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 29 LYS NZ :NH3+ 148:sc= 1.25 (180deg=-0.0987) USER MOD Set 1.2: A 131 SER OG : rot 88:sc= 2.27 USER MOD Set 2.1: A 125 ASN : amide:sc= 0.856 K(o=1.8,f=-2.5) USER MOD Set 2.2: A 129 LYS NZ :NH3+ 148:sc= 0.904 (180deg=0) USER MOD Set 3.1: A 78 SER OG : rot -76:sc= 1.66 USER MOD Set 3.2: A 80 CYS SG : rot 79:sc= 0.507 USER MOD Set 4.1: A 12 SER OG : rot 175:sc= 1.16 USER MOD Set 4.2: A 40 SER OG : rot 130:sc= 1.25 USER MOD Set 5.1: A 11 ASN : amide:sc= 1.96 K(o=9.5,f=-4.3) USER MOD Set 5.2: A 16 GLN : amide:sc= 1.69 K(o=9.5,f=-4.1) USER MOD Set 5.3: A 23 LYS NZ :NH3+ 173:sc= 2.11 (180deg=1.18) USER MOD Set 5.4: A 34 SER OG : rot -88:sc= 1.28 USER MOD Set 5.5: A 60 GLN : amide:sc= 1.44 K(o=9.5,f=0.32!) USER MOD Set 5.6: A 62 SER OG : rot -69:sc= 0.999 USER MOD Set 6.1: A 5 MET CE :methyl -153:sc= -0.154 (180deg=-1.43) USER MOD Set 6.2: A 33 THR OG1 : rot 162:sc= 0.714 USER MOD Set 6.3: A 35 CYS SG : rot -92:sc= 0.755 USER MOD Set 6.4: A 73 TYR OH : rot -162:sc= 1.46 USER MOD Set 7.1: A 8 CYS SG : rot 110:sc= 0.362 USER MOD Set 7.2: A 15 SER OG : rot 99:sc= 1.36 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0294 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.07) USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.02) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot -50:sc= -0.356 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0822 USER MOD Single : A 43 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 49 MET CE :methyl -108:sc= -0.509 (180deg=-1.73) USER MOD Single : A 50 MET CE :methyl -130:sc= -4.19 (180deg=-13.4!) USER MOD Single : A 58 SER OG : rot -88:sc= 1.25 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.04 K(o=1,f=-0.53) USER MOD Single : A 69 ASN : amide:sc= 0.988 K(o=0.99,f=-0.028) USER MOD Single : A 82 CYS SG : rot 9:sc=-0.00835 USER MOD Single : A 85 ASN : amide:sc= 0.558 K(o=0.56,f=-3.6!) USER MOD Single : A 92 THR OG1 : rot 0:sc= 0.149 USER MOD Single : A 93 GLN : amide:sc= 0.939 K(o=0.94,f=-0.061) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.804 K(o=0.8,f=-1.2) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.045 -0.385 -2.934 1.00 0.00 N ATOM 2 CA MET A 1 2.053 0.703 -3.007 1.00 0.00 C ATOM 3 C MET A 1 3.345 0.284 -2.301 1.00 0.00 C ATOM 4 O MET A 1 3.307 -0.424 -1.292 1.00 0.00 O ATOM 5 CB MET A 1 1.495 2.027 -2.436 1.00 0.00 C ATOM 6 CG MET A 1 2.514 3.179 -2.390 1.00 0.00 C ATOM 7 SD MET A 1 1.812 4.817 -2.047 1.00 0.00 S ATOM 8 CE MET A 1 1.111 5.238 -3.669 1.00 0.00 C ATOM 0 H1 MET A 1 0.114 0.019 -2.709 1.00 0.00 H new ATOM 0 H2 MET A 1 0.997 -0.876 -3.849 1.00 0.00 H new ATOM 0 H3 MET A 1 1.317 -1.061 -2.192 1.00 0.00 H new ATOM 0 HA MET A 1 2.286 0.882 -4.057 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.641 2.337 -3.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.124 1.846 -1.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.259 2.954 -1.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.038 3.218 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.642 6.221 -3.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.905 5.252 -4.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.365 4.494 -3.947 1.00 0.00 H new ATOM 18 N LYS A 2 4.496 0.749 -2.805 1.00 0.00 N ATOM 19 CA LYS A 2 5.797 0.609 -2.142 1.00 0.00 C ATOM 20 C LYS A 2 6.325 1.991 -1.779 1.00 0.00 C ATOM 21 O LYS A 2 6.123 2.948 -2.527 1.00 0.00 O ATOM 22 CB LYS A 2 6.803 -0.121 -3.058 1.00 0.00 C ATOM 23 CG LYS A 2 6.846 -1.632 -2.820 1.00 0.00 C ATOM 24 CD LYS A 2 5.696 -2.433 -3.434 1.00 0.00 C ATOM 25 CE LYS A 2 5.938 -3.946 -3.283 1.00 0.00 C ATOM 26 NZ LYS A 2 6.037 -4.397 -1.867 1.00 0.00 N ATOM 0 H LYS A 2 4.549 1.240 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 2 5.672 0.015 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.542 0.069 -4.099 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.798 0.294 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.785 -2.017 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.856 -1.812 -1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.758 -2.161 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.595 -2.180 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.126 -4.486 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.857 -4.212 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.115 -5.434 -1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.878 -3.974 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.187 -4.099 -1.347 1.00 0.00 H new ATOM 40 N LYS A 3 7.028 2.086 -0.652 1.00 0.00 N ATOM 41 CA LYS A 3 7.731 3.298 -0.250 1.00 0.00 C ATOM 42 C LYS A 3 9.182 3.168 -0.657 1.00 0.00 C ATOM 43 O LYS A 3 9.857 2.264 -0.164 1.00 0.00 O ATOM 44 CB LYS A 3 7.570 3.529 1.264 1.00 0.00 C ATOM 45 CG LYS A 3 6.358 4.447 1.464 1.00 0.00 C ATOM 46 CD LYS A 3 6.039 4.658 2.941 1.00 0.00 C ATOM 47 CE LYS A 3 5.014 5.782 3.106 1.00 0.00 C ATOM 48 NZ LYS A 3 4.668 5.992 4.530 1.00 0.00 N ATOM 0 H LYS A 3 7.125 1.317 0.011 1.00 0.00 H new ATOM 0 HA LYS A 3 7.308 4.170 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.423 2.582 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.469 3.984 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.552 5.411 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.491 4.017 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.650 3.735 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.950 4.905 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.414 6.705 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.113 5.540 2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.107 6.862 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.114 5.183 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.540 6.079 5.090 1.00 0.00 H new ATOM 62 N VAL A 4 9.660 4.058 -1.520 1.00 0.00 N ATOM 63 CA VAL A 4 11.062 4.138 -1.885 1.00 0.00 C ATOM 64 C VAL A 4 11.747 5.279 -1.145 1.00 0.00 C ATOM 65 O VAL A 4 11.202 6.379 -1.028 1.00 0.00 O ATOM 66 CB VAL A 4 11.196 4.231 -3.420 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.520 5.440 -4.069 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.666 4.206 -3.874 1.00 0.00 C ATOM 0 H VAL A 4 9.075 4.750 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 4 11.579 3.230 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 4 10.665 3.343 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.675 5.408 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.451 5.418 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.951 6.357 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.712 4.274 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.197 5.051 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.132 3.276 -3.548 1.00 0.00 H new ATOM 78 N MET A 5 12.963 5.009 -0.677 1.00 0.00 N ATOM 79 CA MET A 5 13.856 6.036 -0.146 1.00 0.00 C ATOM 80 C MET A 5 15.086 6.105 -1.043 1.00 0.00 C ATOM 81 O MET A 5 15.573 5.063 -1.472 1.00 0.00 O ATOM 82 CB MET A 5 14.258 5.743 1.307 1.00 0.00 C ATOM 83 CG MET A 5 15.224 6.799 1.865 1.00 0.00 C ATOM 84 SD MET A 5 14.567 8.487 1.969 1.00 0.00 S ATOM 85 CE MET A 5 13.946 8.469 3.670 1.00 0.00 C ATOM 0 H MET A 5 13.358 4.069 -0.655 1.00 0.00 H new ATOM 0 HA MET A 5 13.339 6.995 -0.139 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.364 5.706 1.929 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.726 4.760 1.362 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.537 6.488 2.862 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.117 6.814 1.241 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.125 9.179 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.591 7.469 3.917 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.748 8.748 4.353 1.00 0.00 H new ATOM 95 N PHE A 6 15.624 7.305 -1.252 1.00 0.00 N ATOM 96 CA PHE A 6 16.915 7.552 -1.896 1.00 0.00 C ATOM 97 C PHE A 6 17.847 8.197 -0.865 1.00 0.00 C ATOM 98 O PHE A 6 17.399 9.024 -0.071 1.00 0.00 O ATOM 99 CB PHE A 6 16.759 8.432 -3.135 1.00 0.00 C ATOM 100 CG PHE A 6 15.892 7.806 -4.205 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.463 6.912 -5.133 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.514 8.086 -4.248 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.678 6.317 -6.137 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.727 7.446 -5.224 1.00 0.00 C ATOM 105 CZ PHE A 6 14.301 6.583 -6.169 1.00 0.00 C ATOM 0 H PHE A 6 15.156 8.165 -0.967 1.00 0.00 H new ATOM 0 HA PHE A 6 17.342 6.610 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.328 9.389 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.745 8.641 -3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.516 6.681 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.069 8.777 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.128 5.666 -6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.662 7.623 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.681 6.122 -6.924 1.00 0.00 H new ATOM 115 N VAL A 7 19.127 7.834 -0.841 1.00 0.00 N ATOM 116 CA VAL A 7 20.063 8.227 0.203 1.00 0.00 C ATOM 117 C VAL A 7 21.438 8.393 -0.440 1.00 0.00 C ATOM 118 O VAL A 7 21.913 7.470 -1.099 1.00 0.00 O ATOM 119 CB VAL A 7 20.157 7.112 1.276 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.876 7.637 2.525 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.821 6.483 1.702 1.00 0.00 C ATOM 0 H VAL A 7 19.548 7.247 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 7 19.728 9.152 0.672 1.00 0.00 H new ATOM 0 HB VAL A 7 20.720 6.316 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.935 6.844 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.882 7.959 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.322 8.481 2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.004 5.716 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.172 7.254 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.338 6.032 0.835 1.00 0.00 H new ATOM 131 N CYS A 8 22.130 9.510 -0.212 1.00 0.00 N ATOM 132 CA CYS A 8 23.532 9.659 -0.602 1.00 0.00 C ATOM 133 C CYS A 8 24.329 10.264 0.552 1.00 0.00 C ATOM 134 O CYS A 8 23.760 10.717 1.543 1.00 0.00 O ATOM 135 CB CYS A 8 23.693 10.460 -1.909 1.00 0.00 C ATOM 136 SG CYS A 8 22.426 11.721 -2.156 1.00 0.00 S ATOM 0 H CYS A 8 21.737 10.332 0.246 1.00 0.00 H new ATOM 0 HA CYS A 8 23.936 8.669 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 8 24.673 10.938 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 8 23.673 9.769 -2.752 1.00 0.00 H new ATOM 0 HG CYS A 8 22.956 12.901 -2.021 1.00 0.00 H new ATOM 142 N LYS A 9 25.657 10.321 0.425 1.00 0.00 N ATOM 143 CA LYS A 9 26.526 10.954 1.421 1.00 0.00 C ATOM 144 C LYS A 9 26.317 12.478 1.519 1.00 0.00 C ATOM 145 O LYS A 9 26.800 13.095 2.466 1.00 0.00 O ATOM 146 CB LYS A 9 27.986 10.539 1.151 1.00 0.00 C ATOM 147 CG LYS A 9 28.586 11.164 -0.120 1.00 0.00 C ATOM 148 CD LYS A 9 29.808 10.381 -0.632 1.00 0.00 C ATOM 149 CE LYS A 9 31.006 10.343 0.334 1.00 0.00 C ATOM 150 NZ LYS A 9 31.652 11.669 0.522 1.00 0.00 N ATOM 0 H LYS A 9 26.160 9.930 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 9 26.252 10.594 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.598 10.822 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.036 9.453 1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.825 11.198 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.877 12.194 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.501 9.357 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.134 10.821 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.672 9.969 1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.745 9.636 -0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.450 11.576 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.999 12.019 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.959 12.341 0.909 1.00 0.00 H new ATOM 164 N ARG A 10 25.595 13.080 0.565 1.00 0.00 N ATOM 165 CA ARG A 10 25.143 14.464 0.554 1.00 0.00 C ATOM 166 C ARG A 10 23.910 14.479 -0.343 1.00 0.00 C ATOM 167 O ARG A 10 24.028 14.312 -1.553 1.00 0.00 O ATOM 168 CB ARG A 10 26.262 15.422 0.084 1.00 0.00 C ATOM 169 CG ARG A 10 26.919 15.145 -1.291 1.00 0.00 C ATOM 170 CD ARG A 10 28.202 15.968 -1.465 1.00 0.00 C ATOM 171 NE ARG A 10 27.948 17.418 -1.393 1.00 0.00 N ATOM 172 CZ ARG A 10 28.385 18.286 -0.474 1.00 0.00 C ATOM 173 NH1 ARG A 10 29.105 17.893 0.575 1.00 0.00 N ATOM 174 NH2 ARG A 10 28.081 19.566 -0.637 1.00 0.00 N ATOM 0 H ARG A 10 25.296 12.575 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 10 24.889 14.826 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.851 16.431 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.048 15.414 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 10 27.149 14.083 -1.380 1.00 0.00 H new ATOM 0 HG3 ARG A 10 26.217 15.387 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 10 28.919 15.688 -0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 10 28.658 15.728 -2.426 1.00 0.00 H new ATOM 0 HE ARG A 10 27.367 17.808 -2.136 1.00 0.00 H new ATOM 0 HH11 ARG A 10 29.337 16.907 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.425 18.578 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 10 27.531 19.861 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 10 28.397 20.256 0.044 1.00 0.00 H new ATOM 188 N ASN A 11 22.730 14.602 0.270 1.00 0.00 N ATOM 189 CA ASN A 11 21.402 14.580 -0.372 1.00 0.00 C ATOM 190 C ASN A 11 21.293 15.471 -1.626 1.00 0.00 C ATOM 191 O ASN A 11 20.493 15.178 -2.514 1.00 0.00 O ATOM 192 CB ASN A 11 20.366 15.054 0.657 1.00 0.00 C ATOM 193 CG ASN A 11 18.984 15.234 0.036 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.558 16.355 -0.211 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.262 14.161 -0.233 1.00 0.00 N ATOM 0 H ASN A 11 22.666 14.726 1.280 1.00 0.00 H new ATOM 0 HA ASN A 11 21.226 13.557 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.306 14.331 1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.693 15.998 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.337 