H GLU A 102 28.673 8.020 -9.326 1.00 0.00 H new ATOM 0 HA GLU A 102 29.517 9.818 -11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.707 6.779 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.630 7.668 -12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.067 7.162 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.801 8.893 -10.323 1.00 0.00 H new ATOM 1532 N ASP A 103 28.736 8.855 -13.606 1.00 0.00 N ATOM 1533 CA ASP A 103 28.071 8.724 -14.914 1.00 0.00 C ATOM 1534 C ASP A 103 28.772 7.642 -15.773 1.00 0.00 C ATOM 1535 O ASP A 103 29.745 7.953 -16.460 1.00 0.00 O ATOM 1536 CB ASP A 103 27.993 10.128 -15.554 1.00 0.00 C ATOM 1537 CG ASP A 103 26.845 10.274 -16.563 1.00 0.00 C ATOM 1538 OD1 ASP A 103 25.708 9.853 -16.239 1.00 0.00 O ATOM 1539 OD2 ASP A 103 27.027 10.868 -17.648 1.00 0.00 O ATOM 0 H ASP A 103 29.704 9.166 -13.691 1.00 0.00 H new ATOM 0 HA ASP A 103 27.046 8.365 -14.817 1.00 0.00 H new ATOM 0 HB2 ASP A 103 27.872 10.872 -14.767 1.00 0.00 H new ATOM 0 HB3 ASP A 103 28.937 10.344 -16.055 1.00 0.00 H new ATOM 1544 N PRO A 104 28.332 6.358 -15.705 1.00 0.00 N ATOM 1545 CA PRO A 104 29.035 5.206 -16.293 1.00 0.00 C ATOM 1546 C PRO A 104 29.127 5.140 -17.824 1.00 0.00 C ATOM 1547 O PRO A 104 29.925 4.364 -18.344 1.00 0.00 O ATOM 1548 CB PRO A 104 28.317 3.968 -15.759 1.00 0.00 C ATOM 1549 CG PRO A 104 27.712 4.437 -14.448 1.00 0.00 C ATOM 1550 CD PRO A 104 27.287 5.850 -14.817 1.00 0.00 C ATOM 0 HA PRO A 104 30.082 5.290 -16.000 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.550 3.620 -16.452 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.008 3.139 -15.607 1.00 0.00 H new ATOM 0 HG2 PRO A 104 26.869 3.820 -14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.434 4.423 -13.632 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.317 5.850 -15.314 1.00 0.00 H new ATOM 0 HD3 PRO A 104 27.190 6.474 -13.929 1.00 0.00 H new ATOM 1558 N ASP A 105 28.336 5.920 -18.564 1.00 0.00 N ATOM 1559 CA ASP A 105 28.323 5.899 -20.035 1.00 0.00 C ATOM 1560 C ASP A 105 29.715 6.193 -20.637 1.00 0.00 C ATOM 1561 O ASP A 105 30.224 7.316 -20.561 1.00 0.00 O ATOM 1562 CB ASP A 105 27.278 6.890 -20.566 1.00 0.00 C ATOM 1563 CG ASP A 105 27.323 7.028 -22.102 1.00 0.00 C ATOM 1564 OD1 ASP A 105 27.590 6.023 -22.804 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.080 8.149 -22.611 1.00 0.00 O ATOM 0 H ASP A 105 27.681 6.590 -18.160 1.00 0.00 H new ATOM 0 HA ASP A 105 28.051 4.891 -20.348 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.284 6.562 -20.263 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.444 7.867 -20.111 1.00 0.00 H new ATOM 1570 N GLY A 106 30.325 5.168 -21.249 1.00 0.00 N ATOM 1571 CA GLY A 106 31.646 5.262 -21.882 1.00 0.00 C ATOM 1572 C GLY A 106 32.814 5.187 -20.889 1.00 0.00 C ATOM 1573 O GLY A 106 33.939 5.540 -21.247 1.00 0.00 O ATOM 0 H GLY A 106 29.909 4.239 -21.319 1.00 0.00 H new ATOM 0 HA2 GLY A 106 31.748 4.457 -22.610 1.00 0.00 H new ATOM 0 HA3 GLY A 106 31.709 6.200 -22.433 1.00 0.00 H new ATOM 1577 N GLN A 107 32.551 4.749 -19.650 1.00 0.00 N ATOM 1578 CA GLN A 107 33.563 4.569 -18.601 1.00 0.00 C ATOM 1579 C GLN A 107 34.133 3.133 -18.651 1.00 0.00 C ATOM 1580 O GLN A 107 34.826 2.769 -19.605 1.00 0.00 O ATOM 1581 CB GLN A 107 33.009 4.969 -17.215 1.00 0.00 C ATOM 1582 CG GLN A 107 32.348 6.348 -17.110 1.00 0.00 C ATOM 1583 CD GLN A 107 33.253 7.568 -17.255 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.459 7.500 -17.458 1.00 0.00 O ATOM 1585 NE2 GLN A 107 32.675 8.744 -17.125 1.00 0.00 N ATOM 0 H GLN A 107 31.609 4.505 -19.343 1.00 0.00 H new ATOM 0 HA GLN A 107 34.399 