USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ 155:sc= 1.25 (180deg=-0.165) USER MOD Set 1.2: A 131 SER OG : rot 70:sc= 2.38 USER MOD Set 2.1: A 12 SER OG : rot 162:sc= 2.41 USER MOD Set 2.2: A 40 SER OG : rot 162:sc= 1.14 USER MOD Set 3.1: A 5 MET CE :methyl -131:sc= -0.733 (180deg=-2.13) USER MOD Set 3.2: A 33 THR OG1 : rot 158:sc= 0.193 USER MOD Set 3.3: A 35 CYS SG : rot -81:sc= -0.0876 USER MOD Set 3.4: A 73 TYR OH : rot -177:sc= 1.36 USER MOD Set 4.1: A 11 ASN : amide:sc= 1.41 K(o=7.8,f=-6.8!) USER MOD Set 4.2: A 16 GLN : amide:sc= 1.9 K(o=7.8,f=-3.3) USER MOD Set 4.3: A 23 LYS NZ :NH3+ -177:sc= 1.21 (180deg=0) USER MOD Set 4.4: A 34 SER OG : rot -78:sc= 1.64 USER MOD Set 4.5: A 60 GLN : amide:sc= 1.66 K(o=7.8,f=0.92) USER MOD Set 5.1: A 8 CYS SG : rot -66:sc= -1.04 USER MOD Set 5.2: A 15 SER OG : rot -170:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0394 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.15) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.03) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00293) USER MOD Single : A 13 CYS SG : rot -60:sc= -0.778 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0727 USER MOD Single : A 43 HIS : no HD1:sc= -0.743 K(o=-0.74,f=-1.8) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -128:sc= -0.684 (180deg=-1.21) USER MOD Single : A 50 MET CE :methyl -131:sc= -4.17 (180deg=-12.3!) USER MOD Single : A 58 SER OG : rot 101:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -176:sc= 1.35 USER MOD Single : A 67 ASN : amide:sc= 0.918 K(o=0.92,f=-0.57) USER MOD Single : A 69 ASN : amide:sc= 0.959 K(o=0.96,f=-0.003) USER MOD Single : A 78 SER OG : rot 160:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.493 K(o=0.49,f=-4.1!) USER MOD Single : A 92 THR OG1 : rot -22:sc= -0.154 USER MOD Single : A 93 GLN : amide:sc= 0.937 K(o=0.94,f=-0.064) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 1.03 K(o=1,f=-1.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.19) USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 129 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.154 -0.400 -2.999 1.00 0.00 N ATOM 2 CA MET A 1 2.150 0.699 -3.049 1.00 0.00 C ATOM 3 C MET A 1 3.461 0.262 -2.386 1.00 0.00 C ATOM 4 O MET A 1 3.448 -0.518 -1.432 1.00 0.00 O ATOM 5 CB MET A 1 1.588 1.995 -2.416 1.00 0.00 C ATOM 6 CG MET A 1 2.591 3.161 -2.380 1.00 0.00 C ATOM 7 SD MET A 1 1.885 4.790 -2.003 1.00 0.00 S ATOM 8 CE MET A 1 1.151 5.225 -3.608 1.00 0.00 C ATOM 0 H1 MET A 1 0.220 -0.012 -2.755 1.00 0.00 H new ATOM 0 H2 MET A 1 1.104 -0.866 -3.928 1.00 0.00 H new ATOM 0 H3 MET A 1 1.439 -1.094 -2.279 1.00 0.00 H new ATOM 0 HA MET A 1 2.364 0.924 -4.094 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.705 2.306 -2.974 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.262 1.778 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.356 2.936 -1.637 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.091 3.216 -3.347 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.677 6.204 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.931 5.253 -4.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.405 4.479 -3.881 1.00 0.00 H new ATOM 18 N LYS A 2 4.599 0.786 -2.864 1.00 0.00 N ATOM 19 CA LYS A 2 5.912 0.611 -2.234 1.00 0.00 C ATOM 20 C LYS A 2 6.494 1.975 -1.878 1.00 0.00 C ATOM 21 O LYS A 2 6.225 2.959 -2.568 1.00 0.00 O ATOM 22 CB LYS A 2 6.873 -0.155 -3.170 1.00 0.00 C ATOM 23 CG LYS A 2 6.983 -1.642 -2.816 1.00 0.00 C ATOM 24 CD LYS A 2 5.891 -2.538 -3.411 1.00 0.00 C ATOM 25 CE LYS A 2 5.863 -3.924 -2.738 1.00 0.00 C ATOM 26 NZ LYS A 2 7.180 -4.615 -2.731 1.00 0.00 N ATOM 0 H LYS A 2 4.632 1.352 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 2 5.789 0.024 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.528 -0.055 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.862 0.300 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.953 -2.008 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.962 -1.743 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.920 -2.056 -3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.060 -2.656 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.517 -3.812 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.136 -4.553 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.049 -5.609 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.599 -4.574 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.814 -4.146 -2.053 1.00 0.00 H new ATOM 40 N LYS A 3 7.311 2.019 -0.823 1.00 0.00 N ATOM 41 CA LYS A 3 7.986 3.229 -0.364 1.00 0.00 C ATOM 42 C LYS A 3 9.456 3.159 -0.717 1.00 0.00 C ATOM 43 O LYS A 3 10.190 2.388 -0.101 1.00 0.00 O ATOM 44 CB LYS A 3 7.759 3.446 1.140 1.00 0.00 C ATOM 45 CG LYS A 3 6.524 4.340 1.301 1.00 0.00 C ATOM 46 CD LYS A 3 6.138 4.535 2.765 1.00 0.00 C ATOM 47 CE LYS A 3 5.099 5.650 2.895 1.00 0.00 C ATOM 48 NZ LYS A 3 4.709 5.863 4.308 1.00 0.00 N ATOM 0 H LYS A 3 7.524 1.199 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 3 7.560 4.094 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.609 2.492 1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.632 3.914 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.719 5.311 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.686 3.899 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.737 3.606 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.023 4.782 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.503 6.575 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.217 5.398 2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.069 6.680 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.225 5.015 4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.559 6.044 4.879 1.00 0.00 H new ATOM 62 N VAL A 4 9.851 3.942 -1.713 1.00 0.00 N ATOM 63 CA VAL A 4 11.218 4.101 -2.183 1.00 0.00 C ATOM 64 C VAL A 4 11.921 5.165 -1.337 1.00 0.00 C ATOM 65 O VAL A 4 11.347 6.215 -1.042 1.00 0.00 O ATOM 66 CB VAL A 4 11.169 4.517 -3.671 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.566 4.670 -4.290 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.383 3.508 -4.525 1.00 0.00 C ATOM 0 H VAL A 4 9.190 4.512 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 4 11.776 3.170 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 4 10.665 5.484 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.471 4.963 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.122 5.435 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.098 3.721 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.374 3.839 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.858 2.529 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.359 3.439 -4.157 1.00 0.00 H new ATOM 78 N MET A 5 13.185 4.917 -1.003 1.00 0.00 N ATOM 79 CA MET A 5 14.065 5.916 -0.396 1.00 0.00 C ATOM 80 C MET A 5 15.359 6.017 -1.203 1.00 0.00 C ATOM 81 O MET A 5 15.861 4.998 -1.673 1.00 0.00 O ATOM 82 CB MET A 5 14.341 5.567 1.072 1.00 0.00 C ATOM 83 CG MET A 5 15.312 6.542 1.750 1.00 0.00 C ATOM 84 SD MET A 5 14.792 8.279 1.834 1.00 0.00 S ATOM 85 CE MET A 5 14.279 8.368 3.568 1.00 0.00 C ATOM 0 H MET A 5 13.632 4.011 -1.146 1.00 0.00 H new ATOM 0 HA MET A 5 13.575 6.889 -0.412 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.399 5.561 1.621 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.750 4.558 1.129 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.493 6.191 2.766 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.265 6.497 1.222 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.294 8.829 3.633 1.00 0.00 H new ATOM 0 HE2 MET A 5 14.237 7.363 3.987 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.997 8.966 4.130 1.00 0.00 H new ATOM 95 N PHE A 6 15.934 7.219 -1.287 1.00 0.00 N ATOM 96 CA PHE A 6 17.252 7.501 -1.862 1.00 0.00 C ATOM 97 C PHE A 6 18.135 8.141 -0.771 1.00 0.00 C ATOM 98 O PHE A 6 17.776 9.198 -0.256 1.00 0.00 O ATOM 99 CB PHE A 6 17.086 8.439 -3.064 1.00 0.00 C ATOM 100 CG PHE A 6 16.203 7.912 -4.177 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.652 6.873 -5.019 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.954 8.512 -4.418 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.839 6.392 -6.064 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.186 8.073 -5.506 1.00 0.00 C ATOM 105 CZ PHE A 6 14.590 6.985 -6.290 1.00 0.00 C ATOM 0 H PHE A 6 15.473 8.060 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 6 17.730 6.585 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.674 9.385 -2.712 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.072 8.654 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.629 6.442 -4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.592 9.300 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.175 5.574 -6.685 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.265 8.584 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.941 6.605 -7.065 1.00 0.00 H new ATOM 115 N VAL A 7 19.279 7.552 -0.409 1.00 0.00 N ATOM 116 CA VAL A 7 20.096 7.940 0.751 1.00 0.00 C ATOM 117 C VAL A 7 21.545 8.150 0.301 1.00 0.00 C ATOM 118 O VAL A 7 22.042 7.390 -0.525 1.00 0.00 O ATOM 119 CB VAL A 7 20.086 6.801 1.801 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.734 7.253 3.118 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.698 6.231 2.115 1.00 0.00 C ATOM 0 H VAL A 7 19.676 6.769 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 7 19.688 8.855 1.181 1.00 0.00 H new ATOM 0 HB VAL A 7 20.664 6.003 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.712 6.432 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.768 7.546 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.183 8.102 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.789 5.440 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.059 7.023 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.258 5.824 1.205 1.00 0.00 H new ATOM 131 N CYS A 8 22.257 9.145 0.835 1.00 0.00 N ATOM 132 CA CYS A 8 23.565 9.548 0.312 1.00 0.00 C ATOM 133 C CYS A 8 24.463 10.178 1.378 1.00 0.00 C ATOM 134 O CYS A 8 24.094 10.232 2.542 1.00 0.00 O ATOM 135 CB CYS A 8 23.314 10.585 -0.775 1.00 0.00 C ATOM 136 SG CYS A 8 22.484 11.989 -0.007 1.00 0.00 S ATOM 0 H CYS A 8 21.946 9.692 1.638 1.00 0.00 H new ATOM 0 HA CYS A 8 24.076 8.659 -0.058 1.00 0.00 H new ATOM 0 HB2 CYS A 8 24.254 10.898 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.699 10.165 -1.571 1.00 0.00 H new ATOM 0 HG CYS A 8 21.303 11.627 0.398 1.00 0.00 H new ATOM 142 N LYS A 9 25.600 10.754 0.969 1.00 0.00 N ATOM 143 CA LYS A 9 26.455 11.587 1.817 1.00 0.00 C ATOM 144 C LYS A 9 25.947 13.032 1.943 1.00 0.00 C ATOM 145 O LYS A 9 26.288 13.696 2.920 1.00 0.00 O ATOM 146 CB LYS A 9 27.872 11.596 1.216 1.00 0.00 C ATOM 147 CG LYS A 9 28.708 10.417 1.724 1.00 0.00 C ATOM 148 CD LYS A 9 30.001 10.301 0.903 1.00 0.00 C ATOM 149 CE LYS A 9 30.989 9.287 1.499 1.00 0.00 C ATOM 150 NZ LYS A 9 31.632 9.773 2.750 1.00 0.00 N ATOM 0 H LYS A 9 25.957 10.651 0.019 1.00 0.00 H new ATOM 0 HA LYS A 9 26.448 11.161 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.807 11.555 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.370 12.532 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.948 10.557 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.134 9.493 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.754 10.006 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.480 11.279 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.465 8.354 1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.761 9.063 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.313 9.063 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.129 10.667 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.904 9.929 3.476 1.00 0.00 H new ATOM 164 N ARG A 10 25.177 13.544 0.973 1.00 0.00 N ATOM 165 CA ARG A 10 24.729 14.928 0.889 1.00 0.00 C ATOM 166 C ARG A 10 23.522 14.936 -0.030 1.00 0.00 C ATOM 167 O ARG A 10 23.656 14.652 -1.217 1.00 0.00 O ATOM 168 CB ARG A 10 25.858 15.871 0.416 1.00 0.00 C ATOM 169 CG ARG A 10 26.622 15.568 -0.898 1.00 0.00 C ATOM 170 CD ARG A 10 27.798 16.559 -0.935 1.00 0.00 C ATOM 171 NE ARG A 10 28.773 16.278 -1.996 1.00 0.00 N ATOM 172 CZ ARG A 10 29.946 16.901 -2.159 1.00 0.00 C ATOM 173 NH1 ARG A 10 30.322 17.897 -1.359 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.735 16.497 -3.143 1.00 0.00 N ATOM 0 H ARG A 10 24.839 12.976 0.196 1.00 0.00 H new ATOM 0 HA ARG A 10 24.450 15.312 1.870 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.428 16.868 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.596 15.919 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.978 14.538 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.975 15.696 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 10 27.408 17.568 -1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.307 16.541 0.028 1.00 0.00 H new ATOM 0 HE ARG A 10 28.536 15.546 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.711 18.201 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.221 18.356 -1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.442 15.732 -3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.636 16.951 -3.294 1.00 0.00 H new ATOM 188 N ASN A 11 22.337 15.152 0.532 1.00 0.00 N ATOM 189 CA ASN A 11 21.032 15.056 -0.153 1.00 0.00 C ATOM 190 C ASN A 11 20.940 15.918 -1.427 1.00 0.00 C ATOM 191 O ASN A 11 20.073 15.675 -2.262 1.00 0.00 O ATOM 192 CB ASN A 11 19.911 15.435 0.833 1.00 0.00 C ATOM 193 CG ASN A 11 18.519 15.266 0.226 1.00 0.00 C ATOM 194 OD1 ASN A 11 17.772 16.227 0.099 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.119 14.060 -0.142 1.00 0.00 N ATOM 0 H ASN A 11 22.245 15.409 1.515 1.00 0.00 H new ATOM 0 HA ASN A 11 20.918 14.023 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.992 14.816 1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.043 16.470 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.186 13.929 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.744 13.261 -0.035 1.00 0.00 H new ATOM 202 N SER A 12 21.837 16.895 -1.588 1.00 0.00 N ATOM 203 CA SER A 12 21.829 17.960 -2.579 1.00 0.00 C ATOM 204 C SER A 12 21.364 17.597 -3.992 1.00 0.00 C ATOM 205 O SER A 12 20.569 18.354 -4.551 1.00 0.00 O ATOM 206 CB SER A 12 23.222 18.615 -2.673 1.00 0.00 C ATOM 207 OG SER A 12 24.093 18.349 -1.587 1.00 0.00 O ATOM 0 H SER A 12 22.651 16.961 -0.976 1.00 0.00 H new ATOM 0 HA SER A 12 21.069 18.643 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.702 18.279 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.093 19.694 -2.757 1.00 0.00 H new ATOM 0 HG SER A 12 25.015 18.554 -1.849 1.00 0.00 H new ATOM 213 N CYS A 13 21.850 16.497 -4.585 1.00 0.00 N ATOM 214 CA CYS A 13 21.631 16.232 -6.008 1.00 0.00 C ATOM 215 C CYS A 13 21.155 14.816 -6.324 1.00 0.00 C ATOM 216 O CYS A 13 19.957 14.691 -6.560 1.00 0.00 O ATOM 217 CB CYS A 13 22.864 16.648 -6.826 1.00 0.00 C ATOM 218 SG CYS A 13 24.405 16.116 -6.037 1.00 0.00 S ATOM 0 H CYS A 13 22.394 15.782 -4.102 1.00 0.00 H new ATOM 0 HA CYS A 13 20.791 16.856 -6.314 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.800 16.217 -7.825 1.00 0.00 H new ATOM 0 HB3 CYS A 13 22.872 17.731 -6.946 1.00 0.00 H new ATOM 0 HG CYS A 13 24.498 16.657 -4.859 1.00 0.00 H new ATOM 224 N ARG A 14 22.007 13.766 -6.326 1.00 0.00 N ATOM 225 CA ARG A 14 21.601 12.443 -6.864 1.00 