14.260 -0.652 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.629 13.233 -0.022 1.00 0.00 H new ATOM 202 N SER A 12 22.092 16.539 -1.677 1.00 0.00 N ATOM 203 CA SER A 12 22.082 17.669 -2.598 1.00 0.00 C ATOM 204 C SER A 12 21.580 17.434 -4.026 1.00 0.00 C ATOM 205 O SER A 12 20.864 18.294 -4.543 1.00 0.00 O ATOM 206 CB SER A 12 23.501 18.258 -2.676 1.00 0.00 C ATOM 207 OG SER A 12 24.194 18.204 -1.437 1.00 0.00 O ATOM 0 H SER A 12 22.844 16.640 -0.996 1.00 0.00 H new ATOM 0 HA SER A 12 21.341 18.341 -2.165 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.072 17.716 -3.429 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.440 19.295 -3.007 1.00 0.00 H new ATOM 0 HG SER A 12 25.113 18.521 -1.562 1.00 0.00 H new ATOM 213 N CYS A 13 21.952 16.326 -4.677 1.00 0.00 N ATOM 214 CA CYS A 13 21.712 16.144 -6.106 1.00 0.00 C ATOM 215 C CYS A 13 21.190 14.755 -6.475 1.00 0.00 C ATOM 216 O CYS A 13 20.037 14.670 -6.887 1.00 0.00 O ATOM 217 CB CYS A 13 22.994 16.518 -6.867 1.00 0.00 C ATOM 218 SG CYS A 13 24.474 15.806 -6.078 1.00 0.00 S ATOM 0 H CYS A 13 22.423 15.539 -4.230 1.00 0.00 H new ATOM 0 HA CYS A 13 20.902 16.810 -6.404 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.924 16.164 -7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.090 17.603 -6.909 1.00 0.00 H new ATOM 0 HG CYS A 13 24.463 16.081 -4.807 1.00 0.00 H new ATOM 224 N ARG A 14 21.981 13.674 -6.354 1.00 0.00 N ATOM 225 CA ARG A 14 21.549 12.348 -6.849 1.00 0.00 C ATOM 226 C ARG A 14 20.218 11.935 -6.207 1.00 0.00 C ATOM 227 O ARG A 14 19.286 11.578 -6.925 1.00 0.00 O ATOM 228 CB ARG A 14 22.601 11.215 -6.743 1.00 0.00 C ATOM 229 CG ARG A 14 23.514 11.240 -5.505 1.00 0.00 C ATOM 230 CD ARG A 14 24.963 10.988 -5.918 1.00 0.00 C ATOM 231 NE ARG A 14 25.875 11.034 -4.767 1.00 0.00 N ATOM 232 CZ ARG A 14 26.488 12.116 -4.284 1.00 0.00 C ATOM 233 NH1 ARG A 14 26.092 13.329 -4.637 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.529 11.983 -3.475 1.00 0.00 N ATOM 0 H ARG A 14 22.907 13.687 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 14 21.414 12.484 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 14 22.077 10.260 -6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 14 23.231 11.250 -7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.433 12.204 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.194 10.481 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.039 10.015 -6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.267 11.734 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 14 26.058 10.151 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.312 13.443 -5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.567 14.150 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.862 11.053 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.997 12.811 -3.106 1.00 0.00 H new ATOM 248 N SER A 15 20.114 12.047 -4.876 1.00 0.00 N ATOM 249 CA SER A 15 18.890 11.755 -4.131 1.00 0.00 C ATOM 250 C SER A 15 17.747 12.647 -4.625 1.00 0.00 C ATOM 251 O SER A 15 16.674 12.149 -4.953 1.00 0.00 O ATOM 252 CB SER A 15 19.122 12.030 -2.641 1.00 0.00 C ATOM 253 OG SER A 15 19.476 10.854 -1.942 1.00 0.00 O ATOM 0 H SER A 15 20.888 12.346 -4.283 1.00 0.00 H new ATOM 0 HA SER A 15 18.626 10.708 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.911 12.773 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.218 12.455 -2.204 1.00 0.00 H new ATOM 0 HG SER A 15 20.449 10.819 -1.833 1.00 0.00 H new ATOM 259 N GLN A 16 17.975 13.962 -4.683 1.00 0.00 N ATOM 260 CA GLN A 16 16.946 14.949 -4.996 1.00 0.00 C ATOM 261 C GLN A 16 16.379 14.751 -6.404 1.00 0.00 C ATOM 262 O GLN A 16 15.160 14.763 -6.586 1.00 0.00 O ATOM 263 CB GLN A 16 17.555 16.351 -4.828 1.00 0.00 C ATOM 264 CG GLN A 16 17.597 16.767 -3.352 1.00 0.00 C ATOM 265 CD GLN A 16 16.216 17.055 -2.751 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.249 17.354 -3.445 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.100 16.970 -1.441 1.00 0.00 N ATOM 0 H GLN A 16 18.893 14.373 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 16 16.107 14.827 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.564 16.363 -5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.970 17.075 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.076 15.976 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.219 17.657 -3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.909 16.721 -0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.201 17.153 -0.996 1.00 0.00 H new ATOM 276 N MET A 17 17.248 14.529 -7.392 1.00 0.00 N ATOM 277 CA MET A 17 16.836 14.234 -8.756 1.00 0.00 C ATOM 278 C MET A 17 16.052 12.928 -8.803 1.00 0.00 C ATOM 279 O MET A 17 14.984 12.881 -9.416 1.00 0.00 O ATOM 280 CB MET A 17 18.061 14.161 -9.675 1.00 0.00 C ATOM 281 CG MET A 17 18.488 15.559 -10.142 1.00 0.00 C ATOM 282 SD MET A 17 19.634 15.590 -11.550 1.00 0.00 S ATOM 283 CE MET A 17 21.154 15.011 -10.756 1.00 0.00 C ATOM 0 H MET A 17 18.260 14.550 -7.263 1.00 0.00 H new ATOM 0 HA MET A 17 16.187 15.036 -9.107 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.887 13.683 -9.148 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.833 13.539 -10.541 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.595 16.123 -10.409 1.00 0.00 H new ATOM 0 HG3 MET A 17 18.954 16.078 -9.304 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.957 14.974 -11.492 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.428 15.695 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.993 14.015 -10.345 1.00 0.00 H new ATOM 293 N ALA A 18 16.544 11.881 -8.130 1.00 0.00 N ATOM 294 CA ALA A 18 15.841 10.613 -8.075 1.00 0.00 C ATOM 295 C ALA A 18 14.443 10.804 -7.486 1.00 0.00 C ATOM 296 O ALA A 18 13.492 10.202 -7.980 1.00 0.00 O ATOM 297 CB ALA A 18 16.641 9.591 -7.266 1.00 0.00 C ATOM 0 H ALA A 18 17.427 11.896 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 18 15.733 10.230 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.098 8.646 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.613 9.436 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.783 9.961 -6.251 1.00 0.00 H new ATOM 303 N GLU A 19 14.309 11.677 -6.483 1.00 0.00 N ATOM 304 CA GLU A 19 13.039 11.963 -5.835 1.00 0.00 C ATOM 305 C GLU A 19 12.045 12.534 -6.847 1.00 0.00 C ATOM 306 O GLU A 19 10.914 12.054 -6.951 1.00 0.00 O ATOM 307 CB GLU A 19 13.230 12.937 -4.654 1.00 0.00 C ATOM 308 CG GLU A 19 12.234 12.609 -3.540 1.00 0.00 C ATOM 309 CD GLU A 19 12.109 13.703 -2.479 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.021 13.827 -1.632 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.064 14.390 -2.479 1.00 0.00 O ATOM 0 H GLU A 19 15.091 12.207 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 19 12.638 11.030 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.249 12.866 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.086 13.963 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.254 12.432 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.537 11.680 -3.056 1.00 0.00 H new ATOM 318 N GLY A 20 12.479 13.549 -7.600 1.00 0.00 N ATOM 319 CA GLY A 20 11.649 14.238 -8.570 1.00 0.00 C ATOM 320 C GLY A 20 11.225 13.317 -9.712 1.00 0.00 C ATOM 321 O GLY A 20 10.045 13.308 -10.076 1.00 0.00 O ATOM 0 H GLY A 20 13.430 13.914 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.763 14.633 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.195 15.091 -8.974 1.00 0.00 H new ATOM 325 N PHE A 21 12.143 12.514 -10.268 1.00 0.00 N ATOM 326 CA PHE A 21 11.761 11.586 -11.329 1.00 0.00 C ATOM 327 C PHE A 21 10.812 10.542 -10.746 1.00 0.00 C ATOM 328 O PHE A 21 9.749 10.327 -11.311 1.00 0.00 O ATOM 329 CB PHE A 21 12.973 10.948 -12.039 1.00 0.00 C ATOM 330 CG PHE A 21 13.875 11.940 -12.761 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.371 12.772 -13.786 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.210 12.097 -12.347 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.147 13.838 -14.276 1.00 0.00 C ATOM 334 CE2 PHE A 21 15.989 13.152 -12.847 1.00 0.00 C ATOM 335 CZ PHE A 21 15.433 14.051 -13.770 1.00 0.00 C ATOM 0 H PHE A 21 13.129 12.490 -10.006 1.00 0.00 H new ATOM 0 HA PHE A 21 11.247 12.144 -12.112 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.566 10.406 -11.302 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.611 10.214 -12.759 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.388 12.589 -14.194 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.638 11.402 -11.640 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.751 14.490 -15.041 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.012 13.271 -12.523 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.001 14.912 -14.091 1.00 0.00 H new ATOM 345 N ALA A 22 11.113 9.944 -9.593 1.00 0.00 N ATOM 346 CA ALA A 22 10.319 8.865 -9.015 1.00 0.00 C ATOM 347 C ALA A 22 8.878 9.270 -8.771 1.00 0.00 C ATOM 348 O ALA A 22 7.986 8.493 -9.106 1.00 0.00 O ATOM 349 CB ALA A 22 10.952 8.396 -7.709 1.00 0.00 C ATOM 0 H ALA A 22 11.924 10.200 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 22 10.308 8.050 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.354 7.590 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.962 8.034 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.994 9.228 -7.006 1.00 0.00 H new ATOM 355 N LYS A 23 8.615 10.470 -8.238 1.00 0.00 N ATOM 356 CA LYS A 23 7.233 10.895 -8.100 1.00 0.00 C ATOM 357 C LYS A 23 6.606 11.143 -9.463 1.00 0.00 C ATOM 358 O LYS A 23 5.456 10.791 -9.660 1.00 0.00 O ATOM 359 CB LYS A 23 7.043 12.061 -7.121 1.00 0.00 C ATOM 360 CG LYS A 23 7.750 13.376 -7.459 1.00 0.00 C ATOM 361 CD LYS A 23 7.714 14.303 -6.233 1.00 0.00 C ATOM 362 CE LYS A 23 8.719 13.858 -5.166 1.00 0.00 C ATOM 363 NZ LYS A 23 8.889 14.872 -4.093 1.00 0.00 N ATOM 0 H LYS A 23 9.316 11.135 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 23 6.690 10.071 -7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.975 12.263 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.384 11.736 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.782 13.182 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.262 13.857 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.936 15.325 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.710 14.309 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.385 12.919 -4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.683 13.665 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.485 14.480 -3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.343 15.721 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.958 15.126 -3.705 1.00 0.00 H new ATOM 377 N THR A 24 7.322 11.653 -10.453 1.00 0.00 N ATOM 378 CA THR A 24 6.691 11.869 -11.735 1.00 0.00 C ATOM 379 C THR A 24 6.334 10.528 -12.400 1.00 0.00 C ATOM 380 O THR A 24 5.251 10.362 -12.965 1.00 0.00 O ATOM 381 CB THR A 24 7.670 12.685 -12.592 1.00 0.00 C ATOM 382 OG1 THR A 24 8.075 13.863 -11.917 1.00 0.00 O ATOM 383 CG2 THR A 24 7.017 13.092 -13.903 1.00 0.00 C ATOM 0 H THR A 24 8.306 11.916 -10.395 1.00 0.00 H new ATOM 0 HA THR A 24 5.754 12.414 -11.620 1.00 0.00 H new ATOM 0 HB THR A 24 8.538 12.054 -12.783 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.716 13.632 -11.212 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.725 13.669 -14.498 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.722 12.200 -14.455 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.135 13.699 -13.697 1.00 0.00 H new ATOM 391 N LEU A 25 7.256 9.571 -12.318 1.00 0.00 N ATOM 392 CA LEU A 25 7.195 8.271 -12.957 1.00 0.00 C ATOM 393 C LEU A 25 6.181 7.372 -12.269 1.00 0.00 C ATOM 394 O LEU A 25 5.451 6.648 -12.947 1.00 0.00 O ATOM 395 CB LEU A 25 8.588 7.631 -12.897 1.00 0.00 C ATOM 396 CG LEU A 25 9.650 8.369 -13.738 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.018 7.829 -13.333 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.418 8.175 -15.238 1.00 0.00 C ATOM 0 H LEU A 25 8.109 9.695 -11.773 1.00 0.00 H new ATOM 0 HA LEU A 25 6.881 8.396 -13.993 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.918 7.599 -11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.518 6.599 -13.241 1.00 0.00 H new ATOM 0 HG LEU A 25 9.587 9.441 -13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.793 8.332 -13.