5.243 -18.786 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.280 4.218 -16.910 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.828 4.928 -16.497 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.573 6.410 -17.874 1.00 0.00 H new ATOM 0 HG3 GLN A 107 31.849 6.411 -16.143 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.671 8.803 -16.956 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.231 9.596 -17.193 1.00 0.00 H new ATOM 1594 N SER A 108 33.815 2.317 -17.637 1.00 0.00 N ATOM 1595 CA SER A 108 34.296 0.941 -17.415 1.00 0.00 C ATOM 1596 C SER A 108 33.282 0.183 -16.567 1.00 0.00 C ATOM 1597 O SER A 108 32.527 0.784 -15.801 1.00 0.00 O ATOM 1598 CB SER A 108 35.651 0.945 -16.677 1.00 0.00 C ATOM 1599 OG SER A 108 36.682 1.533 -17.458 1.00 0.00 O ATOM 0 H SER A 108 33.175 2.616 -16.902 1.00 0.00 H new ATOM 0 HA SER A 108 34.421 0.460 -18.385 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.551 1.491 -15.739 1.00 0.00 H new ATOM 0 HB3 SER A 108 35.928 -0.078 -16.422 1.00 0.00 H new ATOM 0 HG SER A 108 37.523 1.518 -16.955 1.00 0.00 H new ATOM 1605 N LEU A 109 33.288 -1.146 -16.635 1.00 0.00 N ATOM 1606 CA LEU A 109 32.280 -1.973 -15.958 1.00 0.00 C ATOM 1607 C LEU A 109 32.432 -1.924 -14.434 1.00 0.00 C ATOM 1608 O LEU A 109 31.446 -1.982 -13.710 1.00 0.00 O ATOM 1609 CB LEU A 109 32.315 -3.411 -16.513 1.00 0.00 C ATOM 1610 CG LEU A 109 32.143 -3.587 -18.041 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.060 -2.677 -18.616 1.00 0.00 C ATOM 1612 CD2 LEU A 109 33.425 -3.398 -18.855 1.00 0.00 C ATOM 0 H LEU A 109 33.984 -1.681 -17.155 1.00 0.00 H new ATOM 0 HA LEU A 109 31.294 -1.561 -16.170 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.266 -3.860 -16.227 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.531 -3.983 -16.017 1.00 0.00 H new ATOM 0 HG LEU A 109 31.843 -4.630 -18.140 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.980 -2.840 -19.691 1.00 0.00 H new ATOM 0 HD12 LEU A 109 30.105 -2.904 -18.143 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.321 -1.636 -18.426 1.00 0.00 H new ATOM 0 HD21 LEU A 109 33.208 -3.540 -19.914 1.00 0.00 H new ATOM 0 HD22 LEU A 109 33.812 -2.392 -18.696 1.00 0.00 H new ATOM 0 HD23 LEU A 109 34.169 -4.128 -18.536 1.00 0.00 H new ATOM 1624 N GLU A 110 33.646 -1.683 -13.941 1.00 0.00 N ATOM 1625 CA GLU A 110 33.912 -1.406 -12.518 1.00 0.00 C ATOM 1626 C GLU A 110 33.262 -0.094 -12.048 1.00 0.00 C ATOM 1627 O GLU A 110 32.754 -0.021 -10.932 1.00 0.00 O ATOM 1628 CB GLU A 110 35.432 -1.402 -12.297 1.00 0.00 C ATOM 1629 CG GLU A 110 35.821 -1.245 -10.822 1.00 0.00 C ATOM 1630 CD GLU A 110 37.343 -1.405 -10.641 1.00 0.00 C ATOM 1631 OE1 GLU A 110 38.089 -0.407 -10.794 1.00 0.00 O ATOM 1632 OE2 GLU A 110 37.808 -2.531 -10.336 1.00 0.00 O ATOM 0 H GLU A 110 34.486 -1.673 -14.519 1.00 0.00 H new ATOM 0 HA GLU A 110 33.458 -2.190 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.852 -2.331 -12.681 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.875 -0.590 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.508 -0.266 -10.460 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.298 -1.989 -10.221 1.00 0.00 H new ATOM 1639 N VAL A 111 33.181 0.925 -12.911 1.00 0.00 N ATOM 1640 CA VAL A 111 32.478 2.193 -12.614 1.00 0.00 C ATOM 1641 C VAL A 111 30.965 1.977 -12.633 1.00 0.00 C ATOM 1642 O VAL A 111 30.275 2.454 -11.734 1.00 0.00 O ATOM 1643 CB VAL A 111 32.926 3.303 -13.584 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.114 4.598 -13.456 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.397 3.649 -13.346 1.00 0.00 C ATOM 0 H VAL A 111 33.600 