0.00 C ATOM 226 C ARG A 14 20.239 12.012 -6.309 1.00 0.00 C ATOM 227 O ARG A 14 19.344 11.628 -7.057 1.00 0.00 O ATOM 228 CB ARG A 14 22.579 11.277 -6.584 1.00 0.00 C ATOM 229 CG ARG A 14 24.020 11.421 -7.086 1.00 0.00 C ATOM 230 CD ARG A 14 25.071 11.228 -5.979 1.00 0.00 C ATOM 231 NE ARG A 14 25.245 12.445 -5.162 1.00 0.00 N ATOM 232 CZ ARG A 14 24.575 12.823 -4.073 1.00 0.00 C ATOM 233 NH1 ARG A 14 23.688 12.034 -3.484 1.00 0.00 N ATOM 234 NH2 ARG A 14 24.807 14.037 -3.614 1.00 0.00 N ATOM 0 H ARG A 14 22.962 13.804 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 14 21.581 12.614 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 14 22.613 11.119 -5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.159 10.373 -7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.197 10.692 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.146 12.409 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.772 10.400 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.025 10.954 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 14 25.977 13.083 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.500 11.106 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.193 12.355 -2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 14 25.476 14.643 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.318 14.370 -2.783 1.00 0.00 H new ATOM 248 N SER A 15 20.098 12.104 -4.989 1.00 0.00 N ATOM 249 CA SER A 15 18.945 11.661 -4.224 1.00 0.00 C ATOM 250 C SER A 15 17.706 12.497 -4.576 1.00 0.00 C ATOM 251 O SER A 15 16.643 11.948 -4.856 1.00 0.00 O ATOM 252 CB SER A 15 19.289 11.801 -2.731 1.00 0.00 C ATOM 253 OG SER A 15 20.692 11.874 -2.497 1.00 0.00 O ATOM 0 H SER A 15 20.823 12.511 -4.398 1.00 0.00 H new ATOM 0 HA SER A 15 18.713 10.623 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.811 12.697 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.877 10.952 -2.186 1.00 0.00 H new ATOM 0 HG SER A 15 20.868 11.797 -1.536 1.00 0.00 H new ATOM 259 N GLN A 16 17.847 13.826 -4.580 1.00 0.00 N ATOM 260 CA GLN A 16 16.770 14.773 -4.864 1.00 0.00 C ATOM 261 C GLN A 16 16.277 14.639 -6.305 1.00 0.00 C ATOM 262 O GLN A 16 15.073 14.652 -6.558 1.00 0.00 O ATOM 263 CB GLN A 16 17.305 16.195 -4.622 1.00 0.00 C ATOM 264 CG GLN A 16 17.176 16.603 -3.152 1.00 0.00 C ATOM 265 CD GLN A 16 15.748 16.957 -2.729 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.899 17.335 -3.532 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.467 16.853 -1.446 1.00 0.00 N ATOM 0 H GLN A 16 18.737 14.282 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 16 15.925 14.563 -4.208 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.351 16.247 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.757 16.901 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.538 15.788 -2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.823 17.460 -2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.183 16.538 -0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.534 17.088 -1.108 1.00 0.00 H new ATOM 276 N MET A 17 17.211 14.482 -7.241 1.00 0.00 N ATOM 277 CA MET A 17 16.929 14.240 -8.646 1.00 0.00 C ATOM 278 C MET A 17 16.144 12.936 -8.776 1.00 0.00 C ATOM 279 O MET A 17 15.088 12.909 -9.408 1.00 0.00 O ATOM 280 CB MET A 17 18.262 14.181 -9.407 1.00 0.00 C ATOM 281 CG MET A 17 18.939 15.560 -9.493 1.00 0.00 C ATOM 282 SD MET A 17 20.743 15.561 -9.731 1.00 0.00 S ATOM 283 CE MET A 17 20.895 14.833 -11.378 1.00 0.00 C ATOM 0 H MET A 17 18.209 14.521 -7.033 1.00 0.00 H new ATOM 0 HA MET A 17 16.324 15.041 -9.072 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.932 13.479 -8.911 1.00 0.00 H new ATOM 0 HB3 MET A 17 18.088 13.799 -10.413 1.00 0.00 H new ATOM 0 HG2 MET A 17 18.485 16.113 -10.316 1.00 0.00 H new ATOM 0 HG3 MET A 17 18.715 16.109 -8.578 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.948 14.773 -11.653 1.00 0.00 H new ATOM 0 HE2 MET A 17 20.463 13.832 -11.375 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.366 15.454 -12.101 1.00 0.00 H new ATOM 293 N ALA A 18 16.619 11.868 -8.126 1.00 0.00 N ATOM 294 CA ALA A 18 15.964 10.573 -8.150 1.00 0.00 C ATOM 295 C ALA A 18 14.538 10.666 -7.604 1.00 0.00 C ATOM 296 O ALA A 18 13.631 10.082 -8.191 1.00 0.00 O ATOM 297 CB ALA A 18 16.800 9.559 -7.366 1.00 0.00 C ATOM 0 H ALA A 18 17.473 11.887 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 18 15.888 10.234 -9.183 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.306 8.588 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.787 9.473 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.903 9.893 -6.334 1.00 0.00 H new ATOM 303 N GLU A 19 14.324 11.429 -6.528 1.00 0.00 N ATOM 304 CA GLU A 19 13.000 11.648 -5.943 1.00 0.00 C ATOM 305 C GLU A 19 12.091 12.351 -6.953 1.00 0.00 C ATOM 306 O GLU A 19 10.949 11.930 -7.144 1.00 0.00 O ATOM 307 CB GLU A 19 13.137 12.464 -4.645 1.00 0.00 C ATOM 308 CG GLU A 19 11.829 12.546 -3.843 1.00 0.00 C ATOM 309 CD GLU A 19 11.927 13.481 -2.622 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.948 13.442 -1.900 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.955 14.225 -2.359 1.00 0.00 O ATOM 0 H GLU A 19 15.072 11.916 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 19 12.544 10.689 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.911 12.016 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.469 13.473 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.030 12.895 -4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.553 11.547 -3.507 1.00 0.00 H new ATOM 318 N GLY A 20 12.597 13.390 -7.626 1.00 0.00 N ATOM 319 CA GLY A 20 11.848 14.144 -8.617 1.00 0.00 C ATOM 320 C GLY A 20 11.411 13.261 -9.785 1.00 0.00 C ATOM 321 O GLY A 20 10.244 13.316 -10.184 1.00 0.00 O ATOM 0 H GLY A 20 13.550 13.729 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.970 14.589 -8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.461 14.964 -8.990 1.00 0.00 H new ATOM 325 N PHE A 21 12.302 12.416 -10.320 1.00 0.00 N ATOM 326 CA PHE A 21 11.905 11.480 -11.369 1.00 0.00 C ATOM 327 C PHE A 21 10.906 10.487 -10.782 1.00 0.00 C ATOM 328 O PHE A 21 9.812 10.353 -11.310 1.00 0.00 O ATOM 329 CB PHE A 21 13.109 10.769 -12.016 1.00 0.00 C ATOM 330 CG PHE A 21 14.056 11.706 -12.744 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.612 12.450 -13.858 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.352 11.917 -12.240 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.425 13.469 -14.390 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.158 12.940 -12.767 1.00 0.00 C ATOM 335 CZ PHE A 21 15.678 13.729 -13.824 1.00 0.00 C ATOM 0 H PHE A 21 13.284 12.364 -10.047 1.00 0.00 H new ATOM 0 HA PHE A 21 11.433 12.038 -12.178 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.663 10.237 -11.243 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.742 10.020 -12.718 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.650 12.238 -14.302 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.729 11.290 -11.445 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.082 14.049 -15.234 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.143 13.119 -12.361 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.280 14.542 -14.203 1.00 0.00 H new ATOM 345 N ALA A 22 11.224 9.838 -9.666 1.00 0.00 N ATOM 346 CA ALA A 22 10.427 8.767 -9.080 1.00 0.00 C ATOM 347 C ALA A 22 8.998 9.191 -8.805 1.00 0.00 C ATOM 348 O ALA A 22 8.084 8.431 -9.115 1.00 0.00 O ATOM 349 CB ALA A 22 11.086 8.275 -7.792 1.00 0.00 C ATOM 0 H ALA A 22 12.066 10.049 -9.130 1.00 0.00 H new ATOM 0 HA ALA A 22 10.386 7.957 -9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.486 7.475 -7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.085 7.900 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.158 9.099 -7.082 1.00 0.00 H new ATOM 355 N LYS A 23 8.776 10.393 -8.271 1.00 0.00 N ATOM 356 CA LYS A 23 7.419 10.852 -8.063 1.00 0.00 C ATOM 357 C LYS A 23 6.754 11.150 -9.405 1.00 0.00 C ATOM 358 O LYS A 23 5.588 10.840 -9.571 1.00 0.00 O ATOM 359 CB LYS A 23 7.359 12.010 -7.056 1.00 0.00 C ATOM 360 CG LYS A 23 7.802 13.358 -7.620 1.00 0.00 C ATOM 361 CD LYS A 23 7.800 14.425 -6.521 1.00 0.00 C ATOM 362 CE LYS A 23 7.635 15.790 -7.190 1.00 0.00 C ATOM 363 NZ LYS A 23 7.742 16.909 -6.223 1.00 0.00 N ATOM 0 H LYS A 23 9.505 11.046 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 23 6.836 10.056 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.338 12.102 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.987 11.764 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.801 13.270 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.135 13.658 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.988 14.245 -5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.729 14.389 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.395 15.907 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.666 15.834 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.573 17.810 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.034 16.787 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.694 16.916 -5.804 1.00 0.00 H new ATOM 377 N THR A 24 7.445 11.661 -10.416 1.00 0.00 N ATOM 378 CA THR A 24 6.792 11.899 -11.687 1.00 0.00 C ATOM 379 C THR A 24 6.395 10.568 -12.346 1.00 0.00 C ATOM 380 O THR A 24 5.294 10.419 -12.878 1.00 0.00 O ATOM 381 CB THR A 24 7.770 12.692 -12.568 1.00 0.00 C ATOM 382 OG1 THR A 24 8.198 13.867 -11.906 1.00 0.00 O ATOM 383 CG2 THR A 24 7.107 13.101 -13.875 1.00 0.00 C ATOM 0 H THR A 24 8.433 11.912 -10.380 1.00 0.00 H new ATOM 0 HA THR A 24 5.873 12.469 -11.549 1.00 0.00 H new ATOM 0 HB THR A 24 8.624 12.045 -12.770 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.863 13.635 -11.224 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.817 13.661 -14.483 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.789 12.210 -14.416 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.239 13.725 -13.663 1.00 0.00 H new ATOM 391 N LEU A 25 7.308 9.601 -12.297 1.00 0.00 N ATOM 392 CA LEU A 25 7.213 8.304 -12.938 1.00 0.00 C ATOM 393 C LEU A 25 6.183 7.431 -12.239 1.00 0.00 C ATOM 394 O LEU A 25 5.429 6.725 -12.909 1.00 0.00 O ATOM 395 CB LEU A 25 8.590 7.632 -12.890 1.00 0.00 C ATOM 396 CG LEU A 25 9.674 8.349 -13.720 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.024 7.758 -13.328 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.434 8.190 -15.222 1.00 0.00 C ATOM 0 H LEU A 25 8.179 9.714 -11.779 1.00 0.00 H new ATOM 0 HA LEU A 25 6.896 8.435 -13.973 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.919 7.578 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.494 6.607 -13.247 1.00 0.00 H new ATOM 0 HG LEU A 25 9.646 9.418 -13.511 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.814 8.245 -13.899 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.195 7.917 -12.263 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.029 6.689 -13.541 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.219 8.709 -15.773 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.447 7.132 -15.483 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.465 8.616 -15.483 1.00 0.00 H new ATOM 410 N GLY A 26 6.151 7.493 -10.906 1.00 0.00 N ATOM 411 CA GLY A 26 5.380 6.557 -10.104 1.00 0.00 C ATOM 412 C GLY A 26 4.539 7.110 -8.955 1.00 0.00 C ATOM 413 O GLY A 26 3.938 6.287 -8.262 1.00 0.00 O ATOM 0 H GLY A 26 6.657 8.191 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.712 6.016 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.073 5.827 -9.687 1.00 0.00 H new ATOM 417 N ALA A 27 4.436 8.428 -8.731 1.00 0.00 N ATOM 418 CA ALA A 27 3.469 8.984 -7.778 1.00 0.00 C ATOM 419 C ALA A 27 2.070 8.469 -8.128 1.00 0.00 C ATOM 420 O ALA A 27 1.546 8.767 -9.206 1.00 0.00 O ATOM 421 CB ALA A 27 3.483 10.527 -7.743 1.00 0.00 C ATOM 0 H ALA A 27 5.012 9.128 -9.198 1.00 0.00 H new ATOM 0 HA ALA A 27 3.755 8.652 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.748 10.881 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.474 10.875 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.237 10.916 -8.731 1.00 0.00 H new ATOM 427 N GLY A 28 1.490 7.673 -7.227 1.00 0.00 N ATOM 428 CA GLY A 28 0.208 7.003 -7.416 1.00 0.00 C ATOM 429 C GLY A 28 0.332 5.491 -7.230 1.00 0.00 C ATOM 430 O GLY A 28 -0.652 4.846 -6.865 1.00 0.00 O ATOM 0 H GLY A 28 1.914 7.473 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.519 7.399 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.172 7.218 -8.415 1.00 0.00 H new ATOM 434 N LYS A 29 1.533 4.922 -7.421 1.00 0.00 N ATOM 435 CA LYS A 29 1.806 3.496 -7.239 1.00 0.00 C ATOM 436 C LYS A 29 3.029 3.264 -6.354 1.00 0.00 C ATOM 437 O LYS A 29 3.137 2.207 -5.735 1.00 0.00 O ATOM 438 CB LYS A 29 1.836 2.770 -8.600 1.00 0.00 C ATOM 439 CG LYS A 29 2.627 3.427 -9.753 1.00 0.00 C ATOM 440 CD LYS A 29 4.145 3.245 -9.668 1.00 0.00 C ATOM 441 CE LYS A 29 4.593 1.790 -9.868 1.00 0.00 C ATOM 442 NZ LYS A 29 4.316 1.314 -11.249 1.00 0.00 N ATOM 0 H LYS A 29 2.353 5.454 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 29 0.985 3.040 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.247 1.773 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.806 2.640 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.277 3.013 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.402 4.493 -9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.622 3.872 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.492 3.595 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.660 1.706 -9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.078 1.149 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.970 0.542 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.337 0.969 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.447 2.098 -11.919 1.00 0.00 H new ATOM 456 N ILE A 30 3.901 4.260 -6.210 1.00 0.00 N ATOM 457 CA ILE A 30 4.980 4.285 -5.237 1.00 0.00 C ATOM 458 C ILE A 30 4.923 5.645 -4.551 1.00 0.00 C ATOM 459 O ILE A 30 4.405 6.618 -5.106 1.00 0.00 O ATOM 460 CB ILE A 30 6.372 4.017 -5.857 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.788 4.989 -6.985 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.451 2.560 -6.338 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.311 5.149 -7.119 1.00 0.00 C ATOM 0 H ILE A 30 3.871 5.099 -6.790 1.00 0.00 H new ATOM 0 HA ILE A 30 4.842 3.475 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 30 7.092 4.199 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.383 4.631 -7.931 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.342 5.966 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.432 2.374 -6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.296 1.889 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.681 2.382 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.534 5.844 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.720 5.536 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.761 4.181 -7.338 1.00 0.00 H new ATOM 475 N ALA A 31 5.478 5.700 -3.349 1.00 0.00 N ATOM 476 CA ALA A 31 5.732 6.922 -2.618 1.00 0.00 C ATOM 477 C ALA A 31 7.245 6.983 -2.468 1.00 0.00 C ATOM 478 O ALA A 31 7.885 5.955 -2.239 1.00 0.00 O ATOM 479 CB ALA A 31 5.022 6.870 -1.263 1.00 0.00 C ATOM 0 H ALA A 31 5.772 4.864 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 31 5.356 7.811 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.216 