USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 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 33 THR OG1 : rot 162:sc= 0.985 USER MOD Set 1.2: A 73 TYR OH : rot -177:sc= 1.59 USER MOD Set 2.1: A 11 ASN : amide:sc= 2.03 K(o=7.2,f=-1.5) USER MOD Set 2.2: A 16 GLN : amide:sc= 1.62 K(o=7.2,f=-0.7) USER MOD Set 2.3: A 34 SER OG : rot -110:sc= 1.61 USER MOD Set 2.4: A 60 GLN : amide:sc= 1.16 K(o=7.2,f=4.9) USER MOD Set 2.5: A 62 SER OG : rot -67:sc= 0.743 USER MOD Set 3.1: A 12 SER OG : rot -92:sc= 0.0771 USER MOD Set 3.2: A 13 CYS SG : rot 59:sc= -0.428 USER MOD Set 3.3: A 40 SER OG : rot 33:sc= 0.497 USER MOD Set 3.4: A 43 HIS : no HD1:sc= -1.32 X(o=-1.2,f=-1.5) USER MOD Set 4.1: A 5 MET CE :methyl -155:sc= -0.44 (180deg=-1.26) USER MOD Set 4.2: A 35 CYS SG : rot 25:sc= 0.541 USER MOD Single : A 1 MET CE :methyl -128:sc= 0 (180deg=-0.0074) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0032 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -156:sc= 2.23 (180deg=1.72) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.04) USER MOD Single : A 8 CYS SG : rot -124:sc= 0.318 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -159:sc= -0.116 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0981 (180deg=-0.0981) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.01 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0044 USER MOD Single : A 49 MET CE :methyl -152:sc= -1.05 (180deg=-2.3!) USER MOD Single : A 50 MET CE :methyl -127:sc= -4.28 (180deg=-14.2!) USER MOD Single : A 58 SER OG : rot -74:sc= 1.28 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.12 K(o=1.1,f=-0.47) USER MOD Single : A 69 ASN : amide:sc= 1.11 K(o=1.1,f=-0.028) USER MOD Single : A 78 SER OG : rot -100: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= 0.587 K(o=0.59,f=-2.8!) USER MOD Single : A 92 THR OG1 : rot -25:sc= 0.203 USER MOD Single : A 93 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.5) USER MOD Single : A 100 GLN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.88 K(o=0.88,f=-1.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 118 GLN : amide:sc= 0.856 K(o=0.86,f=-5.6!) USER MOD Single : A 120 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.14) USER MOD Single : A 125 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 172:sc= 0.579 (180deg=0.551) USER MOD Single : A 131 SER OG : rot 57:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.650 -0.552 -2.043 1.00 0.00 N ATOM 2 CA MET A 1 2.584 0.558 -2.358 1.00 0.00 C ATOM 3 C MET A 1 3.920 0.346 -1.648 1.00 0.00 C ATOM 4 O MET A 1 3.965 -0.040 -0.479 1.00 0.00 O ATOM 5 CB MET A 1 1.968 1.930 -2.016 1.00 0.00 C ATOM 6 CG MET A 1 2.925 3.125 -2.154 1.00 0.00 C ATOM 7 SD MET A 1 2.098 4.740 -2.195 1.00 0.00 S ATOM 8 CE MET A 1 1.467 4.765 -3.899 1.00 0.00 C ATOM 0 H1 MET A 1 0.681 -0.180 -1.969 1.00 0.00 H new ATOM 0 H2 MET A 1 1.691 -1.265 -2.799 1.00 0.00 H new ATOM 0 H3 MET A 1 1.923 -0.989 -1.140 1.00 0.00 H new ATOM 0 HA MET A 1 2.768 0.554 -3.432 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.107 2.097 -2.664 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.595 1.899 -0.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.628 3.111 -1.322 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.509 3.005 -3.067 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.778 5.688 -4.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.865 3.911 -4.447 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.378 4.711 -3.885 1.00 0.00 H new ATOM 18 N LYS A 2 5.019 0.613 -2.359 1.00 0.00 N ATOM 19 CA LYS A 2 6.375 0.543 -1.810 1.00 0.00 C ATOM 20 C LYS A 2 6.818 1.939 -1.384 1.00 0.00 C ATOM 21 O LYS A 2 6.603 2.905 -2.115 1.00 0.00 O ATOM 22 CB LYS A 2 7.343 -0.011 -2.873 1.00 0.00 C ATOM 23 CG LYS A 2 7.627 -1.509 -2.735 1.00 0.00 C ATOM 24 CD LYS A 2 6.475 -2.417 -3.192 1.00 0.00 C ATOM 25 CE LYS A 2 6.925 -3.887 -3.264 1.00 0.00 C ATOM 26 NZ LYS A 2 7.224 -4.466 -1.934 1.00 0.00 N ATOM 0 H LYS A 2 4.992 0.886 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 2 6.383 -0.121 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.928 0.180 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.285 0.534 -2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.518 -1.753 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.855 -1.729 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.637 -2.323 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.119 -2.094 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.144 -4.477 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.812 -3.959 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.881 -5.265 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.658 -3.740 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.343 -4.801 -1.495 1.00 0.00 H new ATOM 40 N LYS A 3 7.483 2.049 -0.235 1.00 0.00 N ATOM 41 CA LYS A 3 8.138 3.284 0.186 1.00 0.00 C ATOM 42 C LYS A 3 9.588 3.250 -0.242 1.00 0.00 C ATOM 43 O LYS A 3 10.353 2.453 0.299 1.00 0.00 O ATOM 44 CB LYS A 3 7.985 3.498 1.698 1.00 0.00 C ATOM 45 CG LYS A 3 6.733 4.364 1.891 1.00 0.00 C ATOM 46 CD LYS A 3 6.395 4.599 3.360 1.00 0.00 C ATOM 47 CE LYS A 3 5.339 5.701 3.475 1.00 0.00 C ATOM 48 NZ LYS A 3 4.945 5.930 4.883 1.00 0.00 N ATOM 0 H LYS A 3 7.582 1.282 0.430 1.00 0.00 H new ATOM 0 HA LYS A 3 7.659 4.135 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.881 2.545 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.865 3.991 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.883 5.325 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.886 3.884 1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.024 3.678 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.293 4.883 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.729 6.626 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.461 5.427 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.293 6.738 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.473 5.081 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.792 6.132 5.452 1.00 0.00 H new ATOM 62 N VAL A 4 9.940 4.091 -1.206 1.00 0.00 N ATOM 63 CA VAL A 4 11.271 4.218 -1.772 1.00 0.00 C ATOM 64 C VAL A 4 12.003 5.316 -1.010 1.00 0.00 C ATOM 65 O VAL A 4 11.463 6.397 -0.768 1.00 0.00 O ATOM 66 CB VAL A 4 11.148 4.564 -3.272 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.510 4.777 -3.948 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.417 3.461 -4.049 1.00 0.00 C ATOM 0 H VAL A 4 9.271 4.732 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 4 11.831 3.287 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 4 10.581 5.494 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.360 5.017 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.034 5.598 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.104 3.867 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.350 3.740 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.968 2.525 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.414 3.334 -3.643 1.00 0.00 H new ATOM 78 N MET A 5 13.262 5.045 -0.696 1.00 0.00 N ATOM 79 CA MET A 5 14.187 6.000 -0.115 1.00 0.00 C ATOM 80 C MET A 5 15.370 6.182 -1.074 1.00 0.00 C ATOM 81 O MET A 5 15.823 5.194 -1.646 1.00 0.00 O ATOM 82 CB MET A 5 14.594 5.466 1.266 1.00 0.00 C ATOM 83 CG MET A 5 15.771 6.231 1.856 1.00 0.00 C ATOM 84 SD MET A 5 15.553 8.029 2.042 1.00 0.00 S ATOM 85 CE MET A 5 14.284 8.106 3.330 1.00 0.00 C ATOM 0 H MET A 5 13.678 4.125 -0.844 1.00 0.00 H new ATOM 0 HA MET A 5 13.744 6.986 0.025 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.743 5.532 1.944 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.854 4.411 1.183 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.996 5.810 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.643 6.055 1.226 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.738 9.046 3.247 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.592 7.272 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.757 8.046 4.310 1.00 0.00 H new ATOM 95 N PHE A 6 15.910 7.400 -1.202 1.00 0.00 N ATOM 96 CA PHE A 6 17.162 7.695 -1.910 1.00 0.00 C ATOM 97 C PHE A 6 18.133 8.351 -0.912 1.00 0.00 C ATOM 98 O PHE A 6 17.778 9.390 -0.360 1.00 0.00 O ATOM 99 CB PHE A 6 16.919 8.606 -3.117 1.00 0.00 C ATOM 100 CG PHE A 6 16.020 8.009 -4.184 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.551 7.134 -5.158 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.651 8.336 -4.207 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.720 6.579 -6.152 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.834 7.766 -5.202 1.00 0.00 C ATOM 105 CZ PHE A 6 14.359 6.898 -6.165 1.00 0.00 C ATOM 0 H PHE A 6 15.475 8.232 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 6 17.591 6.770 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.478 9.540 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.880 8.856 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.603 6.888 -5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.235 9.012 -3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.131 5.913 -6.897 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.781 8.004 -5.222 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.713 6.474 -6.919 1.00 0.00 H new ATOM 115 N VAL A 7 19.336 7.814 -0.673 1.00 0.00 N ATOM 116 CA VAL A 7 20.271 8.315 0.351 1.00 0.00 C ATOM 117 C VAL A 7 21.637 8.569 -0.286 1.00 0.00 C ATOM 118 O VAL A 7 22.235 7.634 -0.813 1.00 0.00 O ATOM 119 CB VAL A 7 20.461 7.284 1.493 1.00 0.00 C ATOM 120 CG1 VAL A 7 21.304 7.866 2.641 1.00 0.00 C ATOM 121 CG2 VAL A 7 19.144 6.754 2.062 1.00 0.00 C ATOM 0 H VAL A 7 19.695 7.011 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 7 19.852 9.234 0.761 1.00 0.00 H new ATOM 0 HB VAL A 7 20.985 6.446 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.418 7.117 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 7 22.287 8.149 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.805 8.745 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.353 6.038 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.562 7.583 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.577 6.263 1.271 1.00 0.00 H new ATOM 131 N CYS A 8 22.181 9.784 -0.182 1.00 0.00 N ATOM 132 CA CYS A 8 23.515 10.109 -0.693 1.00 0.00 C ATOM 133 C CYS A 8 24.412 10.543 0.453 1.00 0.00 C ATOM 134 O CYS A 8 23.941 10.911 1.526 1.00 0.00 O ATOM 135 CB CYS A 8 23.395 11.202 -1.775 1.00 0.00 C ATOM 136 SG CYS A 8 24.970 11.692 -2.544 1.00 0.00 S ATOM 0 H CYS A 8 21.708 10.572 0.260 1.00 0.00 H new ATOM 0 HA CYS A 8 23.968 9.229 -1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.721 10.849 -2.555 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.934 12.084 -1.331 1.00 0.00 H new ATOM 0 HG CYS A 8 25.132 12.976 -2.422 1.00 0.00 H new ATOM 142 N LYS A 9 25.721 10.578 0.212 1.00 0.00 N ATOM 143 CA LYS A 9 26.671 11.181 1.140 1.00 0.00 C ATOM 144 C LYS A 9 26.454 12.709 1.263 1.00 0.00 C ATOM 145 O LYS A 9 27.001 13.328 2.173 1.00 0.00 O ATOM 146 CB LYS A 9 28.097 10.724 0.769 1.00 0.00 C ATOM 147 CG LYS A 9 28.759 11.510 -0.375 1.00 0.00 C ATOM 148 CD LYS A 9 30.047 10.836 -0.887 1.00 0.00 C ATOM 149 CE LYS A 9 31.073 10.419 0.185 1.00 0.00 C ATOM 150 NZ LYS A 9 31.671 11.574 0.906 1.00 0.00 N ATOM 0 H LYS A 9 26.150 10.191 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 9 26.502 10.827 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.728 10.801 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.063 9.670 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.053 11.610 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.992 12.518 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.766 9.949 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.537 11.518 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.588 9.761 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.869 9.843 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.351 11.228 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.160 12.191 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.920 12.112 1.384 1.00 0.00 H new ATOM 164 N ARG A 10 25.640 13.309 0.378 1.00 0.00 N ATOM 165 CA ARG A 10 25.119 14.670 0.410 1.00 0.00 C ATOM 166 C ARG A 10 23.817 14.623 -0.392 1.00 0.00 C ATOM 167 O ARG A 10 23.830 14.411 -1.602 1.00 0.00 O ATOM 168 CB ARG A 10 26.133 15.703 -0.128 1.00 0.00 C ATOM 169 CG ARG A 10 26.753 15.446 -1.519 1.00 0.00 C ATOM 170 CD ARG A 10 27.592 16.645 -1.978 1.00 0.00 C ATOM 171 NE ARG A 10 28.766 16.884 -1.119 1.00 0.00 N ATOM 172 CZ ARG A 10 29.990 16.362 -1.278 1.00 0.00 C ATOM 173 NH1 ARG A 10 30.262 15.523 -2.274 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.951 16.681 -0.415 1.00 0.00 N ATOM 0 H ARG A 10 25.307 12.805 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 10 24.933 15.007 1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.639 16.674 -0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.947 15.780 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.377 14.553 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.962 15.253 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 10 27.925 16.478 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.967 17.538 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 10 28.633 17.509 -0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.531 15.264 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 10 31.201 15.138 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.752 17.317 0.358 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.886 16.290 -0.526 1.00 0.00 H new ATOM 188 N ASN A 11 22.681 14.712 0.299 1.00 0.00 N ATOM 189 CA ASN A 11 21.328 14.645 -0.287 1.00 0.00 C ATOM 190 C ASN A 11 21.165 15.540 -1.529 1.00 0.00 C ATOM 191 O ASN A 11 20.489 15.157 -2.484 1.00 0.00 O ATOM 192 CB ASN A 11 20.299 15.089 0.765 1.00 0.00 C ATOM 193 CG ASN A 11 18.914 15.233 0.144 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.479 16.343 -0.131 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.209 14.146 -0.111 1.00 0.00 N ATOM 0 H ASN A 11 22.668 14.836 1.311 1.00 0.00 H new ATOM 0 HA ASN A 11 21.169 13.612 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.265 14.361 1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.607 16.039 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.288 14.225 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.585 13.227 0.124 1.00 0.00 H new ATOM 202 N SER A 12 21.781 16.722 -1.479 1.00 0.00 N ATOM 203 CA SER A 12 21.669 17.866 -2.378 1.00 0.00 C ATOM 204 C SER A 12 21.548 17.588 -3.875 1.00 0.00 C ATOM 205 O SER A 12 20.889 18.377 -4.561 1.00 0.00 O ATOM 206 CB SER A 12 22.894 18.764 -2.149 1.00 0.00 C ATOM 207 OG SER A 12 24.092 18.012 -1.992 1.00 0.00 O ATOM 0 H SER A 12 22.440 16.920 -0.726 1.00 0.00 H new ATOM 0 HA SER A 12 20.714 18.324 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.004 19.447 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.733 19.376 -1.262 1.00 0.00 H new ATOM 0 HG SER A 12 24.241 17.829 -1.041 1.00 0.00 H new ATOM 213 N CYS A 13 22.179 16.523 -4.383 1.00 0.00 N ATOM 214 CA CYS A 13 22.315 16.299 -5.817 1.00 0.00 C ATOM 215 C CYS A 13 21.722 14.956 -6.240 1.00 0.00 C ATOM 216 O CYS A 13 20.628 14.938 -6.810 1.00 0.00 O ATOM 217 CB CYS A 13 23.795 16.438 -6.220 1.00 0.00 C ATOM 218 SG CYS A 13 24.479 18.008 -5.622 1.00 0.00 S ATOM 0 H CYS A 13 22.607 15.797 -3.809 1.00 0.00 H new ATOM 0 HA CYS A 13 21.742 17.058 -6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.368 15.606 -5.810 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.888 16.385 -7.305 1.00 0.00 H new ATOM 0 HG CYS A 13 24.366 18.066 -4.328 1.00 0.00 H new ATOM 224 N ARG A 14 22.421 13.839 -5.973 1.00 0.00 N ATOM 225 CA ARG A 14 22.038 12.539 -6.535 1.00 0.00 C ATOM 226 C ARG A 14 20.605 12.184 -6.096 1.00 0.00 C ATOM 227 O ARG A 14 19.760 11.872 -6.937 1.00 0.00 O ATOM 228 CB ARG A 14 23.012 11.415 -6.130 1.00 0.00 C ATOM 229 CG ARG A 14 24.460 11.534 -6.649 1.00 0.00 C ATOM 230 CD ARG A 14 25.205 10.299 -6.124 1.00 0.00 C ATOM 231 NE ARG A 14 26.651 10.235 -6.427 1.00 0.00 N ATOM 232 CZ ARG A 14 27.617 9.957 -5.533 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.372 9.970 -4.232 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.848 9.669 -5.943 1.00 0.00 N ATOM 0 H ARG A 14 23.247 13.813 -5.376 1.00 0.00 H new ATOM 0 HA ARG A 14 22.082 12.625 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.043 11.367 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.602 10.467 -6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.482 11.568 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.927 12.452 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.079 10.256 -5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.728 9.410 -6.536 1.00 0.00 H new ATOM 0 HE ARG A 14 26.938 10.416 -7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.437 10.194 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.118 9.756 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 14 29.064 9.658 -6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.577 9.459 -5.261 1.00 0.00 H new ATOM 248 N SER A 15 20.323 12.259 -4.789 1.00 0.00 N ATOM 249 CA SER A 15 19.051 11.826 -4.216 1.00 0.00 C ATOM 250 C SER A 15 17.903 12.732 -4.665 1.00 0.00 C ATOM 251 O SER A 15 16.824 12.241 -4.990 1.00 0.00 O ATOM 252 CB SER A 15 19.122 11.849 -2.684 1.00 0.00 C ATOM 253 OG SER A 15 20.411 11.602 -2.169 1.00 0.00 O ATOM 0 H SER A 15 20.978 12.625 -4.098 1.00 0.00 H new ATOM 0 HA SER A 15 18.864 10.811 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.779 12.821 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.433 11.103 -2.287 1.00 0.00 H new ATOM 0 HG SER A 15 20.340 11.303 -1.239 1.00 0.00 H new ATOM 259 N GLN A 16 18.130 14.051 -4.678 1.00 0.00 N ATOM 260 CA GLN A 16 17.103 15.044 -4.984 1.00 0.00 C ATOM 261 C GLN A 16 16.528 14.828 -6.386 1.00 0.00 C ATOM 262 O GLN A 16 15.307 14.834 -6.556 1.00 0.00 O ATOM 263 CB GLN A 16 17.710 16.451 -4.838 1.00 0.00 C ATOM 264 CG GLN A 16 17.743 16.912 -3.372 1.00 0.00 C ATOM 265 CD GLN A 16 16.361 17.252 -2.806 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.474 17.723 -3.507 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.147 17.028 -1.525 1.00 0.00 N ATOM 0 H GLN A 16 19.042 14.459 -4.474 1.00 0.00 H new ATOM 0 HA GLN A 16 16.276 14.937 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.722 16.453 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.129 17.160 -5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.193 16.128 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.386 17.788 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.889 16.636 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.240 17.247 -1.114 1.00 0.00 H new ATOM 276 N MET A 17 17.392 14.593 -7.380 1.00 0.00 N ATOM 277 CA MET A 17 16.937 14.298 -8.734 1.00 0.00 C ATOM 278 C MET A 17 16.189 12.969 -8.784 1.00 0.00 C ATOM 279 O MET A 17 15.112 12.895 -9.378 1.00 0.00 O ATOM 280 CB MET A 17 18.126 14.269 -9.698 1.00 0.00 C ATOM 281 CG MET A 17 18.601 15.683 -10.051 1.00 0.00 C ATOM 282 SD MET A 17 19.566 15.814 -11.582 1.00 0.00 S ATOM 283 CE MET A 17 21.142 15.122 -11.026 1.00 0.00 C ATOM 0 H MET A 17 18.406 14.602 -7.268 1.00 0.00 H new ATOM 0 HA MET A 17 16.250 15.087 -9.039 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.947 13.711 -9.248 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.844 13.741 -10.609 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.729 16.332 -10.133 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.204 16.063 -9.226 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.854 15.129 -11.852 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.533 15.722 -10.205 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.990 14.098 -10.686 1.00 0.00 H new ATOM 293 N ALA A 18 16.736 11.926 -8.150 1.00 0.00 N ATOM 294 CA ALA A 18 16.121 10.607 -8.161 1.00 0.00 C ATOM 295 C ALA A 18 14.700 10.665 -7.605 1.00 0.00 C ATOM 296 O ALA A 18 13.793 10.036 -8.151 1.00 0.00 O ATOM 297 CB ALA A 18 16.991 9.631 -7.367 1.00 0.00 C ATOM 0 H ALA A 18 17.607 11.977 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 18 16.051 10.253 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.530 8.643 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.980 9.574 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.083 9.980 -6.338 1.00 0.00 H new ATOM 303 N GLU A 19 14.498 11.468 -6.561 1.00 0.00 N ATOM 304 CA GLU A 19 13.192 11.653 -5.962 1.00 0.00 C ATOM 305 C GLU A 19 12.244 12.335 -6.939 1.00 0.00 C ATOM 306 O GLU A 19 11.185 11.776 -7.215 1.00 0.00 O ATOM 307 CB GLU A 19 13.323 12.400 -4.634 1.00 0.00 C ATOM 308 CG GLU A 19 12.005 12.985 -4.103 1.00 0.00 C ATOM 309 CD GLU A 19 12.165 13.456 -2.652 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.157 14.164 -2.370 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.316 13.114 -1.800 1.00 0.00 O ATOM 0 H GLU A 19 15.240 12.005 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 19 12.754 10.681 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.732 11.720 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.043 13.209 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.694 13.821 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.218 12.233 -4.162 1.00 0.00 H new ATOM 318 N GLY A 20 12.614 13.498 -7.484 1.00 0.00 N ATOM 319 CA GLY A 20 11.776 14.217 -8.438 1.00 0.00 C ATOM 320 C GLY A 20 11.316 13.328 -9.600 1.00 0.00 C ATOM 321 O GLY A 20 10.142 13.390 -9.980 1.00 0.00 O ATOM 0 H GLY A 20 13.498 13.962 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.903 14.616 -7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.329 15.069 -8.833 1.00 0.00 H new ATOM 325 N PHE A 21 12.191 12.472 -10.148 1.00 0.00 N ATOM 326 CA PHE A 21 11.763 11.541 -11.189 1.00 0.00 C ATOM 327 C PHE A 21 10.812 10.508 -10.588 1.00 0.00 C ATOM 328 O PHE A 21 9.744 10.295 -11.142 1.00 0.00 O ATOM 329 CB PHE A 21 12.945 10.876 -11.922 1.00 0.00 C ATOM 330 CG PHE A 21 13.843 11.845 -12.673 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.327 12.676 -13.692 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.189 11.982 -12.290 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.108 13.724 -14.209 1.00 0.00 C ATOM 334 CE2 PHE A 21 15.976 13.013 -12.824 1.00 0.00 C ATOM 335 CZ PHE A 21 15.413 13.912 -13.743 1.00 0.00 C ATOM 0 H PHE A 21 13.176 12.408 -9.892 1.00 0.00 H new ATOM 0 HA PHE A 21 11.234 12.111 -11.953 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.547 10.331 -11.195 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.553 10.142 -12.626 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.331 12.506 -14.074 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.619 11.290 -11.581 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.702 14.382 -14.963 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.010 13.115 -12.529 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.991 14.754 -14.093 1.00 0.00 H new ATOM 345 N ALA A 22 11.120 9.900 -9.444 1.00 0.00 N ATOM 346 CA ALA A 22 10.304 8.854 -8.834 1.00 0.00 C ATOM 347 C ALA A 22 8.872 9.310 -8.542 1.00 0.00 C ATOM 348 O ALA A 22 7.935 8.599 -8.908 1.00 0.00 O ATOM 349 CB ALA A 22 10.997 8.354 -7.567 1.00 0.00 C ATOM 0 H ALA A 22 11.957 10.125 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 22 10.213 8.037 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.393 7.572 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.977 7.952 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.116 9.181 -6.867 1.00 0.00 H new ATOM 355 N LYS A 23 8.664 10.493 -7.952 1.00 0.00 N ATOM 356 CA LYS A 23 7.324 11.025 -7.736 1.00 0.00 C ATOM 357 C LYS A 23 6.615 11.442 -9.028 1.00 0.00 C ATOM 358 O LYS A 23 5.433 11.772 -8.972 1.00 0.00 O ATOM 359 CB LYS A 23 7.298 12.131 -6.670 1.00 0.00 C ATOM 360 CG LYS A 23 8.482 13.105 -6.648 1.00 0.00 C ATOM 361 CD LYS A 23 8.118 14.441 -6.002 1.00 0.00 C ATOM 362 CE LYS A 23 7.383 15.301 -7.037 1.00 0.00 C ATOM 363 NZ LYS A 23 6.953 16.610 -6.483 1.00 0.00 N ATOM 0 H LYS A 23 9.413 11.098 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 23 6.741 10.193 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.385 12.711 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.232 11.656 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.311 12.654 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.827 13.278 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.487 14.279 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.017 14.951 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.035 15.469 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.510 14.759 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.461 17.154 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.310 16.453 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.787 17.141 -6.159 1.00 0.00 H new ATOM 377 N THR A 24 7.271 11.409 -10.186 1.00 0.00 N ATOM 378 CA THR A 24 6.623 11.586 -11.466 1.00 0.00 C ATOM 379 C THR A 24 6.336 10.223 -12.109 1.00 0.00 C ATOM 380 O THR A 24 5.225 9.963 -12.573 1.00 0.00 O ATOM 381 CB THR A 24 7.552 12.450 -12.340 1.00 0.00 C ATOM 382 OG1 THR A 24 7.904 13.652 -11.674 1.00 0.00 O ATOM 383 CG2 THR A 24 6.868 12.806 -13.654 1.00 0.00 C ATOM 0 H THR A 24 8.277 11.257 -10.253 1.00 0.00 H new ATOM 0 HA THR A 24 5.661 12.087 -11.354 1.00 0.00 H new ATOM 0 HB THR A 24 8.452 11.867 -12.535 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.684 13.493 -11.103 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.538 13.416 -14.259 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.621 11.892 -14.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.954 13.364 -13.449 1.00 0.00 H new ATOM 391 N LEU A 25 7.342 9.351 -12.126 1.00 0.00 N ATOM 392 CA LEU A 25 7.363 8.098 -12.861 1.00 0.00 C ATOM 393 C LEU A 25 6.546 7.019 -12.165 1.00 0.00 C ATOM 394 O LEU A 25 5.840 6.256 -12.825 1.00 0.00 O ATOM 395 CB LEU A 25 8.814 7.595 -12.960 1.00 0.00 C ATOM 396 CG LEU A 25 9.778 8.462 -13.790 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.182 7.883 -13.620 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.391 8.485 -15.272 1.00 0.00 C ATOM 0 H LEU A 25 8.202 9.511 -11.602 1.00 0.00 H new ATOM 0 HA LEU A 25 6.934 8.288 -13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.216 7.506 -11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.801 6.592 -13.387 1.00 0.00 H new ATOM 0 HG LEU A 25 9.734 9.492 -13.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.892 8.475 -14.197 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.460 7.907 -12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.196 6.853 -13.975 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.096 9.108 -15.823 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.415 7.471 -15.670 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.386 8.893 -15.379 1.00 0.00 H new ATOM 410 N GLY A 26 6.663 6.954 -10.839 1.00 0.00 N ATOM 411 CA GLY A 26 6.142 5.855 -10.042 1.00 0.00 C ATOM 412 C GLY A 26 5.107 6.253 -9.004 1.00 0.00 C ATOM 413 O GLY A 26 4.549 5.353 -8.372 1.00 0.00 O ATOM 0 H GLY A 26 7.128 7.674 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.699 5.118 -10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.974 5.366 -9.535 1.00 0.00 H new ATOM 417 N ALA A 27 4.825 7.546 -8.814 1.00 0.00 N ATOM 418 CA ALA A 27 3.695 7.978 -7.998 1.00 0.00 C ATOM 419 C ALA A 27 2.419 7.296 -8.517 1.00 0.00 C ATOM 420 O ALA A 27 1.953 7.596 -9.619 1.00 0.00 O ATOM 421 CB ALA A 27 3.584 9.508 -8.003 1.00 0.00 C ATOM 0 H ALA A 27 5.367 8.310 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 27 3.843 7.681 -6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.736 9.813 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.499 9.941 -7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.438 9.859 -9.025 1.00 0.00 H new ATOM 427 N GLY A 28 1.908 6.335 -7.742 1.00 0.00 N ATOM 428 CA GLY A 28 0.837 5.422 -8.137 1.00 0.00 C ATOM 429 C GLY A 28 1.122 3.985 -7.682 1.00 0.00 C ATOM 430 O GLY A 28 0.185 3.249 -7.371 1.00 0.00 O ATOM 0 H GLY A 28 2.241 6.168 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.106 5.760 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.720 5.445 -9.220 1.00 0.00 H new ATOM 434 N LYS A 29 2.404 3.602 -7.567 1.00 0.00 N ATOM 435 CA LYS A 29 2.845 2.328 -6.978 1.00 0.00 C ATOM 436 C LYS A 29 3.906 2.541 -5.907 1.00 0.00 C ATOM 437 O LYS A 29 4.052 1.691 -5.026 1.00 0.00 O ATOM 438 CB LYS A 29 3.350 1.331 -8.041 1.00 0.00 C ATOM 439 CG LYS A 29 4.646 1.734 -8.774 1.00 0.00 C ATOM 440 CD LYS A 29 4.431 2.559 -10.043 1.00 0.00 C ATOM 441 CE LYS A 29 3.922 1.671 -11.189 1.00 0.00 C ATOM 442 NZ LYS A 29 3.750 2.417 -12.462 1.00 0.00 N ATOM 0 H LYS A 29 3.179 4.182 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 29 1.964 1.891 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.511 0.366 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.564 1.190 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.273 2.304 -8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.197 0.830 -9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.713 3.356 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.366 3.037 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.622 0.851 -11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.969 1.226 -10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.405 1.770 -13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.061 3.184 -12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.663 2.820 -12.754 1.00 0.00 H new ATOM 456 N ILE A 30 4.609 3.674 -5.948 1.00 0.00 N ATOM 457 CA ILE A 30 5.578 4.040 -4.929 1.00 0.00 C ATOM 458 C ILE A 30 5.263 5.397 -4.313 1.00 0.00 C ATOM 459 O ILE A 30 4.638 6.255 -4.939 1.00 0.00 O ATOM 460 CB ILE A 30 7.018 4.030 -5.483 1.00 0.00 C ATOM 461 CG1 ILE A 30 7.224 4.902 -6.736 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.464 2.592 -5.755 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.687 5.288 -6.983 1.00 0.00 C ATOM 0 H ILE A 30 4.517 4.363 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 30 5.507 3.285 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 30 7.640 4.480 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.847 4.366 -7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.629 5.810 -6.638 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.482 2.594 -6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.433 2.020 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.796 2.136 -6.485 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.755 5.901 -7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.064 5.852 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.284 4.386 -7.114 1.00 0.00 H new ATOM 475 N ALA A 31 5.759 5.573 -3.091 1.00 0.00 N ATOM 476 CA ALA A 31 5.818 6.821 -2.356 1.00 0.00 C ATOM 477 C ALA A 31 7.301 7.010 -2.059 1.00 0.00 C ATOM 