0.900 -13.840 1.00 0.00 H new ATOM 0 HA VAL A 111 32.745 2.524 -11.610 1.00 0.00 H new ATOM 0 HB VAL A 111 32.763 2.900 -14.584 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.486 5.333 -14.170 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.064 4.391 -13.663 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.214 4.992 -12.444 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.702 4.435 -14.037 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.528 3.996 -12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.010 2.763 -13.510 1.00 0.00 H new ATOM 1655 N PHE A 112 30.443 1.173 -13.570 1.00 0.00 N ATOM 1656 CA PHE A 112 29.033 0.745 -13.531 1.00 0.00 C ATOM 1657 C PHE A 112 28.710 -0.001 -12.230 1.00 0.00 C ATOM 1658 O PHE A 112 27.732 0.317 -11.568 1.00 0.00 O ATOM 1659 CB PHE A 112 28.695 -0.164 -14.719 1.00 0.00 C ATOM 1660 CG PHE A 112 28.268 0.524 -15.998 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.908 0.835 -16.199 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.205 0.815 -17.005 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.486 1.427 -17.403 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.788 1.429 -18.197 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.434 1.741 -18.389 1.00 0.00 C ATOM 0 H PHE A 112 30.971 0.806 -14.362 1.00 0.00 H new ATOM 0 HA PHE A 112 28.429 1.651 -13.585 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.569 -0.778 -14.938 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.897 -0.841 -14.414 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.187 0.618 -15.425 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.246 0.566 -16.862 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.440 1.638 -17.568 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.510 1.661 -18.966 1.00 0.00 H new ATOM 0 HZ PHE A 112 27.119 2.226 -19.301 1.00 0.00 H new ATOM 1675 N ARG A 113 29.554 -0.959 -11.826 1.00 0.00 N ATOM 1676 CA ARG A 113 29.400 -1.747 -10.583 1.00 0.00 C ATOM 1677 C ARG A 113 29.494 -0.868 -9.327 1.00 0.00 C ATOM 1678 O ARG A 113 28.686 -1.015 -8.414 1.00 0.00 O ATOM 1679 CB ARG A 113 30.458 -2.866 -10.583 1.00 0.00 C ATOM 1680 CG ARG A 113 30.120 -3.968 -11.609 1.00 0.00 C ATOM 1681 CD ARG A 113 31.314 -4.866 -11.951 1.00 0.00 C ATOM 1682 NE ARG A 113 31.856 -5.559 -10.762 1.00 0.00 N ATOM 1683 CZ ARG A 113 31.601 -6.792 -10.361 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.712 -7.548 -10.935 1.00 0.00 N ATOM 1685 NH2 ARG A 113 32.244 -7.294 -9.347 1.00 0.00 N ATOM 0 H ARG A 113 30.383 -1.218 -12.361 1.00 0.00 H new ATOM 0 HA ARG A 113 28.404 -2.189 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.436 -2.443 -10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.525 -3.304 -9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.312 -4.585 -11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.751 -3.503 -12.523 1.00 0.00 H new ATOM 0 HD2 ARG A 113 31.009 -5.605 -12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 113 32.100 -4.264 -12.407 1.00 0.00 H new ATOM 0 HE ARG A 113 32.502 -5.022 -10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 113 30.178 -7.195 -11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 113 30.549 -8.494 -10.591 1.00 0.00 H new ATOM 0 HH21 ARG A 113 32.946 -6.736 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.046 -8.246 -9.038 1.00 0.00 H new ATOM 1699 N THR A 114 30.396 0.115 -9.338 1.00 0.00 N ATOM 1700 CA THR A 114 30.554 1.128 -8.271 1.00 0.00 C ATOM 1701 C THR A 114 29.286 1.971 -8.095 1.00 0.00 C ATOM 1702 O THR A 114 28.856 2.225 -6.970 1.00 0.00 O ATOM 1703 CB THR A 114 31.764 