7.792 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.949 6.759 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.395 6.022 -0.689 1.00 0.00 H new ATOM 485 N VAL A 32 7.827 8.166 -2.619 1.00 0.00 N ATOM 486 CA VAL A 32 9.262 8.332 -2.604 1.00 0.00 C ATOM 487 C VAL A 32 9.691 9.464 -1.687 1.00 0.00 C ATOM 488 O VAL A 32 9.000 10.480 -1.558 1.00 0.00 O ATOM 489 CB VAL A 32 9.719 8.511 -4.052 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.189 9.770 -4.757 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.230 8.354 -4.160 1.00 0.00 C ATOM 0 H VAL A 32 7.310 9.035 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 32 9.748 7.450 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 32 9.249 7.704 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.571 9.803 -5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.100 9.744 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.521 10.657 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.536 8.485 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.719 9.105 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.518 7.359 -3.819 1.00 0.00 H new ATOM 501 N THR A 33 10.876 9.286 -1.115 1.00 0.00 N ATOM 502 CA THR A 33 11.592 10.293 -0.371 1.00 0.00 C ATOM 503 C THR A 33 13.085 10.146 -0.687 1.00 0.00 C ATOM 504 O THR A 33 13.536 9.095 -1.152 1.00 0.00 O ATOM 505 CB THR A 33 11.320 10.097 1.143 1.00 0.00 C ATOM 506 OG1 THR A 33 9.949 9.870 1.424 1.00 0.00 O ATOM 507 CG2 THR A 33 11.770 11.283 2.002 1.00 0.00 C ATOM 0 H THR A 33 11.376 8.399 -1.164 1.00 0.00 H new ATOM 0 HA THR A 33 11.263 11.295 -0.648 1.00 0.00 H new ATOM 0 HB THR A 33 11.911 9.218 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.863 9.420 2.290 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.549 11.078 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.842 11.434 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.239 12.182 1.689 1.00 0.00 H new ATOM 515 N SER A 34 13.862 11.189 -0.431 1.00 0.00 N ATOM 516 CA SER A 34 15.305 11.170 -0.440 1.00 0.00 C ATOM 517 C SER A 34 15.800 11.784 0.868 1.00 0.00 C ATOM 518 O SER A 34 15.082 12.560 1.508 1.00 0.00 O ATOM 519 CB SER A 34 15.817 11.907 -1.673 1.00 0.00 C ATOM 520 OG SER A 34 15.545 13.294 -1.646 1.00 0.00 O ATOM 0 H SER A 34 13.481 12.107 -0.202 1.00 0.00 H new ATOM 0 HA SER A 34 15.690 10.152 -0.501 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.893 11.756 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.363 11.472 -2.563 1.00 0.00 H new ATOM 0 HG SER A 34 14.606 13.448 -1.880 1.00 0.00 H new ATOM 526 N CYS A 35 17.027 11.461 1.274 1.00 0.00 N ATOM 527 CA CYS A 35 17.637 12.042 2.450 1.00 0.00 C ATOM 528 C CYS A 35 19.150 12.008 2.253 1.00 0.00 C ATOM 529 O CYS A 35 19.626 11.808 1.128 1.00 0.00 O ATOM 530 CB CYS A 35 17.148 11.304 3.710 1.00 0.00 C ATOM 531 SG CYS A 35 17.664 9.566 3.699 1.00 0.00 S ATOM 0 H CYS A 35 17.620 10.787 0.790 1.00 0.00 H new ATOM 0 HA CYS A 35 17.346 13.083 2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.543 11.797 4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 35 16.061 11.362 3.769 1.00 0.00 H new ATOM 0 HG CYS A 35 16.845 8.875 2.963 1.00 0.00 H new ATOM 537 N GLY A 36 19.911 12.203 3.322 1.00 0.00 N ATOM 538 CA GLY A 36 21.343 11.991 3.336 1.00 0.00 C ATOM 539 C GLY A 36 21.789 11.696 4.758 1.00 0.00 C ATOM 540 O GLY A 36 21.089 12.046 5.713 1.00 0.00 O ATOM 0 H GLY A 36 19.538 12.519 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.607 11.162 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.857 12.874 2.956 1.00 0.00 H new ATOM 544 N LEU A 37 22.964 11.076 4.881 1.00 0.00 N ATOM 545 CA LEU A 37 23.665 10.837 6.144 1.00 0.00 C ATOM 546 C LEU A 37 23.814 12.144 6.933 1.00 0.00 C ATOM 547 O LEU A 37 23.839 12.127 8.164 1.00 0.00 O ATOM 548 CB LEU A 37 25.035 10.186 5.878 1.00 0.00 C ATOM 549 CG LEU A 37 24.953 8.712 5.424 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.317 8.251 4.896 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.515 7.784 6.566 1.00 0.00 C ATOM 0 H LEU A 37 23.472 10.713 4.074 1.00 0.00 H new ATOM 0 HA LEU A 37 23.075 10.149 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.557 10.762 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.635 10.243 6.786 1.00 0.00 H new ATOM 0 HG LEU A 37 24.204 8.656 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.251 7.211 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 37 26.608 8.872 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.063 8.342 5.686 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.470 6.757 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.233 7.849 7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.530 8.086 6.923 1.00 0.00 H new ATOM 563 N GLU A 38 23.880 13.270 6.223 1.00 0.00 N ATOM 564 CA GLU A 38 23.790 14.619 6.744 1.00 0.00 C ATOM 565 C GLU A 38 23.043 15.412 5.666 1.00 0.00 C ATOM 566 O GLU A 38 23.145 15.109 4.469 1.00 0.00 O ATOM 567 CB GLU A 38 25.188 15.185 7.028 1.00 0.00 C ATOM 568 CG GLU A 38 25.137 16.490 7.834 1.00 0.00 C ATOM 569 CD GLU A 38 26.547 16.969 8.223 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.206 17.668 7.419 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.009 16.670 9.348 1.00 0.00 O ATOM 0 H GLU A 38 24.005 13.256 5.211 1.00 0.00 H new ATOM 0 HA GLU A 38 23.263 14.668 7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.772 14.445 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.704 15.364 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.639 17.262 7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.542 16.340 8.734 1.00 0.00 H new ATOM 578 N SER A 39 22.251 16.388 6.093 1.00 0.00 N ATOM 579 CA SER A 39 21.492 17.264 5.211 1.00 0.00 C ATOM 580 C SER A 39 22.411 18.260 4.480 1.00 0.00 C ATOM 581 O SER A 39 23.518 18.571 4.931 1.00 0.00 O ATOM 582 CB SER A 39 20.405 17.977 6.038 1.00 0.00 C ATOM 583 OG SER A 39 20.853 18.292 7.352 1.00 0.00 O ATOM 0 H SER A 39 22.116 16.596 7.082 1.00 0.00 H new ATOM 0 HA SER A 39 21.011 16.672 4.433 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.105 18.893 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.521 17.342 6.099 1.00 0.00 H new ATOM 0 HG SER A 39 20.135 18.744 7.843 1.00 0.00 H new ATOM 589 N SER A 40 21.916 18.798 3.366 1.00 0.00 N ATOM 590 CA SER A 40 22.489 19.904 2.605 1.00 0.00 C ATOM 591 C SER A 40 21.330 20.584 1.865 1.00 0.00 C ATOM 592 O SER A 40 20.239 20.012 1.789 1.00 0.00 O ATOM 593 CB SER A 40 23.563 19.377 1.638 1.00 0.00 C ATOM 594 OG SER A 40 23.134 18.238 0.915 1.00 0.00 O ATOM 0 H SER A 40 21.053 18.452 2.947 1.00 0.00 H new ATOM 0 HA SER A 40 22.984 20.627 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.834 20.167 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.462 19.128 2.201 1.00 0.00 H new ATOM 0 HG SER A 40 23.706 18.115 0.128 1.00 0.00 H new ATOM 600 N ARG A 41 21.509 21.797 1.328 1.00 0.00 N ATOM 601 CA ARG A 41 20.482 22.411 0.483 1.00 0.00 C ATOM 602 C ARG A 41 20.330 21.603 -0.807 1.00 0.00 C ATOM 603 O ARG A 41 21.291 20.977 -1.258 1.00 0.00 O ATOM 604 CB ARG A 41 20.807 23.888 0.181 1.00 0.00 C ATOM 605 CG ARG A 41 22.172 24.136 -0.501 1.00 0.00 C ATOM 606 CD ARG A 41 22.184 25.441 -1.308 1.00 0.00 C ATOM 607 NE ARG A 41 21.311 25.328 -2.490 1.00 0.00 N ATOM 608 CZ ARG A 41 20.861 26.317 -3.267 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.266 27.571 -3.087 1.00 0.00 N ATOM 610 NH2 ARG A 41 19.993 26.012 -4.225 1.00 0.00 N ATOM 0 H ARG A 41 22.345 22.366 1.462 1.00 0.00 H new ATOM 0 HA ARG A 41 19.535 22.399 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.021 24.293 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.779 24.448 1.116 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.955 24.171 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.405 23.300 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.849 26.267 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.202 25.672 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 41 21.016 24.385 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.931 27.791 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.911 28.313 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.690 25.046 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.630 26.744 -4.836 1.00 0.00 H new ATOM 624 N VAL A 42 19.155 21.657 -1.436 1.00 0.00 N ATOM 625 CA VAL A 42 18.988 21.105 -2.782 1.00 0.00 C ATOM 626 C VAL A 42 19.914 21.897 -3.709 1.00 0.00 C ATOM 627 O VAL A 42 19.960 23.131 -3.644 1.00 0.00 O ATOM 628 CB VAL A 42 17.523 21.154 -3.259 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.397 20.475 -4.634 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.590 20.463 -2.252 1.00 0.00 C ATOM 0 H VAL A 42 18.312 22.073 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 42 19.252 20.048 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 42 17.227 22.200 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.359 20.513 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.027 20.995 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.715 19.435 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.563 20.513 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.885 19.420 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.659 20.966 -1.287 1.00 0.00 H new ATOM 640 N HIS A 43 20.676 21.200 -4.546 1.00 0.00 N ATOM 641 CA HIS A 43 21.660 21.817 -5.417 1.00 0.00 C ATOM 642 C HIS A 43 20.944 22.528 -6.575 1.00 0.00 C ATOM 643 O HIS A 43 19.967 21.987 -7.094 1.00 0.00 O ATOM 644 CB HIS A 43 22.632 20.731 -5.901 1.00 0.00 C ATOM 645 CG HIS A 43 24.018 21.257 -6.153 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.552 21.600 -7.370 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.971 21.518 -5.204 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.797 22.058 -7.163 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.102 22.026 -5.854 1.00 0.00 N ATOM 0 H HIS A 43 20.625 20.185 -4.637 1.00 0.00 H new ATOM 0 HA HIS A 43 22.238 22.574 -4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.680 19.936 -5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.245 20.287 -6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.868 21.360 -4.141 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.462 22.404 -7.941 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.980 22.314 -5.422 1.00 0.00 H new ATOM 657 N PRO A 44 21.388 23.720 -7.013 1.00 0.00 N ATOM 658 CA PRO A 44 20.613 24.516 -7.953 1.00 0.00 C ATOM 659 C PRO A 44 20.683 23.960 -9.370 1.00 0.00 C ATOM 660 O PRO A 44 19.661 23.872 -10.037 1.00 0.00 O ATOM 661 CB PRO A 44 21.182 25.934 -7.851 1.00 0.00 C ATOM 662 CG PRO A 44 22.634 25.715 -7.421 1.00 0.00 C ATOM 663 CD PRO A 44 22.587 24.432 -6.590 1.00 0.00 C ATOM 0 HA PRO A 44 19.551 24.500 -7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 44 21.122 26.459 -8.805 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.635 26.533 -7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.293 25.608 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.008 26.555 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.478 23.827 -6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.550 24.659 -5.525 1.00 0.00 H new ATOM 671 N THR A 45 21.840 23.511 -9.845 1.00 0.00 N ATOM 672 CA THR A 45 21.952 22.998 -11.206 1.00 0.00 C ATOM 673 C THR A 45 21.091 21.743 -11.409 1.00 0.00 C ATOM 674 O THR A 45 20.606 21.503 -12.512 1.00 0.00 O ATOM 675 CB THR A 45 23.442 22.733 -11.469 1.00 0.00 C ATOM 676 OG1 THR A 45 24.191 23.896 -11.153 1.00 0.00 O ATOM 677 CG2 THR A 45 23.761 22.274 -12.888 1.00 0.00 C ATOM 0 H THR A 45 22.709 23.492 -9.311 1.00 0.00 H new ATOM 0 HA THR A 45 21.573 23.726 -11.924 1.00 0.00 H new ATOM 0 HB THR A 45 23.722 21.901 -10.823 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.142 23.728 -11.319 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.834 22.110 -12.985 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.232 21.344 -13.097 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.445 23.039 -13.597 1.00 0.00 H new ATOM 685 N ALA A 46 20.801 20.996 -10.339 1.00 0.00 N ATOM 686 CA ALA A 46 19.885 19.864 -10.374 1.00 0.00 C ATOM 687 C ALA A 46 18.547 20.246 -10.995 1.00 0.00 C ATOM 688 O ALA A 46 17.976 19.469 -11.764 1.00 0.00 O ATOM 689 CB ALA A 46 19.621 19.422 -8.938 1.00 0.00 C ATOM 0 H ALA A 46 21.203 21.167 -9.417 1.00 0.00 H new ATOM 0 HA ALA A 46 20.338 19.073 -10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.936 18.574 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.560 19.130 -8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.177 20.246 -8.379 1.00 0.00 H new ATOM 695 N ILE A 47 18.068 21.453 -10.673 1.00 0.00 N ATOM 696 CA ILE A 47 16.823 21.976 -11.166 1.00 0.00 C ATOM 697 C ILE A 47 16.869 21.949 -12.691 1.00 0.00 C ATOM 698 O ILE A 47 15.920 21.510 -13.330 1.00 0.00 O ATOM 699 CB ILE A 47 16.658 23.418 -10.642 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.633 23.486 -9.095 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.417 24.067 -11.249 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.923 24.893 -8.560 1.00 0.00 C ATOM 0 H ILE A 47 18.558 22.094 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 47 15.975 21.382 -10.826 1.00 0.00 H new ATOM 0 HB ILE A 47 17.535 23.983 -10.960 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.657 23.160 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.369 22.790 -8.693 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.315 25.084 -10.869 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.514 24.093 -12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.534 23.488 -10.978 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.893 24.881 -7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.911 25.212 -8.892 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.172 25.587 -8.937 1.00 0.00 H new ATOM 714 N ALA A 48 17.986 22.403 -13.265 1.00 0.00 N ATOM 715 CA ALA A 48 18.137 22.629 -14.681 1.00 0.00 C ATOM 716 C ALA A 48 18.058 21.309 -15.432 1.00 0.00 C ATOM 717 O ALA A 48 17.464 21.233 -16.501 1.00 0.00 O ATOM 718 CB ALA A 48 19.465 23.340 -14.946 1.00 0.00 C ATOM 0 H ALA A 48 18.826 22.626 -12.731 1.00 0.00 H new ATOM 0 HA ALA A 48 17.328 23.266 -15.039 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.579 23.511 -16.016 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.477 24.296 -14.423 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.287 22.720 -14.588 1.00 0.00 H new ATOM 724 N MET A 49 18.634 20.260 -14.853 1.00 0.00 N ATOM 725 CA MET A 49 18.686 18.948 -15.474 1.00 0.00 C ATOM 726 C MET A 49 17.284 18.313 -15.515 1.00 0.00 C ATOM 727 O MET A 49 16.827 17.758 -16.528 1.00 0.00 O ATOM 728 CB MET A 49 19.687 18.077 -14.704 1.00 0.00 C ATOM 729 CG MET A 49 20.947 18.763 -14.166 1.00 0.00 C ATOM 730 SD MET A 49 21.737 20.095 -15.132 1.00 0.00 S ATOM 731 CE MET A 49 22.067 19.271 -16.696 1.00 0.00 C ATOM 0 H MET A 49 19.079 20.300 -13.936 1.00 0.00 H new ATOM 0 HA MET A 49 19.022 19.036 -16.507 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.163 17.625 -13.862 1.00 0.00 H new ATOM 0 HB3 MET A 49 19.999 17.263 -15.358 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.701 19.174 -13.187 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.697 17.988 -14.007 1.00 0.00 H new ATOM 0 HE1 MET A 49 23.115 19.406 -16.964 