478 O ALA A 31 7.961 6.065 -1.628 1.00 0.00 O ATOM 479 CB ALA A 31 5.011 6.713 -1.058 1.00 0.00 C ATOM 0 H ALA A 31 6.153 4.796 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 31 5.397 7.659 -2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.064 7.658 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.971 6.488 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.423 5.916 -0.439 1.00 0.00 H new ATOM 485 N VAL A 32 7.840 8.195 -2.315 1.00 0.00 N ATOM 486 CA VAL A 32 9.266 8.441 -2.278 1.00 0.00 C ATOM 487 C VAL A 32 9.663 9.466 -1.216 1.00 0.00 C ATOM 488 O VAL A 32 8.895 10.375 -0.886 1.00 0.00 O ATOM 489 CB VAL A 32 9.675 8.878 -3.694 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.829 10.001 -4.310 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.144 9.286 -3.745 1.00 0.00 C ATOM 0 H VAL A 32 7.288 9.018 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 32 9.797 7.534 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 32 9.494 7.989 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.202 10.232 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.790 9.679 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.894 10.891 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.402 9.590 -4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.314 10.119 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.767 8.442 -3.449 1.00 0.00 H new ATOM 501 N THR A 33 10.891 9.327 -0.716 1.00 0.00 N ATOM 502 CA THR A 33 11.571 10.306 0.100 1.00 0.00 C ATOM 503 C THR A 33 13.059 10.246 -0.276 1.00 0.00 C ATOM 504 O THR A 33 13.573 9.168 -0.576 1.00 0.00 O ATOM 505 CB THR A 33 11.365 10.003 1.596 1.00 0.00 C ATOM 506 OG1 THR A 33 10.014 9.696 1.905 1.00 0.00 O ATOM 507 CG2 THR A 33 11.797 11.164 2.494 1.00 0.00 C ATOM 0 H THR A 33 11.453 8.492 -0.881 1.00 0.00 H new ATOM 0 HA THR A 33 11.173 11.305 -0.077 1.00 0.00 H new ATOM 0 HB THR A 33 11.994 9.135 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.972 9.241 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.631 10.898 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.855 11.371 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.213 12.051 2.248 1.00 0.00 H new ATOM 515 N SER A 34 13.765 11.375 -0.289 1.00 0.00 N ATOM 516 CA SER A 34 15.214 11.407 -0.385 1.00 0.00 C ATOM 517 C SER A 34 15.775 11.928 0.936 1.00 0.00 C ATOM 518 O SER A 34 15.107 12.677 1.655 1.00 0.00 O ATOM 519 CB SER A 34 15.681 12.228 -1.588 1.00 0.00 C ATOM 520 OG SER A 34 15.512 13.624 -1.445 1.00 0.00 O ATOM 0 H SER A 34 13.338 12.300 -0.232 1.00 0.00 H new ATOM 0 HA SER A 34 15.596 10.400 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.736 12.019 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.135 11.897 -2.472 1.00 0.00 H new ATOM 0 HG SER A 34 14.804 13.931 -2.049 1.00 0.00 H new ATOM 526 N CYS A 35 17.003 11.530 1.259 1.00 0.00 N ATOM 527 CA CYS A 35 17.726 11.902 2.455 1.00 0.00 C ATOM 528 C CYS A 35 19.212 11.863 2.093 1.00 0.00 C ATOM 529 O CYS A 35 19.584 11.737 0.918 1.00 0.00 O ATOM 530 CB CYS A 35 17.391 10.906 3.583 1.00 0.00 C ATOM 531 SG CYS A 35 15.797 11.299 4.354 1.00 0.00 S ATOM 0 H CYS A 35 17.542 10.907 0.657 1.00 0.00 H new ATOM 0 HA CYS A 35 17.454 12.896 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.363 9.893 3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.178 10.928 4.337 1.00 0.00 H new ATOM 0 HG CYS A 35 15.059 11.960 3.512 1.00 0.00 H new ATOM 537 N GLY A 36 20.076 11.974 3.091 1.00 0.00 N ATOM 538 CA GLY A 36 21.493 11.735 2.937 1.00 0.00 C ATOM 539 C GLY A 36 22.079 11.348 4.281 1.00 0.00 C ATOM 540 O GLY A 36 21.466 11.628 5.317 1.00 0.00 O ATOM 0 H GLY A 36 19.804 12.236 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.664 10.941 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.986 12.629 2.555 1.00 0.00 H new ATOM 544 N LEU A 37 23.257 10.714 4.258 1.00 0.00 N ATOM 545 CA LEU A 37 24.022 10.387 5.468 1.00 0.00 C ATOM 546 C LEU A 37 24.247 11.637 6.323 1.00 0.00 C ATOM 547 O LEU A 37 24.312 11.551 7.549 1.00 0.00 O ATOM 548 CB LEU A 37 25.369 9.736 5.106 1.00 0.00 C ATOM 549 CG LEU A 37 25.284 8.212 4.902 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.582 7.704 4.269 1.00 0.00 C ATOM 551 CD2 LEU A 37 25.059 7.477 6.232 1.00 0.00 C ATOM 0 H LEU A 37 23.709 10.412 3.395 1.00 0.00 H new ATOM 0 HA LEU A 37 23.440 9.672 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.751 10.195 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 37 26.089 9.948 5.896 1.00 0.00 H new ATOM 0 HG LEU A 37 24.436 8.011 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.519 6.625 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 26.731 8.190 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.421 7.935 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.004 6.404 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.887 7.688 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 24.126 7.817 6.682 1.00 0.00 H new ATOM 563 N GLU A 38 24.338 12.793 5.670 1.00 0.00 N ATOM 564 CA GLU A 38 24.321 14.109 6.270 1.00 0.00 C ATOM 565 C GLU A 38 23.558 14.983 5.273 1.00 0.00 C ATOM 566 O GLU A 38 23.590 14.742 4.058 1.00 0.00 O ATOM 567 CB GLU A 38 25.752 14.608 6.521 1.00 0.00 C ATOM 568 CG GLU A 38 25.784 15.875 7.387 1.00 0.00 C ATOM 569 CD GLU A 38 27.226 16.280 7.742 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.880 16.997 6.950 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.720 15.901 8.829 1.00 0.00 O ATOM 0 H GLU A 38 24.430 12.830 4.655 1.00 0.00 H new ATOM 0 HA GLU A 38 23.840 14.124 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.328 13.822 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.236 14.811 5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.296 16.692 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 38 25.217 15.706 8.302 1.00 0.00 H new ATOM 578 N SER A 39 22.825 15.959 5.794 1.00 0.00 N ATOM 579 CA SER A 39 22.031 16.883 5.002 1.00 0.00 C ATOM 580 C SER A 39 22.908 17.932 4.302 1.00 0.00 C ATOM 581 O SER A 39 24.079 18.139 4.641 1.00 0.00 O ATOM 582 CB SER A 39 20.977 17.535 5.916 1.00 0.00 C ATOM 583 OG SER A 39 21.495 17.804 7.214 1.00 0.00 O ATOM 0 H SER A 39 22.766 16.132 6.798 1.00 0.00 H new ATOM 0 HA SER A 39 21.527 16.335 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.629 18.464 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 39 20.112 16.877 5.999 1.00 0.00 H new ATOM 0 HG SER A 39 20.799 18.219 7.765 1.00 0.00 H new ATOM 589 N SER A 40 22.300 18.620 3.340 1.00 0.00 N ATOM 590 CA SER A 40 22.847 19.750 2.604 1.00 0.00 C ATOM 591 C SER A 40 21.642 20.617 2.182 1.00 0.00 C ATOM 592 O SER A 40 20.658 20.666 2.927 1.00 0.00 O ATOM 593 CB SER A 40 23.763 19.229 1.478 1.00 0.00 C ATOM 594 OG SER A 40 23.281 18.054 0.842 1.00 0.00 O ATOM 0 H SER A 40 21.354 18.387 3.037 1.00 0.00 H new ATOM 0 HA SER A 40 23.505 20.396 3.186 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.884 20.012 0.730 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.751 19.028 1.891 1.00 0.00 H new ATOM 0 HG SER A 40 22.301 18.068 0.829 1.00 0.00 H new ATOM 600 N ARG A 41 21.680 21.309 1.038 1.00 0.00 N ATOM 601 CA ARG A 41 20.542 22.049 0.474 1.00 0.00 C ATOM 602 C ARG A 41 20.457 21.689 -1.005 1.00 0.00 C ATOM 603 O ARG A 41 21.474 21.300 -1.580 1.00 0.00 O ATOM 604 CB ARG A 41 20.721 23.567 0.665 1.00 0.00 C ATOM 605 CG ARG A 41 20.705 23.993 2.142 1.00 0.00 C ATOM 606 CD ARG A 41 20.828 25.516 2.270 1.00 0.00 C ATOM 607 NE ARG A 41 20.858 25.942 3.682 1.00 0.00 N ATOM 608 CZ ARG A 41 19.798 26.216 4.456 1.00 0.00 C ATOM 609 NH1 ARG A 41 18.559 26.115 3.979 1.00 0.00 N ATOM 610 NH2 ARG A 41 19.986 26.591 5.717 1.00 0.00 N ATOM 0 H ARG A 41 22.521 21.373 0.464 1.00 0.00 H new ATOM 0 HA ARG A 41 19.619 21.777 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.664 23.876 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 41 19.927 24.091 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.781 23.657 2.612 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.526 23.511 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.736 25.852 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.989 25.993 1.763 1.00 0.00 H new ATOM 0 HE ARG A 41 21.778 26.038 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.406 25.826 3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.762 26.327 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.932 26.669 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.184 26.801 6.312 1.00 0.00 H new ATOM 624 N VAL A 42 19.285 21.807 -1.634 1.00 0.00 N ATOM 625 CA VAL A 42 19.115 21.334 -3.007 1.00 0.00 C ATOM 626 C VAL A 42 20.039 22.147 -3.912 1.00 0.00 C ATOM 627 O VAL A 42 20.047 23.381 -3.860 1.00 0.00 O ATOM 628 CB VAL A 42 17.649 21.402 -3.475 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.503 20.681 -4.826 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.708 20.765 -2.441 1.00 0.00 C ATOM 0 H VAL A 42 18.450 22.221 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 42 19.385 20.279 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 42 17.373 22.451 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.465 20.731 -5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.141 21.163 -5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.799 19.638 -4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.680 20.827 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.980 19.719 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.796 21.296 -1.493 1.00 0.00 H new ATOM 640 N HIS A 43 20.833 21.449 -4.722 1.00 0.00 N ATOM 641 CA HIS A 43 21.767 22.075 -5.640 1.00 0.00 C ATOM 642 C HIS A 43 20.969 22.738 -6.773 1.00 0.00 C ATOM 643 O HIS A 43 20.036 22.114 -7.276 1.00 0.00 O ATOM 644 CB HIS A 43 22.720 20.989 -6.136 1.00 0.00 C ATOM 645 CG HIS A 43 24.064 21.526 -6.539 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.476 21.826 -7.814 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.111 21.803 -5.700 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.747 22.253 -7.748 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.179 22.268 -6.477 1.00 0.00 N ATOM 0 H HIS A 43 20.842 20.430 -4.756 1.00 0.00 H new ATOM 0 HA HIS A 43 22.360 22.857 -5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.853 20.244 -5.351 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.269 20.479 -6.987 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.112 21.684 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.341 22.545 -8.601 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.098 22.559 -6.145 1.00 0.00 H new ATOM 657 N PRO A 44 21.305 23.956 -7.229 1.00 0.00 N ATOM 658 CA PRO A 44 20.441 24.708 -8.137 1.00 0.00 C ATOM 659 C PRO A 44 20.395 24.099 -9.534 1.00 0.00 C ATOM 660 O PRO A 44 19.333 24.023 -10.149 1.00 0.00 O ATOM 661 CB PRO A 44 21.003 26.132 -8.131 1.00 0.00 C ATOM 662 CG PRO A 44 22.490 25.941 -7.820 1.00 0.00 C ATOM 663 CD PRO A 44 22.531 24.687 -6.944 1.00 0.00 C ATOM 0 HA PRO A 44 19.401 24.690 -7.811 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.856 26.623 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.514 26.751 -7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.074 25.810 -8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.902 26.805 -7.299 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.408 24.081 -7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.591 24.951 -5.888 1.00 0.00 H new ATOM 671 N THR A 45 21.519 23.594 -10.029 1.00 0.00 N ATOM 672 CA THR A 45 21.596 23.000 -11.353 1.00 0.00 C ATOM 673 C THR A 45 20.795 21.691 -11.441 1.00 0.00 C ATOM 674 O THR A 45 20.397 21.281 -12.534 1.00 0.00 O ATOM 675 CB THR A 45 23.087 22.813 -11.671 1.00 0.00 C ATOM 676 OG1 THR A 45 23.801 24.000 -11.357 1.00 0.00 O ATOM 677 CG2 THR A 45 23.378 22.414 -13.114 1.00 0.00 C ATOM 0 H THR A 45 22.403 23.586 -9.520 1.00 0.00 H new ATOM 0 HA THR A 45 21.139 23.651 -12.098 1.00 0.00 H new ATOM 0 HB THR A 45 23.419 21.980 -11.051 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.751 23.874 -11.560 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.454 22.303 -13.251 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.885 21.468 -13.336 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.004 23.185 -13.787 1.00 0.00 H new ATOM 685 N ALA A 46 20.478 21.067 -10.298 1.00 0.00 N ATOM 686 CA ALA A 46 19.576 19.928 -10.255 1.00 0.00 C ATOM 687 C ALA A 46 18.221 20.312 -10.831 1.00 0.00 C ATOM 688 O ALA A 46 17.627 19.532 -11.576 1.00 0.00 O ATOM 689 CB ALA A 46 19.378 19.497 -8.805 1.00 0.00 C ATOM 0 H ALA A 46 20.842 21.343 -9.386 1.00 0.00 H new ATOM 0 HA ALA A 46 20.007 19.115 -10.840 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.702 18.643 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.339 19.218 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.951 20.322 -8.235 1.00 0.00 H new ATOM 695 N ILE A 47 17.734 21.517 -10.507 1.00 0.00 N ATOM 696 CA ILE A 47 16.451 21.954 -10.981 1.00 0.00 C ATOM 697 C ILE A 47 16.502 22.011 -12.504 1.00 0.00 C ATOM 698 O ILE A 47 15.588 21.514 -13.150 1.00 0.00 O ATOM 699 CB ILE A 47 16.079 23.301 -10.333 1.00 0.00 C ATOM 700 CG1 ILE A 47 15.808 23.122 -8.828 1.00 0.00 C ATOM 701 CG2 ILE A 47 14.832 23.881 -10.995 1.00 0.00 C ATOM 702 CD1 ILE A 47 17.002 23.470 -7.948 1.00 0.00 C ATOM 0 H ILE A 47 18.222 22.192 -9.919 1.00 0.00 H new ATOM 0 HA ILE A 47 15.664 21.256 -10.696 1.00 0.00 H new ATOM 0 HB ILE A 47 16.918 23.983 -10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.962 23.748 -8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 47 15.518 22.088 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.581 24.833 -10.527 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.023 24.038 -12.057 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.000 23.187 -10.875 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.738 23.320 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.844 22.827 -8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 47 17.280 24.512 -8.107 1.00 0.00 H new ATOM 714 N ALA A 48 17.585 22.549 -13.075 1.00 0.00 N ATOM 715 CA ALA A 48 17.704 22.726 -14.509 1.00 0.00 C ATOM 716 C ALA A 48 17.617 21.399 -15.261 1.00 0.00 C ATOM 717 O ALA A 48 16.997 21.339 -16.318 1.00 0.00 O ATOM 718 CB ALA A 48 18.997 23.466 -14.854 1.00 0.00 C ATOM 0 H ALA A 48 18.397 22.871 -12.549 1.00 0.00 H new ATOM 0 HA ALA A 48 16.858 23.332 -14.834 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.068 23.589 -15.935 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.994 24.446 -14.376 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.852 22.891 -14.497 1.00 0.00 H new ATOM 724 N MET A 49 18.192 20.331 -14.708 1.00 0.00 N ATOM 725 CA MET A 49 18.115 18.996 -15.301 1.00 0.00 C ATOM 726 C MET A 49 16.674 18.500 -15.373 1.00 0.00 C ATOM 727 O MET A 49 16.192 17.983 -16.390 1.00 0.00 O ATOM 728 CB MET A 49 18.945 18.020 -14.454 1.00 0.00 C ATOM 729 CG MET A 49 20.428 18.174 -14.738 1.00 0.00 C ATOM 730 SD MET A 49 20.836 17.870 -16.480 1.00 0.00 S ATOM 731 CE MET A 49 21.706 19.399 -16.946 1.00 0.00 C ATOM 0 H MET A 49 18.723 20.367 -13.838 1.00 0.00 H new ATOM 0 HA MET A 49 18.507 19.050 -16.317 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.754 18.199 -13.396 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.636 16.996 -14.665 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.745 19.180 -14.464 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.989 17.481 -14.110 