2.031 -8.571 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.956 1.279 -8.508 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.920 3.189 -7.588 1.00 0.00 C ATOM 0 H THR A 114 31.057 0.239 -10.104 1.00 0.00 H new ATOM 0 HA THR A 114 30.727 0.599 -7.334 1.00 0.00 H new ATOM 0 HB THR A 114 31.583 2.438 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 114 33.053 0.750 -9.327 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.793 3.783 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 114 31.029 3.817 -7.621 1.00 0.00 H new ATOM 0 HG23 THR A 114 32.050 2.795 -6.580 1.00 0.00 H new ATOM 1713 N VAL A 115 28.639 2.356 -9.199 1.00 0.00 N ATOM 1714 CA VAL A 115 27.318 3.013 -9.178 1.00 0.00 C ATOM 1715 C VAL A 115 26.221 2.055 -8.711 1.00 0.00 C ATOM 1716 O VAL A 115 25.499 2.367 -7.768 1.00 0.00 O ATOM 1717 CB VAL A 115 27.026 3.631 -10.562 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.569 4.061 -10.750 1.00 0.00 C ATOM 1719 CG2 VAL A 115 27.901 4.871 -10.740 1.00 0.00 C ATOM 0 H VAL A 115 29.014 2.223 -10.138 1.00 0.00 H new ATOM 0 HA VAL A 115 27.331 3.822 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 115 27.239 2.856 -11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.441 4.486 -11.746 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.917 3.195 -10.638 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.311 4.809 -10.000 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.705 5.318 -11.715 1.00 0.00 H new ATOM 0 HG22 VAL A 115 27.672 5.593 -9.957 1.00 0.00 H new ATOM 0 HG23 VAL A 115 28.951 4.587 -10.676 1.00 0.00 H new ATOM 1729 N ARG A 116 26.115 0.876 -9.334 1.00 0.00 N ATOM 1730 CA ARG A 116 25.055 -0.126 -9.102 1.00 0.00 C ATOM 1731 C ARG A 116 24.904 -0.492 -7.624 1.00 0.00 C ATOM 1732 O ARG A 116 23.790 -0.477 -7.113 1.00 0.00 O ATOM 1733 CB ARG A 116 25.366 -1.363 -9.978 1.00 0.00 C ATOM 1734 CG ARG A 116 24.224 -2.391 -9.977 1.00 0.00 C ATOM 1735 CD ARG A 116 24.624 -3.731 -10.597 1.00 0.00 C ATOM 1736 NE ARG A 116 25.616 -4.438 -9.748 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.592 -5.227 -10.158 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.688 -5.576 -11.401 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.485 -5.676 -9.331 1.00 0.00 N ATOM 0 H ARG A 116 26.787 0.577 -10.041 1.00 0.00 H new ATOM 0 HA ARG A 116 24.092 0.297 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.558 -1.040 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.278 -1.839 -9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.892 -2.556 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.375 -1.983 -10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.739 -4.355 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.043 -3.565 -11.590 1.00 0.00 H new ATOM 0 HE ARG A 116 25.535 -4.299 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 116 26.004 -5.241 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.448 -6.186 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.441 -5.421 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.231 -6.285 -9.667 1.00 0.00 H new ATOM 1753 N GLY A 117 26.012 -0.751 -6.929 1.00 0.00 N ATOM 1754 CA GLY A 117 26.008 -1.132 -5.505 1.00 0.00 C ATOM 1755 C GLY A 117 25.440 -0.044 -4.587 1.00 0.00 C ATOM 1756 O GLY A 117 24.683 -0.338 -3.662 1.00 0.00 O ATOM 0 H GLY A 117 26.946 -0.704 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.423 -2.043 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 117 27.027 -1.363 -5.195 1.00 0.00 H new ATOM 1760 N GLN A 118 25.725 1.230 -4.889 1.00 0.00 N ATOM 1761 CA GLN A 118 25.201 2.369 -4.122 1.00 