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.851 18.207 -16.599 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.435 19.700 -17.474 1.00 0.00 H new ATOM 741 N MET A 50 16.567 18.424 -14.401 1.00 0.00 N ATOM 742 CA MET A 50 15.191 17.976 -14.315 1.00 0.00 C ATOM 743 C MET A 50 14.321 18.813 -15.240 1.00 0.00 C ATOM 744 O MET A 50 13.456 18.255 -15.908 1.00 0.00 O ATOM 745 CB MET A 50 14.717 18.027 -12.861 1.00 0.00 C ATOM 746 CG MET A 50 15.497 16.994 -12.036 1.00 0.00 C ATOM 747 SD MET A 50 14.528 16.162 -10.759 1.00 0.00 S ATOM 748 CE MET A 50 13.469 15.151 -11.797 1.00 0.00 C ATOM 0 H MET A 50 16.928 18.827 -13.536 1.00 0.00 H new ATOM 0 HA MET A 50 15.113 16.940 -14.643 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.869 19.026 -12.452 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.648 17.820 -12.808 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.904 16.242 -12.712 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.345 17.491 -11.564 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.432 15.268 -11.482 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.570 15.466 -12.836 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.761 14.105 -11.705 1.00 0.00 H new ATOM 758 N GLU A 51 14.603 20.107 -15.379 1.00 0.00 N ATOM 759 CA GLU A 51 13.917 20.977 -16.326 1.00 0.00 C ATOM 760 C GLU A 51 14.159 20.533 -17.768 1.00 0.00 C ATOM 761 O GLU A 51 13.301 20.769 -18.619 1.00 0.00 O ATOM 762 CB GLU A 51 14.373 22.426 -16.126 1.00 0.00 C ATOM 763 CG GLU A 51 13.642 23.154 -14.985 1.00 0.00 C ATOM 764 CD GLU A 51 12.266 23.725 -15.390 1.00 0.00 C ATOM 765 OE1 GLU A 51 11.510 23.092 -16.162 1.00 0.00 O ATOM 766 OE2 GLU A 51 11.926 24.843 -14.939 1.00 0.00 O ATOM 0 H GLU A 51 15.320 20.583 -14.832 1.00 0.00 H new ATOM 0 HA GLU A 51 12.846 20.910 -16.137 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.444 22.436 -15.923 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.219 22.977 -17.054 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.507 22.463 -14.153 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.271 23.968 -14.624 1.00 0.00 H new ATOM 773 N GLU A 52 15.275 19.851 -18.056 1.00 0.00 N ATOM 774 CA GLU A 52 15.491 19.274 -19.377 1.00 0.00 C ATOM 775 C GLU A 52 14.480 18.165 -19.627 1.00 0.00 C ATOM 776 O GLU A 52 13.956 18.041 -20.736 1.00 0.00 O ATOM 777 CB GLU A 52 16.894 18.694 -19.583 1.00 0.00 C ATOM 778 CG GLU A 52 18.017 19.696 -19.294 1.00 0.00 C ATOM 779 CD GLU A 52 19.317 19.344 -20.035 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.997 18.379 -19.619 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.660 20.025 -21.029 1.00 0.00 O ATOM 0 H GLU A 52 16.034 19.689 -17.394 1.00 0.00 H new ATOM 0 HA GLU A 52 15.372 20.098 -20.080 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.018 17.825 -18.937 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.986 18.343 -20.611 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.694 20.695 -19.586 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.209 19.724 -18.221 1.00 0.00 H new ATOM 788 N VAL A 53 14.200 17.367 -18.592 1.00 0.00 N ATOM 789 CA VAL A 53 13.198 16.302 -18.726 1.00 0.00 C ATOM 790 C VAL A 53 11.772 16.887 -18.669 1.00 0.00 C ATOM 791 O VAL A 53 10.848 16.309 -19.246 1.00 0.00 O ATOM 792 CB VAL A 53 13.472 15.192 -17.693 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.442 14.053 -17.728 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.854 14.571 -17.971 1.00 0.00 C ATOM 0 H VAL A 53 14.639 17.433 -17.674 1.00 0.00 H new ATOM 0 HA VAL A 53 13.277 15.831 -19.706 1.00 0.00 H new ATOM 0 HB VAL A 53 13.417 15.668 -16.714 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.698 13.308 -16.975 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.450 14.453 -17.520 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.447 13.588 -18.714 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.053 13.785 -17.243 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.867 14.147 -18.975 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.621 15.341 -17.892 1.00 0.00 H new ATOM 804 N GLY A 54 11.591 18.048 -18.034 1.00 0.00 N ATOM 805 CA GLY A 54 10.309 18.728 -17.882 1.00 0.00 C ATOM 806 C GLY A 54 9.780 18.623 -16.450 1.00 0.00 C ATOM 807 O GLY A 54 8.565 18.648 -16.246 1.00 0.00 O ATOM 0 H GLY A 54 12.361 18.555 -17.598 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.419 19.778 -18.153 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.583 18.295 -18.571 1.00 0.00 H new ATOM 811 N ILE A 55 10.674 18.466 -15.469 1.00 0.00 N ATOM 812 CA ILE A 55 10.353 18.357 -14.043 1.00 0.00 C ATOM 813 C ILE A 55 11.118 19.483 -13.314 1.00 0.00 C ATOM 814 O ILE A 55 11.858 20.242 -13.939 1.00 0.00 O ATOM 815 CB ILE A 55 10.680 16.919 -13.562 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.977 15.827 -14.411 1.00 0.00 C ATOM 817 CG2 ILE A 55 10.299 16.666 -12.088 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.820 14.554 -14.466 1.00 0.00 C ATOM 0 H ILE A 55 11.676 18.409 -15.653 1.00 0.00 H new ATOM 0 HA ILE A 55 9.294 18.498 -13.825 1.00 0.00 H new ATOM 0 HB ILE A 55 11.762 16.849 -13.678 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.999 15.603 -13.985 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.807 16.199 -15.421 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.554 15.642 -11.817 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.845 17.358 -11.447 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.228 16.819 -11.958 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.306 13.803 -15.067 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.788 14.778 -14.915 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.968 14.172 -13.456 1.00 0.00 H new ATOM 830 N ASP A 56 10.946 19.629 -12.001 1.00 0.00 N ATOM 831 CA ASP A 56 11.551 20.680 -11.186 1.00 0.00 C ATOM 832 C ASP A 56 11.951 20.103 -9.827 1.00 0.00 C ATOM 833 O ASP A 56 11.356 19.120 -9.379 1.00 0.00 O ATOM 834 CB ASP A 56 10.534 21.813 -10.979 1.00 0.00 C ATOM 835 CG ASP A 56 11.035 22.832 -9.950 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.149 23.366 -10.146 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.368 23.028 -8.910 1.00 0.00 O ATOM 0 H ASP A 56 10.360 18.996 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 56 12.435 21.070 -11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.347 22.314 -11.929 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.584 21.395 -10.647 1.00 0.00 H new ATOM 842 N ILE A 57 12.918 20.742 -9.160 1.00 0.00 N ATOM 843 CA ILE A 57 13.272 20.457 -7.771 1.00 0.00 C ATOM 844 C ILE A 57 13.277 21.724 -6.899 1.00 0.00 C ATOM 845 O ILE A 57 13.193 21.603 -5.681 1.00 0.00 O ATOM 846 CB ILE A 57 14.596 19.676 -7.635 1.00 0.00 C ATOM 847 CG1 ILE A 57 15.095 18.942 -8.896 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.441 18.667 -6.494 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.394 18.179 -8.630 1.00 0.00 C ATOM 0 H ILE A 57 13.483 21.481 -9.578 1.00 0.00 H new ATOM 0 HA ILE A 57 12.484 19.804 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 57 15.359 20.431 -7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.329 18.247 -9.240 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.254 19.663 -9.698 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.366 18.102 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.222 19.197 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.624 17.982 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.713 17.675 -9.542 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.168 18.878 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.228 17.440 -7.846 1.00 0.00 H new ATOM 861 N SER A 58 13.317 22.925 -7.484 1.00 0.00 N ATOM 862 CA SER A 58 13.190 24.204 -6.775 1.00 0.00 C ATOM 863 C SER A 58 12.043 24.205 -5.747 1.00 0.00 C ATOM 864 O SER A 58 12.178 24.777 -4.663 1.00 0.00 O ATOM 865 CB SER A 58 12.918 25.344 -7.770 1.00 0.00 C ATOM 866 OG SER A 58 13.566 25.159 -9.003 1.00 0.00 O ATOM 0 H SER A 58 13.442 23.039 -8.490 1.00 0.00 H new ATOM 0 HA SER A 58 14.135 24.350 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.844 25.424 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.244 26.287 -7.332 1.00 0.00 H new ATOM 0 HG SER A 58 12.926 24.815 -9.660 1.00 0.00 H new ATOM 872 N GLY A 59 10.913 23.577 -6.095 1.00 0.00 N ATOM 873 CA GLY A 59 9.680 23.603 -5.321 1.00 0.00 C ATOM 874 C GLY A 59 9.667 22.647 -4.127 1.00 0.00 C ATOM 875 O GLY A 59 8.700 22.669 -3.362 1.00 0.00 O ATOM 0 H GLY A 59 10.836 23.023 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.512 24.618 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.847 23.356 -5.979 1.00 0.00 H new ATOM 879 N GLN A 60 10.704 21.822 -3.942 1.00 0.00 N ATOM 880 CA GLN A 60 10.835 20.881 -2.843 1.00 0.00 C ATOM 881 C GLN A 60 12.171 21.078 -2.117 1.00 0.00 C ATOM 882 O GLN A 60 13.071 21.754 -2.619 1.00 0.00 O ATOM 883 CB GLN A 60 10.611 19.452 -3.369 1.00 0.00 C ATOM 884 CG GLN A 60 11.710 18.916 -4.299 1.00 0.00 C ATOM 885 CD GLN A 60 11.453 17.487 -4.783 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.330 17.106 -5.109 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.494 16.678 -4.874 1.00 0.00 N ATOM 0 H GLN A 60 11.499 21.797 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 60 10.069 21.065 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.519 18.779 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.661 19.423 -3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.797 19.574 -5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.666 18.948 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.420 17.006 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.371 15.726 -5.218 1.00 0.00 H new ATOM 896 N THR A 61 12.298 20.499 -0.924 1.00 0.00 N ATOM 897 CA THR A 61 13.416 20.736 -0.018 1.00 0.00 C ATOM 898 C THR A 61 14.054 19.420 0.437 1.00 0.00 C ATOM 899 O THR A 61 13.547 18.326 0.162 1.00 0.00 O ATOM 900 CB THR A 61 12.930 21.600 1.163 1.00 0.00 C ATOM 901 OG1 THR A 61 11.753 21.071 1.754 1.00 0.00 O ATOM 902 CG2 THR A 61 12.596 23.013 0.686 1.00 0.00 C ATOM 0 H THR A 61 11.613 19.840 -0.555 1.00 0.00 H new ATOM 0 HA THR A 61 14.202 21.281 -0.540 1.00 0.00 H new ATOM 0 HB THR A 61 13.739 21.609 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.476 21.643 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.254 23.611 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.486 23.471 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.809 22.966 -0.067 1.00 0.00 H new ATOM 910 N SER A 62 15.195 19.540 1.110 1.00 0.00 N ATOM 911 CA SER A 62 15.995 18.438 1.614 1.00 0.00 C ATOM 912 C SER A 62 15.547 17.994 3.011 1.00 0.00 C ATOM 913 O SER A 62 14.732 18.659 3.660 1.00 0.00 O ATOM 914 CB SER A 62 17.459 18.884 1.579 1.00 0.00 C ATOM 915 OG SER A 62 17.617 20.227 2.001 1.00 0.00 O ATOM 0 H SER A 62 15.601 20.450 1.326 1.00 0.00 H new ATOM 0 HA SER A 62 15.864 17.556 0.986 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.052 18.231 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.847 18.775 0.566 1.00 0.00 H new ATOM 0 HG SER A 62 18.555 20.493 1.902 1.00 0.00 H new ATOM 921 N ASP A 63 16.070 16.851 3.470 1.00 0.00 N ATOM 922 CA ASP A 63 15.678 16.221 4.731 1.00 0.00 C ATOM 923 C ASP A 63 16.812 15.286 5.189 1.00 0.00 C ATOM 924 O ASP A 63 17.365 14.577 4.342 1.00 0.00 O ATOM 925 CB ASP A 63 14.376 15.427 4.498 1.00 0.00 C ATOM 926 CG ASP A 63 13.395 15.568 5.667 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.689 15.074 6.772 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.312 16.169 5.481 1.00 0.00 O ATOM 0 H ASP A 63 16.789 16.332 2.966 1.00 0.00 H new ATOM 0 HA ASP A 63 15.504 16.969 5.505 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.899 15.775 3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.616 14.374 4.352 1.00 0.00 H new ATOM 933 N PRO A 64 17.229 15.275 6.468 1.00 0.00 N ATOM 934 CA PRO A 64 18.257 14.356 6.958 1.00 0.00 C ATOM 935 C PRO A 64 17.690 12.943 7.173 1.00 0.00 C ATOM 936 O PRO A 64 16.506 12.771 7.469 1.00 0.00 O ATOM 937 CB PRO A 64 18.735 14.968 8.279 1.00 0.00 C ATOM 938 CG PRO A 64 17.496 15.695 8.801 1.00 0.00 C ATOM 939 CD PRO A 64 16.813 16.185 7.523 1.00 0.00 C ATOM 0 HA PRO A 64 19.071 14.240 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.076 14.203 8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.569 15.653 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.850 15.029 9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.762 16.523 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.729 16.182 7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.107 17.209 7.292 1.00 0.00 H new ATOM 947 N ILE A 65 18.555 11.924 7.098 1.00 0.00 N ATOM 948 CA ILE A 65 18.194 10.526 7.364 1.00 0.00 C ATOM 949 C ILE A 65 17.574 10.365 8.760 1.00 0.00 C ATOM 950 O ILE A 65 16.659 9.564 8.958 1.00 0.00 O ATOM 951 CB ILE A 65 19.422 9.622 7.149 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.961 8.156 7.083 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.546 9.838 8.185 1.00 0.00 C ATOM 954 CD1 ILE A 65 20.088 7.237 6.625 1.00 0.00 C ATOM 0 H ILE A 65 19.536 12.048 6.848 1.00 0.00 H new ATOM 0 HA ILE A 65 17.425 10.213 6.657 1.00 0.00 H new ATOM 0 HB ILE A 65 19.878 9.902 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.608 7.840 8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 65 18.118 8.069 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.376 9.166 7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.893 10.870 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.164 9.631 9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.728 6.209 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.423 7.538 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.921 7.306 7.325 1.00 0.00 H new ATOM 966 N GLU A 66 18.057 11.164 9.717 1.00 0.00 N ATOM 967 CA GLU A 66 17.725 11.094 11.136 1.00 0.00 C ATOM 968 C GLU A 66 16.225 11.301 11.392 1.00 0.00 C ATOM 969 O GLU A 66 15.711 10.895 12.436 1.00 0.00 O ATOM 970 CB GLU A 66 18.536 12.160 11.900 1.00 0.00 C ATOM 971 CG GLU A 66 20.045 12.150 11.596 1.00 0.00 C ATOM 972 CD GLU A 66 20.823 13.036 12.586 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.924 14.264 12.366 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.357 12.512 13.590 1.00 0.00 O ATOM 0 H GLU A 66 18.721 11.910 9.509 1.00 0.00 H new ATOM 0 HA GLU A 66 17.980 10.095 11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.136 13.145 11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.392 12.010 12.