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.575 19.582 -18.013 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.297 20.237 -16.381 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.768 19.296 -16.723 1.00 0.00 H new ATOM 741 N MET A 50 15.981 18.648 -14.256 1.00 0.00 N ATOM 742 CA MET A 50 14.615 18.202 -14.134 1.00 0.00 C ATOM 743 C MET A 50 13.726 19.077 -15.003 1.00 0.00 C ATOM 744 O MET A 50 12.831 18.545 -15.649 1.00 0.00 O ATOM 745 CB MET A 50 14.237 18.173 -12.653 1.00 0.00 C ATOM 746 CG MET A 50 15.149 17.139 -11.966 1.00 0.00 C ATOM 747 SD MET A 50 14.383 16.178 -10.648 1.00 0.00 S ATOM 748 CE MET A 50 13.170 15.257 -11.590 1.00 0.00 C ATOM 0 H MET A 50 16.355 19.081 -13.412 1.00 0.00 H new ATOM 0 HA MET A 50 14.480 17.185 -14.501 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.367 19.158 -12.204 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.188 17.902 -12.530 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.522 16.450 -12.724 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.014 17.660 -11.556 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.184 15.392 -11.144 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.156 15.619 -12.618 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.430 14.199 -11.582 1.00 0.00 H new ATOM 758 N GLU A 51 14.037 20.365 -15.142 1.00 0.00 N ATOM 759 CA GLU A 51 13.361 21.260 -16.066 1.00 0.00 C ATOM 760 C GLU A 51 13.545 20.807 -17.516 1.00 0.00 C ATOM 761 O GLU A 51 12.638 21.014 -18.323 1.00 0.00 O ATOM 762 CB GLU A 51 13.867 22.696 -15.878 1.00 0.00 C ATOM 763 CG GLU A 51 13.194 23.408 -14.696 1.00 0.00 C ATOM 764 CD GLU A 51 13.558 24.904 -14.649 1.00 0.00 C ATOM 765 OE1 GLU A 51 14.754 25.254 -14.539 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.639 25.753 -14.724 1.00 0.00 O ATOM 0 H GLU A 51 14.777 20.818 -14.606 1.00 0.00 H new ATOM 0 HA GLU A 51 12.294 21.232 -15.845 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.946 22.680 -15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.686 23.264 -16.791 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.112 23.299 -14.774 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.496 22.931 -13.764 1.00 0.00 H new ATOM 773 N GLU A 52 14.662 20.149 -17.851 1.00 0.00 N ATOM 774 CA GLU A 52 14.835 19.560 -19.175 1.00 0.00 C ATOM 775 C GLU A 52 13.803 18.458 -19.402 1.00 0.00 C ATOM 776 O GLU A 52 13.258 18.340 -20.503 1.00 0.00 O ATOM 777 CB GLU A 52 16.234 18.976 -19.431 1.00 0.00 C ATOM 778 CG GLU A 52 17.397 19.934 -19.136 1.00 0.00 C ATOM 779 CD GLU A 52 18.602 19.723 -20.070 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.329 18.711 -19.932 1.00 0.00 O ATOM 781 OE2 GLU A 52 18.852 20.583 -20.944 1.00 0.00 O ATOM 0 H GLU A 52 15.454 20.014 -17.223 1.00 0.00 H new ATOM 0 HA GLU A 52 14.699 20.385 -19.874 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.356 18.081 -18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.296 18.662 -20.473 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.047 20.962 -19.231 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.717 19.800 -18.103 1.00 0.00 H new ATOM 788 N VAL A 53 13.523 17.662 -18.365 1.00 0.00 N ATOM 789 CA VAL A 53 12.526 16.590 -18.476 1.00 0.00 C ATOM 790 C VAL A 53 11.094 17.154 -18.365 1.00 0.00 C ATOM 791 O VAL A 53 10.161 16.570 -18.921 1.00 0.00 O ATOM 792 CB VAL A 53 12.846 15.477 -17.457 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.866 14.294 -17.515 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.253 14.918 -17.732 1.00 0.00 C ATOM 0 H VAL A 53 13.966 17.737 -17.449 1.00 0.00 H new ATOM 0 HA VAL A 53 12.577 16.133 -19.464 1.00 0.00 H new ATOM 0 HB VAL A 53 12.768 15.939 -16.473 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.151 13.549 -16.772 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.856 14.647 -17.306 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.895 13.846 -18.508 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.479 14.132 -17.012 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.291 14.508 -18.741 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.987 15.718 -17.638 1.00 0.00 H new ATOM 804 N GLY A 54 10.914 18.302 -17.705 1.00 0.00 N ATOM 805 CA GLY A 54 9.625 18.958 -17.496 1.00 0.00 C ATOM 806 C GLY A 54 9.162 18.864 -16.039 1.00 0.00 C ATOM 807 O GLY A 54 7.958 18.898 -15.778 1.00 0.00 O ATOM 0 H GLY A 54 11.690 18.816 -17.288 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.701 20.006 -17.785 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.877 18.502 -18.144 1.00 0.00 H new ATOM 811 N ILE A 55 10.099 18.707 -15.099 1.00 0.00 N ATOM 812 CA ILE A 55 9.854 18.559 -13.661 1.00 0.00 C ATOM 813 C ILE A 55 10.642 19.682 -12.943 1.00 0.00 C ATOM 814 O ILE A 55 11.308 20.491 -13.588 1.00 0.00 O ATOM 815 CB ILE A 55 10.223 17.109 -13.235 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.518 16.016 -14.085 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.905 16.809 -11.754 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.381 14.757 -14.185 1.00 0.00 C ATOM 0 H ILE A 55 11.092 18.678 -15.330 1.00 0.00 H new ATOM 0 HA ILE A 55 8.807 18.680 -13.382 1.00 0.00 H new ATOM 0 HB ILE A 55 11.300 17.068 -13.401 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.556 15.767 -13.638 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.315 16.402 -15.084 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.186 15.782 -11.522 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.466 17.492 -11.116 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.838 16.942 -11.577 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.864 14.008 -14.785 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.333 15.005 -14.655 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.562 14.360 -13.186 1.00 0.00 H new ATOM 830 N ASP A 56 10.566 19.767 -11.615 1.00 0.00 N ATOM 831 CA ASP A 56 11.232 20.772 -10.782 1.00 0.00 C ATOM 832 C ASP A 56 11.657 20.122 -9.464 1.00 0.00 C ATOM 833 O ASP A 56 11.064 19.122 -9.051 1.00 0.00 O ATOM 834 CB ASP A 56 10.255 21.919 -10.481 1.00 0.00 C ATOM 835 CG ASP A 56 10.774 22.835 -9.361 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.894 23.380 -9.496 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.112 22.931 -8.305 1.00 0.00 O ATOM 0 H ASP A 56 10.014 19.109 -11.065 1.00 0.00 H new ATOM 0 HA ASP A 56 12.104 21.163 -11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.095 22.506 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.288 21.506 -10.194 1.00 0.00 H new ATOM 842 N ILE A 57 12.645 20.719 -8.789 1.00 0.00 N ATOM 843 CA ILE A 57 13.038 20.356 -7.433 1.00 0.00 C ATOM 844 C ILE A 57 13.109 21.569 -6.491 1.00 0.00 C ATOM 845 O ILE A 57 13.081 21.373 -5.279 1.00 0.00 O ATOM 846 CB ILE A 57 14.357 19.557 -7.405 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.766 18.850 -8.708 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.254 18.522 -6.278 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.132 18.179 -8.559 1.00 0.00 C ATOM 0 H ILE A 57 13.200 21.480 -9.180 1.00 0.00 H new ATOM 0 HA ILE A 57 12.248 19.705 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 57 15.143 20.296 -7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.017 18.104 -8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.798 19.572 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.174 17.940 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.101 19.033 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.413 17.856 -6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.399 17.686 -9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.883 18.932 -8.318 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.089 17.440 -7.758 1.00 0.00 H new ATOM 861 N SER A 58 13.162 22.807 -6.995 1.00 0.00 N ATOM 862 CA SER A 58 13.188 24.008 -6.150 1.00 0.00 C ATOM 863 C SER A 58 12.015 24.051 -5.149 1.00 0.00 C ATOM 864 O SER A 58 12.147 24.630 -4.068 1.00 0.00 O ATOM 865 CB SER A 58 13.217 25.299 -6.991 1.00 0.00 C ATOM 866 OG SER A 58 12.143 25.411 -7.905 1.00 0.00 O ATOM 0 H SER A 58 13.188 23.005 -7.995 1.00 0.00 H new ATOM 0 HA SER A 58 14.112 23.950 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.202 26.158 -6.321 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.156 25.341 -7.542 1.00 0.00 H new ATOM 0 HG SER A 58 12.290 24.802 -8.659 1.00 0.00 H new ATOM 872 N GLY A 59 10.876 23.435 -5.493 1.00 0.00 N ATOM 873 CA GLY A 59 9.682 23.373 -4.660 1.00 0.00 C ATOM 874 C GLY A 59 9.818 22.460 -3.436 1.00 0.00 C ATOM 875 O GLY A 59 8.952 22.515 -2.559 1.00 0.00 O ATOM 0 H GLY A 59 10.763 22.954 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.435 24.380 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.846 23.026 -5.267 1.00 0.00 H new ATOM 879 N GLN A 60 10.874 21.642 -3.343 1.00 0.00 N ATOM 880 CA GLN A 60 11.160 20.762 -2.223 1.00 0.00 C ATOM 881 C GLN A 60 12.548 21.049 -1.633 1.00 0.00 C ATOM 882 O GLN A 60 13.312 21.853 -2.171 1.00 0.00 O ATOM 883 CB GLN A 60 10.949 19.298 -2.648 1.00 0.00 C ATOM 884 CG GLN A 60 11.959 18.723 -3.658 1.00 0.00 C ATOM 885 CD GLN A 60 11.870 17.195 -3.776 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.802 16.595 -3.671 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.992 16.530 -3.983 1.00 0.00 N ATOM 0 H GLN A 60 11.576 21.579 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 60 10.461 20.957 -1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.970 18.677 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.950 19.207 -3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.784 19.170 -4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.968 19.002 -3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.875 17.034 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.976 15.513 -4.057 1.00 0.00 H new ATOM 896 N THR A 61 12.866 20.403 -0.511 1.00 0.00 N ATOM 897 CA THR A 61 14.038 20.696 0.306 1.00 0.00 C ATOM 898 C THR A 61 14.851 19.429 0.593 1.00 0.00 C ATOM 899 O THR A 61 14.372 18.305 0.405 1.00 0.00 O ATOM 900 CB THR A 61 13.564 21.382 1.605 1.00 0.00 C ATOM 901 OG1 THR A 61 12.469 20.696 2.196 1.00 0.00 O ATOM 902 CG2 THR A 61 13.088 22.802 1.299 1.00 0.00 C ATOM 0 H THR A 61 12.299 19.642 -0.138 1.00 0.00 H new ATOM 0 HA THR A 61 14.706 21.367 -0.234 1.00 0.00 H new ATOM 0 HB THR A 61 14.412 21.380 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.198 21.158 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.755 23.280 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.908 23.376 0.868 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.261 22.764 0.590 1.00 0.00 H new ATOM 910 N SER A 62 16.088 19.621 1.053 1.00 0.00 N ATOM 911 CA SER A 62 16.937 18.556 1.571 1.00 0.00 C ATOM 912 C SER A 62 16.569 18.221 3.020 1.00 0.00 C ATOM 913 O SER A 62 15.971 19.041 3.723 1.00 0.00 O ATOM 914 CB SER A 62 18.397 19.001 1.463 1.00 0.00 C ATOM 915 OG SER A 62 18.772 19.124 0.104 1.00 0.00 O ATOM 0 H SER A 62 16.533 20.539 1.075 1.00 0.00 H new ATOM 0 HA SER A 62 16.789 17.649 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.533 19.955 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.043 18.278 1.962 1.00 0.00 H new ATOM 0 HG SER A 62 18.772 18.239 -0.317 1.00 0.00 H new ATOM 921 N ASP A 63 16.935 17.015 3.468 1.00 0.00 N ATOM 922 CA ASP A 63 16.601 16.499 4.798 1.00 0.00 C ATOM 923 C ASP A 63 17.592 15.387 5.186 1.00 0.00 C ATOM 924 O ASP A 63 18.060 14.680 4.287 1.00 0.00 O ATOM 925 CB ASP A 63 15.163 15.952 4.765 1.00 0.00 C ATOM 926 CG ASP A 63 14.492 16.032 6.140 1.00 0.00 C ATOM 927 OD1 ASP A 63 14.297 17.154 6.658 1.00 0.00 O ATOM 928 OD2 ASP A 63 14.112 14.978 6.684 1.00 0.00 O ATOM 0 H ASP A 63 17.480 16.361 2.907 1.00 0.00 H new ATOM 0 HA ASP A 63 16.670 17.294 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.576 16.517 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.176 14.916 4.427 1.00 0.00 H new ATOM 933 N PRO A 64 17.972 15.223 6.468 1.00 0.00 N ATOM 934 CA PRO A 64 18.911 14.184 6.884 1.00 0.00 C ATOM 935 C PRO A 64 18.200 12.837 7.080 1.00 0.00 C ATOM 936 O PRO A 64 17.043 12.787 7.503 1.00 0.00 O ATOM 937 CB PRO A 64 19.499 14.688 8.205 1.00 0.00 C ATOM 938 CG PRO A 64 18.352 15.491 8.818 1.00 0.00 C ATOM 939 CD PRO A 64 17.620 16.068 7.604 1.00 0.00 C ATOM 0 HA PRO A 64 19.680 14.010 6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.803 13.864 8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.381 15.307 8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.697 14.859 9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.721 16.279 9.474 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.542 16.071 7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.918 17.101 7.426 1.00 0.00 H new ATOM 947 N ILE A 65 18.931 11.737 6.865 1.00 0.00 N ATOM 948 CA ILE A 65 18.429 10.376 7.092 1.00 0.00 C ATOM 949 C ILE A 65 17.913 10.190 8.527 1.00 0.00 C ATOM 950 O ILE A 65 16.936 9.477 8.761 1.00 0.00 O ATOM 951 CB ILE A 65 19.514 9.357 6.700 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.881 7.958 6.657 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.768 9.398 7.598 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.790 6.951 5.964 1.00 0.00 C ATOM 0 H ILE A 65 19.893 11.766 6.527 1.00 0.00 H new ATOM 0 HA ILE A 65 17.563 10.201 6.453 1.00 0.00 H new ATOM 0 HB ILE A 65 19.886 9.628 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.672 7.621 7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.926 8.006 6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.484 8.651 7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.222 10.387 7.544 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.485 9.185 8.629 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.308 5.973 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.978 7.275 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.735 6.884 6.502 1.00 0.00 H new ATOM 966 N GLU A 66 18.548 10.880 9.479 1.00 0.00 N ATOM 967 CA GLU A 66 18.289 10.801 10.911 1.00 0.00 C ATOM 968 C GLU A 66 16.837 11.161 11.263 1.00 0.00 C ATOM 969 O GLU A 66 16.348 10.788 12.330 1.00 0.00 O ATOM 970 CB GLU A 66 19.255 11.746 11.654 1.00 0.00 C ATOM 971 CG GLU A 66 20.733 11.597 11.248 1.00 0.00 C ATOM 972 CD GLU A 66 21.661 12.354 12.215 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.868 13.576 12.041 1.00 0.00 O ATOM 974 OE2 GLU A 66 22.206 11.731 13.156 1.00 0.00 O ATOM 0 H GLU A 66 19.293 11.540 9.256 1.00 0.00 H new ATOM 0 HA GLU A 66 18.450 9.769 11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.945 12.776 11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 66 19.166 11.567 12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.003 10.541 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.874 11.975 10.236 1.00 0.00 H new ATOM 981 N ASN A 67 16.150 11.898 10.381 1.00 0.00 N ATOM 982 CA ASN A 67 14.789 12.372 10.601 1.00 0.00 C ATOM 983 C ASN A 67 13.729 11.283 10.353 1.00 0.00 C ATOM 984 O ASN A 67 12.554 11.512 10.646 1.00 0.00 O ATOM 985 CB ASN A 67 14.546 13.592 9.704 1.00 0.00 C ATOM 986 CG ASN A 67 13.254 14.339 10.027 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.827 14.445 11.176 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.633 14.921 9.020 1.00 0.00 N ATOM 0 H ASN A 67 16.536 12.183 9.481 1.00 0.00 H new ATOM 0 HA ASN A 67 14.688 12.649 11.650 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.387 14.278 9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.519 