0.00 C ATOM 1762 C GLN A 118 23.726 2.627 -4.455 1.00 0.00 C ATOM 1763 O GLN A 118 22.917 2.759 -3.542 1.00 0.00 O ATOM 1764 CB GLN A 118 26.093 3.602 -4.346 1.00 0.00 C ATOM 1765 CG GLN A 118 27.508 3.380 -3.781 1.00 0.00 C ATOM 1766 CD GLN A 118 28.450 4.539 -4.094 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.588 5.488 -3.334 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.122 4.508 -5.227 1.00 0.00 N ATOM 0 H GLN A 118 26.324 1.500 -5.670 1.00 0.00 H new ATOM 0 HA GLN A 118 25.231 2.135 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.155 3.820 -5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.641 4.472 -3.869 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.448 3.246 -2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.920 2.459 -4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.011 3.719 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.753 5.273 -5.467 1.00 0.00 H new ATOM 1777 N VAL A 119 23.331 2.593 -5.736 1.00 0.00 N ATOM 1778 CA VAL A 119 21.908 2.672 -6.144 1.00 0.00 C ATOM 1779 C VAL A 119 21.066 1.566 -5.484 1.00 0.00 C ATOM 1780 O VAL A 119 19.988 1.854 -4.959 1.00 0.00 O ATOM 1781 CB VAL A 119 21.755 2.637 -7.683 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.291 2.692 -8.105 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.437 3.836 -8.348 1.00 0.00 C ATOM 0 H VAL A 119 23.979 2.511 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 119 21.529 3.632 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 119 22.217 1.702 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.225 2.665 -9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.760 1.836 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.840 3.614 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.307 3.775 -9.429 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.989 4.759 -7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.501 3.828 -8.109 1.00 0.00 H new ATOM 1793 N LYS A 120 21.570 0.322 -5.447 1.00 0.00 N ATOM 1794 CA LYS A 120 20.924 -0.806 -4.754 1.00 0.00 C ATOM 1795 C LYS A 120 20.685 -0.491 -3.278 1.00 0.00 C ATOM 1796 O LYS A 120 19.546 -0.546 -2.822 1.00 0.00 O ATOM 1797 CB LYS A 120 21.794 -2.071 -4.898 1.00 0.00 C ATOM 1798 CG LYS A 120 21.124 -3.289 -4.247 1.00 0.00 C ATOM 1799 CD LYS A 120 22.007 -4.539 -4.316 1.00 0.00 C ATOM 1800 CE LYS A 120 21.204 -5.732 -3.776 1.00 0.00 C ATOM 1801 NZ LYS A 120 22.061 -6.934 -3.559 1.00 0.00 N ATOM 0 H LYS A 120 22.447 0.068 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 120 19.952 -0.980 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.972 -2.273 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.767 -1.900 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.897 -3.063 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.175 -3.489 -4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.319 -4.726 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.914 -4.395 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.728 -5.452 -2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.406 -5.978 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.478 -7.715 -3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.495 -7.218 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.807 -6.709 -2.871 1.00 0.00 H new ATOM 1815 N GLU A 121 21.739 -0.135 -2.538 1.00 0.00 N ATOM 1816 CA GLU A 121 21.617 0.093 -1.091 1.00 0.00 C ATOM 1817 C GLU A 121 20.717 1.281 -0.780 1.00 0.00 C ATOM 1818 O GLU A 121 19.893 1.167 0.120 1.00 0.00 O ATOM 1819 CB GLU A 121 22.995 0.135 -0.399 1.00 0.00 C ATOM 1820 CG GLU A 121 23.585 1.517 -0.066 1.00 