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.181 8.012 -12.271 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.058 6.757 -13.527 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.186 8.710 -15.797 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.466 7.113 -15.479 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.436 8.564 -15.508 1.00 0.00 H new ATOM 410 N GLY A 26 6.136 7.428 -10.936 1.00 0.00 N ATOM 411 CA GLY A 26 5.380 6.471 -10.144 1.00 0.00 C ATOM 412 C GLY A 26 4.539 7.005 -8.987 1.00 0.00 C ATOM 413 O GLY A 26 3.961 6.169 -8.289 1.00 0.00 O ATOM 0 H GLY A 26 6.621 8.135 -10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.716 5.930 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.083 5.744 -9.738 1.00 0.00 H new ATOM 417 N ALA A 27 4.412 8.320 -8.758 1.00 0.00 N ATOM 418 CA ALA A 27 3.463 8.841 -7.773 1.00 0.00 C ATOM 419 C ALA A 27 2.060 8.339 -8.120 1.00 0.00 C ATOM 420 O ALA A 27 1.529 8.655 -9.189 1.00 0.00 O ATOM 421 CB ALA A 27 3.492 10.377 -7.677 1.00 0.00 C ATOM 0 H ALA A 27 4.954 9.037 -9.241 1.00 0.00 H new ATOM 0 HA ALA A 27 3.756 8.473 -6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.769 10.709 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.490 10.705 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.238 10.807 -8.646 1.00 0.00 H new ATOM 427 N GLY A 28 1.488 7.528 -7.229 1.00 0.00 N ATOM 428 CA GLY A 28 0.215 6.842 -7.430 1.00 0.00 C ATOM 429 C GLY A 28 0.354 5.332 -7.237 1.00 0.00 C ATOM 430 O GLY A 28 -0.622 4.680 -6.860 1.00 0.00 O ATOM 0 H GLY A 28 1.911 7.326 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.524 7.232 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.156 7.049 -8.434 1.00 0.00 H new ATOM 434 N LYS A 29 1.559 4.774 -7.428 1.00 0.00 N ATOM 435 CA LYS A 29 1.860 3.359 -7.201 1.00 0.00 C ATOM 436 C LYS A 29 3.082 3.185 -6.300 1.00 0.00 C ATOM 437 O LYS A 29 3.210 2.149 -5.649 1.00 0.00 O ATOM 438 CB LYS A 29 1.918 2.590 -8.537 1.00 0.00 C ATOM 439 CG LYS A 29 2.687 3.237 -9.711 1.00 0.00 C ATOM 440 CD LYS A 29 4.210 3.101 -9.621 1.00 0.00 C ATOM 441 CE LYS A 29 4.697 1.655 -9.791 1.00 0.00 C ATOM 442 NZ LYS A 29 4.445 1.143 -11.164 1.00 0.00 N ATOM 0 H LYS A 29 2.366 5.308 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 29 1.043 2.901 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.364 1.615 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.894 2.413 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.349 2.786 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.431 4.295 -9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.670 3.725 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.546 3.480 -8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.764 1.603 -9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.193 1.015 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.193 0.469 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.522 0.664 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.444 1.937 -11.836 1.00 0.00 H new ATOM 456 N ILE A 30 3.927 4.208 -6.177 1.00 0.00 N ATOM 457 CA ILE A 30 4.996 4.288 -5.196 1.00 0.00 C ATOM 458 C ILE A 30 4.885 5.652 -4.523 1.00 0.00 C ATOM 459 O ILE A 30 4.360 6.604 -5.107 1.00 0.00 O ATOM 460 CB ILE A 30 6.399 4.051 -5.804 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.773 4.978 -6.983 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.528 2.577 -6.213 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.289 5.158 -7.167 1.00 0.00 C ATOM 0 H ILE A 30 3.880 5.029 -6.780 1.00 0.00 H new ATOM 0 HA ILE A 30 4.881 3.488 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 30 7.113 4.306 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.349 4.572 -7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.316 5.955 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.515 2.404 -6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.397 1.943 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.764 2.336 -6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.477 5.820 -8.012 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.716 5.593 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.750 4.189 -7.356 1.00 0.00 H new ATOM 475 N ALA A 31 5.399 5.740 -3.302 1.00 0.00 N ATOM 476 CA ALA A 31 5.586 6.982 -2.578 1.00 0.00 C ATOM 477 C ALA A 31 7.088 7.114 -2.379 1.00 0.00 C ATOM 478 O ALA A 31 7.729 6.156 -1.947 1.00 0.00 O ATOM 479 CB ALA A 31 4.847 6.914 -1.238 1.00 0.00 C ATOM 0 H ALA A 31 5.705 4.921 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 31 5.188 7.844 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.989 7.849 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.783 6.757 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.242 6.088 -0.646 1.00 0.00 H new ATOM 485 N VAL A 32 7.656 8.270 -2.709 1.00 0.00 N ATOM 486 CA VAL A 32 9.083 8.480 -2.643 1.00 0.00 C ATOM 487 C VAL A 32 9.459 9.509 -1.579 1.00 0.00 C ATOM 488 O VAL A 32 8.712 10.446 -1.286 1.00 0.00 O ATOM 489 CB VAL A 32 9.545 8.898 -4.048 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.778 10.075 -4.660 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.035 9.226 -4.037 1.00 0.00 C ATOM 0 H VAL A 32 7.131 9.084 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 32 9.589 7.563 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 32 9.332 8.036 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.177 10.294 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.722 9.817 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.888 10.952 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.350 9.521 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.222 10.045 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.599 8.347 -3.723 1.00 0.00 H new ATOM 501 N THR A 33 10.667 9.342 -1.054 1.00 0.00 N ATOM 502 CA THR A 33 11.372 10.285 -0.223 1.00 0.00 C ATOM 503 C THR A 33 12.856 10.161 -0.598 1.00 0.00 C ATOM 504 O THR A 33 13.300 9.110 -1.063 1.00 0.00 O ATOM 505 CB THR A 33 11.145 9.963 1.268 1.00 0.00 C ATOM 506 OG1 THR A 33 9.782 9.711 1.572 1.00 0.00 O ATOM 507 CG2 THR A 33 11.630 11.086 2.188 1.00 0.00 C ATOM 0 H THR A 33 11.205 8.490 -1.212 1.00 0.00 H new ATOM 0 HA THR A 33 11.016 11.303 -0.380 1.00 0.00 H new ATOM 0 HB THR A 33 11.730 9.061 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.720 9.234 2.426 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.447 10.810 3.227 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.698 11.244 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.091 12.004 1.957 1.00 0.00 H new ATOM 515 N SER A 34 13.632 11.224 -0.429 1.00 0.00 N ATOM 516 CA SER A 34 15.076 11.196 -0.510 1.00 0.00 C ATOM 517 C SER A 34 15.653 11.869 0.737 1.00 0.00 C ATOM 518 O SER A 34 14.978 12.670 1.394 1.00 0.00 O ATOM 519 CB SER A 34 15.542 11.816 -1.825 1.00 0.00 C ATOM 520 OG SER A 34 15.550 13.232 -1.800 1.00 0.00 O ATOM 0 H SER A 34 13.259 12.151 -0.227 1.00 0.00 H new ATOM 0 HA SER A 34 15.450 10.172 -0.521 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.546 11.457 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.891 11.477 -2.631 1.00 0.00 H new ATOM 0 HG SER A 34 14.671 13.569 -2.072 1.00 0.00 H new ATOM 526 N CYS A 35 16.897 11.543 1.082 1.00 0.00 N ATOM 527 CA CYS A 35 17.584 12.058 2.248 1.00 0.00 C ATOM 528 C CYS A 35 19.082 11.886 1.985 1.00 0.00 C ATOM 529 O CYS A 35 19.494 11.720 0.826 1.00 0.00 O ATOM 530 CB CYS A 35 17.080 11.332 3.511 1.00 0.00 C ATOM 531 SG CYS A 35 17.506 9.569 3.484 1.00 0.00 S ATOM 0 H CYS A 35 17.465 10.894 0.537 1.00 0.00 H new ATOM 0 HA CYS A 35 17.384 13.115 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.513 11.798 4.396 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.999 11.444 3.589 1.00 0.00 H new ATOM 0 HG CYS A 35 16.534 8.896 2.944 1.00 0.00 H new ATOM 537 N GLY A 36 19.906 11.926 3.025 1.00 0.00 N ATOM 538 CA GLY A 36 21.304 11.562 2.926 1.00 0.00 C ATOM 539 C GLY A 36 21.854 11.198 4.296 1.00 0.00 C ATOM 540 O GLY A 36 21.233 11.525 5.312 1.00 0.00 O ATOM 0 H GLY A 36 19.618 12.213 3.960 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.420 10.719 2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.874 12.391 2.507 1.00 0.00 H new ATOM 544 N LEU A 37 23.017 10.532 4.311 1.00 0.00 N ATOM 545 CA LEU A 37 23.731 10.137 5.533 1.00 0.00 C ATOM 546 C LEU A 37 23.951 11.346 6.447 1.00 0.00 C ATOM 547 O LEU A 37 23.952 11.214 7.671 1.00 0.00 O ATOM 548 CB LEU A 37 25.084 9.483 5.195 1.00 0.00 C ATOM 549 CG LEU A 37 24.989 8.049 4.637 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.362 7.607 4.119 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.510 7.056 5.707 1.00 0.00 C ATOM 0 H LEU A 37 23.497 10.247 3.457 1.00 0.00 H new ATOM 0 HA LEU A 37 23.113 9.407 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.601 10.107 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.699 9.467 6.095 1.00 0.00 H new ATOM 0 HG LEU A 37 24.261 8.054 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.293 6.593 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 37 26.687 8.283 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.084 7.631 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.455 6.056 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.211 7.054 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.523 7.352 6.063 1.00 0.00 H new ATOM 563 N GLU A 38 24.113 12.520 5.843 1.00 0.00 N ATOM 564 CA GLU A 38 24.108 13.817 6.484 1.00 0.00 C ATOM 565 C GLU A 38 23.411 14.736 5.481 1.00 0.00 C ATOM 566 O GLU A 38 23.514 14.543 4.261 1.00 0.00 O ATOM 567 CB GLU A 38 25.536 14.275 6.809 1.00 0.00 C ATOM 568 CG GLU A 38 25.555 15.512 7.718 1.00 0.00 C ATOM 569 CD GLU A 38 26.990 15.885 8.133 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.674 16.628 7.393 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.446 15.456 9.218 1.00 0.00 O ATOM 0 H GLU A 38 24.259 12.587 4.836 1.00 0.00 H new ATOM 0 HA GLU A 38 23.591 13.814 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.075 13.461 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.064 14.499 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.095 16.353 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.956 15.320 8.608 1.00 0.00 H new ATOM 578 N SER A 39 22.654 15.695 5.995 1.00 0.00 N ATOM 579 CA SER A 39 21.903 16.644 5.190 1.00 0.00 C ATOM 580 C SER A 39 22.817 17.715 4.582 1.00 0.00 C ATOM 581 O SER A 39 23.966 17.906 4.997 1.00 0.00 O ATOM 582 CB SER A 39 20.795 17.263 6.061 1.00 0.00 C ATOM 583 OG SER A 39 21.245 17.516 7.386 1.00 0.00 O ATOM 0 H SER A 39 22.544 15.837 6.999 1.00 0.00 H new ATOM 0 HA SER A 39 21.446 16.123 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.455 18.194 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.937 16.591 6.090 1.00 0.00 H new ATOM 0 HG SER A 39 20.516 17.910 7.909 1.00 0.00 H new ATOM 589 N SER A 40 22.273 18.436 3.605 1.00 0.00 N ATOM 590 CA SER A 40 22.915 19.540 2.912 1.00 0.00 C ATOM 591 C SER A 40 21.800 20.507 2.479 1.00 0.00 C ATOM 592 O SER A 40 20.926 20.831 3.290 1.00 0.00 O ATOM 593 CB SER A 40 23.782 18.968 1.776 1.00 0.00 C ATOM 594 OG SER A 40 23.047 18.082 0.953 1.00 0.00 O ATOM 0 H SER A 40 21.330 18.255 3.262 1.00 0.00 H new ATOM 0 HA SER A 40 23.604 20.114 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.175 19.785 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.639 18.445 2.200 1.00 0.00 H new ATOM 0 HG SER A 40 23.173 18.328 0.013 1.00 0.00 H new ATOM 600 N ARG A 41 21.796 20.958 1.224 1.00 0.00 N ATOM 601 CA ARG A 41 20.724 21.732 0.606 1.00 0.00 C ATOM 602 C ARG A 41 20.646 21.296 -0.850 1.00 0.00 C ATOM 603 O ARG A 41 21.638 20.783 -1.379 1.00 0.00 O ATOM 604 CB ARG A 41 20.939 23.252 0.772 1.00 0.00 C ATOM 605 CG ARG A 41 22.042 23.929 -0.064 1.00 0.00 C ATOM 606 CD ARG A 41 23.462 23.481 0.293 1.00 0.00 C ATOM 607 NE ARG A 41 23.796 23.732 1.709 1.00 0.00 N ATOM 608 CZ ARG A 41 24.779 23.139 2.400 1.00 0.00 C ATOM 609 NH1 ARG A 41 25.613 22.292 1.802 1.00 0.00 N ATOM 610 NH2 ARG A 41 24.914 23.390 3.698 1.00 0.00 N ATOM 0 H ARG A 41 22.573 20.786 0.586 1.00 0.00 H new ATOM 0 HA ARG A 41 19.771 21.538 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 41 19.996 23.748 0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.153 23.445 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.862 23.722 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.970 25.009 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.568 22.417 0.081 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.175 24.005 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 41 23.228 24.418 2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.507 22.089 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.358 21.846 2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.271 24.031 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.660 22.942 4.229 1.00 0.00 H new ATOM 624 N VAL A 42 19.502 21.498 -1.502 1.00 0.00 N ATOM 625 CA VAL A 42 19.334 21.057 -2.879 1.00 0.00 C ATOM 626 C VAL A 42 20.298 21.863 -3.742 1.00 0.00 C ATOM 627 O VAL A 42 20.378 23.090 -3.622 1.00 0.00 O ATOM 628 CB VAL A 42 17.878 21.194 -3.356 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.744 20.575 -4.756 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.920 20.508 -2.371 1.00 0.00 C ATOM 0 H VAL A 42 18.686 21.960 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 42 19.563 19.994 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 42 17.613 22.250 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.714 20.670 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.406 21.095 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.017 19.521 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.895 20.616 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.169 19.449 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.015 20.971 -1.389 1.00 0.00 H new ATOM 640 N HIS A 43 21.042 21.167 -4.595 1.00 0.00 N ATOM 641 CA HIS A 43 22.008 21.789 -5.473 1.00 0.00 C ATOM 642 C HIS A 43 21.257 22.550 -6.574 1.00 0.00 C ATOM 643 O HIS A 43 20.279 22.020 -7.102 1.00 0.00 O ATOM 644 CB HIS A 43 22.929 20.694 -6.019 1.00 0.00 C ATOM 645 CG HIS A 43 24.294 21.218 -6.357 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.727 21.621 -7.595 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.326 21.420 -5.480 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.998 22.031 -7.476 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.412 21.932 -6.202 1.00 0.00 N ATOM 0 H HIS A 43 20.987 20.153 -4.692 1.00 0.00 H new ATOM 0 HA HIS A 43 22.630 22.516 -4.951 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.020 19.897 -5.281 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.480 20.254 -6.909 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.306 21.220 -4.419 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.606 22.392 -8.293 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.331 22.179 -5.835 1.00 0.00 H new ATOM 657 N PRO A 44 21.675 23.764 -6.968 1.00 0.00 N ATOM 658 CA PRO A 44 20.858 24.592 -7.845 1.00 0.00 C ATOM 659 C PRO A 44 20.808 24.033 -9.262 1.00 0.00 C ATOM 660 O PRO A 44 19.754 24.010 -9.885 1.00 0.00 O ATOM 661 CB PRO A 44 21.475 25.992 -7.773 1.00 0.00 C ATOM 662 CG PRO A 44 22.942 25.730 -7.425 1.00 0.00 C ATOM 663 CD PRO A 44 22.901 24.450 -6.588 1.00 0.00 C ATOM 0 HA PRO A 44 19.815 24.616 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 44 21.378 26.521 -8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.988 26.605 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.548 25.601 -8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.374 26.560 -6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.774 23.827 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.906 