13.268 8.664 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.788 15.467 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.997 14.825 8.072 1.00 0.00 H new ATOM 995 N PHE A 68 14.101 10.100 9.843 1.00 0.00 N ATOM 996 CA PHE A 68 13.173 9.006 9.576 1.00 0.00 C ATOM 997 C PHE A 68 13.649 7.698 10.219 1.00 0.00 C ATOM 998 O PHE A 68 14.706 7.633 10.851 1.00 0.00 O ATOM 999 CB PHE A 68 13.010 8.832 8.060 1.00 0.00 C ATOM 1000 CG PHE A 68 12.350 9.996 7.351 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.951 10.018 7.199 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.130 11.044 6.829 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.329 11.101 6.552 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.508 12.114 6.164 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.108 12.152 6.037 1.00 0.00 C ATOM 0 H PHE A 68 15.068 9.879 9.604 1.00 0.00 H new ATOM 0 HA PHE A 68 12.208 9.255 10.019 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.994 8.668 7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.424 7.932 7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.354 9.202 7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.204 11.026 6.939 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.254 11.125 6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.108 12.911 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.632 12.987 5.545 1.00 0.00 H new ATOM 1015 N ASN A 69 12.853 6.645 10.017 1.00 0.00 N ATOM 1016 CA ASN A 69 13.101 5.272 10.433 1.00 0.00 C ATOM 1017 C ASN A 69 12.946 4.376 9.208 1.00 0.00 C ATOM 1018 O ASN A 69 11.922 4.410 8.522 1.00 0.00 O ATOM 1019 CB ASN A 69 12.148 4.828 11.565 1.00 0.00 C ATOM 1020 CG ASN A 69 10.706 5.343 11.489 1.00 0.00 C ATOM 1021 OD1 ASN A 69 10.147 5.775 12.493 1.00 0.00 O ATOM 1022 ND2 ASN A 69 10.072 5.339 10.328 1.00 0.00 N ATOM 0 H ASN A 69 11.963 6.740 9.527 1.00 0.00 H new ATOM 0 HA ASN A 69 14.110 5.194 10.837 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.120 3.738 11.580 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.575 5.149 12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.118 5.695 10.267 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.537 4.980 9.494 1.00 0.00 H new ATOM 1029 N ALA A 70 13.960 3.558 8.946 1.00 0.00 N ATOM 1030 CA ALA A 70 14.034 2.710 7.764 1.00 0.00 C ATOM 1031 C ALA A 70 12.917 1.679 7.688 1.00 0.00 C ATOM 1032 O ALA A 70 12.612 1.201 6.601 1.00 0.00 O ATOM 1033 CB ALA A 70 15.353 1.951 7.760 1.00 0.00 C ATOM 0 H ALA A 70 14.768 3.465 9.561 1.00 0.00 H new ATOM 0 HA ALA A 70 13.942 3.379 6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.406 1.317 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.181 2.660 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.419 1.331 8.654 1.00 0.00 H new ATOM 1039 N ASP A 71 12.329 1.309 8.827 1.00 0.00 N ATOM 1040 CA ASP A 71 11.287 0.289 8.883 1.00 0.00 C ATOM 1041 C ASP A 71 10.025 0.711 8.122 1.00 0.00 C ATOM 1042 O ASP A 71 9.234 -0.140 7.713 1.00 0.00 O ATOM 1043 CB ASP A 71 10.952 -0.022 10.346 1.00 0.00 C ATOM 1044 CG ASP A 71 9.863 -1.102 10.468 1.00 0.00 C ATOM 1045 OD1 ASP A 71 10.138 -2.284 10.161 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.740 -0.786 10.923 1.00 0.00 O ATOM 0 H ASP A 71 12.564 1.710 9.735 1.00 0.00 H new ATOM 0 HA ASP A 71 11.668 -0.608 8.395 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.853 -0.355 10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.618 0.888 10.843 1.00 0.00 H new ATOM 1051 N ASP A 72 9.838 2.018 7.897 1.00 0.00 N ATOM 1052 CA ASP A 72 8.712 2.548 7.153 1.00 0.00 C ATOM 1053 C ASP A 72 8.975 2.442 5.652 1.00 0.00 C ATOM 1054 O ASP A 72 8.037 2.479 4.861 1.00 0.00 O ATOM 1055 CB ASP A 72 8.466 4.001 7.571 1.00 0.00 C ATOM 1056 CG ASP A 72 7.193 4.591 6.949 1.00 0.00 C ATOM 1057 OD1 ASP A 72 6.110 3.973 7.054 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.246 5.726 6.424 1.00 0.00 O ATOM 0 H ASP A 72 10.478 2.737 8.235 1.00 0.00 H new ATOM 0 HA ASP A 72 7.818 1.965 7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.393 4.054 8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.323 4.608 7.279 1.00 0.00 H new ATOM 1063 N TYR A 73 10.238 2.271 5.250 1.00 0.00 N ATOM 1064 CA TYR A 73 10.676 2.199 3.880 1.00 0.00 C ATOM 1065 C TYR A 73 10.808 0.739 3.477 1.00 0.00 C ATOM 1066 O TYR A 73 11.412 -0.072 4.179 1.00 0.00 O ATOM 1067 CB TYR A 73 11.960 3.013 3.693 1.00 0.00 C ATOM 1068 CG TYR A 73 11.687 4.496 3.859 1.00 0.00 C ATOM 1069 CD1 TYR A 73 11.213 5.237 2.761 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.805 5.112 5.121 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.832 6.577 2.924 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.454 6.463 5.290 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.942 7.194 4.192 1.00 0.00 C ATOM 1074 OH TYR A 73 10.562 8.488 4.354 1.00 0.00 O ATOM 0 H TYR A 73 11.008 2.176 5.913 1.00 0.00 H new ATOM 0 HA TYR A 73 9.941 2.648 3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.708 2.693 4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.375 2.824 2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.142 4.772 1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.167 4.543 5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.455 7.138 2.081 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.574 6.940 6.252 1.00 0.00 H new ATOM 0 HH TYR A 73 10.747 8.770 5.274 1.00 0.00 H new ATOM 1084 N ASP A 74 10.211 0.404 2.336 1.00 0.00 N ATOM 1085 CA ASP A 74 10.247 -0.944 1.783 1.00 0.00 C ATOM 1086 C ASP A 74 11.457 -1.115 0.867 1.00 0.00 C ATOM 1087 O ASP A 74 11.933 -2.232 0.666 1.00 0.00 O ATOM 1088 CB ASP A 74 8.953 -1.228 1.026 1.00 0.00 C ATOM 1089 CG ASP A 74 8.757 -2.741 0.887 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.320 -3.376 1.873 1.00 0.00 O ATOM 1091 OD2 ASP A 74 8.978 -3.277 -0.217 1.00 0.00 O ATOM 0 H ASP A 74 9.685 1.067 1.766 1.00 0.00 H new ATOM 0 HA ASP A 74 10.339 -1.659 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.107 -0.789 1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.988 -0.764 0.040 1.00 0.00 H new ATOM 1096 N VAL A 75 11.995 -0.005 0.350 1.00 0.00 N ATOM 1097 CA VAL A 75 13.093 -0.030 -0.613 1.00 0.00 C ATOM 1098 C VAL A 75 14.042 1.139 -0.337 1.00 0.00 C ATOM 1099 O VAL A 75 13.585 2.262 -0.124 1.00 0.00 O ATOM 1100 CB VAL A 75 12.521 -0.098 -2.059 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.075 0.370 -2.278 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.428 0.542 -3.121 1.00 0.00 C ATOM 0 H VAL A 75 11.679 0.935 0.590 1.00 0.00 H new ATOM 0 HA VAL A 75 13.701 -0.928 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 75 12.498 -1.179 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.814 0.266 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.401 -0.238 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.982 1.415 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.959 0.454 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.578 1.595 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.391 0.032 -3.132 1.00 0.00 H new ATOM 1112 N VAL A 76 15.359 0.887 -0.364 1.00 0.00 N ATOM 1113 CA VAL A 76 16.373 1.923 -0.150 1.00 0.00 C ATOM 1114 C VAL A 76 17.386 1.894 -1.298 1.00 0.00 C ATOM 1115 O VAL A 76 18.000 0.877 -1.635 1.00 0.00 O ATOM 1116 CB VAL A 76 17.060 1.799 1.231 1.00 0.00 C ATOM 1117 CG1 VAL A 76 17.951 3.009 1.549 1.00 0.00 C ATOM 1118 CG2 VAL A 76 16.081 1.605 2.397 1.00 0.00 C ATOM 0 H VAL A 76 15.748 -0.040 -0.535 1.00 0.00 H new ATOM 0 HA VAL A 76 15.875 2.893 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 76 17.669 0.899 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 76 18.411 2.875 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.730 3.097 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.346 3.915 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 76 16.638 1.526 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.404 2.457 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.505 0.693 2.240 1.00 0.00 H new ATOM 1128 N ILE A 77 17.580 3.062 -1.889 1.00 0.00 N ATOM 1129 CA ILE A 77 18.524 3.304 -2.946 1.00 0.00 C ATOM 1130 C ILE A 77 19.567 4.229 -2.372 1.00 0.00 C ATOM 1131 O ILE A 77 19.357 5.433 -2.223 1.00 0.00 O ATOM 1132 CB ILE A 77 17.810 3.895 -4.174 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.785 2.916 -4.781 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.829 4.337 -5.231 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.345 1.539 -5.156 1.00 0.00 C ATOM 0 H ILE A 77 17.057 3.897 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 77 18.998 2.387 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 77 17.255 4.769 -3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.971 2.779 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.355 3.371 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.304 4.752 -6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.487 5.095 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.421 3.478 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.548 0.924 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.138 1.657 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.748 1.055 -4.266 1.00 0.00 H new ATOM 1147 N SER A 78 20.676 3.646 -1.963 1.00 0.00 N ATOM 1148 CA SER A 78 21.812 4.475 -1.661 1.00 0.00 C ATOM 1149 C SER A 78 22.337 4.967 -3.007 1.00 0.00 C ATOM 1150 O SER A 78 22.124 4.385 -4.075 1.00 0.00 O ATOM 1151 CB SER A 78 22.887 3.720 -0.901 1.00 0.00 C ATOM 1152 OG SER A 78 22.482 3.589 0.438 1.00 0.00 O ATOM 0 H SER A 78 20.809 2.643 -1.837 1.00 0.00 H new ATOM 0 HA SER A 78 21.523 5.301 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 78 23.046 2.738 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.836 4.253 -0.959 1.00 0.00 H new ATOM 0 HG SER A 78 22.935 4.265 0.984 1.00 0.00 H new ATOM 1158 N LEU A 79 23.015 6.092 -2.942 1.00 0.00 N ATOM 1159 CA LEU A 79 23.759 6.716 -4.006 1.00 0.00 C ATOM 1160 C LEU A 79 24.864 7.460 -3.258 1.00 0.00 C ATOM 1161 O LEU A 79 25.052 8.662 -3.409 1.00 0.00 O ATOM 1162 CB LEU A 79 22.860 7.549 -4.964 1.00 0.00 C ATOM 1163 CG LEU A 79 21.365 7.763 -4.616 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.223 8.956 -3.686 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.527 8.021 -5.872 1.00 0.00 C ATOM 0 H LEU A 79 23.062 6.632 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 79 24.195 6.023 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.316 8.534 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.902 7.076 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 79 21.004 6.854 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.171 9.105 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.785 8.772 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.611 9.848 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.484 8.167 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.894 8.914 -6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.605 7.166 -6.544 1.00 0.00 H new ATOM 1177 N CYS A 80 25.543 6.760 -2.342 1.00 0.00 N ATOM 1178 CA CYS A 80 26.743 7.269 -1.694 1.00 0.00 C ATOM 1179 C CYS A 80 27.896 7.175 -2.698 1.00 0.00 C ATOM 1180 O CYS A 80 28.730 8.076 -2.759 1.00 0.00 O ATOM 1181 CB CYS A 80 27.000 6.503 -0.396 1.00 0.00 C ATOM 1182 SG CYS A 80 25.623 6.786 0.760 1.00 0.00 S ATOM 0 H CYS A 80 25.271 5.826 -2.034 1.00 0.00 H new ATOM 0 HA CYS A 80 26.632 8.314 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.101 5.438 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.938 6.831 0.052 1.00 0.00 H new ATOM 0 HG CYS A 80 25.841 6.133 1.863 1.00 0.00 H new ATOM 1188 N GLY A 81 27.918 6.127 -3.520 1.00 0.00 N ATOM 1189 CA GLY A 81 28.772 5.980 -4.693 1.00 0.00 C ATOM 1190 C GLY A 81 30.226 5.638 -4.409 1.00 0.00 C ATOM 1191 O GLY A 81 30.765 4.755 -5.073 1.00 0.00 O ATOM 0 H GLY A 81 27.311 5.320 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.352 5.202 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.741 6.909 -5.262 1.00 0.00 H new ATOM 1195 N CYS A 82 30.856 6.258 -3.408 1.00 0.00 N ATOM 1196 CA CYS A 82 32.255 6.022 -3.028 1.00 0.00 C ATOM 1197 C CYS A 82 32.448 4.677 -2.297 1.00 0.00 C ATOM 1198 O CYS A 82 33.338 4.532 -1.457 1.00 0.00 O ATOM 1199 CB CYS A 82 32.745 7.205 -2.174 1.00 0.00 C ATOM 1200 SG CYS A 82 32.435 8.791 -3.012 1.00 0.00 S ATOM 0 H CYS A 82 30.397 6.956 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 82 32.855 5.954 -3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.239 7.195 -1.209 1.00 0.00 H new ATOM 0 HB3 CYS A 82 33.811 7.097 -1.976 1.00 0.00 H new ATOM 0 HG CYS A 82 32.858 9.767 -2.264 1.00 0.00 H new ATOM 1206 N GLY A 83 31.555 3.722 -2.557 1.00 0.00 N ATOM 1207 CA GLY A 83 31.388 2.454 -1.864 1.00 0.00 C ATOM 1208 C GLY A 83 31.057 2.596 -0.377 1.00 0.00 C ATOM 1209 O GLY A 83 31.144 1.621 0.373 1.00 0.00 O ATOM 0 H GLY A 83 30.881 3.827 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 83 30.593 1.888 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 83 32.304 1.872 -1.968 1.00 0.00 H new ATOM 1213 N VAL A 84 30.683 3.801 0.053 1.00 0.00 N ATOM 1214 CA VAL A 84 30.125 4.065 1.362 1.00 0.00 C ATOM 1215 C VAL A 84 28.731 3.422 1.355 1.00 0.00 C ATOM 1216 O VAL A 84 28.073 3.336 0.313 1.00 0.00 O ATOM 1217 CB VAL A 84 30.173 5.579 1.643 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.375 6.005 2.880 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.625 6.058 1.808 1.00 0.00 C ATOM 0 H VAL A 84 30.766 4.639 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 84 30.685 3.630 2.190 1.00 0.00 H new ATOM 0 HB VAL A 84 29.708 6.045 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.457 7.084 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.327 5.734 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 84 29.772 5.500 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.634 7.130 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.089 5.531 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 84 32.182 5.853 0.894 1.00 0.00 H new ATOM 1229 N ASN A 85 28.300 2.922 2.508 1.00 0.00 N ATOM 1230 CA ASN A 85 27.089 2.116 2.655 1.00 0.00 C ATOM 1231 C ASN A 85 26.379 2.498 3.955 1.00 0.00 C ATOM 1232 O ASN A 85 26.832 3.405 4.658 1.00 0.00 O ATOM 1233 CB ASN A 85 27.463 0.621 2.600 1.00 0.00 C ATOM 1234 CG ASN A 85 26.286 -0.237 2.150 1.00 0.00 C ATOM 1235 OD1 ASN A 85 25.473 -0.675 2.956 1.00 0.00 O ATOM 1236 ND2 ASN A 85 26.147 -0.463 0.856 1.00 0.00 N ATOM 0 H ASN A 85 28.793 3.068 3.389 1.00 0.00 H new ATOM 0 HA ASN A 85 26.394 2.309 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 85 28.299 0.480 1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.798 0.293 3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.355 -1.008 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 85 26.832 -0.092 0.197 1.00 0.00 H new ATOM 1243 N LEU A 86 25.270 1.829 4.278 1.00 0.00 N ATOM 1244 CA LEU A 86 24.373 2.181 5.369 1.00 0.00 C ATOM 1245 C LEU A 86 24.304 0.987 6.333 1.00 0.00 C ATOM 1246 O LEU A 86 23.480 0.096 6.132 1.00 0.00 O ATOM 1247 CB LEU A 86 22.973 2.562 4.834 1.00 0.00 C ATOM 1248 CG LEU A 86 22.908 3.648 3.742 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.439 3.954 3.440 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.614 4.951 4.121 1.00 0.00 C ATOM 0 H LEU A 86 24.966 1.000 3.767 1.00 0.00 H new ATOM 0 HA LEU A 86 24.751 3.056 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.504 1.660 