0.00 C ATOM 1821 CD GLU A 121 23.050 2.096 1.261 1.00 0.00 C ATOM 1822 OE1 GLU A 121 23.337 1.530 2.346 1.00 0.00 O ATOM 1823 OE2 GLU A 121 22.380 3.155 1.227 1.00 0.00 O ATOM 0 H GLU A 121 22.679 0.001 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 121 21.109 -0.767 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.922 -0.431 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.707 -0.389 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 121 24.671 1.439 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.356 2.209 -0.877 1.00 0.00 H new ATOM 1830 N ARG A 122 20.757 2.359 -1.577 1.00 0.00 N ATOM 1831 CA ARG A 122 19.861 3.500 -1.378 1.00 0.00 C ATOM 1832 C ARG A 122 18.397 3.084 -1.516 1.00 0.00 C ATOM 1833 O ARG A 122 17.603 3.393 -0.632 1.00 0.00 O ATOM 1834 CB ARG A 122 20.218 4.633 -2.350 1.00 0.00 C ATOM 1835 CG ARG A 122 21.579 5.331 -2.142 1.00 0.00 C ATOM 1836 CD ARG A 122 21.611 6.347 -0.996 1.00 0.00 C ATOM 1837 NE ARG A 122 21.671 5.688 0.322 1.00 0.00 N ATOM 1838 CZ ARG A 122 21.479 6.218 1.514 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.125 7.459 1.698 1.00 0.00 N ATOM 1840 NH2 ARG A 122 21.653 5.455 2.548 1.00 0.00 N ATOM 0 H ARG A 122 21.400 2.461 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 122 19.995 3.870 -0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.195 4.231 -3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.436 5.390 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.337 4.570 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.857 5.838 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 122 22.475 7.001 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 122 20.724 6.979 -1.046 1.00 0.00 H new ATOM 0 HE ARG A 122 21.890 4.692 0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 122 20.983 8.073 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 122 20.990 7.816 2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 122 21.929 4.481 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 122 21.514 5.829 3.487 1.00 0.00 H new ATOM 1854 N VAL A 123 18.052 2.285 -2.529 1.00 0.00 N ATOM 1855 CA VAL A 123 16.714 1.681 -2.646 1.00 0.00 C ATOM 1856 C VAL A 123 16.369 0.765 -1.472 1.00 0.00 C ATOM 1857 O VAL A 123 15.301 0.941 -0.895 1.00 0.00 O ATOM 1858 CB VAL A 123 16.568 0.954 -3.998 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.373 0.003 -4.039 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.427 1.974 -5.127 1.00 0.00 C ATOM 0 H VAL A 123 18.685 2.037 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 123 15.990 2.495 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 123 17.470 0.356 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.324 -0.478 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.486 -0.757 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.455 0.564 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.324 1.452 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.544 2.589 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.312 2.610 -5.156 1.00 0.00 H new ATOM 1870 N GLU A 124 17.223 -0.180 -1.076 1.00 0.00 N ATOM 1871 CA GLU A 124 16.919 -1.059 0.067 1.00 0.00 C ATOM 1872 C GLU A 124 16.719 -0.278 1.366 1.00 0.00 C ATOM 1873 O GLU A 124 15.833 -0.607 2.158 1.00 0.00 O ATOM 1874 CB GLU A 124 17.996 -2.128 0.267 1.00 0.00 C ATOM 1875 CG GLU A 124 18.101 -3.112 -0.889 1.00 0.00 C ATOM 1876 CD GLU A 124 19.094 -4.230 -0.516 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.323 -4.032 -0.664 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.652 -5.306 -0.046 1.00 0.00 O ATOM 0 H GLU A 124 18.123 -0.360 