24.680 -5.522 1.00 0.00 H new ATOM 671 N THR A 45 21.907 23.494 -9.775 1.00 0.00 N ATOM 672 CA THR A 45 21.930 22.954 -11.125 1.00 0.00 C ATOM 673 C THR A 45 21.054 21.693 -11.260 1.00 0.00 C ATOM 674 O THR A 45 20.619 21.349 -12.361 1.00 0.00 O ATOM 675 CB THR A 45 23.401 22.676 -11.459 1.00 0.00 C ATOM 676 OG1 THR A 45 24.220 23.775 -11.090 1.00 0.00 O ATOM 677 CG2 THR A 45 23.663 22.289 -12.909 1.00 0.00 C ATOM 0 H THR A 45 22.793 23.420 -9.275 1.00 0.00 H new ATOM 0 HA THR A 45 21.505 23.666 -11.832 1.00 0.00 H new ATOM 0 HB THR A 45 23.663 21.799 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.154 23.576 -11.310 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.729 22.112 -13.051 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.109 21.382 -13.149 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.339 23.096 -13.565 1.00 0.00 H new ATOM 685 N ALA A 46 20.725 21.036 -10.142 1.00 0.00 N ATOM 686 CA ALA A 46 19.776 19.930 -10.126 1.00 0.00 C ATOM 687 C ALA A 46 18.425 20.378 -10.672 1.00 0.00 C ATOM 688 O ALA A 46 17.763 19.639 -11.400 1.00 0.00 O ATOM 689 CB ALA A 46 19.571 19.481 -8.683 1.00 0.00 C ATOM 0 H ALA A 46 21.112 21.260 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 46 20.170 19.121 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.862 18.653 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.524 19.157 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.180 20.312 -8.095 1.00 0.00 H new ATOM 695 N ILE A 47 18.026 21.603 -10.318 1.00 0.00 N ATOM 696 CA ILE A 47 16.772 22.182 -10.715 1.00 0.00 C ATOM 697 C ILE A 47 16.742 22.196 -12.245 1.00 0.00 C ATOM 698 O ILE A 47 15.780 21.727 -12.849 1.00 0.00 O ATOM 699 CB ILE A 47 16.677 23.598 -10.111 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.870 23.631 -8.573 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.341 24.229 -10.494 1.00 0.00 C ATOM 702 CD1 ILE A 47 17.225 25.032 -8.065 1.00 0.00 C ATOM 0 H ILE A 47 18.590 22.221 -9.734 1.00 0.00 H new ATOM 0 HA ILE A 47 15.914 21.614 -10.355 1.00 0.00 H new ATOM 0 HB ILE A 47 17.501 24.176 -10.529 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.956 23.291 -8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.659 22.934 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.275 25.230 -10.066 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.267 24.293 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.526 23.616 -10.110 1.00 0.00 H new ATOM 0 HD11 ILE A 47 17.350 25.006 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 47 18.154 25.363 -8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.424 25.726 -8.321 1.00 0.00 H new ATOM 714 N ALA A 48 17.832 22.668 -12.861 1.00 0.00 N ATOM 715 CA ALA A 48 17.938 22.835 -14.295 1.00 0.00 C ATOM 716 C ALA A 48 17.770 21.512 -15.034 1.00 0.00 C ATOM 717 O ALA A 48 17.102 21.467 -16.061 1.00 0.00 O ATOM 718 CB ALA A 48 19.276 23.484 -14.654 1.00 0.00 C ATOM 0 H ALA A 48 18.674 22.946 -12.358 1.00 0.00 H new ATOM 0 HA ALA A 48 17.127 23.490 -14.613 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.344 23.604 -15.735 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.347 24.461 -14.175 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.092 22.850 -14.308 1.00 0.00 H new ATOM 724 N MET A 49 18.345 20.434 -14.505 1.00 0.00 N ATOM 725 CA MET A 49 18.252 19.102 -15.103 1.00 0.00 C ATOM 726 C MET A 49 16.802 18.639 -15.196 1.00 0.00 C ATOM 727 O MET A 49 16.322 18.158 -16.231 1.00 0.00 O ATOM 728 CB MET A 49 19.046 18.107 -14.246 1.00 0.00 C ATOM 729 CG MET A 49 20.540 18.307 -14.421 1.00 0.00 C ATOM 730 SD MET A 49 21.094 18.037 -16.128 1.00 0.00 S ATOM 731 CE MET A 49 21.974 19.591 -16.476 1.00 0.00 C ATOM 0 H MET A 49 18.892 20.459 -13.644 1.00 0.00 H new ATOM 0 HA MET A 49 18.664 19.148 -16.111 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.780 18.232 -13.197 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.777 17.088 -14.523 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.804 19.319 -14.114 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.073 17.624 -13.759 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.388 20.194 -17.170 1.00 0.00 H new ATOM 0 HE2 MET A 49 22.118 20.143 -15.547 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.944 19.368 -16.920 1.00 0.00 H new ATOM 741 N MET A 50 16.099 18.780 -14.082 1.00 0.00 N ATOM 742 CA MET A 50 14.718 18.371 -13.994 1.00 0.00 C ATOM 743 C MET A 50 13.874 19.298 -14.853 1.00 0.00 C ATOM 744 O MET A 50 12.985 18.807 -15.542 1.00 0.00 O ATOM 745 CB MET A 50 14.305 18.314 -12.523 1.00 0.00 C ATOM 746 CG MET A 50 15.155 17.229 -11.838 1.00 0.00 C ATOM 747 SD MET A 50 14.289 16.238 -10.599 1.00 0.00 S ATOM 748 CE MET A 50 13.147 15.345 -11.655 1.00 0.00 C ATOM 0 H MET A 50 16.473 19.180 -13.222 1.00 0.00 H new ATOM 0 HA MET A 50 14.564 17.367 -14.388 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.462 19.281 -12.044 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.244 18.082 -12.433 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.548 16.561 -12.604 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.011 17.708 -11.363 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.138 15.429 -11.252 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.173 15.768 -12.659 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.435 14.295 -11.696 1.00 0.00 H new ATOM 758 N GLU A 51 14.212 20.586 -14.933 1.00 0.00 N ATOM 759 CA GLU A 51 13.565 21.512 -15.849 1.00 0.00 C ATOM 760 C GLU A 51 13.757 21.087 -17.307 1.00 0.00 C ATOM 761 O GLU A 51 12.855 21.313 -18.115 1.00 0.00 O ATOM 762 CB GLU A 51 14.082 22.939 -15.622 1.00 0.00 C ATOM 763 CG GLU A 51 13.406 23.627 -14.427 1.00 0.00 C ATOM 764 CD GLU A 51 13.808 25.111 -14.330 1.00 0.00 C ATOM 765 OE1 GLU A 51 15.000 25.422 -14.114 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.925 25.989 -14.472 1.00 0.00 O ATOM 0 H GLU A 51 14.943 21.011 -14.362 1.00 0.00 H new ATOM 0 HA GLU A 51 12.495 21.494 -15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.159 22.910 -15.458 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.912 23.531 -16.521 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.323 23.548 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.682 23.113 -13.506 1.00 0.00 H new ATOM 773 N GLU A 52 14.870 20.427 -17.650 1.00 0.00 N ATOM 774 CA GLU A 52 15.060 19.879 -18.992 1.00 0.00 C ATOM 775 C GLU A 52 14.014 18.806 -19.281 1.00 0.00 C ATOM 776 O GLU A 52 13.487 18.741 -20.394 1.00 0.00 O ATOM 777 CB GLU A 52 16.456 19.281 -19.236 1.00 0.00 C ATOM 778 CG GLU A 52 17.626 20.217 -18.899 1.00 0.00 C ATOM 779 CD GLU A 52 18.840 20.027 -19.827 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.541 18.994 -19.728 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.125 20.928 -20.648 1.00 0.00 O ATOM 0 H GLU A 52 15.651 20.261 -17.015 1.00 0.00 H new ATOM 0 HA GLU A 52 14.951 20.728 -19.667 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.555 18.371 -18.644 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.533 18.989 -20.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.286 21.251 -18.963 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.935 20.046 -17.868 1.00 0.00 H new ATOM 788 N VAL A 53 13.700 17.976 -18.282 1.00 0.00 N ATOM 789 CA VAL A 53 12.684 16.929 -18.444 1.00 0.00 C ATOM 790 C VAL A 53 11.260 17.511 -18.311 1.00 0.00 C ATOM 791 O VAL A 53 10.301 16.905 -18.794 1.00 0.00 O ATOM 792 CB VAL A 53 12.989 15.765 -17.477 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.020 14.581 -17.616 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.405 15.225 -17.752 1.00 0.00 C ATOM 0 H VAL A 53 14.131 18.007 -17.358 1.00 0.00 H new ATOM 0 HA VAL A 53 12.724 16.517 -19.452 1.00 0.00 H new ATOM 0 HB VAL A 53 12.887 16.177 -16.473 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.295 13.801 -16.906 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.003 14.917 -17.411 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.073 14.184 -18.630 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.620 14.403 -17.069 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.465 14.868 -18.780 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.134 16.022 -17.602 1.00 0.00 H new ATOM 804 N GLY A 54 11.107 18.699 -17.718 1.00 0.00 N ATOM 805 CA GLY A 54 9.820 19.355 -17.496 1.00 0.00 C ATOM 806 C GLY A 54 9.315 19.148 -16.065 1.00 0.00 C ATOM 807 O GLY A 54 8.105 19.155 -15.834 1.00 0.00 O ATOM 0 H GLY A 54 11.897 19.243 -17.371 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.917 20.422 -17.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.086 18.963 -18.201 1.00 0.00 H new ATOM 811 N ILE A 55 10.230 18.932 -15.118 1.00 0.00 N ATOM 812 CA ILE A 55 9.965 18.739 -13.691 1.00 0.00 C ATOM 813 C ILE A 55 10.758 19.838 -12.944 1.00 0.00 C ATOM 814 O ILE A 55 11.355 20.713 -13.573 1.00 0.00 O ATOM 815 CB ILE A 55 10.321 17.276 -13.303 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.644 16.215 -14.212 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.951 16.928 -11.843 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.513 14.961 -14.325 1.00 0.00 C ATOM 0 H ILE A 55 11.225 18.885 -15.336 1.00 0.00 H new ATOM 0 HA ILE A 55 8.916 18.851 -13.415 1.00 0.00 H new ATOM 0 HB ILE A 55 11.402 17.237 -13.434 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.668 15.951 -13.805 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.473 16.635 -15.203 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.225 15.894 -11.635 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.489 17.589 -11.164 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.878 17.055 -11.699 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.018 14.232 -14.967 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.479 15.225 -14.754 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.662 14.531 -13.335 1.00 0.00 H new ATOM 830 N ASP A 56 10.757 19.847 -11.612 1.00 0.00 N ATOM 831 CA ASP A 56 11.419 20.852 -10.783 1.00 0.00 C ATOM 832 C ASP A 56 11.865 20.217 -9.462 1.00 0.00 C ATOM 833 O ASP A 56 11.266 19.233 -9.021 1.00 0.00 O ATOM 834 CB ASP A 56 10.431 21.995 -10.492 1.00 0.00 C ATOM 835 CG ASP A 56 10.958 22.913 -9.383 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.059 23.480 -9.561 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.335 22.993 -8.303 1.00 0.00 O ATOM 0 H ASP A 56 10.280 19.132 -11.063 1.00 0.00 H new ATOM 0 HA ASP A 56 12.291 21.242 -11.308 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.264 22.575 -11.400 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.467 21.580 -10.197 1.00 0.00 H new ATOM 842 N ILE A 57 12.885 20.803 -8.824 1.00 0.00 N ATOM 843 CA ILE A 57 13.296 20.473 -7.459 1.00 0.00 C ATOM 844 C ILE A 57 13.462 21.720 -6.576 1.00 0.00 C ATOM 845 O ILE A 57 13.519 21.576 -5.357 1.00 0.00 O ATOM 846 CB ILE A 57 14.560 19.584 -7.396 1.00 0.00 C ATOM 847 CG1 ILE A 57 15.054 18.979 -8.722 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.300 18.476 -6.367 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.320 18.143 -8.518 1.00 0.00 C ATOM 0 H ILE A 57 13.456 21.532 -9.251 1.00 0.00 H new ATOM 0 HA ILE A 57 12.474 19.883 -7.054 1.00 0.00 H new ATOM 0 HB ILE A 57 15.377 20.247 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.271 18.356 -9.153 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.255 19.778 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.175 17.830 -6.299 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.102 18.923 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.437 17.886 -6.677 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.642 17.731 -9.474 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.110 18.773 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.111 17.329 -7.824 1.00 0.00 H new ATOM 861 N SER A 58 13.503 22.931 -7.142 1.00 0.00 N ATOM 862 CA SER A 58 13.579 24.176 -6.373 1.00 0.00 C ATOM 863 C SER A 58 12.470 24.277 -5.305 1.00 0.00 C ATOM 864 O SER A 58 12.682 24.879 -4.250 1.00 0.00 O ATOM 865 CB SER A 58 13.544 25.389 -7.316 1.00 0.00 C ATOM 866 OG SER A 58 12.332 25.519 -8.028 1.00 0.00 O ATOM 0 H SER A 58 13.484 23.075 -8.152 1.00 0.00 H new ATOM 0 HA SER A 58 14.529 24.170 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.712 26.295 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.366 25.309 -8.027 1.00 0.00 H new ATOM 0 HG SER A 58 12.382 24.998 -8.857 1.00 0.00 H new ATOM 872 N GLY A 59 11.298 23.681 -5.564 1.00 0.00 N ATOM 873 CA GLY A 59 10.129 23.744 -4.697 1.00 0.00 C ATOM 874 C GLY A 59 10.193 22.814 -3.481 1.00 0.00 C ATOM 875 O GLY A 59 9.312 22.905 -2.623 1.00 0.00 O ATOM 0 H GLY A 59 11.140 23.129 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.005 24.769 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.244 23.496 -5.282 1.00 0.00 H new ATOM 879 N GLN A 60 11.200 21.937 -3.377 1.00 0.00 N ATOM 880 CA GLN A 60 11.387 21.003 -2.278 1.00 0.00 C ATOM 881 C GLN A 60 12.782 21.161 -1.655 1.00 0.00 C ATOM 882 O GLN A 60 13.635 21.871 -2.193 1.00 0.00 O ATOM 883 CB GLN A 60 11.049 19.582 -2.758 1.00 0.00 C ATOM 884 CG GLN A 60 11.997 18.990 -3.811 1.00 0.00 C ATOM 885 CD GLN A 60 11.643 17.547 -4.181 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.486 17.194 -4.409 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.636 16.681 -4.268 1.00 0.00 N ATOM 0 H GLN A 60 11.929 21.862 -4.086 1.00 0.00 H new ATOM 0 HA GLN A 60 10.698 21.224 -1.463 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.038 18.919 -1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.039 19.588 -3.168 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.968 19.608 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.019 19.024 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.592 16.981 -4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.447 15.712 -4.526 1.00 0.00 H new ATOM 896 N THR A 61 13.013 20.515 -0.511 1.00 0.00 N ATOM 897 CA THR A 61 14.190 20.726 0.329 1.00 0.00 C ATOM 898 