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.368 2.894 5.677 1.00 0.00 H new ATOM 0 HG LEU A 86 23.431 3.250 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.378 4.721 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.943 3.048 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.948 4.310 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.524 5.665 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.154 5.367 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.668 4.751 4.314 1.00 0.00 H new ATOM 1262 N PRO A 87 25.162 0.927 7.368 1.00 0.00 N ATOM 1263 CA PRO A 87 25.060 -0.063 8.438 1.00 0.00 C ATOM 1264 C PRO A 87 23.673 -0.234 9.103 1.00 0.00 C ATOM 1265 O PRO A 87 23.376 -1.372 9.481 1.00 0.00 O ATOM 1266 CB PRO A 87 26.114 0.337 9.477 1.00 0.00 C ATOM 1267 CG PRO A 87 27.158 1.089 8.658 1.00 0.00 C ATOM 1268 CD PRO A 87 26.328 1.775 7.576 1.00 0.00 C ATOM 0 HA PRO A 87 25.225 -1.044 7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.688 0.966 10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.543 -0.536 9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.702 1.812 9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 87 27.897 0.412 8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 87 26.032 2.777 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.901 1.884 6.655 1.00 0.00 H new ATOM 1276 N PRO A 88 22.845 0.816 9.326 1.00 0.00 N ATOM 1277 CA PRO A 88 21.560 0.663 10.007 1.00 0.00 C ATOM 1278 C PRO A 88 20.530 -0.151 9.215 1.00 0.00 C ATOM 1279 O PRO A 88 20.772 -0.587 8.094 1.00 0.00 O ATOM 1280 CB PRO A 88 21.035 2.082 10.275 1.00 0.00 C ATOM 1281 CG PRO A 88 22.191 3.030 9.979 1.00 0.00 C ATOM 1282 CD PRO A 88 23.094 2.228 9.054 1.00 0.00 C ATOM 0 HA PRO A 88 21.713 0.097 10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.177 2.305 9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.703 2.185 11.308 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.844 3.947 9.502 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.712 3.322 10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 88 22.882 2.462 8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.141 2.475 9.229 1.00 0.00 H new ATOM 1290 N GLU A 89 19.319 -0.260 9.769 1.00 0.00 N ATOM 1291 CA GLU A 89 18.118 -0.861 9.181 1.00 0.00 C ATOM 1292 C GLU A 89 17.753 -0.352 7.774 1.00 0.00 C ATOM 1293 O GLU A 89 16.918 -0.928 7.081 1.00 0.00 O ATOM 1294 CB GLU A 89 16.930 -0.695 10.138 1.00 0.00 C ATOM 1295 CG GLU A 89 16.729 0.709 10.741 1.00 0.00 C ATOM 1296 CD GLU A 89 17.334 0.844 12.151 1.00 0.00 C ATOM 1297 OE1 GLU A 89 18.574 0.776 12.289 1.00 0.00 O ATOM 1298 OE2 GLU A 89 16.572 1.029 13.128 1.00 0.00 O ATOM 0 H GLU A 89 19.139 0.095 10.708 1.00 0.00 H new ATOM 0 HA GLU A 89 18.357 -1.916 9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.020 -0.972 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.048 -1.405 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.183 1.450 10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.663 0.932 10.785 1.00 0.00 H new ATOM 1305 N TRP A 90 18.394 0.720 7.325 1.00 0.00 N ATOM 1306 CA TRP A 90 18.381 1.244 5.961 1.00 0.00 C ATOM 1307 C TRP A 90 18.981 0.266 4.935 1.00 0.00 C ATOM 1308 O TRP A 90 19.196 0.642 3.781 1.00 0.00 O ATOM 1309 CB TRP A 90 19.111 2.589 5.941 1.00 0.00 C ATOM 1310 CG TRP A 90 18.444 3.663 6.740 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.893 4.200 7.895 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.207 4.372 6.435 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.985 5.119 8.371 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.930 5.286 7.497 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.296 4.334 5.360 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.801 6.117 7.492 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.160 5.162 5.346 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.911 6.047 6.409 1.00 0.00 C ATOM 0 H TRP A 90 18.976 1.285 7.943 1.00 0.00 H new ATOM 0 HA TRP A 90 17.342 1.381 5.660 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.123 2.446 6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 90 19.202 2.924 4.908 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.827 3.946 8.375 1.00 0.00 H new ATOM 0 HE1 TRP A 90 18.080 5.614 9.258 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.473 3.659 4.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.619 6.800 8.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.474 5.118 4.513 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.032 6.675 6.392 1.00 0.00 H new ATOM 1329 N VAL A 91 19.263 -0.974 5.336 1.00 0.00 N ATOM 1330 CA VAL A 91 19.693 -2.040 4.450 1.00 0.00 C ATOM 1331 C VAL A 91 18.911 -3.353 4.681 1.00 0.00 C ATOM 1332 O VAL A 91 19.257 -4.374 4.085 1.00 0.00 O ATOM 1333 CB VAL A 91 21.236 -2.159 4.575 1.00 0.00 C ATOM 1334 CG1 VAL A 91 21.697 -2.893 5.848 1.00 0.00 C ATOM 1335 CG2 VAL A 91 21.910 -2.805 3.358 1.00 0.00 C ATOM 0 H VAL A 91 19.195 -1.265 6.311 1.00 0.00 H new ATOM 0 HA VAL A 91 19.457 -1.803 3.413 1.00 0.00 H new ATOM 0 HB VAL A 91 21.559 -1.120 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 91 22.786 -2.938 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.340 -2.356 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.292 -3.905 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 91 22.987 -2.853 3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 91 21.519 -3.813 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 91 21.704 -2.209 2.469 1.00 0.00 H new ATOM 1345 N THR A 92 17.859 -3.371 5.515 1.00 0.00 N ATOM 1346 CA THR A 92 17.191 -4.596 5.962 1.00 0.00 C ATOM 1347 C THR A 92 15.726 -4.686 5.489 1.00 0.00 C ATOM 1348 O THR A 92 14.870 -5.246 6.179 1.00 0.00 O ATOM 1349 CB THR A 92 17.397 -4.783 7.482 1.00 0.00 C ATOM 1350 OG1 THR A 92 16.859 -3.710 8.224 1.00 0.00 O ATOM 1351 CG2 THR A 92 18.882 -4.874 7.861 1.00 0.00 C ATOM 0 H THR A 92 17.446 -2.522 5.901 1.00 0.00 H new ATOM 0 HA THR A 92 17.661 -5.452 5.477 1.00 0.00 H new ATOM 0 HB THR A 92 16.884 -5.715 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.826 -2.908 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.975 -5.005 8.939 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.336 -5.724 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 92 19.391 -3.958 7.562 1.00 0.00 H new ATOM 1359 N GLN A 93 15.433 -4.147 4.302 1.00 0.00 N ATOM 1360 CA GLN A 93 14.133 -4.227 3.627 1.00 0.00 C ATOM 1361 C GLN A 93 14.292 -4.880 2.241 1.00 0.00 C ATOM 1362 O GLN A 93 15.356 -5.421 1.931 1.00 0.00 O ATOM 1363 CB GLN A 93 13.388 -2.875 3.656 1.00 0.00 C ATOM 1364 CG GLN A 93 14.167 -1.676 3.098 1.00 0.00 C ATOM 1365 CD GLN A 93 15.206 -1.175 4.095 1.00 0.00 C ATOM 1366 OE1 GLN A 93 16.400 -1.361 3.888 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.794 -0.584 5.207 1.00 0.00 N ATOM 0 H GLN A 93 16.122 -3.622 3.763 1.00 0.00 H new ATOM 0 HA GLN A 93 13.468 -4.891 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.462 -2.979 3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.109 -2.656 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 93 14.660 -1.961 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.474 -0.870 2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.798 -0.435 5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.473 -0.278 5.903 1.00 0.00 H new ATOM 1376 N GLU A 94 13.232 -4.883 1.425 1.00 0.00 N ATOM 1377 CA GLU A 94 13.152 -5.667 0.192 1.00 0.00 C ATOM 1378 C GLU A 94 14.227 -5.356 -0.843 1.00 0.00 C ATOM 1379 O GLU A 94 14.688 -6.278 -1.521 1.00 0.00 O ATOM 1380 CB GLU A 94 11.760 -5.558 -0.451 1.00 0.00 C ATOM 1381 CG GLU A 94 10.656 -6.038 0.506 1.00 0.00 C ATOM 1382 CD GLU A 94 9.316 -6.417 -0.168 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.166 -6.364 -1.412 1.00 0.00 O ATOM 1384 OE2 GLU A 94 8.388 -6.844 0.559 1.00 0.00 O ATOM 0 H GLU A 94 12.394 -4.331 1.608 1.00 0.00 H new ATOM 0 HA GLU A 94 13.336 -6.692 0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.570 -4.523 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.733 -6.151 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.025 -6.904 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.466 -5.253 1.238 1.00 0.00 H new ATOM 1391 N ILE A 95 14.631 -4.093 -0.976 1.00 0.00 N ATOM 1392 CA ILE A 95 15.552 -3.675 -2.030 1.00 0.00 C ATOM 1393 C ILE A 95 16.625 -2.808 -1.391 1.00 0.00 C ATOM 1394 O ILE A 95 16.322 -1.931 -0.574 1.00 0.00 O ATOM 1395 CB ILE A 95 14.784 -2.903 -3.124 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.719 -3.755 -3.848 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.691 -2.196 -4.155 1.00 0.00 C ATOM 1398 CD1 ILE A 95 14.250 -4.681 -4.950 1.00 0.00 C ATOM 0 H ILE A 95 14.331 -3.337 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 95 16.017 -4.538 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 95 14.266 -2.124 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 95 13.200 -4.362 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.979 -3.085 -4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.073 -1.677 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.330 -1.475 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.311 -2.935 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.421 -5.233 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.742 -4.086 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.965 -5.383 -4.522 1.00 0.00 H new ATOM 1410 N PHE A 96 17.860 -3.032 -1.830 1.00 0.00 N ATOM 1411 CA PHE A 96 19.006 -2.208 -1.543 1.00 0.00 C ATOM 1412 C PHE A 96 19.870 -2.175 -2.799 1.00 0.00 C ATOM 1413 O PHE A 96 20.206 -3.229 -3.344 1.00 0.00 O ATOM 1414 CB PHE A 96 19.839 -2.715 -0.358 1.00 0.00 C ATOM 1415 CG PHE A 96 21.050 -1.815 -0.186 1.00 0.00 C ATOM 1416 CD1 PHE A 96 22.248 -2.091 -0.880 1.00 0.00 C ATOM 1417 CD2 PHE A 96 20.901 -0.588 0.485 1.00 0.00 C ATOM 1418 CE1 PHE A 96 23.267 -1.124 -0.948 1.00 0.00 C ATOM 1419 CE2 PHE A 96 21.942 0.353 0.462 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.119 0.093 -0.260 1.00 0.00 C ATOM 0 H PHE A 96 18.088 -3.831 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 96 18.653 -1.216 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.238 -2.716 0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.156 -3.743 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.383 -3.049 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.987 -0.370 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.159 -1.315 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.838 1.282 1.002 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.910 0.828 -0.286 1.00 0.00 H new ATOM 1430 N GLU A 97 20.249 -0.975 -3.224 1.00 0.00 N ATOM 1431 CA GLU A 97 21.263 -0.744 -4.253 1.00 0.00 C ATOM 1432 C GLU A 97 22.080 0.483 -3.841 1.00 0.00 C ATOM 1433 O GLU A 97 21.587 1.312 -3.083 1.00 0.00 O ATOM 1434 CB GLU A 97 20.622 -0.491 -5.628 1.00 0.00 C ATOM 1435 CG GLU A 97 20.197 -1.783 -6.333 1.00 0.00 C ATOM 1436 CD GLU A 97 19.530 -1.551 -7.702 1.00 0.00 C ATOM 1437 OE1 GLU A 97 18.999 -0.451 -7.966 1.00 0.00 O ATOM 1438 OE2 GLU A 97 19.462 -2.509 -8.507 1.00 0.00 O ATOM 0 H GLU A 97 19.851 -0.112 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 97 21.894 -1.629 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.751 0.153 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.329 0.046 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.073 -2.418 -6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.506 -2.327 -5.689 1.00 0.00 H new ATOM 1445 N ASP A 98 23.297 0.618 -4.377 1.00 0.00 N ATOM 1446 CA ASP A 98 24.131 1.820 -4.279 1.00 0.00 C ATOM 1447 C ASP A 98 24.475 2.317 -5.683 1.00 0.00 C ATOM 1448 O ASP A 98 25.306 1.721 -6.371 1.00 0.00 O ATOM 1449 CB ASP A 98 25.407 1.641 -3.444 1.00 0.00 C ATOM 1450 CG ASP A 98 26.200 2.963 -3.399 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.628 4.007 -3.006 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.401 2.959 -3.749 1.00 0.00 O ATOM 0 H ASP A 98 23.743 -0.130 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 98 23.539 2.562 -3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.148 1.328 -2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.024 0.852 -3.873 1.00 0.00 H new ATOM 1457 N TRP A 99 23.784 3.359 -6.150 1.00 0.00 N ATOM 1458 CA TRP A 99 23.954 3.924 -7.484 1.00 0.00 C ATOM 1459 C TRP A 99 25.199 4.811 -7.512 1.00 0.00 C ATOM 1460 O TRP A 99 25.148 5.995 -7.176 1.00 0.00 O ATOM 1461 CB TRP A 99 22.682 4.659 -7.937 1.00 0.00 C ATOM 1462 CG TRP A 99 21.408 3.861 -8.027 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.228 2.534 -7.814 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.084 4.377 -8.343 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.902 2.201 -8.011 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.136 3.309 -8.292 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.602 5.663 -8.662 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.763 3.515 -8.518 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.234 5.885 -8.879 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.326 4.817 -8.802 1.00 0.00 C ATOM 0 H TRP A 99 23.076 3.842 -5.597 1.00 0.00 H new ATOM 0 HA TRP A 99 24.109 3.121 -8.204 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.511 5.488 -7.250 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.876 5.093 -8.918 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.006 1.840 -7.532 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.536 1.251 -7.955 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.295 6.488 -8.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.064 2.693 -8.