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.421 11.128 11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.215 12.502 10.579 1.00 0.00 H new ATOM 981 N ASN A 67 15.522 11.940 10.450 1.00 0.00 N ATOM 982 CA ASN A 67 14.105 12.262 10.563 1.00 0.00 C ATOM 983 C ASN A 67 13.198 11.065 10.223 1.00 0.00 C ATOM 984 O ASN A 67 11.977 11.183 10.331 1.00 0.00 O ATOM 985 CB ASN A 67 13.811 13.462 9.652 1.00 0.00 C ATOM 986 CG ASN A 67 12.425 14.071 9.861 1.00 0.00 C ATOM 987 OD1 ASN A 67 11.873 14.084 10.959 1.00 0.00 O ATOM 988 ND2 ASN A 67 11.858 14.639 8.814 1.00 0.00 N ATOM 0 H ASN A 67 15.936 12.252 9.572 1.00 0.00 H new ATOM 0 HA ASN A 67 13.882 12.514 11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.565 14.230 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.907 13.149 8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.951 15.096 8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.326 14.621 7.908 1.00 0.00 H new ATOM 995 N PHE A 68 13.749 9.909 9.823 1.00 0.00 N ATOM 996 CA PHE A 68 12.982 8.758 9.371 1.00 0.00 C ATOM 997 C PHE A 68 13.424 7.466 10.065 1.00 0.00 C ATOM 998 O PHE A 68 14.358 7.438 10.869 1.00 0.00 O ATOM 999 CB PHE A 68 13.166 8.611 7.857 1.00 0.00 C ATOM 1000 CG PHE A 68 12.772 9.818 7.040 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.430 9.997 6.662 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.744 10.764 6.669 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.055 11.143 5.936 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.370 11.900 5.937 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.025 12.097 5.578 1.00 0.00 C ATOM 0 H PHE A 68 14.757 9.754 9.808 1.00 0.00 H new ATOM 0 HA PHE A 68 11.934 8.924 9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.212 8.382 7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.581 7.756 7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.689 9.258 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.777 10.616 6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.023 11.290 5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.117 12.625 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.737 12.980 5.028 1.00 0.00 H new ATOM 1015 N ASN A 69 12.750 6.383 9.680 1.00 0.00 N ATOM 1016 CA ASN A 69 13.047 4.992 9.986 1.00 0.00 C ATOM 1017 C ASN A 69 12.918 4.222 8.676 1.00 0.00 C ATOM 1018 O ASN A 69 11.985 4.467 7.907 1.00 0.00 O ATOM 1019 CB ASN A 69 12.090 4.415 11.053 1.00 0.00 C ATOM 1020 CG ASN A 69 10.620 4.846 10.982 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.987 5.047 12.014 1.00 0.00 O ATOM 1022 ND2 ASN A 69 10.032 5.016 9.807 1.00 0.00 N ATOM 0 H ASN A 69 11.916 6.467 9.099 1.00 0.00 H new ATOM 0 HA ASN A 69 14.050 4.906 10.404 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.127 3.328 10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.475 4.688 12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.057 5.313 9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.554 4.850 8.947 1.00 0.00 H new ATOM 1029 N ALA A 70 13.825 3.283 8.437 1.00 0.00 N ATOM 1030 CA ALA A 70 13.856 2.450 7.244 1.00 0.00 C ATOM 1031 C ALA A 70 12.653 1.515 7.181 1.00 0.00 C ATOM 1032 O ALA A 70 12.276 1.103 6.092 1.00 0.00 O ATOM 1033 CB ALA A 70 15.130 1.606 7.225 1.00 0.00 C ATOM 0 H ALA A 70 14.582 3.075 9.089 1.00 0.00 H new ATOM 0 HA ALA A 70 13.830 3.117 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.143 0.987 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.001 2.262 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.156 0.967 8.108 1.00 0.00 H new ATOM 1039 N ASP A 71 12.050 1.179 8.325 1.00 0.00 N ATOM 1040 CA ASP A 71 10.963 0.204 8.422 1.00 0.00 C ATOM 1041 C ASP A 71 9.730 0.617 7.609 1.00 0.00 C ATOM 1042 O ASP A 71 8.942 -0.234 7.196 1.00 0.00 O ATOM 1043 CB ASP A 71 10.581 0.022 9.896 1.00 0.00 C ATOM 1044 CG ASP A 71 9.431 -0.985 10.068 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.655 -2.203 9.885 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.309 -0.572 10.439 1.00 0.00 O ATOM 0 H ASP A 71 12.309 1.585 9.224 1.00 0.00 H new ATOM 0 HA ASP A 71 11.320 -0.736 8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.451 -0.320 10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.288 0.984 10.317 1.00 0.00 H new ATOM 1051 N ASP A 72 9.563 1.921 7.360 1.00 0.00 N ATOM 1052 CA ASP A 72 8.444 2.466 6.613 1.00 0.00 C ATOM 1053 C ASP A 72 8.705 2.370 5.111 1.00 0.00 C ATOM 1054 O ASP A 72 7.770 2.434 4.319 1.00 0.00 O ATOM 1055 CB ASP A 72 8.211 3.922 7.036 1.00 0.00 C ATOM 1056 CG ASP A 72 6.946 4.523 6.406 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.852 3.928 6.528 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.017 5.644 5.854 1.00 0.00 O ATOM 0 H ASP A 72 10.219 2.633 7.682 1.00 0.00 H new ATOM 0 HA ASP A 72 7.547 1.886 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.131 3.973 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.075 4.522 6.751 1.00 0.00 H new ATOM 1063 N TYR A 73 9.965 2.182 4.708 1.00 0.00 N ATOM 1064 CA TYR A 73 10.407 2.120 3.340 1.00 0.00 C ATOM 1065 C TYR A 73 10.528 0.657 2.936 1.00 0.00 C ATOM 1066 O TYR A 73 11.239 -0.122 3.567 1.00 0.00 O ATOM 1067 CB TYR A 73 11.706 2.917 3.173 1.00 0.00 C ATOM 1068 CG TYR A 73 11.496 4.402 3.412 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.958 5.196 2.384 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.784 4.982 4.663 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.702 6.557 2.603 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.546 6.351 4.898 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.988 7.141 3.858 1.00 0.00 C ATOM 1074 OH TYR A 73 10.745 8.471 4.018 1.00 0.00 O ATOM 0 H TYR A 73 10.731 2.065 5.371 1.00 0.00 H new ATOM 0 HA TYR A 73 9.685 2.584 2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.455 2.540 3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.099 2.763 2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.741 4.756 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.193 4.369 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.285 7.161 1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.784 6.793 5.854 1.00 0.00 H new ATOM 0 HH TYR A 73 11.030 8.750 4.913 1.00 0.00 H new ATOM 1084 N ASP A 74 9.808 0.268 1.885 1.00 0.00 N ATOM 1085 CA ASP A 74 9.918 -1.084 1.344 1.00 0.00 C ATOM 1086 C ASP A 74 11.243 -1.241 0.601 1.00 0.00 C ATOM 1087 O ASP A 74 11.817 -2.328 0.578 1.00 0.00 O ATOM 1088 CB ASP A 74 8.744 -1.385 0.409 1.00 0.00 C ATOM 1089 CG ASP A 74 8.654 -2.890 0.111 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.169 -3.632 0.993 1.00 0.00 O ATOM 1091 OD2 ASP A 74 8.971 -3.315 -1.023 1.00 0.00 O ATOM 0 H ASP A 74 9.145 0.868 1.393 1.00 0.00 H new ATOM 0 HA ASP A 74 9.889 -1.795 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.814 -1.044 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.864 -0.832 -0.523 1.00 0.00 H new ATOM 1096 N VAL A 75 11.758 -0.144 0.036 1.00 0.00 N ATOM 1097 CA VAL A 75 12.907 -0.190 -0.860 1.00 0.00 C ATOM 1098 C VAL A 75 13.857 0.964 -0.562 1.00 0.00 C ATOM 1099 O VAL A 75 13.427 2.109 -0.417 1.00 0.00 O ATOM 1100 CB VAL A 75 12.424 -0.279 -2.329 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.047 0.311 -2.660 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.469 0.174 -3.356 1.00 0.00 C ATOM 0 H VAL A 75 11.389 0.794 0.189 1.00 0.00 H new ATOM 0 HA VAL A 75 13.495 -1.092 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 75 12.284 -1.356 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.840 0.178 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.282 -0.199 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.039 1.374 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.056 0.082 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.737 1.214 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.358 -0.451 -3.271 1.00 0.00 H new ATOM 1112 N VAL A 76 15.156 0.661 -0.492 1.00 0.00 N ATOM 1113 CA VAL A 76 16.192 1.609 -0.123 1.00 0.00 C ATOM 1114 C VAL A 76 17.294 1.625 -1.186 1.00 0.00 C ATOM 1115 O VAL A 76 17.846 0.593 -1.574 1.00 0.00 O ATOM 1116 CB VAL A 76 16.736 1.265 1.280 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.834 1.834 2.382 1.00 0.00 C ATOM 1118 CG2 VAL A 76 16.926 -0.234 1.553 1.00 0.00 C ATOM 0 H VAL A 76 15.517 -0.271 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 76 15.775 2.615 -0.077 1.00 0.00 H new ATOM 0 HB VAL A 76 17.723 1.727 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.244 1.575 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.783 2.919 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.833 1.414 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.311 -0.374 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.969 -0.746 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.633 -0.648 0.834 1.00 0.00 H new ATOM 1128 N ILE A 77 17.633 2.821 -1.651 1.00 0.00 N ATOM 1129 CA ILE A 77 18.700 3.060 -2.597 1.00 0.00 C ATOM 1130 C ILE A 77 19.738 3.908 -1.890 1.00 0.00 C ATOM 1131 O ILE A 77 19.399 4.905 -1.251 1.00 0.00 O ATOM 1132 CB ILE A 77 18.142 3.790 -3.833 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.990 3.034 -4.520 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.254 4.111 -4.845 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.376 1.639 -5.013 1.00 0.00 C ATOM 0 H ILE A 77 17.153 3.675 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 77 19.147 2.126 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 77 17.725 4.725 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.158 2.945 -3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.634 3.623 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.826 4.626 -5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.001 4.750 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.725 3.185 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.514 1.169 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.187 1.720 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.703 1.032 -4.169 1.00 0.00 H new ATOM 1147 N SER A 78 20.994 3.532 -2.059 1.00 0.00 N ATOM 1148 CA SER A 78 22.131 4.334 -1.653 1.00 0.00 C ATOM 1149 C SER A 78 22.759 4.976 -2.886 1.00 0.00 C ATOM 1150 O SER A 78 22.734 4.414 -3.981 1.00 0.00 O ATOM 1151 CB SER A 78 23.152 3.493 -0.903 1.00 0.00 C ATOM 1152 OG SER A 78 22.681 3.235 0.396 1.00 0.00 O ATOM 0 H SER A 78 21.255 2.645 -2.490 1.00 0.00 H new ATOM 0 HA SER A 78 21.790 5.116 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 78 23.326 2.556 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 78 24.107 4.016 -0.858 1.00 0.00 H new ATOM 0 HG SER A 78 23.150 2.458 0.766 1.00 0.00 H new ATOM 1158 N LEU A 79 23.289 6.183 -2.706 1.00 0.00 N ATOM 1159 CA LEU A 79 23.903 7.011 -3.734 1.00 0.00 C ATOM 1160 C LEU A 79 24.797 8.037 -3.034 1.00 0.00 C ATOM 1161 O LEU A 79 24.643 9.251 -3.186 1.00 0.00 O ATOM 1162 CB LEU A 79 22.882 7.618 -4.731 1.00 0.00 C ATOM 1163 CG LEU A 79 21.389 7.680 -4.347 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.157 8.826 -3.378 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.507 7.881 -5.583 1.00 0.00 C ATOM 0 H LEU A 79 23.301 6.631 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 79 24.523 6.395 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.205 8.636 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.957 7.053 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 79 21.121 6.733 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.102 8.867 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.755 8.670 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.448 9.765 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.461 7.921 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.778 8.815 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.654 7.051 -6.274 1.00 0.00 H new ATOM 1177 N CYS A 80 25.705 7.540 -2.189 1.00 0.00 N ATOM 1178 CA CYS A 80 26.750 8.340 -1.557 1.00 0.00 C ATOM 1179 C CYS A 80 27.681 8.953 -2.607 1.00 0.00 C ATOM 1180 O CYS A 80 28.053 10.119 -2.493 1.00 0.00 O ATOM 1181 CB CYS A 80 27.515 7.456 -0.565 1.00 0.00 C ATOM 1182 SG CYS A 80 26.386 6.939 0.765 1.00 0.00 S ATOM 0 H CYS A 80 25.732 6.556 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 80 26.301 9.172 -1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.920 6.582 -1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 80 28.361 8.003 -0.149 1.00 0.00 H new ATOM 0 HG CYS A 80 27.026 6.187 1.610 1.00 0.00 H new ATOM 1188 N GLY A 81 28.030 8.169 -3.626 1.00 0.00 N ATOM 1189 CA GLY A 81 28.881 8.548 -4.744 1.00 0.00 C ATOM 1190 C GLY A 81 29.929 7.466 -4.820 1.00 0.00 C ATOM 1191 O GLY A 81 29.868 6.608 -5.698 1.00 0.00 O ATOM 0 H GLY A 81 27.708 7.203 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.311 8.611 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.334 9.526 -4.582 1.00 0.00 H new ATOM 1195 N CYS A 82 30.841 7.464 -3.846 1.00 0.00 N ATOM 1196 CA CYS A 82 31.738 6.346 -3.637 1.00 0.00 C ATOM 1197 C CYS A 82 30.852 5.213 -3.100 1.00 0.00 C ATOM 1198 O CYS A 82 29.741 5.453 -2.612 1.00 0.00 O ATOM 1199 CB CYS A 82 32.835 6.725 -2.629 1.00 0.00 C ATOM 1200 SG CYS A 82 33.799 8.140 -3.242 1.00 0.00 S ATOM 0 H CYS A 82 30.971 8.234 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 82 32.251 6.048 -4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.385 6.973 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 82 33.494 5.873 -2.462 1.00 0.00 H new ATOM 0 HG CYS A 82 34.719 8.446 -2.376 1.00 0.00 H new ATOM 1206 N GLY A 83 31.351 3.982 -3.138 1.00 0.00 N ATOM 1207 CA GLY A 83 30.585 2.785 -2.790 1.00 0.00 C ATOM 1208 C GLY A 83 30.427 2.582 -1.279 1.00 0.00 C ATOM 1209 O GLY A 83 30.521 1.452 -0.796 1.00 0.00 O ATOM 0 H GLY A 83 32.312 3.782 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.597 2.850 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 83 31.077 1.911 -3.217 1.00 0.00 H new ATOM 1213 N VAL A 84 30.241 3.667 -0.524 1.00 0.00 N ATOM 1214 CA VAL A 84 29.898 3.648 0.884 1.00 0.00 C ATOM 1215 C VAL A 84 28.494 3.038 1.022 1.00 0.00 C ATOM 1216 O VAL A 84 27.683 3.076 0.092 1.00 0.00 O ATOM 1217 CB VAL A 84 30.058 5.068 1.456 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.636 5.215 2.926 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.523 5.531 1.333 1.00 0.00 C ATOM 0 H VAL A 84 30.330 4.612 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 84 30.564 3.021 1.477 1.00 0.00 H new ATOM 0 HB VAL A 84 29.386 5.687 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.782 6.247 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.584 4.948 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 84 30.242 4.554 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.622 6.537 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.168 4.849 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 84 31.816 5.535 0.283 1.00 0.00 H new ATOM 1229 N ASN A 85 28.217 2.457 2.187 1.00 0.00 N ATOM 1230 CA ASN A 85 27.002 1.696 2.476 1.00 0.00 C ATOM 1231 C ASN A 85 26.413 2.145 3.819 1.00 0.00 C ATOM 1232 O ASN A 85 26.945 3.057 4.455 1.00 0.00 O ATOM 1233 CB ASN A 85 27.324 0.189 2.422 1.00 0.00 C ATOM 1234 CG ASN A 85 26.087 -0.646 2.113 1.00 0.00 C ATOM 1235 OD1 ASN A 85 25.326 -1.002 3.004 1.00 0.00 O ATOM 1236 ND2 ASN A 85 25.836 -0.947 0.851 1.00 0.00 N ATOM 0 H ASN A 85 28.853 2.504 2.983 1.00 0.00 H new ATOM 0 HA ASN A 85 26.236 1.888 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 85 28.084 0.007 1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.746 -0.126 3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.001 -1.481 0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 85 26.477 -0.645 0.117 1.00 0.00 H new ATOM 1243 N LEU A 86 25.313 1.525 4.248 1.00 0.00 N ATOM 1244 CA LEU A 86 24.488 1.940 5.375 1.00 0.00 C ATOM 1245 C LEU A 86 24.433 0.771 6.363 1.00 0.00 C ATOM 1246 O LEU A 86 23.616 -0.129 6.183 1.00 0.00 O ATOM 1247 CB LEU A 86 23.078 2.338 4.880 1.00 0.00 C ATOM 1248 CG LEU A 86 23.009 3.358 3.726 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.539 3.612 3.382 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.692 4.690 4.053 