C THR A 61 14.914 19.415 0.659 1.00 0.00 C ATOM 899 O THR A 61 14.373 18.318 0.477 1.00 0.00 O ATOM 900 CB THR A 61 13.734 21.461 1.607 1.00 0.00 C ATOM 901 OG1 THR A 61 12.588 20.837 2.167 1.00 0.00 O ATOM 902 CG2 THR A 61 13.366 22.911 1.284 1.00 0.00 C ATOM 0 H THR A 61 12.372 19.816 -0.136 1.00 0.00 H new ATOM 0 HA THR A 61 14.917 21.331 -0.213 1.00 0.00 H new ATOM 0 HB THR A 61 14.561 21.426 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.317 21.318 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.046 23.417 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.235 23.423 0.870 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.555 22.927 0.556 1.00 0.00 H new ATOM 910 N SER A 62 16.154 19.541 1.138 1.00 0.00 N ATOM 911 CA SER A 62 16.951 18.442 1.670 1.00 0.00 C ATOM 912 C SER A 62 16.525 18.099 3.102 1.00 0.00 C ATOM 913 O SER A 62 15.969 18.942 3.811 1.00 0.00 O ATOM 914 CB SER A 62 18.428 18.847 1.624 1.00 0.00 C ATOM 915 OG SER A 62 18.825 19.045 0.282 1.00 0.00 O ATOM 0 H SER A 62 16.641 20.437 1.166 1.00 0.00 H new ATOM 0 HA SER A 62 16.794 17.550 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.583 19.761 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.042 18.073 2.085 1.00 0.00 H new ATOM 0 HG SER A 62 18.843 18.183 -0.184 1.00 0.00 H new ATOM 921 N ASP A 63 16.807 16.864 3.531 1.00 0.00 N ATOM 922 CA ASP A 63 16.434 16.352 4.852 1.00 0.00 C ATOM 923 C ASP A 63 17.387 15.213 5.250 1.00 0.00 C ATOM 924 O ASP A 63 17.836 14.485 4.357 1.00 0.00 O ATOM 925 CB ASP A 63 14.983 15.844 4.800 1.00 0.00 C ATOM 926 CG ASP A 63 14.267 16.024 6.143 1.00 0.00 C ATOM 927 OD1 ASP A 63 14.097 17.179 6.596 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.831 15.015 6.730 1.00 0.00 O ATOM 0 H ASP A 63 17.308 16.183 2.961 1.00 0.00 H new ATOM 0 HA ASP A 63 16.510 17.145 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.438 16.380 4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.977 14.790 4.524 1.00 0.00 H new ATOM 933 N PRO A 64 17.750 15.044 6.535 1.00 0.00 N ATOM 934 CA PRO A 64 18.683 14.001 6.950 1.00 0.00 C ATOM 935 C PRO A 64 17.979 12.645 7.066 1.00 0.00 C ATOM 936 O PRO A 64 16.796 12.567 7.407 1.00 0.00 O ATOM 937 CB PRO A 64 19.216 14.461 8.311 1.00 0.00 C ATOM 938 CG PRO A 64 18.047 15.249 8.900 1.00 0.00 C ATOM 939 CD PRO A 64 17.373 15.871 7.675 1.00 0.00 C ATOM 0 HA PRO A 64 19.485 13.862 6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.490 13.616 8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.106 15.081 8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.363 14.601 9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.390 16.012 9.599 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.290 15.894 7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.700 16.901 7.533 1.00 0.00 H new ATOM 947 N ILE A 65 18.738 11.563 6.862 1.00 0.00 N ATOM 948 CA ILE A 65 18.264 10.191 7.055 1.00 0.00 C ATOM 949 C ILE A 65 17.680 9.991 8.463 1.00 0.00 C ATOM 950 O ILE A 65 16.694 9.276 8.644 1.00 0.00 O ATOM 951 CB ILE A 65 19.404 9.211 6.729 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.831 7.791 6.601 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.592 9.277 7.714 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.867 6.838 6.015 1.00 0.00 C ATOM 0 H ILE A 65 19.709 11.617 6.555 1.00 0.00 H new ATOM 0 HA ILE A 65 17.442 9.987 6.369 1.00 0.00 H new ATOM 0 HB ILE A 65 19.834 9.515 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.514 7.433 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.945 7.808 5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.353 8.556 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.018 10.280 7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.244 9.041 8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.438 5.839 5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.164 7.187 5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.741 6.806 6.666 1.00 0.00 H new ATOM 966 N GLU A 66 18.271 10.672 9.450 1.00 0.00 N ATOM 967 CA GLU A 66 17.966 10.548 10.870 1.00 0.00 C ATOM 968 C GLU A 66 16.508 10.909 11.191 1.00 0.00 C ATOM 969 O GLU A 66 15.988 10.501 12.231 1.00 0.00 O ATOM 970 CB GLU A 66 18.915 11.455 11.677 1.00 0.00 C ATOM 971 CG GLU A 66 20.405 11.265 11.342 1.00 0.00 C ATOM 972 CD GLU A 66 21.307 12.001 12.349 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.554 13.217 12.181 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.793 11.368 13.314 1.00 0.00 O ATOM 0 H GLU A 66 19.007 11.354 9.268 1.00 0.00 H new ATOM 0 HA GLU A 66 18.109 9.504 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.644 12.496 11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.766 11.264 12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.647 10.202 11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.603 11.635 10.336 1.00 0.00 H new ATOM 981 N ASN A 67 15.848 11.679 10.318 1.00 0.00 N ATOM 982 CA ASN A 67 14.478 12.138 10.522 1.00 0.00 C ATOM 983 C ASN A 67 13.436 11.058 10.179 1.00 0.00 C ATOM 984 O ASN A 67 12.245 11.266 10.418 1.00 0.00 O ATOM 985 CB ASN A 67 14.255 13.409 9.693 1.00 0.00 C ATOM 986 CG ASN A 67 12.946 14.124 10.024 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.490 14.160 11.165 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.343 14.753 9.035 1.00 0.00 N ATOM 0 H ASN A 67 16.259 12.002 9.442 1.00 0.00 H new ATOM 0 HA ASN A 67 14.341 12.358 11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.087 14.093 9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.262 13.150 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.487 15.278 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.733 14.714 8.093 1.00 0.00 H new ATOM 995 N PHE A 68 13.846 9.901 9.643 1.00 0.00 N ATOM 996 CA PHE A 68 12.962 8.822 9.238 1.00 0.00 C ATOM 997 C PHE A 68 13.360 7.511 9.924 1.00 0.00 C ATOM 998 O PHE A 68 14.283 7.458 10.740 1.00 0.00 O ATOM 999 CB PHE A 68 13.034 8.668 7.715 1.00 0.00 C ATOM 1000 CG PHE A 68 12.710 9.915 6.923 1.00 0.00 C ATOM 1001 CD1 PHE A 68 11.381 10.176 6.547 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.734 10.813 6.566 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.068 11.362 5.859 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.423 11.982 5.855 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.089 12.267 5.516 1.00 0.00 C ATOM 0 H PHE A 68 14.831 9.693 9.478 1.00 0.00 H new ATOM 0 HA PHE A 68 11.941 9.060 9.536 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.038 8.338 7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.347 7.877 7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.602 9.467 6.786 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.757 10.602 6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.044 11.578 5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.210 12.664 5.568 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.848 13.180 4.992 1.00 0.00 H new ATOM 1015 N ASN A 69 12.661 6.439 9.550 1.00 0.00 N ATOM 1016 CA ASN A 69 12.878 5.068 9.985 1.00 0.00 C ATOM 1017 C ASN A 69 12.746 4.169 8.759 1.00 0.00 C ATOM 1018 O ASN A 69 11.741 4.220 8.048 1.00 0.00 O ATOM 1019 CB ASN A 69 11.883 4.651 11.093 1.00 0.00 C ATOM 1020 CG ASN A 69 10.455 5.193 10.972 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.855 5.592 11.966 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.877 5.252 9.782 1.00 0.00 N ATOM 0 H ASN A 69 11.882 6.514 8.896 1.00 0.00 H new ATOM 0 HA ASN A 69 13.872 4.973 10.422 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.834 3.562 11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.289 4.971 12.053 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.934 5.629 9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.375 4.921 8.956 1.00 0.00 H new ATOM 1029 N ALA A 70 13.758 3.337 8.526 1.00 0.00 N ATOM 1030 CA ALA A 70 13.845 2.440 7.381 1.00 0.00 C ATOM 1031 C ALA A 70 12.659 1.481 7.300 1.00 0.00 C ATOM 1032 O ALA A 70 12.293 1.072 6.204 1.00 0.00 O ATOM 1033 CB ALA A 70 15.155 1.643 7.465 1.00 0.00 C ATOM 0 H ALA A 70 14.563 3.268 9.148 1.00 0.00 H new ATOM 0 HA ALA A 70 13.826 3.050 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.227 0.970 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.001 2.331 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.169 1.062 8.387 1.00 0.00 H new ATOM 1039 N ASP A 71 12.044 1.148 8.438 1.00 0.00 N ATOM 1040 CA ASP A 71 10.930 0.205 8.528 1.00 0.00 C ATOM 1041 C ASP A 71 9.715 0.643 7.703 1.00 0.00 C ATOM 1042 O ASP A 71 8.902 -0.193 7.307 1.00 0.00 O ATOM 1043 CB ASP A 71 10.532 0.035 9.999 1.00 0.00 C ATOM 1044 CG ASP A 71 9.364 -0.951 10.169 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.566 -2.173 9.985 1.00 0.00 O ATOM 1046 OD2 ASP A 71 8.250 -0.518 10.543 1.00 0.00 O ATOM 0 H ASP A 71 12.314 1.536 9.342 1.00 0.00 H new ATOM 0 HA ASP A 71 11.267 -0.744 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.391 -0.319 10.569 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.252 1.004 10.413 1.00 0.00 H new ATOM 1051 N ASP A 72 9.586 1.945 7.421 1.00 0.00 N ATOM 1052 CA ASP A 72 8.457 2.498 6.693 1.00 0.00 C ATOM 1053 C ASP A 72 8.682 2.393 5.186 1.00 0.00 C ATOM 1054 O ASP A 72 7.737 2.530 4.416 1.00 0.00 O ATOM 1055 CB ASP A 72 8.229 3.951 7.122 1.00 0.00 C ATOM 1056 CG ASP A 72 6.950 4.558 6.529 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.862 3.952 6.655 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.001 5.698 6.014 1.00 0.00 O ATOM 0 H ASP A 72 10.274 2.645 7.698 1.00 0.00 H new ATOM 0 HA ASP A 72 7.562 1.922 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.177 3.999 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.085 4.553 6.817 1.00 0.00 H new ATOM 1063 N TYR A 73 9.917 2.114 4.755 1.00 0.00 N ATOM 1064 CA TYR A 73 10.329 2.087 3.375 1.00 0.00 C ATOM 1065 C TYR A 73 10.476 0.637 2.929 1.00 0.00 C ATOM 1066 O TYR A 73 11.163 -0.159 3.568 1.00 0.00 O ATOM 1067 CB TYR A 73 11.597 2.933 3.206 1.00 0.00 C ATOM 1068 CG TYR A 73 11.322 4.410 3.444 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.800 5.186 2.394 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.521 4.997 4.712 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.459 6.530 2.605 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.202 6.352 4.934 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.646 7.117 3.877 1.00 0.00 C ATOM 1074 OH TYR A 73 10.310 8.419 4.074 1.00 0.00 O ATOM 0 H TYR A 73 10.678 1.894 5.397 1.00 0.00 H new ATOM 0 HA TYR A 73 9.580 2.535 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.361 2.588 3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.996 2.794 2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.661 4.744 1.418 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.921 4.402 5.520 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.053 7.117 1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.379 6.803 5.899 1.00 0.00 H new ATOM 0 HH TYR A 73 10.749 8.751 4.885 1.00 0.00 H new ATOM 1084 N ASP A 74 9.799 0.281 1.835 1.00 0.00 N ATOM 1085 CA ASP A 74 9.938 -1.036 1.224 1.00 0.00 C ATOM 1086 C ASP A 74 11.330 -1.158 0.609 1.00 0.00 C ATOM 1087 O ASP A 74 12.013 -2.165 0.798 1.00 0.00 O ATOM 1088 CB ASP A 74 8.879 -1.234 0.134 1.00 0.00 C ATOM 1089 CG ASP A 74 9.011 -2.605 -0.555 1.00 0.00 C ATOM 1090 OD1 ASP A 74 9.851 -2.749 -1.468 1.00 0.00 O ATOM 1091 OD2 ASP A 74 8.184 -3.500 -0.260 1.00 0.00 O ATOM 0 H ASP A 74 9.144 0.896 1.353 1.00 0.00 H new ATOM 0 HA ASP A 74 9.800 -1.800 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.885 -1.143 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.973 -0.443 -0.610 1.00 0.00 H new ATOM 1096 N VAL A 75 11.775 -0.092 -0.062 1.00 0.00 N ATOM 1097 CA VAL A 75 12.970 -0.121 -0.885 1.00 0.00 C ATOM 1098 C VAL A 75 13.860 1.056 -0.544 1.00 0.00 C ATOM 1099 O VAL A 75 13.389 2.184 -0.389 1.00 0.00 O ATOM 1100 CB VAL A 75 12.569 -0.210 -2.370 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.447 0.706 -2.848 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.763 -0.041 -3.318 1.00 0.00 C ATOM 0 H VAL A 75 11.309 0.815 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 75 13.566 -1.010 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 75 12.169 -1.223 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.269 0.539 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.537 0.489 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.732 1.746 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.421 -0.113 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.222 0.934 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.496 -0.824 -3.123 1.00 0.00 H new ATOM 1112 N VAL A 76 15.155 0.781 -0.430 1.00 0.00 N ATOM 1113 CA VAL A 76 16.129 1.742 0.036 1.00 0.00 C ATOM 1114 C VAL A 76 17.266 1.815 -0.978 1.00 0.00 C ATOM 1115 O VAL A 76 17.925 0.825 -1.303 1.00 0.00 O ATOM 1116 CB VAL A 76 16.547 1.380 1.468 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.444 1.817 2.442 1.00 0.00 C ATOM 1118 CG2 VAL A 76 16.834 -0.108 1.707 1.00 0.00 C ATOM 0 H VAL A 76 15.555 -0.128 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 76 15.722 2.751 0.100 1.00 0.00 H new ATOM 0 HB VAL A 76 17.487 1.906 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.736 1.562 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.297 2.894 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.514 1.305 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.121 -0.261 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.939 -0.691 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.646 -0.431 1.056 1.00 0.00 H new ATOM 1128 N ILE A 77 17.462 3.014 -1.517 1.00 0.00 N ATOM 1129 CA ILE A 77 18.321 3.247 -2.647 1.00 0.00 C ATOM 1130 C ILE A 77 19.450 4.145 -2.209 1.00 0.00 C ATOM 1131 O ILE A 77 19.281 5.347 -2.024 1.00 0.00 O ATOM 1132 CB ILE A 77 17.486 3.832 -3.799 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.323 2.890 -4.175 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.402 4.103 -4.995 