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.879 6.879 -9.106 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.274 5.001 -8.964 1.00 0.00 H new ATOM 1481 N GLN A 100 26.332 4.218 -7.893 1.00 0.00 N ATOM 1482 CA GLN A 100 27.561 4.941 -8.184 1.00 0.00 C ATOM 1483 C GLN A 100 27.286 5.874 -9.369 1.00 0.00 C ATOM 1484 O GLN A 100 26.879 5.424 -10.442 1.00 0.00 O ATOM 1485 CB GLN A 100 28.685 3.924 -8.428 1.00 0.00 C ATOM 1486 CG GLN A 100 30.077 4.562 -8.511 1.00 0.00 C ATOM 1487 CD GLN A 100 31.158 3.481 -8.426 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.679 3.013 -9.436 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.494 3.040 -7.224 1.00 0.00 N ATOM 0 H GLN A 100 26.418 3.208 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 100 27.892 5.565 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.679 3.187 -7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.484 3.387 -9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.177 5.114 -9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.205 5.280 -7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 100 31.054 3.437 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.193 2.303 -7.128 1.00 0.00 H new ATOM 1498 N LEU A 101 27.470 7.177 -9.147 1.00 0.00 N ATOM 1499 CA LEU A 101 27.071 8.267 -10.034 1.00 0.00 C ATOM 1500 C LEU A 101 28.032 9.430 -9.797 1.00 0.00 C ATOM 1501 O LEU A 101 28.533 9.581 -8.680 1.00 0.00 O ATOM 1502 CB LEU A 101 25.650 8.715 -9.635 1.00 0.00 C ATOM 1503 CG LEU A 101 24.492 7.793 -10.065 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.231 8.194 -9.296 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.241 7.829 -11.573 1.00 0.00 C ATOM 0 H LEU A 101 27.925 7.516 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 101 27.090 7.954 -11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.617 8.820 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.473 9.704 -10.057 1.00 0.00 H new ATOM 0 HG LEU A 101 24.767 6.766 -9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.404 7.549 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.409 8.089 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 101 22.981 9.231 -9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.415 7.162 -11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 101 23.989 8.845 -11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.139 7.506 -12.099 1.00 0.00 H new ATOM 1517 N GLU A 102 28.251 10.291 -10.789 1.00 0.00 N ATOM 1518 CA GLU A 102 29.198 11.397 -10.727 1.00 0.00 C ATOM 1519 C GLU A 102 28.597 12.607 -10.018 1.00 0.00 C ATOM 1520 O GLU A 102 28.260 13.597 -10.662 1.00 0.00 O ATOM 1521 CB GLU A 102 29.764 11.719 -12.124 1.00 0.00 C ATOM 1522 CG GLU A 102 30.642 10.579 -12.659 1.00 0.00 C ATOM 1523 CD GLU A 102 31.303 10.952 -13.998 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.703 10.706 -15.069 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.445 11.466 -13.995 1.00 0.00 O ATOM 0 H GLU A 102 27.760 10.235 -11.681 1.00 0.00 H new ATOM 0 HA GLU A 102 30.049 11.091 -10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.942 11.901 -12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.349 12.637 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.413 10.339 -11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.036 9.683 -12.789 1.00 0.00 H new ATOM 1532 N ASP A 103 28.444 12.468 -8.693 1.00 0.00 N ATOM 1533 CA ASP A 103 27.852 13.409 -7.734 1.00 0.00 C ATOM 1534 C ASP A 103 27.866 14.860 -8.241 1.00 0.00 C ATOM 1535 O ASP A 103 28.918 15.509 -8.187 1.00 0.00 O ATOM 1536 CB ASP A 103 28.567 13.320 -6.384 1.00 0.00 C ATOM 1537 CG ASP A 103 28.035 14.345 -5.368 1.00 0.00 C ATOM 1538 OD1 ASP A 103 26.886 14.816 -5.514 1.00 0.00 O ATOM 1539 OD2 ASP A 103 28.773 14.640 -4.402 1.00 0.00 O ATOM 0 H ASP A 103 28.760 11.619 -8.225 1.00 0.00 H new ATOM 0 HA ASP A 103 26.808 13.118 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.447 12.315 -5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.635 13.479 -6.531 1.00 0.00 H new ATOM 1544 N PRO A 104 26.740 15.338 -8.804 1.00 0.00 N ATOM 1545 CA PRO A 104 26.653 16.604 -9.516 1.00 0.00 C ATOM 1546 C PRO A 104 27.007 17.877 -8.732 1.00 0.00 C ATOM 1547 O PRO A 104 27.031 18.952 -9.325 1.00 0.00 O ATOM 1548 CB PRO A 104 25.253 16.666 -10.109 1.00 0.00 C ATOM 1549 CG PRO A 104 24.861 15.205 -10.261 1.00 0.00 C ATOM 1550 CD PRO A 104 25.595 14.503 -9.128 1.00 0.00 C ATOM 0 HA PRO A 104 27.436 16.605 -10.274 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.564 17.199 -9.454 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.247 17.184 -11.068 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.782 15.071 -10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.159 14.812 -11.233 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.946 14.380 -8.261 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.914 13.506 -9.431 1.00 0.00 H new ATOM 1558 N ASP A 105 27.318 17.794 -7.440 1.00 0.00 N ATOM 1559 CA ASP A 105 27.808 18.906 -6.625 1.00 0.00 C ATOM 1560 C ASP A 105 28.996 19.637 -7.273 1.00 0.00 C ATOM 1561 O ASP A 105 30.153 19.228 -7.153 1.00 0.00 O ATOM 1562 CB ASP A 105 28.163 18.399 -5.222 1.00 0.00 C ATOM 1563 CG ASP A 105 28.891 19.466 -4.384 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.363 20.588 -4.227 1.00 0.00 O ATOM 1565 OD2 ASP A 105 29.983 19.177 -3.844 1.00 0.00 O ATOM 0 H ASP A 105 27.234 16.924 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 105 27.008 19.642 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 105 27.252 18.094 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.793 17.514 -5.306 1.00 0.00 H new ATOM 1570 N GLY A 106 28.686 20.727 -7.974 1.00 0.00 N ATOM 1571 CA GLY A 106 29.626 21.685 -8.538 1.00 0.00 C ATOM 1572 C GLY A 106 30.115 21.297 -9.935 1.00 0.00 C ATOM 1573 O GLY A 106 31.195 21.743 -10.329 1.00 0.00 O ATOM 0 H GLY A 106 27.717 20.976 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.152 22.665 -8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.484 21.778 -7.872 1.00 0.00 H new ATOM 1577 N GLN A 107 29.375 20.458 -10.671 1.00 0.00 N ATOM 1578 CA GLN A 107 29.873 19.865 -11.914 1.00 0.00 C ATOM 1579 C GLN A 107 29.378 20.604 -13.164 1.00 0.00 C ATOM 1580 O GLN A 107 28.586 21.547 -13.093 1.00 0.00 O ATOM 1581 CB GLN A 107 29.491 18.380 -11.990 1.00 0.00 C ATOM 1582 CG GLN A 107 29.755 17.566 -10.720 1.00 0.00 C ATOM 1583 CD GLN A 107 31.209 17.295 -10.349 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.159 17.809 -10.936 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.394 16.440 -9.357 1.00 0.00 N ATOM 0 H GLN A 107 28.427 20.175 -10.424 1.00 0.00 H new ATOM 0 HA GLN A 107 30.959 19.961 -11.896 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.431 18.307 -12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.039 17.923 -12.814 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.285 18.084 -9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.250 16.606 -10.824 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.591 16.026 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.340 16.195 -9.065 1.00 0.00 H new ATOM 1594 N SER A 108 29.861 20.143 -14.318 1.00 0.00 N ATOM 1595 CA SER A 108 29.490 20.613 -15.645 1.00 0.00 C ATOM 1596 C SER A 108 28.097 20.098 -16.017 1.00 0.00 C ATOM 1597 O SER A 108 27.695 19.027 -15.555 1.00 0.00 O ATOM 1598 CB SER A 108 30.531 20.059 -16.624 1.00 0.00 C ATOM 1599 OG SER A 108 31.840 20.471 -16.257 1.00 0.00 O ATOM 0 H SER A 108 30.555 19.396 -14.350 1.00 0.00 H new ATOM 0 HA SER A 108 29.464 21.702 -15.677 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.479 18.970 -16.639 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.306 20.403 -17.634 1.00 0.00 H new ATOM 0 HG SER A 108 32.489 20.105 -16.894 1.00 0.00 H new ATOM 1605 N LEU A 109 27.380 20.796 -16.908 1.00 0.00 N ATOM 1606 CA LEU A 109 26.031 20.395 -17.324 1.00 0.00 C ATOM 1607 C LEU A 109 26.021 18.996 -17.926 1.00 0.00 C ATOM 1608 O LEU A 109 25.030 18.289 -17.791 1.00 0.00 O ATOM 1609 CB LEU A 109 25.427 21.366 -18.353 1.00 0.00 C ATOM 1610 CG LEU A 109 25.083 22.758 -17.794 1.00 0.00 C ATOM 1611 CD1 LEU A 109 24.648 23.678 -18.940 1.00 0.00 C ATOM 1612 CD2 LEU A 109 23.965 22.706 -16.744 1.00 0.00 C ATOM 0 H LEU A 109 27.716 21.648 -17.357 1.00 0.00 H new ATOM 0 HA LEU A 109 25.427 20.411 -16.417 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.129 21.484 -19.178 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.522 20.921 -18.766 1.00 0.00 H new ATOM 0 HG LEU A 109 25.980 23.142 -17.309 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.405 24.664 -18.543 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.459 23.768 -19.662 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.770 23.258 -19.431 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.760 23.713 -16.381 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.063 22.291 -17.193 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.277 22.077 -15.911 1.00 0.00 H new ATOM 1624 N GLU A 110 27.106 18.581 -18.576 1.00 0.00 N ATOM 1625 CA GLU A 110 27.180 17.261 -19.185 1.00 0.00 C ATOM 1626 C GLU A 110 27.306 16.165 -18.118 1.00 0.00 C ATOM 1627 O GLU A 110 26.738 15.087 -18.284 1.00 0.00 O ATOM 1628 CB GLU A 110 28.331 17.211 -20.192 1.00 0.00 C ATOM 1629 CG GLU A 110 28.095 18.172 -21.371 1.00 0.00 C ATOM 1630 CD GLU A 110 26.824 17.848 -22.182 1.00 0.00 C ATOM 1631 OE1 GLU A 110 26.856 16.918 -23.020 1.00 0.00 O ATOM 1632 OE2 GLU A 110 25.793 18.536 -21.997 1.00 0.00 O ATOM 0 H GLU A 110 27.948 19.145 -18.693 1.00 0.00 H new ATOM 0 HA GLU A 110 26.252 17.071 -19.724 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.264 17.470 -19.692 1.00 0.00 H new ATOM 0 HB3 GLU A 110 28.443 16.194 -20.568 1.00 0.00 H new ATOM 0 HG2 GLU A 110 28.024 19.191 -20.991 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.959 18.139 -22.035 1.00 0.00 H new ATOM 1639 N VAL A 111 27.985 16.436 -16.997 1.00 0.00 N ATOM 1640 CA VAL A 111 28.011 15.533 -15.843 1.00 0.00 C ATOM 1641 C VAL A 111 26.603 15.450 -15.256 1.00 0.00 C ATOM 1642 O VAL A 111 26.107 14.347 -15.022 1.00 0.00 O ATOM 1643 CB VAL A 111 29.040 16.011 -14.799 1.00 0.00 C ATOM 1644 CG1 VAL A 111 28.996 15.162 -13.520 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.464 15.975 -15.375 1.00 0.00 C ATOM 0 H VAL A 111 28.531 17.287 -16.866 1.00 0.00 H new ATOM 0 HA VAL A 111 28.322 14.536 -16.156 1.00 0.00 H new ATOM 0 HB VAL A 111 28.773 17.037 -14.545 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.737 15.533 -12.811 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.003 15.227 -13.074 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.217 14.123 -13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.171 16.317 -14.619 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.712 14.955 -15.669 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.521 16.628 -16.246 1.00 0.00 H new ATOM 1655 N PHE A 112 25.938 16.597 -15.080 1.00 0.00 N ATOM 1656 CA PHE A 112 24.556 16.640 -14.622 1.00 0.00 C ATOM 1657 C PHE A 112 23.665 15.799 -15.539 1.00 0.00 C ATOM 1658 O PHE A 112 22.953 14.935 -15.042 1.00 0.00 O ATOM 1659 CB PHE A 112 24.062 18.088 -14.545 1.00 0.00 C ATOM 1660 CG PHE A 112 24.271 18.767 -13.216 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.280 18.687 -12.217 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.453 19.489 -12.982 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.496 19.291 -10.968 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.667 20.091 -11.737 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.707 19.961 -10.725 1.00 0.00 C ATOM 0 H PHE A 112 26.346 17.516 -15.252 1.00 0.00 H new ATOM 0 HA PHE A 112 24.505 16.215 -13.620 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.568 18.669 -15.316 1.00 0.00 H new ATOM 0 HB3 PHE A 112 22.998 18.105 -14.780 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.356 18.162 -12.412 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.195 19.579 -13.761 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.738 19.241 -10.201 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.570 20.655 -11.557 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.900 20.380 -9.748 1.00 0.00 H new ATOM 1675 N ARG A 113 23.732 15.989 -16.860 1.00 0.00 N ATOM 1676 CA ARG A 113 22.971 15.204 -17.839 1.00 0.00 C ATOM 1677 C ARG A 113 23.290 13.719 -17.758 1.00 0.00 C ATOM 1678 O ARG A 113 22.360 12.916 -17.798 1.00 0.00 O ATOM 1679 CB ARG A 113 23.231 15.737 -19.261 1.00 0.00 C ATOM 1680 CG ARG A 113 22.432 17.024 -19.482 1.00 0.00 C ATOM 1681 CD ARG A 113 22.993 17.935 -20.562 1.00 0.00 C ATOM 1682 NE ARG A 113 22.025 18.966 -20.961 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.322 20.017 -21.732 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.551 20.181 -22.220 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.375 20.905 -22.007 1.00 0.00 N ATOM 0 H ARG A 113 24.324 16.702 -17.286 1.00 0.00 H new ATOM 0 HA ARG A 113 21.913 15.317 -17.600 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.295 15.929 -19.399 1.00 0.00 H new ATOM 0 HB3 ARG A 113 22.944 14.988 -19.999 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.407 16.760 -19.743 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.390 17.577 -18.543 1.00 0.00 H new ATOM 0 HD2 ARG A 113 23.903 18.412 -20.199 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.270 17.340 -21.432 1.00 0.00 H new ATOM 0 HE ARG A 113 21.065 18.874 -20.628 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.280 19.500 -22.007 1.00 0.00 H new ATOM 0 HH12 ARG A 113 23.763 20.988 -22.807 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.435 20.781 -21.631 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.587 21.712 -22.594 1.00 0.00 H new ATOM 1699 N THR A 114 24.560 13.337 -17.625 1.00 0.00 N ATOM 1700 CA THR A 114 24.958 11.948 -17.535 1.00 0.00 C ATOM 1701 C THR A 114 24.307 11.318 -16.301 1.00 0.00 C ATOM 1702 O THR A 114 23.640 10.286 -16.410 1.00 0.00 O ATOM 1703 CB THR A 114 26.495 11.906 -17.503 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.028 12.455 -18.693 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.012 10.482 -17.362 1.00 0.00 C ATOM 0 H THR A 114 25.340 13.993 -17.577 1.00 0.00 H new ATOM 0 HA THR A 114 24.623 11.364 -18.392 1.00 0.00 H new ATOM 0 HB THR A 114 26.813 12.490 -16.639 1.00 0.00 H new ATOM 0 HG1 THR A 114 26.788 13.403 -18.752 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.102 10.491 -17.343 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.636 10.049 -16.435 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.669 9.885 -18.207 1.00 0.00 H new ATOM 1713 N VAL A 115 24.447 11.955 -15.136 1.00 0.00 N ATOM 1714 CA VAL A 115 23.856 11.461 -13.906 1.00 0.00 C ATOM 1715 C VAL A 115 22.340 11.463 -14.019 1.00 0.00 C ATOM 1716 O VAL A 115 21.740 10.449 -13.687 1.00 0.00 O ATOM 1717 CB VAL A 115 24.379 12.258 -12.705 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.617 11.979 -11.399 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.861 11.932 -12.491 1.00 0.00 C ATOM 0 H VAL A 115 24.972 12.823 -15.027 1.00 0.00 H new ATOM 0 HA VAL A 115 24.155 10.426 -13.740 1.00 0.00 H new ATOM 0 HB VAL A 115 24.229 13.311 -12.942 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.043 12.578 -10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.566 12.239 -11.528 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.701 10.922 -11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.238 12.496 -11.638 1.00 0.00 H new ATOM 0 HG22 VAL A 115 25.975 10.865 -12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.426 12.203 -13.383 1.00 0.00 H new ATOM 1729 N ARG A 116 21.713 12.528 -14.527 1.00 0.00 N ATOM 1730 CA ARG A 116 20.264 12.594 -14.668 1.00 0.00 C ATOM 1731 C ARG A 116 19.782 11.408 -15.489 1.00 0.00 C ATOM 1732 O ARG A 116 18.828 10.747 -15.090 1.00 0.00 O ATOM 1733 CB ARG A 116 19.831 13.916 -15.330 1.00 0.00 C ATOM 1734 CG ARG A 116 18.299 14.043 -15.241 1.00 0.00 C ATOM 1735 CD ARG A 116 17.561 14.799 -16.353 1.00 0.00 C ATOM 1736 NE ARG A 116 18.023 14.434 -17.710 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.499 15.284 -18.634 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.442 16.593 -18.429 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.036 14.822 -19.758 1.00 0.00 N ATOM 0 H ARG A 116 22.199 13.365 -14.850 1.00 0.00 H new ATOM 0 HA ARG A 116 19.814 12.557 -13.676 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.308 14.760 -14.832 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.151 13.938 -16.372 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.885 13.036 -15.194 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.061 14.530 -14.295 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.493 14.598 -16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.695 15.871 -16.206 1.00 0.00 H new ATOM 0 HE ARG A 116 17.976 13.448 -17.967 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.036 16.957 -17.567 1.00 0.00 H new ATOM 0 HH12 ARG A 116 18.805 17.236 -19.133 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.088 13.817 -19.923 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.396 15.473 -20.456 1.00 0.00 H new ATOM 