1.00 0.00 C ATOM 0 H LEU A 86 24.960 0.682 3.796 1.00 0.00 H new ATOM 0 HA LEU A 86 24.910 2.814 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.561 1.432 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.523 2.744 5.726 1.00 0.00 H new ATOM 0 HG LEU A 86 23.548 2.930 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.475 4.332 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.070 2.677 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.024 4.008 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.607 5.362 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.211 5.143 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.745 4.515 4.273 1.00 0.00 H new ATOM 1262 N PRO A 87 25.293 0.736 7.395 1.00 0.00 N ATOM 1263 CA PRO A 87 25.202 -0.250 8.468 1.00 0.00 C ATOM 1264 C PRO A 87 23.804 -0.444 9.102 1.00 0.00 C ATOM 1265 O PRO A 87 23.510 -1.589 9.462 1.00 0.00 O ATOM 1266 CB PRO A 87 26.238 0.176 9.514 1.00 0.00 C ATOM 1267 CG PRO A 87 27.274 0.944 8.696 1.00 0.00 C ATOM 1268 CD PRO A 87 26.440 1.609 7.602 1.00 0.00 C ATOM 0 HA PRO A 87 25.398 -1.234 8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.793 0.802 10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.680 -0.685 10.015 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.800 1.680 9.304 1.00 0.00 H new ATOM 0 HG3 PRO A 87 28.029 0.278 8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 87 26.123 2.607 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 87 27.017 1.722 6.684 1.00 0.00 H new ATOM 1276 N PRO A 88 22.956 0.594 9.306 1.00 0.00 N ATOM 1277 CA PRO A 88 21.659 0.416 9.959 1.00 0.00 C ATOM 1278 C PRO A 88 20.630 -0.367 9.130 1.00 0.00 C ATOM 1279 O PRO A 88 20.884 -0.812 8.015 1.00 0.00 O ATOM 1280 CB PRO A 88 21.131 1.825 10.271 1.00 0.00 C ATOM 1281 CG PRO A 88 22.305 2.770 10.060 1.00 0.00 C ATOM 1282 CD PRO A 88 23.214 2.017 9.093 1.00 0.00 C ATOM 0 HA PRO A 88 21.804 -0.189 10.854 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.299 2.084 9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.761 1.885 11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.980 3.723 9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.815 2.990 10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.003 2.300 8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.261 2.254 9.280 1.00 0.00 H new ATOM 1290 N GLU A 89 19.405 -0.431 9.658 1.00 0.00 N ATOM 1291 CA GLU A 89 18.180 -0.958 9.048 1.00 0.00 C ATOM 1292 C GLU A 89 17.906 -0.494 7.607 1.00 0.00 C ATOM 1293 O GLU A 89 17.152 -1.128 6.867 1.00 0.00 O ATOM 1294 CB GLU A 89 16.994 -0.595 9.955 1.00 0.00 C ATOM 1295 CG GLU A 89 16.932 0.894 10.351 1.00 0.00 C ATOM 1296 CD GLU A 89 15.678 1.234 11.176 1.00 0.00 C ATOM 1297 OE1 GLU A 89 15.515 0.697 12.297 1.00 0.00 O ATOM 1298 OE2 GLU A 89 14.870 2.072 10.719 1.00 0.00 O ATOM 0 H GLU A 89 19.229 -0.087 10.602 1.00 0.00 H new ATOM 0 HA GLU A 89 18.318 -2.036 8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.068 -0.863 9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.047 -1.198 10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.822 1.151 10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.947 1.507 9.450 1.00 0.00 H new ATOM 1305 N TRP A 90 18.544 0.593 7.185 1.00 0.00 N ATOM 1306 CA TRP A 90 18.582 1.095 5.818 1.00 0.00 C ATOM 1307 C TRP A 90 19.262 0.134 4.822 1.00 0.00 C ATOM 1308 O TRP A 90 19.426 0.495 3.658 1.00 0.00 O ATOM 1309 CB TRP A 90 19.251 2.474 5.801 1.00 0.00 C ATOM 1310 CG TRP A 90 18.581 3.528 6.626 1.00 0.00 C ATOM 1311 CD1 TRP A 90 19.014 4.021 7.806 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.355 4.255 6.326 1.00 0.00 C ATOM 1313 NE1 TRP A 90 18.108 4.939 8.293 1.00 0.00 N ATOM 1314 CE2 TRP A 90 17.055 5.126 7.416 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.460 4.245 5.238 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.905 5.933 7.424 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.303 5.041 5.239 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.026 5.882 6.328 1.00 0.00 C ATOM 0 H TRP A 90 19.079 1.180 7.825 1.00 0.00 H new ATOM 0 HA TRP A 90 17.550 1.178 5.477 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.278 2.364 6.149 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.299 2.822 4.769 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.934 3.738 8.296 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.202 5.420 9.188 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.668 3.613 4.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.699 6.584 8.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.624 5.006 4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.135 6.492 6.324 1.00 0.00 H new ATOM 1329 N VAL A 91 19.638 -1.079 5.240 1.00 0.00 N ATOM 1330 CA VAL A 91 20.120 -2.140 4.361 1.00 0.00 C ATOM 1331 C VAL A 91 19.337 -3.455 4.544 1.00 0.00 C ATOM 1332 O VAL A 91 19.675 -4.452 3.906 1.00 0.00 O ATOM 1333 CB VAL A 91 21.659 -2.254 4.490 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.125 -3.031 5.735 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.325 -2.851 3.241 1.00 0.00 C ATOM 0 H VAL A 91 19.614 -1.353 6.222 1.00 0.00 H new ATOM 0 HA VAL A 91 19.919 -1.882 3.321 1.00 0.00 H new ATOM 0 HB VAL A 91 21.984 -1.220 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.214 -3.068 5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.763 -2.531 6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.729 -4.046 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.403 -2.905 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.933 -3.853 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.112 -2.220 2.378 1.00 0.00 H new ATOM 1345 N THR A 92 18.274 -3.486 5.362 1.00 0.00 N ATOM 1346 CA THR A 92 17.586 -4.726 5.732 1.00 0.00 C ATOM 1347 C THR A 92 16.106 -4.725 5.322 1.00 0.00 C ATOM 1348 O THR A 92 15.295 -5.476 5.870 1.00 0.00 O ATOM 1349 CB THR A 92 17.829 -5.031 7.225 1.00 0.00 C ATOM 1350 OG1 THR A 92 17.306 -4.005 8.043 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.321 -5.151 7.565 1.00 0.00 C ATOM 0 H THR A 92 17.869 -2.650 5.784 1.00 0.00 H new ATOM 0 HA THR A 92 18.014 -5.551 5.162 1.00 0.00 H new ATOM 0 HB THR A 92 17.330 -5.982 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.228 -3.179 7.522 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.436 -5.366 8.627 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.763 -5.958 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 92 19.825 -4.214 7.328 1.00 0.00 H new ATOM 1359 N GLN A 93 15.752 -3.878 4.353 1.00 0.00 N ATOM 1360 CA GLN A 93 14.417 -3.840 3.759 1.00 0.00 C ATOM 1361 C GLN A 93 14.369 -4.777 2.542 1.00 0.00 C ATOM 1362 O GLN A 93 15.336 -5.489 2.254 1.00 0.00 O ATOM 1363 CB GLN A 93 14.009 -2.395 3.417 1.00 0.00 C ATOM 1364 CG GLN A 93 14.220 -1.396 4.570 1.00 0.00 C ATOM 1365 CD GLN A 93 13.612 -1.875 5.895 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.457 -2.289 5.974 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.394 -1.888 6.963 1.00 0.00 N ATOM 0 H GLN A 93 16.393 -3.192 3.955 1.00 0.00 H new ATOM 0 HA GLN A 93 13.684 -4.199 4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.582 -2.062 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.958 -2.384 3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.288 -1.227 4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.778 -0.437 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.352 -1.545 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.038 -2.241 7.851 1.00 0.00 H new ATOM 1376 N GLU A 94 13.233 -4.809 1.842 1.00 0.00 N ATOM 1377 CA GLU A 94 12.966 -5.790 0.794 1.00 0.00 C ATOM 1378 C GLU A 94 13.889 -5.643 -0.413 1.00 0.00 C ATOM 1379 O GLU A 94 14.226 -6.650 -1.041 1.00 0.00 O ATOM 1380 CB GLU A 94 11.497 -5.720 0.351 1.00 0.00 C ATOM 1381 CG GLU A 94 10.507 -6.178 1.432 1.00 0.00 C ATOM 1382 CD GLU A 94 10.726 -7.638 1.868 1.00 0.00 C ATOM 1383 OE1 GLU A 94 10.364 -8.568 1.111 1.00 0.00 O ATOM 1384 OE2 GLU A 94 11.243 -7.876 2.983 1.00 0.00 O ATOM 0 H GLU A 94 12.469 -4.150 1.989 1.00 0.00 H new ATOM 0 HA GLU A 94 13.169 -6.769 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.261 -4.695 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.364 -6.338 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.600 -5.527 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.490 -6.065 1.057 1.00 0.00 H new ATOM 1391 N ILE A 95 14.325 -4.422 -0.726 1.00 0.00 N ATOM 1392 CA ILE A 95 15.213 -4.144 -1.850 1.00 0.00 C ATOM 1393 C ILE A 95 16.291 -3.204 -1.325 1.00 0.00 C ATOM 1394 O ILE A 95 15.965 -2.238 -0.631 1.00 0.00 O ATOM 1395 CB ILE A 95 14.405 -3.534 -3.006 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.380 -4.580 -3.507 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.320 -3.014 -4.139 1.00 0.00 C ATOM 1398 CD1 ILE A 95 12.733 -4.236 -4.842 1.00 0.00 C ATOM 0 H ILE A 95 14.066 -3.589 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 95 15.680 -5.045 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 95 13.864 -2.659 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 95 13.878 -5.545 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.598 -4.693 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.708 -2.591 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.985 -2.245 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.913 -3.838 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.029 -5.021 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.203 -3.287 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.503 -4.153 -5.609 1.00 0.00 H new ATOM 1410 N PHE A 96 17.546 -3.453 -1.705 1.00 0.00 N ATOM 1411 CA PHE A 96 18.664 -2.566 -1.486 1.00 0.00 C ATOM 1412 C PHE A 96 19.487 -2.543 -2.770 1.00 0.00 C ATOM 1413 O PHE A 96 19.760 -3.600 -3.346 1.00 0.00 O ATOM 1414 CB PHE A 96 19.539 -3.009 -0.302 1.00 0.00 C ATOM 1415 CG PHE A 96 20.790 -2.151 -0.228 1.00 0.00 C ATOM 1416 CD1 PHE A 96 20.707 -0.855 0.313 1.00 0.00 C ATOM 1417 CD2 PHE A 96 21.965 -2.554 -0.897 1.00 0.00 C ATOM 1418 CE1 PHE A 96 21.782 0.033 0.171 1.00 0.00 C ATOM 1419 CE2 PHE A 96 23.032 -1.651 -1.060 1.00 0.00 C ATOM 1420 CZ PHE A 96 22.942 -0.360 -0.514 1.00 0.00 C ATOM 0 H PHE A 96 17.809 -4.311 -2.190 1.00 0.00 H new ATOM 0 HA PHE A 96 18.290 -1.573 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.976 -2.926 0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 96 19.814 -4.058 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.815 -0.545 0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 96 22.046 -3.559 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.717 1.026 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.917 -1.950 -1.603 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.766 0.330 -0.621 1.00 0.00 H new ATOM 1430 N GLU A 97 19.914 -1.354 -3.183 1.00 0.00 N ATOM 1431 CA GLU A 97 20.885 -1.132 -4.240 1.00 0.00 C ATOM 1432 C GLU A 97 21.750 0.059 -3.838 1.00 0.00 C ATOM 1433 O GLU A 97 21.304 0.949 -3.116 1.00 0.00 O ATOM 1434 CB GLU A 97 20.193 -0.778 -5.562 1.00 0.00 C ATOM 1435 CG GLU A 97 19.656 -1.982 -6.329 1.00 0.00 C ATOM 1436 CD GLU A 97 18.778 -1.543 -7.511 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.135 -0.583 -8.230 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.725 -2.181 -7.735 1.00 0.00 O ATOM 0 H GLU A 97 19.576 -0.484 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 97 21.471 -2.041 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.368 -0.095 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.899 -0.243 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.488 -2.584 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.076 -2.615 -5.657 1.00 0.00 H new ATOM 1445 N ASP A 98 22.959 0.104 -4.386 1.00 0.00 N ATOM 1446 CA ASP A 98 23.865 1.243 -4.326 1.00 0.00 C ATOM 1447 C ASP A 98 24.177 1.702 -5.749 1.00 0.00 C ATOM 1448 O ASP A 98 24.472 0.876 -6.617 1.00 0.00 O ATOM 1449 CB ASP A 98 25.164 0.916 -3.586 1.00 0.00 C ATOM 1450 CG ASP A 98 26.127 2.110 -3.669 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.777 3.199 -3.164 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.222 1.952 -4.253 1.00 0.00 O ATOM 0 H ASP A 98 23.349 -0.683 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 98 23.372 2.038 -3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 98 24.950 0.682 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.629 0.032 -4.022 1.00 0.00 H new ATOM 1457 N TRP A 99 24.087 3.007 -5.996 1.00 0.00 N ATOM 1458 CA TRP A 99 24.192 3.635 -7.303 1.00 0.00 C ATOM 1459 C TRP A 99 25.429 4.539 -7.281 1.00 0.00 C ATOM 1460 O TRP A 99 25.390 5.667 -6.782 1.00 0.00 O ATOM 1461 CB TRP A 99 22.901 4.410 -7.629 1.00 0.00 C ATOM 1462 CG TRP A 99 21.594 3.669 -7.771 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.331 2.351 -7.584 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.309 4.258 -8.134 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.000 2.091 -7.840 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.301 3.246 -8.113 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.906 5.568 -8.466 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.948 3.530 -8.376 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.560 5.868 -8.730 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.591 4.854 -8.683 1.00 0.00 C ATOM 0 H TRP A 99 23.931 3.685 -5.250 1.00 0.00 H new ATOM 0 HA TRP A 99 24.308 2.892 -8.092 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.766 5.159 -6.849 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.072 4.948 -8.561 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.058 1.613 -7.279 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.585 1.159 -7.828 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.645 6.354 -8.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.202 2.749 -8.