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.777 1.522 -4.710 1.00 0.00 C ATOM 0 H ILE A 77 17.014 3.860 -1.165 1.00 0.00 H new ATOM 0 HA ILE A 77 18.765 2.323 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 77 17.038 4.773 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.695 2.736 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 77 15.704 3.376 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 77 17.816 4.518 -5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.176 4.814 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 77 18.867 3.171 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.903 0.918 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.380 1.664 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.371 1.013 -3.951 1.00 0.00 H new ATOM 1147 N SER A 78 20.602 3.537 -2.004 1.00 0.00 N ATOM 1148 CA SER A 78 21.817 4.287 -1.819 1.00 0.00 C ATOM 1149 C SER A 78 22.218 4.821 -3.190 1.00 0.00 C ATOM 1150 O SER A 78 21.904 4.252 -4.242 1.00 0.00 O ATOM 1151 CB SER A 78 22.883 3.356 -1.277 1.00 0.00 C ATOM 1152 OG SER A 78 24.136 3.982 -1.085 1.00 0.00 O ATOM 0 H SER A 78 20.717 2.524 -1.962 1.00 0.00 H new ATOM 0 HA SER A 78 21.689 5.110 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.544 2.942 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.006 2.519 -1.964 1.00 0.00 H new ATOM 0 HG SER A 78 24.578 4.103 -1.952 1.00 0.00 H new ATOM 1158 N LEU A 79 22.941 5.926 -3.174 1.00 0.00 N ATOM 1159 CA LEU A 79 23.587 6.514 -4.326 1.00 0.00 C ATOM 1160 C LEU A 79 24.768 7.334 -3.801 1.00 0.00 C ATOM 1161 O LEU A 79 25.028 8.440 -4.259 1.00 0.00 O ATOM 1162 CB LEU A 79 22.583 7.273 -5.239 1.00 0.00 C ATOM 1163 CG LEU A 79 21.120 7.503 -4.777 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.006 8.766 -3.934 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.205 7.665 -6.000 1.00 0.00 C ATOM 0 H LEU A 79 23.099 6.459 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 79 23.981 5.757 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.013 8.253 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.541 6.737 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 79 20.821 6.639 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.970 8.904 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.640 8.673 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.326 9.626 -4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.179 7.826 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.534 8.520 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.251 6.764 -6.611 1.00 0.00 H new ATOM 1177 N CYS A 80 25.441 6.849 -2.750 1.00 0.00 N ATOM 1178 CA CYS A 80 26.440 7.625 -2.026 1.00 0.00 C ATOM 1179 C CYS A 80 27.550 8.131 -2.942 1.00 0.00 C ATOM 1180 O CYS A 80 27.879 9.313 -2.864 1.00 0.00 O ATOM 1181 CB CYS A 80 26.982 6.830 -0.837 1.00 0.00 C ATOM 1182 SG CYS A 80 25.656 6.507 0.364 1.00 0.00 S ATOM 0 H CYS A 80 25.304 5.907 -2.382 1.00 0.00 H new ATOM 0 HA CYS A 80 25.950 8.515 -1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.405 5.887 -1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.789 7.384 -0.358 1.00 0.00 H new ATOM 0 HG CYS A 80 24.927 5.514 -0.051 1.00 0.00 H new ATOM 1188 N GLY A 81 28.062 7.295 -3.838 1.00 0.00 N ATOM 1189 CA GLY A 81 29.219 7.640 -4.654 1.00 0.00 C ATOM 1190 C GLY A 81 30.474 7.106 -3.961 1.00 0.00 C ATOM 1191 O GLY A 81 30.405 6.682 -2.803 1.00 0.00 O ATOM 0 H GLY A 81 27.688 6.363 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 81 29.123 7.208 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.286 8.721 -4.780 1.00 0.00 H new ATOM 1195 N CYS A 82 31.594 7.070 -4.692 1.00 0.00 N ATOM 1196 CA CYS A 82 32.873 6.450 -4.318 1.00 0.00 C ATOM 1197 C CYS A 82 32.763 5.143 -3.509 1.00 0.00 C ATOM 1198 O CYS A 82 33.604 4.847 -2.656 1.00 0.00 O ATOM 1199 CB CYS A 82 33.839 7.484 -3.716 1.00 0.00 C ATOM 1200 SG CYS A 82 33.137 8.446 -2.339 1.00 0.00 S ATOM 0 H CYS A 82 31.635 7.499 -5.617 1.00 0.00 H new ATOM 0 HA CYS A 82 33.315 6.103 -5.252 1.00 0.00 H new ATOM 0 HB2 CYS A 82 34.733 6.969 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.154 8.171 -4.501 1.00 0.00 H new ATOM 0 HG CYS A 82 31.991 7.938 -1.995 1.00 0.00 H new ATOM 1206 N GLY A 83 31.732 4.343 -3.792 1.00 0.00 N ATOM 1207 CA GLY A 83 31.520 3.039 -3.186 1.00 0.00 C ATOM 1208 C GLY A 83 31.166 3.071 -1.697 1.00 0.00 C ATOM 1209 O GLY A 83 31.260 2.043 -1.024 1.00 0.00 O ATOM 0 H GLY A 83 31.008 4.596 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 83 30.720 2.530 -3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 83 32.423 2.442 -3.317 1.00 0.00 H new ATOM 1213 N VAL A 84 30.769 4.230 -1.175 1.00 0.00 N ATOM 1214 CA VAL A 84 30.201 4.378 0.152 1.00 0.00 C ATOM 1215 C VAL A 84 28.834 3.671 0.162 1.00 0.00 C ATOM 1216 O VAL A 84 28.210 3.458 -0.881 1.00 0.00 O ATOM 1217 CB VAL A 84 30.194 5.870 0.534 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.503 6.189 1.869 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.630 6.420 0.601 1.00 0.00 C ATOM 0 H VAL A 84 30.838 5.112 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 84 30.793 3.897 0.931 1.00 0.00 H new ATOM 0 HB VAL A 84 29.615 6.350 -0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.547 7.262 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.461 5.871 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 84 30.010 5.660 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.603 7.475 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.197 5.867 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 84 32.108 6.308 -0.372 1.00 0.00 H new ATOM 1229 N ASN A 85 28.392 3.271 1.351 1.00 0.00 N ATOM 1230 CA ASN A 85 27.198 2.460 1.586 1.00 0.00 C ATOM 1231 C ASN A 85 26.519 2.930 2.880 1.00 0.00 C ATOM 1232 O ASN A 85 26.927 3.943 3.451 1.00 0.00 O ATOM 1233 CB ASN A 85 27.602 0.972 1.625 1.00 0.00 C ATOM 1234 CG ASN A 85 26.444 0.053 1.253 1.00 0.00 C ATOM 1235 OD1 ASN A 85 25.623 -0.301 2.090 1.00 0.00 O ATOM 1236 ND2 ASN A 85 26.334 -0.333 -0.007 1.00 0.00 N ATOM 0 H ASN A 85 28.876 3.513 2.215 1.00 0.00 H new ATOM 0 HA ASN A 85 26.474 2.578 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 85 28.432 0.804 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.958 0.720 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.559 -0.932 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 85 27.024 -0.031 -0.695 1.00 0.00 H new ATOM 1243 N LEU A 86 25.490 2.221 3.349 1.00 0.00 N ATOM 1244 CA LEU A 86 24.607 2.635 4.434 1.00 0.00 C ATOM 1245 C LEU A 86 24.757 1.623 5.579 1.00 0.00 C ATOM 1246 O LEU A 86 24.183 0.539 5.497 1.00 0.00 O ATOM 1247 CB LEU A 86 23.146 2.706 3.931 1.00 0.00 C ATOM 1248 CG LEU A 86 22.878 3.588 2.694 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.373 3.627 2.403 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.385 5.024 2.844 1.00 0.00 C ATOM 0 H LEU A 86 25.242 1.308 2.967 1.00 0.00 H new ATOM 0 HA LEU A 86 24.875 3.629 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.815 1.693 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.523 3.069 4.748 1.00 0.00 H new ATOM 0 HG LEU A 86 23.430 3.134 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.188 4.251 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.013 2.616 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.847 4.042 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.162 5.585 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.892 5.497 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.462 5.014 3.009 1.00 0.00 H new ATOM 1262 N PRO A 87 25.535 1.920 6.637 1.00 0.00 N ATOM 1263 CA PRO A 87 25.600 1.082 7.832 1.00 0.00 C ATOM 1264 C PRO A 87 24.242 0.741 8.491 1.00 0.00 C ATOM 1265 O PRO A 87 24.093 -0.413 8.906 1.00 0.00 O ATOM 1266 CB PRO A 87 26.533 1.809 8.810 1.00 0.00 C ATOM 1267 CG PRO A 87 27.388 2.696 7.909 1.00 0.00 C ATOM 1268 CD PRO A 87 26.446 3.049 6.760 1.00 0.00 C ATOM 0 HA PRO A 87 25.973 0.100 7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.971 2.399 9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 87 27.145 1.106 9.376 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.733 3.587 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 87 28.275 2.171 7.554 1.00 0.00 H new ATOM 0 HD2 PRO A 87 25.902 3.970 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 87 27.000 3.208 5.835 1.00 0.00 H new ATOM 1276 N PRO A 88 23.273 1.674 8.653 1.00 0.00 N ATOM 1277 CA PRO A 88 22.033 1.390 9.383 1.00 0.00 C ATOM 1278 C PRO A 88 21.039 0.528 8.577 1.00 0.00 C ATOM 1279 O PRO A 88 21.322 0.097 7.462 1.00 0.00 O ATOM 1280 CB PRO A 88 21.476 2.767 9.772 1.00 0.00 C ATOM 1281 CG PRO A 88 22.004 3.700 8.685 1.00 0.00 C ATOM 1282 CD PRO A 88 23.352 3.102 8.341 1.00 0.00 C ATOM 0 HA PRO A 88 22.219 0.778 10.266 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.386 2.763 9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.819 3.072 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.342 3.725 7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.098 4.725 9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.585 3.255 7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 88 24.145 3.580 8.916 1.00 0.00 H new ATOM 1290 N GLU A 89 19.843 0.306 9.140 1.00 0.00 N ATOM 1291 CA GLU A 89 18.745 -0.548 8.661 1.00 0.00 C ATOM 1292 C GLU A 89 18.297 -0.263 7.220 1.00 0.00 C ATOM 1293 O GLU A 89 17.574 -1.050 6.607 1.00 0.00 O ATOM 1294 CB GLU A 89 17.528 -0.367 9.587 1.00 0.00 C ATOM 1295 CG GLU A 89 17.639 -1.017 10.972 1.00 0.00 C ATOM 1296 CD GLU A 89 18.736 -0.447 11.894 1.00 0.00 C ATOM 1297 OE1 GLU A 89 19.050 0.763 11.820 1.00 0.00 O ATOM 1298 OE2 GLU A 89 19.288 -1.213 12.717 1.00 0.00 O ATOM 0 H GLU A 89 19.597 0.759 10.020 1.00 0.00 H new ATOM 0 HA GLU A 89 19.132 -1.567 8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.353 0.700 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.650 -0.774 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.678 -0.918 11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.821 -2.083 10.839 1.00 0.00 H new ATOM 1305 N TRP A 90 18.734 0.856 6.656 1.00 0.00 N ATOM 1306 CA TRP A 90 18.576 1.244 5.268 1.00 0.00 C ATOM 1307 C TRP A 90 19.376 0.349 4.306 1.00 0.00 C ATOM 1308 O TRP A 90 19.491 0.677 3.129 1.00 0.00 O ATOM 1309 CB TRP A 90 18.975 2.715 5.152 1.00 0.00 C ATOM 1310 CG TRP A 90 18.252 3.624 6.101 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.597 3.862 7.384 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.010 4.359 5.905 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.732 4.756 7.960 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.691 5.058 7.109 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.099 4.463 4.838 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.525 5.826 7.239 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.902 5.184 4.976 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.619 5.868 6.167 1.00 0.00 C ATOM 0 H TRP A 90 19.240 1.559 7.194 1.00 0.00 H new ATOM 0 HA TRP A 90 17.536 1.112 4.969 1.00 0.00 H new ATOM 0 HB2 TRP A 90 20.047 2.804 5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.789 3.051 4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.439 3.410 7.888 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.844 5.146 8.896 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.324 3.981 3.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.327 6.375 8.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.195 5.212 4.160 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.701 6.429 6.260 1.00 0.00 H new ATOM 1329 N VAL A 91 19.914 -0.777 4.780 1.00 0.00 N ATOM 1330 CA VAL A 91 20.514 -1.828 3.969 1.00 0.00 C ATOM 1331 C VAL A 91 19.821 -3.188 4.196 1.00 0.00 C ATOM 1332 O VAL A 91 20.237 -4.187 3.609 1.00 0.00 O ATOM 1333 CB VAL A 91 22.049 -1.801 4.174 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.504 -2.458 5.486 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.831 -2.414 3.004 1.00 0.00 C ATOM 0 H VAL A 91 19.943 -0.985 5.778 1.00 0.00 H new ATOM 0 HA VAL A 91 20.349 -1.647 2.907 1.00 0.00 H new ATOM 0 HB VAL A 91 22.283 -0.738 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.590 -2.403 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.053 -1.936 6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 91 22.192 -3.502 5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.899 -2.362 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.536 -3.456 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.613 -1.860 2.091 1.00 0.00 H new ATOM 1345 N THR A 92 18.747 -3.251 5.000 1.00 0.00 N ATOM 1346 CA THR A 92 18.110 -4.502 5.419 1.00 0.00 C ATOM 1347 C THR A 92 16.581 -4.476 5.241 1.00 0.00 C ATOM 1348 O THR A 92 15.854 -5.188 5.938 1.00 0.00 O ATOM 1349 CB THR A 92 18.565 -4.858 6.854 1.00 0.00 C ATOM 1350 OG1 THR A 92 18.362 -3.777 7.744 1.00 0.00 O ATOM 1351 CG2 THR A 92 20.055 -5.205 6.928 1.00 0.00 C ATOM 0 H THR A 92 18.293 -2.420 5.380 1.00 0.00 H new ATOM 0 HA THR A 92 18.441 -5.305 4.760 1.00 0.00 H new ATOM 0 HB THR A 92 17.963 -5.722 7.136 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.966 -3.024 7.259 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.322 -5.447 7.957 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.261 -6.063 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.644 -4.352 6.591 1.00 0.00 H new ATOM 1359 N GLN A 93 16.085 -3.658 4.307 1.00 0.00 N ATOM 1360 CA GLN A 93 14.678 -3.676 3.894 1.00 0.00 C ATOM 1361 C GLN A 93 14.504 -4.631 2.702 1.00 0.00 C ATOM 1362 O GLN A 93 15.417 -5.395 2.375 1.00 0.00 O ATOM 1363 CB GLN A 93 14.160 -2.253 3.609 1.00 0.00 C ATOM 1364 CG GLN A 93 14.438 -1.253 4.743 1.00 0.00 C ATOM 1365 CD GLN A 93 13.967 -1.764 6.110 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.824 -2.177 6.294 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.852 -1.798 7.095 1.00 0.00 N ATOM 0 H GLN A 93 16.648 -2.964 3.816 1.00 0.00 H new ATOM 0 HA GLN A 93 14.064 -4.055 4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.621 -1.886 2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.086 -2.296 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.507 -1.046 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.939 -0.310 4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.800 -1.455 6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.585 -2.167 8.008 1.00 0.00 H new ATOM 1376 N GLU A 94 13.325 -4.629 2.074 1.00 0.00 N ATOM 1377 CA GLU A 94 12.953 -5.616 1.064 1.00 0.00 C ATOM 1378 C GLU A 94 13.832 -5.528 -0.181 1.00 0.00 C ATOM 1379 O GLU A 94 14.111 -6.558 -0.799 1.00 0.00 O ATOM 1380 CB GLU A 94 11.471 -5.487 0.676 1.00 0.00 C ATOM 1381 CG GLU A 94 10.494 -5.585 1.858 1.00 0.00 C ATOM 1382 CD GLU A 94 10.611 -6.922 2.614 1.00 0.00 C ATOM 1383 OE1 GLU A 94 10.165 -7.967 2.088 1.00 0.00 O ATOM 1384 OE2 GLU A 94 11.127 -6.942 3.754 1.00 0.00 O ATOM 0 H GLU A 94 12.599 -3.936 2.255 1.00 0.00 H new ATOM 0 HA GLU A 94 13.113 -6.595 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.321 -4.531 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.228 -6.267 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.682 -4.763 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.474 -5.467 1.492 1.00 0.00 H new ATOM 1391 N ILE A 95 14.301 -4.328 -0.528 1.00 0.00 N ATOM 1392 CA ILE A 95 15.178 -4.098 -1.665 1.00 0.00 C ATOM 1393 C ILE A 95 16.237 -3.110 -1.195 1.00 0.00 C ATOM 1394 O ILE A 95 15.899 -2.118 -0.544 1.00 0.00 O ATOM 1395 CB ILE A 95 14.367 -3.536 -2.842 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.317 -4.577 -3.295 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.296 -3.115 -4.010 1.00 0.00 C ATOM 1398 CD1 ILE A 95 12.701 -4.290 -4.660 1.00 0.00 C ATOM 0 H ILE A 95 14.075 -3.477 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 95 15.646 -5.019 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 95 13.843 -2.638 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 95 13.785 -5.561 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.521 -4.621 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.695 -2.721 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.988 -2.347 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.859 -3.981 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.976 -5.067 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.202 -3.321 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.485 -4.276 -5.417 1.00 0.00 H new ATOM 1410 N PHE A 96 17.490 -3.344 -1.581 1.00 0.00 N ATOM 1411 CA PHE A 96 18.579 -2.412 -1.423 1.00 0.00 C ATOM 1412 C PHE A 96 19.322 -2.409 -2.749 1.00 0.00 C ATOM 1413 O PHE A 96 19.609 -3.475 -3.301 1.00 0.00 O ATOM 1414 CB PHE A 96 19.532 -2.798 -0.283 1.00 0.00 C ATOM 1415 CG PHE A 96 20.766 -1.909 -0.282 1.00 0.00 C ATOM 1416 CD1 PHE A 96 20.717 -0.649 0.339 1.00 0.00 C ATOM 1417 CD2 PHE A 96 21.905 -2.267 -1.034 1.00 0.00 C ATOM 1418 CE1 PHE A 96 21.808 0.229 0.246 1.00 0.00 C ATOM 1419 CE2 PHE A 96 22.971 -1.361 -1.181 1.00 0.00 C ATOM 1420 CZ PHE A 96 22.932 -0.120 -0.520 1.00 0.00 C ATOM 0 H PHE A 96 17.773 -4.218 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 96 18.190 -1.428 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.016 -2.711 0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 96 19.830 -3.841 -0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.836 -0.355 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.959 -3.240 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.783 1.176 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.818 -1.618 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.765 0.563 -0.601 1.00 0.00 H new ATOM 1430 N GLU A 97 19.656 -1.219 -3.231 1.00 0.00 N ATOM 1431 CA GLU A 97 20.555 -1.013 -4.355 1.00 0.00 C ATOM 1432 C GLU A 97 21.406 0.205 -4.030 1.00 0.00 C ATOM 1433 O GLU A 97 20.960 1.109 -3.325 1.00 0.00 O ATOM 1434 CB GLU A 97 19.792 -0.788 -5.675 1.00 0.00 C ATOM 1435 CG GLU A 97 19.313 -2.125 -6.249 1.00 0.00 C ATOM 1436 CD GLU A 97 18.642 -1.990 -7.625 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.507 -1.469 -7.698 1.00 0.00 O ATOM 1438 OE2 GLU A 97 19.223 -2.474 -8.624 1.00 0.00 O ATOM 0 H GLU A 97 19.298 -0.348 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 97 21.167 -1.903 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.938 -0.133 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.438 -0.286 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 97 20.163 -2.802 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 97 18.609 -2.580 -5.552 1.00 0.00 H new ATOM 1445 N ASP A 98 22.612 0.233 -4.587 1.00 0.00 N ATOM 1446 CA ASP A 98 23.492 1.391 -4.586 1.00 0.00 C ATOM 1447 C ASP A 98 23.782 1.799 -6.024 1.00 0.00 C ATOM 1448 O ASP A 98 24.251 0.980 -6.818 1.00 0.00 O ATOM 1449 CB ASP A 98 24.799 1.158 -3.826 1.00 0.00 C ATOM 1450 CG ASP A 98 25.675 2.419 -3.921 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.274 3.462 -3.352 1.00 0.00 O ATOM 1452 OD2 ASP A 98 26.740 2.361 -4.573 1.00 0.00 O ATOM 0 H ASP A 98 23.014 -0.574 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 98 22.974 2.192 -4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 98 24.589 0.925 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.328 0.301 -4.244 1.00 0.00 H new ATOM 1457 N TRP A 99 23.507 3.060 -6.356 1.00 0.00 N ATOM 1458 CA TRP A 99 23.730 3.620 -7.681 1.00 0.00 C ATOM 1459 C TRP A 99 24.913 4.560 -7.594 1.00 0.00 C ATOM 1460 O TRP A 99 24.773 5.758 -7.351 1.00 0.00 O ATOM 1461 CB TRP A 99 22.465 4.235 -8.275 1.00 0.00 C ATOM 1462 CG TRP A 99 21.307 3.278 -8.324 1.00 0.00 C ATOM 1463 CD1 TRP A 99 20.475 3.120 -7.289 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.870 2.264 -9.295 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.416 2.317 -7.642 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.570 1.806 -8.908 1.00 0.00 C ATOM 1467 CE3 TRP A 99 21.425 1.655 -10.442 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.769 0.984 -9.721 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 20.685 0.725 -11.202 1.00 0.00 C ATOM 1470 CH2 TRP A 99 19.345 0.433 -10.877 1.00 0.00 C ATOM 0 H TRP A 99 23.115 3.731 -5.695 1.00 0.00 H new ATOM 0 HA TRP A 99 23.976 2.833 -8.394 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.182 5.107 -7.686 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.679 4.587 -9.284 1.00 0.00 H new ATOM 0 HD1 TRP A 99 20.615 3.561 -6.313 1.00 0.00 H new ATOM 0 HE1 TRP A 99 18.616 2.125 -7.039 1.00 0.00 H new ATOM 0 HE3 TRP A 99 22.432 1.905 -10.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.740 0.782 -9.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 21.150 0.231 -12.042 1.00 0.00 H new ATOM 0 HH2 TRP A 99 18.762 -0.214 -11.516 1.00 0.00 H new ATOM 1481 N GLN A 100 26.091 3.966 -7.755 1.00 0.00 N ATOM 1482 CA GLN A 100 27.335 4.701 -7.929 1.00 0.00 C ATOM 1483 C GLN A 100 27.120 5.649 -9.115 1.00 0.00 C ATOM 1484 O GLN A 100 26.693 5.219 -10.192 1.00 0.00 O ATOM 1485 CB GLN A 100 28.501 3.719 -8.134 1.00 0.00 C ATOM 1486 CG GLN A 100 29.865 4.418 -8.022 1.00 0.00 C ATOM 1487 CD GLN A 100 31.026 3.428 -8.138 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.773 3.431 -9.113 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.209 2.560 -7.154 1.00 0.00 N ATOM 0 H GLN A 100 26.208 2.953 -7.768 1.00 0.00 H new ATOM 0 HA GLN A 100 27.600 5.288 -7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.439 2.922 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.413 3.250 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN A 100 29.952 5.172 -8.804 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.928 4.940 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.584 2.564 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 100 31.975 1.888 -7.203 1.00 0.00 H new ATOM 1498 N LEU A 101 27.354 6.940 -8.894 1.00 0.00 N ATOM 1499 CA LEU A 101 27.007 8.032 -9.795 1.00 0.00 C ATOM 1500 C LEU A 101 28.048 9.130 -9.603 1.00 0.00 C ATOM 1501 O LEU A 101 28.655 9.226 -8.533 1.00 0.00 O ATOM 1502 CB LEU A 101 25.613 8.564 -9.400 1.00 0.00 C ATOM 1503 CG LEU A 101 24.420 7.757 -9.941 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.152 8.228 -9.231 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.275 7.857 -11.462 1.00 0.00 C ATOM 0 H LEU A 101 27.812 7.267 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 101 26.989 7.704 -10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.548 8.591 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.523 9.592 -9.750 1.00 0.00 H new ATOM 0 HG LEU A 101 24.595 6.702 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.296 7.665 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.254 8.065 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 101 23.000 9.290 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.417 7.268 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.127 8.899 -11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.178 7.476 -11.939 1.00 0.00 H new ATOM 1517 N GLU A 102 28.232 9.978 -10.616 1.00 0.00 N ATOM 1518 CA GLU A 102 29.226 11.042 -10.637 1.00 0.00 C ATOM 1519 C GLU A 102 28.724 12.277 -9.903 1.00 0.00 C ATOM 1520 O GLU A 102 28.572 13.339 -10.503 1.00 0.00 O ATOM 1521 CB GLU A 102 29.706 11.331 -12.073 1.00 0.00 C ATOM 1522 CG GLU A 102 30.517 10.164 -12.646 1.00 0.00 C ATOM 1523 CD GLU A 102 31.907 10.032 -11.994 1.00 0.00 C ATOM 1524 OE1 GLU A 102 32.858 10.716 -12.436 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.070 9.227 -11.051 1.00 0.00 O ATOM 0 H GLU A 102 27.674 9.939 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 102 30.107 10.705 -10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.845 11.524 -12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.316 12.235 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 102 29.963 9.236 -12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.635 10.302 -13.721 1.00 0.00 H new ATOM 1532 N ASP A 103 28.452 12.065 -8.610 1.00 0.00 N ATOM 1533 CA ASP A 103 28.149 13.036 -7.551 1.00 0.00 C ATOM 1534 C ASP A 103 28.053 14.470 -8.091 1.00 0.00 C ATOM 1535 O ASP A 103 29.079 15.158 -8.158 1.00 0.00 O ATOM 1536 CB ASP A 103 29.178 12.897 -6.418 1.00 0.00 C ATOM 1537 CG ASP A 103 29.287 14.122 -5.481 1.00 0.00 C ATOM 1538 OD1 ASP A 103 28.257 14.770 -5.183 1.00 0.00 O ATOM 1539 OD2 ASP A 103 30.405 14.380 -4.980 1.00 0.00 O ATOM 0 H ASP A 103 28.437 11.114 -8.242 1.00 0.00 H new ATOM 0 HA ASP A 103 27.162 12.815 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.922 12.023 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 103 30.157 12.707 -6.858 1.00 0.00 H new ATOM 1544 N PRO A 104 26.868 14.891 -8.588 1.00 0.00 N ATOM 1545 CA PRO A 104 26.757 16.148 -9.323 1.00 0.00 C ATOM 1546 C PRO A 104 27.119 17.429 -8.558 1.00 0.00 C ATOM 1547 O PRO A 104 27.171 18.493 -9.169 1.00 0.00 O ATOM 1548 CB PRO A 104 25.345 16.208 -9.882 1.00 0.00 C ATOM 1549 CG PRO A 104 24.965 14.741 -10.004 1.00 0.00 C ATOM 1550 CD PRO A 104 25.710 14.039 -8.872 1.00 0.00 C ATOM 0 HA PRO A 104 27.517 16.132 -10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.670 16.746 -9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.314 16.715 -10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.888 14.604 -9.911 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.254 14.339 -10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 104 25.076 13.930 -7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.021 13.037 -9.167 1.00 0.00 H new ATOM 1558 N ASP A 105 27.353 17.375 -7.247 1.00 0.00 N ATOM 1559 CA ASP A 105 27.649 18.548 -6.427 1.00 0.00 C ATOM 1560 C ASP A 105 28.935 19.250 -6.900 1.00 0.00 C ATOM 1561 O ASP A 105 30.052 18.845 -6.566 1.00 0.00 O ATOM 1562 CB ASP A 105 27.705 18.150 -4.947 1.00 0.00 C ATOM 1563 CG ASP A 105 27.739 19.361 -4.004 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.670 20.192 -4.067 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.860 19.418 -3.112 1.00 0.00 O ATOM 0 H ASP A 105 27.342 16.503 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 105 26.846 19.276 -6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.838 17.534 -4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.589 17.536 -4.774 1.00 0.00 H new ATOM 1570 N GLY A 106 28.763 20.282 -7.730 1.00 0.00 N ATOM 1571 CA GLY A 106 29.798 21.201 -8.189 1.00 0.00 C ATOM 1572 C GLY A 106 30.292 20.900 -9.607 1.00 0.00 C ATOM 1573 O GLY A 106 31.371 21.372 -9.975 1.00 0.00 O ATOM 0 H GLY A 106 27.847 20.508 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.410 22.219 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.642 21.159 -7.501 1.00 0.00 H new ATOM 1577 N GLN A 107 29.559 20.101 -10.392 1.00 0.00 N ATOM 1578 CA GLN A 107 30.048 19.579 -11.668 1.00 0.00 C ATOM 1579 C GLN A 107 29.607 20.421 -12.874 1.00 0.00 C ATOM 1580 O GLN A 107 28.872 21.404 -12.747 1.00 0.00 O ATOM 1581 CB GLN A 107 29.585 18.127 -11.847 1.00 0.00 C ATOM 1582 CG GLN A 107 29.851 17.200 -10.658 1.00 0.00 C ATOM 1583 CD GLN A 107 31.302 16.773 -10.438 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.248 17.309 -11.011 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.494 15.757 -9.613 1.00 0.00 N ATOM 0 H GLN A 107 28.613 19.800 -10.159 1.00 0.00 H new ATOM 0 HA GLN A 107 31.136 19.627 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.515 18.128 -12.052 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.078 17.712 -12.726 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.500 17.696 -9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.246 16.302 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.699 15.323 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.438 15.408 -9.445 1.00 0.00 H new ATOM 1594 N SER A 108 30.064 20.002 -14.054 1.00 0.00 N ATOM 1595 CA SER A 108 29.704 20.550 -15.355 1.00 0.00 C ATOM 1596 C SER A 108 28.310 20.062 -15.766 1.00 0.00 C ATOM 1597 O SER A 108 27.895 18.976 -15.351 1.00 0.00 O ATOM 1598 CB SER A 108 30.745 20.046 -16.362 1.00 0.00 C ATOM 1599 OG SER A 108 32.055 20.436 -15.972 1.00 0.00 O ATOM 