1753 N GLY A 117 20.435 11.134 -16.617 1.00 0.00 N ATOM 1754 CA GLY A 117 20.043 10.048 -17.491 1.00 0.00 C ATOM 1755 C GLY A 117 20.131 8.721 -16.759 1.00 0.00 C ATOM 1756 O GLY A 117 19.143 7.989 -16.755 1.00 0.00 O ATOM 0 H GLY A 117 21.246 11.660 -16.943 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.025 10.208 -17.846 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.688 10.029 -18.370 1.00 0.00 H new ATOM 1760 N GLN A 118 21.253 8.441 -16.081 1.00 0.00 N ATOM 1761 CA GLN A 118 21.409 7.217 -15.313 1.00 0.00 C ATOM 1762 C GLN A 118 20.342 7.131 -14.228 1.00 0.00 C ATOM 1763 O GLN A 118 19.582 6.175 -14.196 1.00 0.00 O ATOM 1764 CB GLN A 118 22.803 7.119 -14.679 1.00 0.00 C ATOM 1765 CG GLN A 118 23.931 6.803 -15.671 1.00 0.00 C ATOM 1766 CD GLN A 118 25.137 6.176 -14.964 1.00 0.00 C ATOM 1767 OE1 GLN A 118 24.999 5.217 -14.204 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.336 6.691 -15.183 1.00 0.00 N ATOM 0 H GLN A 118 22.066 9.056 -16.055 1.00 0.00 H new ATOM 0 HA GLN A 118 21.292 6.382 -16.003 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.029 8.061 -14.180 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.785 6.347 -13.910 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.563 6.122 -16.438 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.239 7.718 -16.178 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.442 7.485 -15.814 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.154 6.294 -14.721 1.00 0.00 H new ATOM 1777 N VAL A 119 20.271 8.133 -13.357 1.00 0.00 N ATOM 1778 CA VAL A 119 19.290 8.267 -12.286 1.00 0.00 C ATOM 1779 C VAL A 119 17.886 7.974 -12.808 1.00 0.00 C ATOM 1780 O VAL A 119 17.200 7.147 -12.215 1.00 0.00 O ATOM 1781 CB VAL A 119 19.391 9.670 -11.640 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.237 9.953 -10.679 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.677 9.804 -10.811 1.00 0.00 C ATOM 0 H VAL A 119 20.929 8.912 -13.381 1.00 0.00 H new ATOM 0 HA VAL A 119 19.505 7.533 -11.509 1.00 0.00 H new ATOM 0 HB VAL A 119 19.372 10.373 -12.473 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.355 10.949 -10.253 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.292 9.899 -11.219 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.240 9.213 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.723 10.799 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.679 9.054 -10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.543 9.654 -11.456 1.00 0.00 H new ATOM 1793 N LYS A 120 17.448 8.602 -13.902 1.00 0.00 N ATOM 1794 CA LYS A 120 16.085 8.433 -14.380 1.00 0.00 C ATOM 1795 C LYS A 120 15.847 6.984 -14.790 1.00 0.00 C ATOM 1796 O LYS A 120 14.880 6.367 -14.353 1.00 0.00 O ATOM 1797 CB LYS A 120 15.838 9.431 -15.522 1.00 0.00 C ATOM 1798 CG LYS A 120 14.478 9.220 -16.194 1.00 0.00 C ATOM 1799 CD LYS A 120 14.229 10.277 -17.278 1.00 0.00 C ATOM 1800 CE LYS A 120 12.921 9.989 -18.027 1.00 0.00 C ATOM 1801 NZ LYS A 120 12.993 8.791 -18.903 1.00 0.00 N ATOM 0 H LYS A 120 18.020 9.229 -14.468 1.00 0.00 H new ATOM 0 HA LYS A 120 15.367 8.647 -13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 120 15.894 10.447 -15.132 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.628 9.331 -16.266 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.438 8.224 -16.636 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.687 9.269 -15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.183 11.267 -16.824 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.062 10.287 -17.981 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.119 9.852 -17.302 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.659 10.857 -18.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.108 8.702 -19.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.792 8.890 -19.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.129 7.941 -18.319 1.00 0.00 H new ATOM 1815 N GLU A 121 16.757 6.431 -15.582 1.00 0.00 N ATOM 1816 CA GLU A 121 16.748 5.035 -15.995 1.00 0.00 C ATOM 1817 C GLU A 121 16.718 4.099 -14.781 1.00 0.00 C ATOM 1818 O GLU A 121 16.035 3.074 -14.786 1.00 0.00 O ATOM 1819 CB GLU A 121 17.989 4.808 -16.886 1.00 0.00 C ATOM 1820 CG GLU A 121 18.835 3.563 -16.609 1.00 0.00 C ATOM 1821 CD GLU A 121 19.884 3.330 -17.712 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.556 2.698 -18.742 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.051 3.753 -17.554 1.00 0.00 O ATOM 0 H GLU A 121 17.543 6.956 -15.965 1.00 0.00 H new ATOM 0 HA GLU A 121 15.847 4.805 -16.564 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.656 4.765 -17.923 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.634 5.682 -16.794 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.336 3.670 -15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.185 2.691 -16.534 1.00 0.00 H new ATOM 1830 N ARG A 122 17.474 4.430 -13.738 1.00 0.00 N ATOM 1831 CA ARG A 122 17.604 3.605 -12.549 1.00 0.00 C ATOM 1832 C ARG A 122 16.318 3.679 -11.719 1.00 0.00 C ATOM 1833 O ARG A 122 15.838 2.629 -11.303 1.00 0.00 O ATOM 1834 CB ARG A 122 18.857 4.015 -11.768 1.00 0.00 C ATOM 1835 CG ARG A 122 20.195 3.639 -12.432 1.00 0.00 C ATOM 1836 CD ARG A 122 21.330 4.429 -11.763 1.00 0.00 C ATOM 1837 NE ARG A 122 22.663 4.099 -12.302 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.501 3.161 -11.847 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.137 2.323 -10.876 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.713 3.080 -12.382 1.00 0.00 N ATOM 0 H ARG A 122 18.019 5.291 -13.698 1.00 0.00 H new ATOM 0 HA ARG A 122 17.735 2.559 -12.825 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.835 5.094 -11.617 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.817 3.555 -10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.375 2.568 -12.335 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.161 3.861 -13.499 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.147 5.496 -11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.319 4.231 -10.691 1.00 0.00 H new ATOM 0 HE ARG A 122 22.978 4.643 -13.105 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.205 2.391 -10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.790 1.614 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.987 3.725 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.370 2.373 -12.052 1.00 0.00 H new ATOM 1854 N VAL A 123 15.705 4.854 -11.521 1.00 0.00 N ATOM 1855 CA VAL A 123 14.374 4.988 -10.943 1.00 0.00 C ATOM 1856 C VAL A 123 13.393 4.125 -11.751 1.00 0.00 C ATOM 1857 O VAL A 123 12.635 3.362 -11.154 1.00 0.00 O ATOM 1858 CB VAL A 123 13.964 6.476 -10.915 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.511 6.651 -10.466 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.828 7.305 -9.954 1.00 0.00 C ATOM 0 H VAL A 123 16.132 5.748 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 123 14.364 4.634 -9.912 1.00 0.00 H new ATOM 0 HB VAL A 123 14.101 6.827 -11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.258 7.711 -10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.851 6.125 -11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.388 6.241 -9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.498 8.344 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.729 6.910 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.872 7.250 -10.264 1.00 0.00 H new ATOM 1870 N GLU A 124 13.420 4.189 -13.090 1.00 0.00 N ATOM 1871 CA GLU A 124 12.515 3.399 -13.921 1.00 0.00 C ATOM 1872 C GLU A 124 12.733 1.903 -13.692 1.00 0.00 C ATOM 1873 O GLU A 124 11.769 1.144 -13.608 1.00 0.00 O ATOM 1874 CB GLU A 124 12.665 3.727 -15.420 1.00 0.00 C ATOM 1875 CG GLU A 124 12.072 5.083 -15.819 1.00 0.00 C ATOM 1876 CD GLU A 124 12.173 5.345 -17.332 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.500 4.645 -18.124 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.896 6.282 -17.741 1.00 0.00 O ATOM 0 H GLU A 124 14.062 4.782 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 124 11.501 3.664 -13.622 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.723 3.713 -15.681 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.182 2.944 -16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.026 5.123 -15.515 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.591 5.876 -15.280 1.00 0.00 H new ATOM 1885 N ASN A 125 13.989 1.479 -13.543 1.00 0.00 N ATOM 1886 CA ASN A 125 14.333 0.098 -13.240 1.00 0.00 C ATOM 1887 C ASN A 125 13.780 -0.297 -11.883 1.00 0.00 C ATOM 1888 O ASN A 125 13.164 -1.352 -11.769 1.00 0.00 O ATOM 1889 CB ASN A 125 15.849 -0.156 -13.280 1.00 0.00 C ATOM 1890 CG ASN A 125 16.309 -0.585 -14.664 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.485 -1.769 -14.939 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.495 0.359 -15.567 1.00 0.00 N ATOM 0 H ASN A 125 14.799 2.093 -13.631 1.00 0.00 H new ATOM 0 HA ASN A 125 13.880 -0.518 -14.017 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.378 0.750 -12.985 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.108 -0.927 -12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 125 16.790 0.110 -16.511 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.344 1.337 -15.321 1.00 0.00 H new ATOM 1899 N LEU A 126 13.977 0.534 -10.857 1.00 0.00 N ATOM 1900 CA LEU A 126 13.509 0.229 -9.510 1.00 0.00 C ATOM 1901 C LEU A 126 11.990 0.074 -9.515 1.00 0.00 C ATOM 1902 O LEU A 126 11.495 -0.907 -8.978 1.00 0.00 O ATOM 1903 CB LEU A 126 14.109 1.167 -8.433 1.00 0.00 C ATOM 1904 CG LEU A 126 13.152 2.241 -7.888 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.245 1.696 -6.781 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.887 3.444 -7.302 1.00 0.00 C ATOM 0 H LEU A 126 14.461 1.428 -10.938 1.00 0.00 H new ATOM 0 HA LEU A 126 13.898 -0.739 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.458 0.558 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.984 1.663 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 126 12.564 2.547 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.587 2.489 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.645 0.875 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.857 1.336 -5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.162 4.169 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.523 3.117 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.502 3.906 -8.074 1.00 0.00 H new ATOM 1918 N ILE A 127 11.262 0.965 -10.188 1.00 0.00 N ATOM 1919 CA ILE A 127 9.823 0.871 -10.390 1.00 0.00 C ATOM 1920 C ILE A 127 9.464 -0.407 -11.161 1.00 0.00 C ATOM 1921 O ILE A 127 8.447 -1.025 -10.851 1.00 0.00 O ATOM 1922 CB ILE A 127 9.365 2.149 -11.125 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.445 3.383 -10.198 1.00 0.00 C ATOM 1924 CG2 ILE A 127 7.942 1.991 -11.674 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.395 4.707 -10.970 1.00 0.00 C ATOM 0 H ILE A 127 11.672 1.794 -10.618 1.00 0.00 H new ATOM 0 HA ILE A 127 9.302 0.803 -9.435 1.00 0.00 H new ATOM 0 HB ILE A 127 10.043 2.304 -11.965 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.621 3.351 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.368 3.339 -9.620 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.646 2.906 -12.187 1.00 0.00 H new ATOM 0 HG22 ILE A 127 7.913 1.157 -12.375 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.254 1.797 -10.851 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.455 5.539 -10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.234 4.756 -11.664 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.460 4.768 -11.527 1.00 0.00 H new ATOM 1937 N ALA A 128 10.247 -0.838 -12.149 1.00 0.00 N ATOM 1938 CA ALA A 128 9.898 -1.998 -12.970 1.00 0.00 C ATOM 1939 C ALA A 128 9.838 -3.278 -12.126 1.00 0.00 C ATOM 1940 O ALA A 128 9.039 -4.174 -12.400 1.00 0.00 O ATOM 1941 CB ALA A 128 10.885 -2.154 -14.132 1.00 0.00 C ATOM 0 H ALA A 128 11.132 -0.399 -12.402 1.00 0.00 H new ATOM 0 HA ALA A 128 8.905 -1.829 -13.386 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.608 -3.022 -14.730 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.858 -1.260 -14.755 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.892 -2.291 -13.738 1.00 0.00 H new ATOM 1947 N LYS A 129 10.662 -3.347 -11.077 1.00 0.00 N ATOM 1948 CA LYS A 129 10.711 -4.449 -10.122 1.00 0.00 C ATOM 1949 C LYS A 129 9.438 -4.567 -9.269 1.00 0.00 C ATOM 1950 O LYS A 129 9.191 -5.641 -8.719 1.00 0.00 O ATOM 1951 CB LYS A 129 11.894 -4.224 -9.174 1.00 0.00 C ATOM 1952 CG LYS A 129 13.268 -4.199 -9.861 1.00 0.00 C ATOM 1953 CD LYS A 129 14.344 -3.786 -8.850 1.00 0.00 C ATOM 1954 CE LYS A 129 15.620 -3.274 -9.539 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.723 -3.094 -8.561 1.00 0.00 N ATOM 0 H LYS A 129 11.335 -2.610 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 129 10.811 -5.368 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.748 -3.280 -8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.894 -5.011 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.498 -5.183 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.254 -3.501 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.948 -3.008 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.592 -4.638 -8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.927 -3.979 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.413 -2.326 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.605 -2.880 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.493 -2.309 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.844 -3.968 -8.010 1.00 0.00 H new ATOM 1969 N ILE A 130 8.638 -3.500 -9.151 1.00 0.00 N ATOM 1970 CA ILE A 130 7.549 -3.367 -8.195 1.00 0.00 C ATOM 1971 C ILE A 130 6.183 -2.978 -8.769 1.00 0.00 C ATOM 1972 O ILE A 130 5.162 -3.215 -8.119 1.00 0.00 O ATOM 1973 CB ILE A 130 8.006 -2.348 -7.130 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.495 -0.998 -7.688 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.069 -3.027 -6.245 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.221 -0.094 -6.688 1.00 0.00 C ATOM 0 H ILE A 130 8.742 -2.678 -9.745 1.00 0.00 H new ATOM 0 HA ILE A 130 7.365 -4.359 -7.783 1.00 0.00 H new ATOM 0 HB ILE A 130 7.131 -2.072 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.163 -1.192 -8.527 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.636 -0.456 -8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.409 -2.326 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.636 -3.904 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.915 -3.331 -6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.522 0.829 -7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.554 0.141 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.105 -0.607 -6.309 1.00 0.00 H new ATOM 1988 N SER A 131 6.173 -2.389 -9.960 1.00 0.00 N ATOM 1989 CA SER A 131 4.990 -2.037 -10.743 1.00 0.00 C ATOM 1990 C SER A 131 3.953 -3.166 -10.715 1.00 0.00 C ATOM 1991 O SER A 131 2.775 -2.885 -10.411 1.00 0.00 O ATOM 1992 CB SER A 131 5.387 -1.720 -12.186 1.00 0.00 C ATOM 1993 OG SER A 131 6.192 -0.562 -12.225 1.00 0.00 O ATOM 1994 OXT SER A 131 4.307 -4.326 -11.019 1.00 0.00 O ATOM 0 H SER A 131 7.038 -2.129 -10.433 1.00 0.00 H new ATOM 0 HA SER A 131 4.539 -1.152 -10.295 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.928 -2.563 -12.616 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.494 -1.572 -12.793 1.00 0.00 H new ATOM 0 HG SER A 131 6.981 -0.693 -11.658 1.00 0.00 H new TER 2000 SER A 131