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.270 6.880 -8.970 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.558 5.094 -8.885 1.00 0.00 H new ATOM 1481 N GLN A 100 26.547 4.011 -7.782 1.00 0.00 N ATOM 1482 CA GLN A 100 27.843 4.679 -7.852 1.00 0.00 C ATOM 1483 C GLN A 100 27.811 5.759 -8.943 1.00 0.00 C ATOM 1484 O GLN A 100 28.189 5.513 -10.090 1.00 0.00 O ATOM 1485 CB GLN A 100 28.922 3.599 -8.063 1.00 0.00 C ATOM 1486 CG GLN A 100 30.359 4.142 -8.094 1.00 0.00 C ATOM 1487 CD GLN A 100 31.379 3.038 -7.818 1.00 0.00 C ATOM 1488 OE1 GLN A 100 32.089 2.578 -8.709 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.469 2.585 -6.575 1.00 0.00 N ATOM 0 H GLN A 100 26.573 3.066 -8.166 1.00 0.00 H new ATOM 0 HA GLN A 100 28.084 5.205 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.842 2.860 -7.265 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.722 3.079 -9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.559 4.589 -9.068 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.467 4.933 -7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.873 2.976 -5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.134 1.845 -6.349 1.00 0.00 H new ATOM 1498 N LEU A 101 27.304 6.943 -8.592 1.00 0.00 N ATOM 1499 CA LEU A 101 27.088 8.069 -9.498 1.00 0.00 C ATOM 1500 C LEU A 101 28.084 9.176 -9.192 1.00 0.00 C ATOM 1501 O LEU A 101 28.555 9.322 -8.063 1.00 0.00 O ATOM 1502 CB LEU A 101 25.648 8.594 -9.337 1.00 0.00 C ATOM 1503 CG LEU A 101 24.564 7.897 -10.191 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.882 6.485 -10.695 1.00 0.00 C ATOM 1505 CD2 LEU A 101 23.257 7.862 -9.395 1.00 0.00 C ATOM 0 H LEU A 101 27.023 7.150 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 101 27.234 7.738 -10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.367 8.504 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.643 9.657 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 101 24.497 8.498 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.042 6.110 -11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 101 25.775 6.514 -11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.055 5.826 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 101 22.484 7.372 -9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 101 23.410 7.308 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 101 22.946 8.880 -9.162 1.00 0.00 H new ATOM 1517 N GLU A 102 28.368 9.978 -10.215 1.00 0.00 N ATOM 1518 CA GLU A 102 29.328 11.074 -10.182 1.00 0.00 C ATOM 1519 C GLU A 102 28.756 12.308 -9.492 1.00 0.00 C ATOM 1520 O GLU A 102 28.536 13.336 -10.128 1.00 0.00 O ATOM 1521 CB GLU A 102 29.909 11.353 -11.582 1.00 0.00 C ATOM 1522 CG GLU A 102 30.783 10.191 -12.071 1.00 0.00 C ATOM 1523 CD GLU A 102 31.449 10.509 -13.421 1.00 0.00 C ATOM 1524 OE1 GLU A 102 32.577 11.054 -13.435 1.00 0.00 O ATOM 1525 OE2 GLU A 102 30.869 10.190 -14.484 1.00 0.00 O ATOM 0 H GLU A 102 27.917 9.877 -11.124 1.00 0.00 H new ATOM 0 HA GLU A 102 30.173 10.768 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.095 11.519 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.500 12.268 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.551 9.976 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.173 9.293 -12.169 1.00 0.00 H new ATOM 1532 N ASP A 103 28.504 12.151 -8.188 1.00 0.00 N ATOM 1533 CA ASP A 103 27.988 13.124 -7.226 1.00 0.00 C ATOM 1534 C ASP A 103 28.009 14.579 -7.724 1.00 0.00 C ATOM 1535 O ASP A 103 29.044 15.243 -7.606 1.00 0.00 O ATOM 1536 CB ASP A 103 28.670 12.946 -5.868 1.00 0.00 C ATOM 1537 CG ASP A 103 28.307 14.082 -4.910 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.140 14.533 -4.936 1.00 0.00 O ATOM 1539 OD2 ASP A 103 29.176 14.485 -4.111 1.00 0.00 O ATOM 0 H ASP A 103 28.674 11.251 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 103 26.926 12.909 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.374 11.992 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.751 12.913 -6.003 1.00 0.00 H new ATOM 1544 N PRO A 104 26.902 15.048 -8.337 1.00 0.00 N ATOM 1545 CA PRO A 104 26.842 16.319 -9.046 1.00 0.00 C ATOM 1546 C PRO A 104 27.107 17.584 -8.220 1.00 0.00 C ATOM 1547 O PRO A 104 27.193 18.658 -8.811 1.00 0.00 O ATOM 1548 CB PRO A 104 25.477 16.377 -9.723 1.00 0.00 C ATOM 1549 CG PRO A 104 25.096 14.915 -9.890 1.00 0.00 C ATOM 1550 CD PRO A 104 25.740 14.240 -8.684 1.00 0.00 C ATOM 0 HA PRO A 104 27.671 16.331 -9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.750 16.913 -9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.528 16.890 -10.683 1.00 0.00 H new ATOM 0 HG2 PRO A 104 24.014 14.780 -9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.473 14.506 -10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 104 25.041 14.185 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.034 13.218 -8.921 1.00 0.00 H new ATOM 1558 N ASP A 105 27.240 17.505 -6.896 1.00 0.00 N ATOM 1559 CA ASP A 105 27.448 18.645 -6.004 1.00 0.00 C ATOM 1560 C ASP A 105 28.749 19.398 -6.351 1.00 0.00 C ATOM 1561 O ASP A 105 29.835 19.070 -5.864 1.00 0.00 O ATOM 1562 CB ASP A 105 27.400 18.160 -4.547 1.00 0.00 C ATOM 1563 CG ASP A 105 27.301 19.306 -3.524 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.223 20.148 -3.428 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.297 19.333 -2.775 1.00 0.00 O ATOM 0 H ASP A 105 27.205 16.615 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 105 26.647 19.371 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.545 17.496 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.294 17.572 -4.338 1.00 0.00 H new ATOM 1570 N GLY A 106 28.641 20.370 -7.262 1.00 0.00 N ATOM 1571 CA GLY A 106 29.694 21.288 -7.684 1.00 0.00 C ATOM 1572 C GLY A 106 30.294 20.956 -9.057 1.00 0.00 C ATOM 1573 O GLY A 106 31.378 21.458 -9.365 1.00 0.00 O ATOM 0 H GLY A 106 27.763 20.544 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.291 22.301 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.490 21.280 -6.939 1.00 0.00 H new ATOM 1577 N GLN A 107 29.653 20.104 -9.869 1.00 0.00 N ATOM 1578 CA GLN A 107 30.261 19.563 -11.089 1.00 0.00 C ATOM 1579 C GLN A 107 29.927 20.372 -12.351 1.00 0.00 C ATOM 1580 O GLN A 107 29.202 21.369 -12.311 1.00 0.00 O ATOM 1581 CB GLN A 107 29.839 18.099 -11.285 1.00 0.00 C ATOM 1582 CG GLN A 107 30.013 17.207 -10.056 1.00 0.00 C ATOM 1583 CD GLN A 107 31.446 16.903 -9.622 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.431 17.403 -10.160 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.572 16.036 -8.633 1.00 0.00 N ATOM 0 H GLN A 107 28.703 19.773 -9.699 1.00 0.00 H new ATOM 0 HA GLN A 107 31.340 19.631 -10.949 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.792 18.076 -11.587 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.417 17.677 -12.107 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.497 17.678 -9.219 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.509 16.260 -10.249 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.741 15.632 -8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.500 15.770 -8.303 1.00 0.00 H new ATOM 1594 N SER A 108 30.469 19.910 -13.480 1.00 0.00 N ATOM 1595 CA SER A 108 30.231 20.437 -14.816 1.00 0.00 C ATOM 1596 C SER A 108 28.876 19.953 -15.340 1.00 0.00 C ATOM 1597 O SER A 108 28.402 18.887 -14.940 1.00 0.00 O ATOM 1598 CB SER A 108 31.348 19.913 -15.727 1.00 0.00 C ATOM 1599 OG SER A 108 32.624 20.296 -15.232 1.00 0.00 O ATOM 0 H SER A 108 31.115 19.121 -13.482 1.00 0.00 H new ATOM 0 HA SER A 108 30.224 21.527 -14.796 1.00 0.00 H new ATOM 0 HB2 SER A 108 31.290 18.827 -15.793 1.00 0.00 H new ATOM 0 HB3 SER A 108 31.213 20.302 -16.736 1.00 0.00 H new ATOM 0 HG SER A 108 33.323 19.951 -15.826 1.00 0.00 H new ATOM 1605 N LEU A 109 28.282 20.683 -16.291 1.00 0.00 N ATOM 1606 CA LEU A 109 26.971 20.344 -16.853 1.00 0.00 C ATOM 1607 C LEU A 109 26.971 18.951 -17.465 1.00 0.00 C ATOM 1608 O LEU A 109 25.963 18.256 -17.389 1.00 0.00 O ATOM 1609 CB LEU A 109 26.542 21.353 -17.931 1.00 0.00 C ATOM 1610 CG LEU A 109 26.254 22.770 -17.402 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.934 23.701 -18.577 1.00 0.00 C ATOM 1612 CD2 LEU A 109 25.090 22.803 -16.402 1.00 0.00 C ATOM 0 H LEU A 109 28.697 21.524 -16.692 1.00 0.00 H new ATOM 0 HA LEU A 109 26.263 20.376 -16.025 1.00 0.00 H new ATOM 0 HB2 LEU A 109 27.326 21.413 -18.686 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.648 20.976 -18.428 1.00 0.00 H new ATOM 0 HG LEU A 109 27.148 23.104 -16.876 1.00 0.00 H new ATOM 0 HD11 LEU A 109 25.730 24.704 -18.202 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.785 23.734 -19.257 1.00 0.00 H new ATOM 0 HD13 LEU A 109 25.059 23.328 -19.109 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.931 23.826 -16.062 1.00 0.00 H new ATOM 0 HD22 LEU A 109 24.184 22.437 -16.886 1.00 0.00 H new ATOM 0 HD23 LEU A 109 25.327 22.169 -15.547 1.00 0.00 H new ATOM 1624 N GLU A 110 28.087 18.526 -18.057 1.00 0.00 N ATOM 1625 CA GLU A 110 28.171 17.208 -18.673 1.00 0.00 C ATOM 1626 C GLU A 110 28.080 16.103 -17.607 1.00 0.00 C ATOM 1627 O GLU A 110 27.429 15.081 -17.830 1.00 0.00 O ATOM 1628 CB GLU A 110 29.464 17.117 -19.498 1.00 0.00 C ATOM 1629 CG GLU A 110 29.453 15.964 -20.513 1.00 0.00 C ATOM 1630 CD GLU A 110 28.606 16.278 -21.761 1.00 0.00 C ATOM 1631 OE1 GLU A 110 27.358 16.295 -21.671 1.00 0.00 O ATOM 1632 OE2 GLU A 110 29.184 16.496 -22.851 1.00 0.00 O ATOM 0 H GLU A 110 28.943 19.077 -18.121 1.00 0.00 H new ATOM 0 HA GLU A 110 27.327 17.060 -19.347 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.617 18.057 -20.028 1.00 0.00 H new ATOM 0 HB3 GLU A 110 30.310 16.990 -18.823 1.00 0.00 H new ATOM 0 HG2 GLU A 110 30.476 15.745 -20.819 1.00 0.00 H new ATOM 0 HG3 GLU A 110 29.065 15.066 -20.032 1.00 0.00 H new ATOM 1639 N VAL A 111 28.668 16.318 -16.424 1.00 0.00 N ATOM 1640 CA VAL A 111 28.560 15.384 -15.304 1.00 0.00 C ATOM 1641 C VAL A 111 27.106 15.348 -14.839 1.00 0.00 C ATOM 1642 O VAL A 111 26.539 14.267 -14.675 1.00 0.00 O ATOM 1643 CB VAL A 111 29.509 15.787 -14.160 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.357 14.869 -12.939 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.976 15.766 -14.622 1.00 0.00 C ATOM 0 H VAL A 111 29.231 17.144 -16.219 1.00 0.00 H new ATOM 0 HA VAL A 111 28.858 14.386 -15.624 1.00 0.00 H new ATOM 0 HB VAL A 111 29.232 16.801 -13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 111 30.044 15.188 -12.156 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.334 14.924 -12.568 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.585 13.842 -13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.623 16.055 -13.793 1.00 0.00 H new ATOM 0 HG22 VAL A 111 31.239 14.762 -14.954 1.00 0.00 H new ATOM 0 HG23 VAL A 111 31.108 16.467 -15.446 1.00 0.00 H new ATOM 1655 N PHE A 112 26.484 16.521 -14.687 1.00 0.00 N ATOM 1656 CA PHE A 112 25.083 16.631 -14.315 1.00 0.00 C ATOM 1657 C PHE A 112 24.193 15.873 -15.297 1.00 0.00 C ATOM 1658 O PHE A 112 23.363 15.081 -14.866 1.00 0.00 O ATOM 1659 CB PHE A 112 24.676 18.104 -14.261 1.00 0.00 C ATOM 1660 CG PHE A 112 24.818 18.744 -12.906 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.797 18.596 -11.946 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.964 19.499 -12.609 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.933 19.193 -10.684 1.00 0.00 C ATOM 1664 CE2 PHE A 112 26.107 20.081 -11.344 1.00 0.00 C ATOM 1665 CZ PHE A 112 25.103 19.907 -10.383 1.00 0.00 C ATOM 0 H PHE A 112 26.946 17.421 -14.821 1.00 0.00 H new ATOM 0 HA PHE A 112 24.952 16.185 -13.329 1.00 0.00 H new ATOM 0 HB2 PHE A 112 25.281 18.661 -14.977 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.639 18.193 -14.583 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.912 18.024 -12.181 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.734 19.630 -13.355 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.145 19.104 -9.951 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.987 20.661 -11.110 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.231 20.328 -9.397 1.00 0.00 H new ATOM 1675 N ARG A 113 24.367 16.077 -16.605 1.00 0.00 N ATOM 1676 CA ARG A 113 23.616 15.378 -17.646 1.00 0.00 C ATOM 1677 C ARG A 113 23.816 13.873 -17.547 1.00 0.00 C ATOM 1678 O ARG A 113 22.830 13.138 -17.617 1.00 0.00 O ATOM 1679 CB ARG A 113 24.056 15.891 -19.030 1.00 0.00 C ATOM 1680 CG ARG A 113 23.293 17.158 -19.450 1.00 0.00 C ATOM 1681 CD ARG A 113 24.124 18.148 -20.274 1.00 0.00 C ATOM 1682 NE ARG A 113 24.842 17.496 -21.381 1.00 0.00 N ATOM 1683 CZ ARG A 113 24.395 17.240 -22.611 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.174 17.600 -22.999 1.00 0.00 N ATOM 1685 NH2 ARG A 113 25.218 16.605 -23.432 1.00 0.00 N ATOM 0 H ARG A 113 25.045 16.744 -16.975 1.00 0.00 H new ATOM 0 HA ARG A 113 22.554 15.581 -17.508 1.00 0.00 H new ATOM 0 HB2 ARG A 113 25.125 16.102 -19.014 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.896 15.110 -19.773 1.00 0.00 H new ATOM 0 HG2 ARG A 113 22.417 16.866 -20.029 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.929 17.663 -18.555 1.00 0.00 H new ATOM 0 HD2 ARG A 113 23.469 18.921 -20.675 1.00 0.00 H new ATOM 0 HD3 ARG A 113 24.842 18.645 -19.622 1.00 0.00 H new ATOM 0 HE ARG A 113 25.799 17.204 -21.183 1.00 0.00 H new ATOM 0 HH11 ARG A 113 22.555 18.084 -22.349 1.00 0.00 H new ATOM 0 HH12 ARG A 113 22.858 17.392 -23.946 1.00 0.00 H new ATOM 0 HH21 ARG A 113 26.148 16.334 -23.113 1.00 0.00 H new ATOM 0 HH22 ARG A 113 24.921 16.387 -24.383 1.00 0.00 H new ATOM 1699 N THR A 114 25.056 13.417 -17.360 1.00 0.00 N ATOM 1700 CA THR A 114 25.367 12.009 -17.272 1.00 0.00 C ATOM 1701 C THR A 114 24.620 11.409 -16.079 1.00 0.00 C ATOM 1702 O THR A 114 23.862 10.453 -16.247 1.00 0.00 O ATOM 1703 CB THR A 114 26.896 11.875 -17.172 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.519 12.442 -18.311 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.318 10.416 -17.080 1.00 0.00 C ATOM 0 H THR A 114 25.869 14.026 -17.266 1.00 0.00 H new ATOM 0 HA THR A 114 25.041 11.453 -18.151 1.00 0.00 H new ATOM 0 HB THR A 114 27.205 12.402 -16.269 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.805 13.357 -18.106 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.404 10.355 -17.011 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.872 9.963 -16.195 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.981 9.883 -17.969 1.00 0.00 H new ATOM 1713 N VAL A 115 24.767 11.996 -14.889 1.00 0.00 N ATOM 1714 CA VAL A 115 24.117 11.488 -13.693 1.00 0.00 C ATOM 1715 C VAL A 115 22.601 11.594 -13.823 1.00 0.00 C ATOM 1716 O VAL A 115 21.916 10.648 -13.458 1.00 0.00 O ATOM 1717 CB VAL A 115 24.678 12.172 -12.441 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.910 11.800 -11.162 1.00 0.00 C ATOM 1719 CG2 VAL A 115 26.152 11.789 -12.250 1.00 0.00 C ATOM 0 H VAL A 115 25.336 12.829 -14.734 1.00 0.00 H new ATOM 0 HA VAL A 115 24.339 10.427 -13.581 1.00 0.00 H new ATOM 0 HB VAL A 115 24.569 13.245 -12.601 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.353 12.314 -10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.867 12.099 -11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.965 10.723 -11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.543 12.279 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.235 10.708 -12.136 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.726 12.107 -13.120 1.00 0.00 H new ATOM 1729 N ARG A 116 22.048 12.676 -14.377 1.00 0.00 N ATOM 1730 CA ARG A 116 20.603 12.832 -14.512 1.00 0.00 C ATOM 1731 C ARG A 116 20.023 11.706 -15.358 1.00 0.00 C ATOM 1732 O ARG A 116 19.010 11.122 -14.976 1.00 0.00 O ATOM 1733 CB ARG A 116 20.302 14.235 -15.066 1.00 0.00 C ATOM 1734 CG ARG A 116 18.799 14.566 -15.098 1.00 0.00 C ATOM 1735 CD ARG A 116 17.977 14.303 -16.376 1.00 0.00 C ATOM 1736 NE ARG A 116 18.789 14.184 -17.604 1.00 0.00 N ATOM 1737 CZ ARG A 116 19.298 15.203 -18.306 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.983 16.452 -17.999 1.00 0.00 N ATOM 1739 NH2 ARG A 116 20.138 14.983 -19.309 1.00 0.00 N ATOM 0 H ARG A 116 22.587 13.462 -14.741 1.00 0.00 H new ATOM 0 HA ARG A 116 20.115 12.754 -13.540 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.818 14.977 -14.457 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.706 14.314 -16.075 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.327 14.008 -14.289 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.695 15.624 -14.858 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.403 13.386 -16.243 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.259 15.113 -16.506 1.00 0.00 H new ATOM 0 HE ARG A 116 18.978 13.242 -17.947 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.349 16.642 -17.223 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.375 17.224 -18.538 1.00 0.00 H new ATOM 0 HH21 ARG A 116 20.403 14.029 -19.553 1.00 0.00 H new ATOM 0 HH22 ARG A 116 20.519 15.768 -19.837 