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 124 15.979 -1.552 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.960 -1.639 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.784 -2.679 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.122 -3.538 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.436 -2.598 -1.790 1.00 0.00 H new ATOM 1885 N ASN A 125 17.477 0.802 1.547 1.00 0.00 N ATOM 1886 CA ASN A 125 17.344 1.657 2.717 1.00 0.00 C ATOM 1887 C ASN A 125 16.064 2.517 2.687 1.00 0.00 C ATOM 1888 O ASN A 125 15.553 2.891 3.740 1.00 0.00 O ATOM 1889 CB ASN A 125 18.655 2.447 2.935 1.00 0.00 C ATOM 1890 CG ASN A 125 18.499 3.956 2.957 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.508 4.599 3.997 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.344 4.555 1.801 1.00 0.00 N ATOM 0 H ASN A 125 18.195 1.105 0.889 1.00 0.00 H new ATOM 0 HA ASN A 125 17.202 1.034 3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.100 2.129 3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.357 2.181 2.145 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.229 5.568 1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.338 4.008 0.940 1.00 0.00 H new ATOM 1899 N LEU A 126 15.526 2.796 1.496 1.00 0.00 N ATOM 1900 CA LEU A 126 14.272 3.521 1.304 1.00 0.00 C ATOM 1901 C LEU A 126 13.054 2.608 1.461 1.00 0.00 C ATOM 1902 O LEU A 126 12.147 2.938 2.220 1.00 0.00 O ATOM 1903 CB LEU A 126 14.325 4.216 -0.070 1.00 0.00 C ATOM 1904 CG LEU A 126 13.001 4.859 -0.516 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.522 5.949 0.444 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.187 5.468 -1.899 1.00 0.00 C ATOM 0 H LEU A 126 15.964 2.516 0.618 1.00 0.00 H new ATOM 0 HA LEU A 126 14.158 4.278 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.096 4.986 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.629 3.486 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 126 12.244 4.074 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.584 6.368 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.368 5.520 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.273 6.737 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.253 5.926 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.969 6.226 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.473 4.688 -2.605 1.00 0.00 H new ATOM 1918 N ILE A 127 13.009 1.451 0.794 1.00 0.00 N ATOM 1919 CA ILE A 127 11.812 0.588 0.832 1.00 0.00 C ATOM 1920 C ILE A 127 11.523 0.022 2.221 1.00 0.00 C ATOM 1921 O ILE A 127 10.366 -0.243 2.529 1.00 0.00 O ATOM 1922 CB ILE A 127 11.849 -0.540 -0.220 1.00 0.00 C ATOM 1923 CG1 ILE A 127 13.009 -1.536 0.005 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.843 0.091 -1.626 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.286 -2.492 -1.160 1.00 0.00 C ATOM 0 H ILE A 127 13.775 1.088 0.226 1.00 0.00 H new ATOM 0 HA ILE A 127 10.985 1.250 0.574 1.00 0.00 H new ATOM 0 HB ILE A 127 10.954 -1.154 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.917 -0.970 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.791 -2.127 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.869 -0.697 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 127 10.938 0.685 -1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.717 0.732 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.117 -3.149 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.398 -3.092 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.541 -1.917 -2.050 1.00 0.00 H new ATOM 1937 N ALA A 128 12.537 -0.091 3.080 1.00 0.00 N ATOM 1938 CA ALA A 128 12.327 -0.486 4.467 