1.00 0.00 H new ATOM 1753 N GLY A 117 20.687 11.364 -16.464 1.00 0.00 N ATOM 1754 CA GLY A 117 20.288 10.230 -17.281 1.00 0.00 C ATOM 1755 C GLY A 117 20.409 8.925 -16.503 1.00 0.00 C ATOM 1756 O GLY A 117 19.434 8.177 -16.440 1.00 0.00 O ATOM 0 H GLY A 117 21.507 11.863 -16.811 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.259 10.363 -17.616 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.911 10.184 -18.174 1.00 0.00 H new ATOM 1760 N GLN A 118 21.558 8.673 -15.861 1.00 0.00 N ATOM 1761 CA GLN A 118 21.810 7.444 -15.110 1.00 0.00 C ATOM 1762 C GLN A 118 20.747 7.233 -14.033 1.00 0.00 C ATOM 1763 O GLN A 118 20.165 6.152 -13.939 1.00 0.00 O ATOM 1764 CB GLN A 118 23.204 7.492 -14.454 1.00 0.00 C ATOM 1765 CG GLN A 118 24.362 7.296 -15.443 1.00 0.00 C ATOM 1766 CD GLN A 118 25.739 7.508 -14.800 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.899 8.229 -13.818 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.773 6.883 -15.340 1.00 0.00 N ATOM 0 H GLN A 118 22.343 9.324 -15.851 1.00 0.00 H new ATOM 0 HA GLN A 118 21.769 6.610 -15.811 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.326 8.452 -13.952 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.260 6.721 -13.686 1.00 0.00 H new ATOM 0 HG2 GLN A 118 24.312 6.290 -15.859 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.244 7.991 -16.275 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.638 6.285 -16.155 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.704 6.999 -14.941 1.00 0.00 H new ATOM 1777 N VAL A 119 20.507 8.268 -13.234 1.00 0.00 N ATOM 1778 CA VAL A 119 19.516 8.324 -12.171 1.00 0.00 C ATOM 1779 C VAL A 119 18.146 7.995 -12.742 1.00 0.00 C ATOM 1780 O VAL A 119 17.510 7.081 -12.230 1.00 0.00 O ATOM 1781 CB VAL A 119 19.539 9.713 -11.484 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.340 9.929 -10.557 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.793 9.877 -10.614 1.00 0.00 C ATOM 0 H VAL A 119 21.031 9.139 -13.318 1.00 0.00 H new ATOM 0 HA VAL A 119 19.752 7.584 -11.406 1.00 0.00 H new ATOM 0 HB VAL A 119 19.518 10.437 -12.298 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.405 10.917 -10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.417 9.855 -11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.342 9.169 -9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.784 10.860 -10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.804 9.106 -9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.683 9.781 -11.236 1.00 0.00 H new ATOM 1793 N LYS A 120 17.682 8.700 -13.780 1.00 0.00 N ATOM 1794 CA LYS A 120 16.315 8.516 -14.264 1.00 0.00 C ATOM 1795 C LYS A 120 16.107 7.075 -14.705 1.00 0.00 C ATOM 1796 O LYS A 120 15.123 6.448 -14.322 1.00 0.00 O ATOM 1797 CB LYS A 120 16.028 9.523 -15.390 1.00 0.00 C ATOM 1798 CG LYS A 120 14.664 9.286 -16.056 1.00 0.00 C ATOM 1799 CD LYS A 120 14.371 10.372 -17.101 1.00 0.00 C ATOM 1800 CE LYS A 120 13.031 10.152 -17.821 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.045 8.983 -18.736 1.00 0.00 N ATOM 0 H LYS A 120 18.226 9.393 -14.293 1.00 0.00 H new ATOM 0 HA LYS A 120 15.604 8.709 -13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.061 10.535 -14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.813 9.455 -16.143 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.652 8.305 -16.531 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.880 9.283 -15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.362 11.347 -16.614 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.176 10.390 -17.836 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.245 10.015 -17.078 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.780 11.047 -18.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.173 8.975 -19.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.868 9.047 -19.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.103 8.107 -18.179 1.00 0.00 H new ATOM 1815 N GLU A 121 17.062 6.538 -15.456 1.00 0.00 N ATOM 1816 CA GLU A 121 17.063 5.155 -15.892 1.00 0.00 C ATOM 1817 C GLU A 121 16.972 4.220 -14.686 1.00 0.00 C ATOM 1818 O GLU A 121 16.191 3.273 -14.700 1.00 0.00 O ATOM 1819 CB GLU A 121 18.336 4.940 -16.740 1.00 0.00 C ATOM 1820 CG GLU A 121 19.162 3.682 -16.459 1.00 0.00 C ATOM 1821 CD GLU A 121 20.273 3.478 -17.506 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.995 2.923 -18.594 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.439 3.845 -17.233 1.00 0.00 O ATOM 0 H GLU A 121 17.871 7.066 -15.783 1.00 0.00 H new ATOM 0 HA GLU A 121 16.193 4.924 -16.507 1.00 0.00 H new ATOM 0 HB2 GLU A 121 18.043 4.924 -17.790 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.983 5.806 -16.603 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.607 3.754 -15.467 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.506 2.811 -16.451 1.00 0.00 H new ATOM 1830 N ARG A 122 17.750 4.480 -13.636 1.00 0.00 N ATOM 1831 CA ARG A 122 17.798 3.609 -12.468 1.00 0.00 C ATOM 1832 C ARG A 122 16.497 3.696 -11.675 1.00 0.00 C ATOM 1833 O ARG A 122 15.985 2.648 -11.297 1.00 0.00 O ATOM 1834 CB ARG A 122 19.042 3.916 -11.627 1.00 0.00 C ATOM 1835 CG ARG A 122 20.314 3.344 -12.260 1.00 0.00 C ATOM 1836 CD ARG A 122 21.576 4.107 -11.822 1.00 0.00 C ATOM 1837 NE ARG A 122 22.791 3.591 -12.488 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.049 3.616 -13.805 1.00 0.00 C ATOM 1839 NH1 ARG A 122 22.214 4.226 -14.639 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.138 3.028 -14.286 1.00 0.00 N ATOM 0 H ARG A 122 18.360 5.295 -13.573 1.00 0.00 H new ATOM 0 HA ARG A 122 17.887 2.572 -12.792 1.00 0.00 H new ATOM 0 HB2 ARG A 122 19.146 4.995 -11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.916 3.501 -10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.413 2.294 -11.986 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.227 3.383 -13.346 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.458 5.166 -12.052 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.692 4.026 -10.741 1.00 0.00 H new ATOM 0 HE ARG A 122 23.503 3.175 -11.888 1.00 0.00 H new ATOM 0 HH11 ARG A 122 21.373 4.678 -14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.414 4.243 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.783 2.554 -13.654 1.00 0.00 H new ATOM 0 HH22 ARG A 122 24.329 3.050 -15.288 1.00 0.00 H new ATOM 1854 N VAL A 123 15.913 4.879 -11.465 1.00 0.00 N ATOM 1855 CA VAL A 123 14.575 5.022 -10.918 1.00 0.00 C ATOM 1856 C VAL A 123 13.576 4.181 -11.727 1.00 0.00 C ATOM 1857 O VAL A 123 12.820 3.417 -11.129 1.00 0.00 O ATOM 1858 CB VAL A 123 14.189 6.510 -10.903 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.754 6.676 -10.411 1.00 0.00 C ATOM 1860 CG2 VAL A 123 15.087 7.348 -9.982 1.00 0.00 C ATOM 0 H VAL A 123 16.366 5.769 -11.674 1.00 0.00 H new ATOM 0 HA VAL A 123 14.552 4.653 -9.893 1.00 0.00 H new ATOM 0 HB VAL A 123 14.306 6.862 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.492 7.734 -10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.077 6.138 -11.075 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.667 6.274 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.768 8.390 -10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.011 6.974 -8.961 1.00 0.00 H new ATOM 0 HG23 VAL A 123 16.121 7.276 -10.318 1.00 0.00 H new ATOM 1870 N GLU A 124 13.564 4.284 -13.063 1.00 0.00 N ATOM 1871 CA GLU A 124 12.633 3.520 -13.892 1.00 0.00 C ATOM 1872 C GLU A 124 12.851 2.019 -13.702 1.00 0.00 C ATOM 1873 O GLU A 124 11.896 1.252 -13.578 1.00 0.00 O ATOM 1874 CB GLU A 124 12.781 3.878 -15.383 1.00 0.00 C ATOM 1875 CG GLU A 124 12.254 5.273 -15.737 1.00 0.00 C ATOM 1876 CD GLU A 124 12.286 5.543 -17.250 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.521 4.903 -18.008 1.00 0.00 O ATOM 1878 OE2 GLU A 124 13.051 6.430 -17.692 1.00 0.00 O ATOM 0 H GLU A 124 14.192 4.891 -13.590 1.00 0.00 H new ATOM 0 HA GLU A 124 11.624 3.782 -13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.833 3.816 -15.660 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.250 3.136 -15.980 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.231 5.376 -15.374 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.852 6.026 -15.223 1.00 0.00 H new ATOM 1885 N ASN A 125 14.116 1.611 -13.640 1.00 0.00 N ATOM 1886 CA ASN A 125 14.520 0.231 -13.442 1.00 0.00 C ATOM 1887 C ASN A 125 14.004 -0.281 -12.101 1.00 0.00 C ATOM 1888 O ASN A 125 13.453 -1.375 -12.019 1.00 0.00 O ATOM 1889 CB ASN A 125 16.053 0.133 -13.523 1.00 0.00 C ATOM 1890 CG ASN A 125 16.516 -1.254 -13.929 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.410 -2.214 -13.174 1.00 0.00 O ATOM 1892 ND2 ASN A 125 17.053 -1.373 -15.134 1.00 0.00 N ATOM 0 H ASN A 125 14.905 2.251 -13.729 1.00 0.00 H new ATOM 0 HA ASN A 125 14.089 -0.394 -14.224 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.425 0.864 -14.241 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.484 0.390 -12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.391 -2.281 -15.454 1.00 0.00 H new ATOM 0 HD22 ASN A 125 17.129 -0.557 -15.741 1.00 0.00 H new ATOM 1899 N LEU A 126 14.141 0.531 -11.051 1.00 0.00 N ATOM 1900 CA LEU A 126 13.712 0.181 -9.710 1.00 0.00 C ATOM 1901 C LEU A 126 12.191 0.094 -9.633 1.00 0.00 C ATOM 1902 O LEU A 126 11.696 -0.918 -9.149 1.00 0.00 O ATOM 1903 CB LEU A 126 14.427 1.029 -8.638 1.00 0.00 C ATOM 1904 CG LEU A 126 13.567 2.099 -7.956 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.762 1.501 -6.805 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.436 3.204 -7.367 1.00 0.00 C ATOM 0 H LEU A 126 14.559 1.459 -11.116 1.00 0.00 H new ATOM 0 HA LEU A 126 14.039 -0.829 -9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.817 0.359 -7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.285 1.518 -9.100 1.00 0.00 H new ATOM 0 HG LEU A 126 12.903 2.500 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.160 2.281 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.107 0.718 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.443 1.077 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.801 3.950 -6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.115 2.778 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 126 15.014 3.675 -8.162 1.00 0.00 H new ATOM 1918 N ILE A 127 11.450 1.066 -10.176 1.00 0.00 N ATOM 1919 CA ILE A 127 9.999 1.007 -10.305 1.00 0.00 C ATOM 1920 C ILE A 127 9.606 -0.308 -10.979 1.00 0.00 C ATOM 1921 O ILE A 127 8.655 -0.937 -10.525 1.00 0.00 O ATOM 1922 CB ILE A 127 9.481 2.242 -11.086 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.501 3.516 -10.210 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.045 2.007 -11.583 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.318 4.828 -10.994 1.00 0.00 C ATOM 0 H ILE A 127 11.853 1.928 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 127 9.534 1.033 -9.320 1.00 0.00 H new ATOM 0 HB ILE A 127 10.149 2.385 -11.936 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.712 3.441 -9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.448 3.557 -9.671 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.700 2.886 -12.128 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.026 1.140 -12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.389 1.829 -10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.345 5.671 -10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.121 4.931 -11.724 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.358 4.812 -11.511 1.00 0.00 H new ATOM 1937 N ALA A 128 10.305 -0.748 -12.027 1.00 0.00 N ATOM 1938 CA ALA A 128 9.879 -1.907 -12.809 1.00 0.00 C ATOM 1939 C ALA A 128 9.829 -3.179 -11.950 1.00 0.00 C ATOM 1940 O ALA A 128 9.018 -4.072 -12.198 1.00 0.00 O ATOM 1941 CB ALA A 128 10.796 -2.096 -14.022 1.00 0.00 C ATOM 0 H ALA A 128 11.170 -0.317 -12.353 1.00 0.00 H new ATOM 0 HA ALA A 128 8.867 -1.720 -13.167 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.467 -2.963 -14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.754 -1.207 -14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.820 -2.253 -13.683 1.00 0.00 H new ATOM 1947 N LYS A 129 10.689 -3.252 -10.931 1.00 0.00 N ATOM 1948 CA LYS A 129 10.780 -4.354 -9.986 1.00 0.00 C ATOM 1949 C LYS A 129 9.582 -4.357 -9.036 1.00 0.00 C ATOM 1950 O LYS A 129 9.000 -5.412 -8.782 1.00 0.00 O ATOM 1951 CB LYS A 129 12.091 -4.219 -9.204 1.00 0.00 C ATOM 1952 CG LYS A 129 13.306 -4.320 -10.136 1.00 0.00 C ATOM 1953 CD LYS A 129 14.607 -3.984 -9.406 1.00 0.00 C ATOM 1954 CE LYS A 129 15.616 -3.462 -10.436 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.019 -3.567 -9.982 1.00 0.00 N ATOM 0 H LYS A 129 11.365 -2.513 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 129 10.769 -5.300 -10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.109 -3.263 -8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.146 -4.999 -8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.368 -5.328 -10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.176 -3.641 -10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.428 -3.233 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.000 -4.868 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.499 -4.020 -11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.390 -2.419 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.630 -3.007 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.097 -3.205 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.318 -4.563 -10.006 1.00 0.00 H new ATOM 1969 N ILE A 130 9.231 -3.186 -8.498 1.00 0.00 N ATOM 1970 CA ILE A 130 8.238 -3.022 -7.443 1.00 0.00 C ATOM 1971 C ILE A 130 6.800 -2.903 -7.958 1.00 0.00 C ATOM 1972 O ILE A 130 5.864 -3.253 -7.237 1.00 0.00 O ATOM 1973 CB ILE A 130 8.607 -1.817 -6.552 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.881 -0.502 -7.297 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.781 -2.229 -5.642 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.397 0.642 -6.416 1.00 0.00 C ATOM 0 H ILE A 130 9.644 -2.302 -8.796 1.00 0.00 H new ATOM 0 HA ILE A 130 8.261 -3.937 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 130 7.725 -1.576 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.610 -0.692 -8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.961 -0.179 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.058 -1.390 -5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.482 -3.074 -5.022 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.635 -2.514 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.561 1.528 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.661 0.867 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.336 0.346 -5.948 1.00 0.00 H new ATOM 1988 N SER A 131 6.642 -2.404 -9.181 1.00 0.00 N ATOM 1989 CA SER A 131 5.378 -2.265 -9.899 1.00 0.00 C ATOM 1990 C SER A 131 4.529 -3.536 -9.769 1.00 0.00 C ATOM 1991 O SER A 131 3.341 -3.423 -9.403 1.00 0.00 O ATOM 1992 CB SER A 131 5.650 -1.953 -11.373 1.00 0.00 C ATOM 1993 OG SER A 131 6.241 -0.677 -11.483 1.00 0.00 O ATOM 1994 OXT SER A 131 5.038 -4.642 -10.055 1.00 0.00 O ATOM 0 H SER A 131 7.435 -2.068 -9.727 1.00 0.00 H new ATOM 0 HA SER A 131 4.818 -1.441 -9.457 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.309 -2.709 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.720 -1.985 -11.940 1.00 0.00 H new ATOM 0 HG SER A 131 7.151 -0.706 -11.120 1.00 0.00 H new TER 2000 SER A 131