1.00 0.00 C ATOM 1939 C ALA A 128 11.651 0.617 5.321 1.00 0.00 C ATOM 1940 O ALA A 128 11.074 0.313 6.368 1.00 0.00 O ATOM 1941 CB ALA A 128 13.678 -0.916 5.048 1.00 0.00 C ATOM 0 H ALA A 128 13.511 0.086 2.836 1.00 0.00 H new ATOM 0 HA ALA A 128 11.626 -1.320 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.548 -1.217 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.071 -1.755 4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.378 -0.082 4.997 1.00 0.00 H new ATOM 1947 N LYS A 129 11.704 1.888 4.876 1.00 0.00 N ATOM 1948 CA LYS A 129 11.050 3.041 5.530 1.00 0.00 C ATOM 1949 C LYS A 129 9.613 3.269 5.051 1.00 0.00 C ATOM 1950 O LYS A 129 8.744 3.539 5.878 1.00 0.00 O ATOM 1951 CB LYS A 129 11.875 4.321 5.302 1.00 0.00 C ATOM 1952 CG LYS A 129 13.280 4.264 5.923 1.00 0.00 C ATOM 1953 CD LYS A 129 14.066 5.539 5.562 1.00 0.00 C ATOM 1954 CE LYS A 129 15.537 5.494 6.005 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.703 5.522 7.488 1.00 0.00 N ATOM 0 H LYS A 129 12.214 2.148 4.032 1.00 0.00 H new ATOM 0 HA LYS A 129 11.003 2.805 6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.967 4.498 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.336 5.171 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.205 4.167 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.812 3.384 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.023 5.690 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.581 6.399 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.002 4.590 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.067 6.341 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.715 5.489 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.287 6.396 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.223 4.700 7.907 1.00 0.00 H new ATOM 1969 N ILE A 130 9.369 3.181 3.733 1.00 0.00 N ATOM 1970 CA ILE A 130 8.088 3.590 3.112 1.00 0.00 C ATOM 1971 C ILE A 130 7.129 2.463 2.681 1.00 0.00 C ATOM 1972 O ILE A 130 6.057 2.769 2.159 1.00 0.00 O ATOM 1973 CB ILE A 130 8.281 4.685 2.030 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.272 4.351 0.899 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.725 5.996 2.694 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.890 3.141 0.051 1.00 0.00 C ATOM 0 H ILE A 130 10.051 2.825 3.064 1.00 0.00 H new ATOM 0 HA ILE A 130 7.542 4.039 3.942 1.00 0.00 H new ATOM 0 HB ILE A 130 7.305 4.768 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.364 5.220 0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.255 4.175 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.860 6.763 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.964 6.320 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.667 5.837 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.646 2.983 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.828 2.257 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.923 3.318 -0.420 1.00 0.00 H new ATOM 1988 N SER A 131 7.462 1.182 2.889 1.00 0.00 N ATOM 1989 CA SER A 131 6.538 0.064 2.607 1.00 0.00 C ATOM 1990 C SER A 131 5.239 0.114 3.428 1.00 0.00 C ATOM 1991 O SER A 131 5.305 0.193 4.679 1.00 0.00 O ATOM 1992 CB SER A 131 7.242 -1.280 2.758 1.00 0.00 C ATOM 1993 OG SER A 131 7.755 -1.462 4.067 1.00 0.00 O ATOM 1994 OXT SER A 131 4.152 0.047 2.808 1.00 0.00 O ATOM 0 H SER A 131 8.368 0.889 3.253 1.00 0.00 H new ATOM 0 HA SER A 131 6.232 0.181 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.544 -2.084 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 131 8.056 -1.347 2.036 1.00 0.00 H new ATOM 0 HG SER A 131 7.173 -1.010 4.712 1.00 0.00 H new