0 H SER A 108 30.729 19.232 -14.128 1.00 0.00 H new ATOM 0 HA SER A 108 29.686 21.639 -15.321 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.691 18.960 -16.435 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.522 20.444 -17.352 1.00 0.00 H new ATOM 0 HG SER A 108 32.704 20.103 -16.627 1.00 0.00 H new ATOM 1605 N LEU A 109 27.609 20.801 -16.636 1.00 0.00 N ATOM 1606 CA LEU A 109 26.252 20.439 -17.067 1.00 0.00 C ATOM 1607 C LEU A 109 26.218 19.066 -17.713 1.00 0.00 C ATOM 1608 O LEU A 109 25.218 18.369 -17.593 1.00 0.00 O ATOM 1609 CB LEU A 109 25.668 21.431 -18.087 1.00 0.00 C ATOM 1610 CG LEU A 109 25.487 22.862 -17.558 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.009 23.776 -18.691 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.491 22.932 -16.395 1.00 0.00 C ATOM 0 H LEU A 109 27.963 21.660 -17.058 1.00 0.00 H new ATOM 0 HA LEU A 109 25.654 20.454 -16.156 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.320 21.460 -18.960 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.701 21.058 -18.424 1.00 0.00 H new ATOM 0 HG LEU A 109 26.456 23.194 -17.185 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.882 24.790 -18.312 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.748 23.779 -19.493 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.057 23.411 -19.076 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.398 23.964 -16.057 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.518 22.570 -16.727 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.848 22.312 -15.573 1.00 0.00 H new ATOM 1624 N GLU A 110 27.288 18.668 -18.398 1.00 0.00 N ATOM 1625 CA GLU A 110 27.330 17.378 -19.067 1.00 0.00 C ATOM 1626 C GLU A 110 27.425 16.237 -18.047 1.00 0.00 C ATOM 1627 O GLU A 110 26.824 15.183 -18.253 1.00 0.00 O ATOM 1628 CB GLU A 110 28.484 17.348 -20.072 1.00 0.00 C ATOM 1629 CG GLU A 110 28.276 18.369 -21.204 1.00 0.00 C ATOM 1630 CD GLU A 110 26.995 18.122 -22.025 1.00 0.00 C ATOM 1631 OE1 GLU A 110 27.002 17.242 -22.917 1.00 0.00 O ATOM 1632 OE2 GLU A 110 25.982 18.820 -21.791 1.00 0.00 O ATOM 0 H GLU A 110 28.137 19.224 -18.502 1.00 0.00 H new ATOM 0 HA GLU A 110 26.402 17.232 -19.620 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.421 17.560 -19.557 1.00 0.00 H new ATOM 0 HB3 GLU A 110 28.573 16.348 -20.495 1.00 0.00 H new ATOM 0 HG2 GLU A 110 28.237 19.371 -20.777 1.00 0.00 H new ATOM 0 HG3 GLU A 110 29.137 18.341 -21.871 1.00 0.00 H new ATOM 1639 N VAL A 111 28.111 16.448 -16.918 1.00 0.00 N ATOM 1640 CA VAL A 111 28.119 15.488 -15.813 1.00 0.00 C ATOM 1641 C VAL A 111 26.711 15.410 -15.227 1.00 0.00 C ATOM 1642 O VAL A 111 26.196 14.309 -15.030 1.00 0.00 O ATOM 1643 CB VAL A 111 29.152 15.878 -14.740 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.075 14.973 -13.498 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.579 15.834 -15.311 1.00 0.00 C ATOM 0 H VAL A 111 28.672 17.283 -16.747 1.00 0.00 H new ATOM 0 HA VAL A 111 28.412 14.507 -16.186 1.00 0.00 H new ATOM 0 HB VAL A 111 28.910 16.896 -14.435 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.823 15.289 -12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.083 15.049 -13.054 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.265 13.940 -13.788 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.291 16.113 -14.534 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.800 14.825 -15.660 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.659 16.532 -16.144 1.00 0.00 H new ATOM 1655 N PHE A 112 26.071 16.562 -15.000 1.00 0.00 N ATOM 1656 CA PHE A 112 24.700 16.603 -14.516 1.00 0.00 C ATOM 1657 C PHE A 112 23.773 15.848 -15.468 1.00 0.00 C ATOM 1658 O PHE A 112 23.038 14.984 -15.008 1.00 0.00 O ATOM 1659 CB PHE A 112 24.228 18.045 -14.337 1.00 0.00 C ATOM 1660 CG PHE A 112 24.495 18.649 -12.986 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.536 18.516 -11.961 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.672 19.381 -12.766 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.772 19.096 -10.706 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.907 19.957 -11.514 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.969 19.793 -10.487 1.00 0.00 C ATOM 0 H PHE A 112 26.490 17.480 -15.147 1.00 0.00 H new ATOM 0 HA PHE A 112 24.669 16.114 -13.543 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.710 18.664 -15.094 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.156 18.085 -14.528 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.622 17.969 -12.142 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.394 19.499 -13.561 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.040 19.007 -9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.808 20.526 -11.339 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.171 20.210 -9.511 1.00 0.00 H new ATOM 1675 N ARG A 113 23.821 16.111 -16.777 1.00 0.00 N ATOM 1676 CA ARG A 113 23.031 15.399 -17.785 1.00 0.00 C ATOM 1677 C ARG A 113 23.298 13.901 -17.758 1.00 0.00 C ATOM 1678 O ARG A 113 22.339 13.132 -17.817 1.00 0.00 O ATOM 1679 CB ARG A 113 23.320 15.983 -19.180 1.00 0.00 C ATOM 1680 CG ARG A 113 22.505 17.262 -19.409 1.00 0.00 C ATOM 1681 CD ARG A 113 23.163 18.241 -20.371 1.00 0.00 C ATOM 1682 NE ARG A 113 22.241 19.328 -20.724 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.580 20.416 -21.423 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.820 20.573 -21.884 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.661 21.345 -21.652 1.00 0.00 N ATOM 0 H ARG A 113 24.420 16.836 -17.172 1.00 0.00 H new ATOM 0 HA ARG A 113 21.976 15.538 -17.551 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.384 16.201 -19.276 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.075 15.247 -19.946 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.522 16.992 -19.795 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.346 17.758 -18.451 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.063 18.655 -19.916 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.475 17.716 -21.274 1.00 0.00 H new ATOM 0 HE ARG A 113 21.273 19.247 -20.414 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.525 19.858 -21.705 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.064 21.408 -22.416 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.713 21.223 -21.296 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.903 22.181 -22.184 1.00 0.00 H new ATOM 1699 N THR A 114 24.558 13.475 -17.643 1.00 0.00 N ATOM 1700 CA THR A 114 24.904 12.072 -17.588 1.00 0.00 C ATOM 1701 C THR A 114 24.238 11.447 -16.359 1.00 0.00 C ATOM 1702 O THR A 114 23.480 10.487 -16.496 1.00 0.00 O ATOM 1703 CB THR A 114 26.437 11.959 -17.576 1.00 0.00 C ATOM 1704 OG1 THR A 114 26.989 12.557 -18.735 1.00 0.00 O ATOM 1705 CG2 THR A 114 26.884 10.506 -17.543 1.00 0.00 C ATOM 0 H THR A 114 25.361 14.102 -17.586 1.00 0.00 H new ATOM 0 HA THR A 114 24.541 11.523 -18.457 1.00 0.00 H new ATOM 0 HB THR A 114 26.786 12.471 -16.680 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.261 13.476 -18.531 1.00 0.00 H new ATOM 0 HG21 THR A 114 27.973 10.460 -17.535 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.494 10.026 -16.645 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.506 9.989 -18.425 1.00 0.00 H new ATOM 1713 N VAL A 115 24.451 12.022 -15.173 1.00 0.00 N ATOM 1714 CA VAL A 115 23.886 11.493 -13.945 1.00 0.00 C ATOM 1715 C VAL A 115 22.365 11.555 -13.986 1.00 0.00 C ATOM 1716 O VAL A 115 21.739 10.573 -13.612 1.00 0.00 O ATOM 1717 CB VAL A 115 24.495 12.193 -12.724 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.745 11.878 -11.419 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.969 11.792 -12.575 1.00 0.00 C ATOM 0 H VAL A 115 25.017 12.861 -15.045 1.00 0.00 H new ATOM 0 HA VAL A 115 24.146 10.439 -13.851 1.00 0.00 H new ATOM 0 HB VAL A 115 24.407 13.265 -12.898 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.222 12.401 -10.590 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.709 12.205 -11.507 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.772 10.804 -11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.396 12.292 -11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.041 10.712 -12.444 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.518 12.086 -13.469 1.00 0.00 H new ATOM 1729 N ARG A 116 21.750 12.631 -14.481 1.00 0.00 N ATOM 1730 CA ARG A 116 20.301 12.731 -14.593 1.00 0.00 C ATOM 1731 C ARG A 116 19.781 11.566 -15.422 1.00 0.00 C ATOM 1732 O ARG A 116 18.828 10.911 -15.011 1.00 0.00 O ATOM 1733 CB ARG A 116 19.890 14.070 -15.234 1.00 0.00 C ATOM 1734 CG ARG A 116 18.358 14.216 -15.174 1.00 0.00 C ATOM 1735 CD ARG A 116 17.660 15.013 -16.282 1.00 0.00 C ATOM 1736 NE ARG A 116 18.149 14.677 -17.637 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.664 15.543 -18.525 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.640 16.847 -18.278 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.204 15.102 -19.655 1.00 0.00 N ATOM 0 H ARG A 116 22.247 13.457 -14.815 1.00 0.00 H new ATOM 0 HA ARG A 116 19.865 12.692 -13.595 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.366 14.898 -14.710 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.230 14.110 -16.269 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.929 13.214 -15.164 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.105 14.680 -14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.587 14.827 -16.233 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.808 16.078 -16.103 1.00 0.00 H new ATOM 0 HE ARG A 116 18.090 13.700 -17.923 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.229 17.194 -17.411 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.032 17.502 -18.955 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.229 14.101 -19.852 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.594 15.764 -20.326 1.00 0.00 H new ATOM 1753 N GLY A 117 20.395 11.311 -16.577 1.00 0.00 N ATOM 1754 CA GLY A 117 19.957 10.250 -17.461 1.00 0.00 C ATOM 1755 C GLY A 117 20.068 8.902 -16.765 1.00 0.00 C ATOM 1756 O GLY A 117 19.101 8.144 -16.792 1.00 0.00 O ATOM 0 H GLY A 117 21.202 11.833 -16.917 1.00 0.00 H new ATOM 0 HA2 GLY A 117 18.925 10.425 -17.767 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.562 10.250 -18.367 1.00 0.00 H new ATOM 1760 N GLN A 118 21.191 8.642 -16.085 1.00 0.00 N ATOM 1761 CA GLN A 118 21.410 7.424 -15.323 1.00 0.00 C ATOM 1762 C GLN A 118 20.331 7.309 -14.247 1.00 0.00 C ATOM 1763 O GLN A 118 19.535 6.382 -14.277 1.00 0.00 O ATOM 1764 CB GLN A 118 22.831 7.419 -14.727 1.00 0.00 C ATOM 1765 CG GLN A 118 23.931 7.281 -15.795 1.00 0.00 C ATOM 1766 CD GLN A 118 25.343 7.481 -15.232 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.611 8.402 -14.466 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.289 6.635 -15.607 1.00 0.00 N ATOM 0 H GLN A 118 21.981 9.287 -16.053 1.00 0.00 H new ATOM 0 HA GLN A 118 21.335 6.552 -15.973 1.00 0.00 H new ATOM 0 HB2 GLN A 118 22.988 8.342 -14.169 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.918 6.598 -14.016 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.865 6.293 -16.251 1.00 0.00 H new ATOM 0 HG3 GLN A 118 23.755 8.010 -16.586 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.066 5.870 -16.243 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.241 6.748 -15.260 1.00 0.00 H new ATOM 1777 N VAL A 119 20.262 8.274 -13.335 1.00 0.00 N ATOM 1778 CA VAL A 119 19.280 8.391 -12.257 1.00 0.00 C ATOM 1779 C VAL A 119 17.868 8.120 -12.772 1.00 0.00 C ATOM 1780 O VAL A 119 17.187 7.283 -12.186 1.00 0.00 O ATOM 1781 CB VAL A 119 19.388 9.773 -11.560 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.257 10.010 -10.552 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.695 9.893 -10.759 1.00 0.00 C ATOM 0 H VAL A 119 20.931 9.044 -13.327 1.00 0.00 H new ATOM 0 HA VAL A 119 19.500 7.631 -11.507 1.00 0.00 H new ATOM 0 HB VAL A 119 19.340 10.503 -12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.379 10.991 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.297 9.967 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.290 9.241 -9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.741 10.872 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.726 9.116 -9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.545 9.776 -11.431 1.00 0.00 H new ATOM 1793 N LYS A 120 17.411 8.773 -13.845 1.00 0.00 N ATOM 1794 CA LYS A 120 16.033 8.610 -14.291 1.00 0.00 C ATOM 1795 C LYS A 120 15.781 7.170 -14.720 1.00 0.00 C ATOM 1796 O LYS A 120 14.795 6.562 -14.306 1.00 0.00 O ATOM 1797 CB LYS A 120 15.738 9.615 -15.417 1.00 0.00 C ATOM 1798 CG LYS A 120 14.309 9.468 -15.962 1.00 0.00 C ATOM 1799 CD LYS A 120 13.971 10.521 -17.034 1.00 0.00 C ATOM 1800 CE LYS A 120 14.731 10.242 -18.342 1.00 0.00 C ATOM 1801 NZ LYS A 120 14.299 11.129 -19.452 1.00 0.00 N ATOM 0 H LYS A 120 17.970 9.411 -14.411 1.00 0.00 H new ATOM 0 HA LYS A 120 15.349 8.819 -13.468 1.00 0.00 H new ATOM 0 HB2 LYS A 120 15.881 10.629 -15.044 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.452 9.470 -16.228 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.187 8.471 -16.386 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.600 9.553 -15.139 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.898 10.518 -17.225 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.227 11.515 -16.666 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.800 10.372 -18.172 1.00 0.00 H new ATOM 0 HE3 LYS A 120 14.579 9.202 -18.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.841 10.901 -20.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.285 10.987 -19.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.468 12.121 -19.190 1.00 0.00 H new ATOM 1815 N GLU A 121 16.692 6.615 -15.511 1.00 0.00 N ATOM 1816 CA GLU A 121 16.648 5.230 -15.942 1.00 0.00 C ATOM 1817 C GLU A 121 16.646 4.299 -14.730 1.00 0.00 C ATOM 1818 O GLU A 121 15.911 3.319 -14.702 1.00 0.00 O ATOM 1819 CB GLU A 121 17.846 4.983 -16.884 1.00 0.00 C ATOM 1820 CG GLU A 121 18.680 3.719 -16.649 1.00 0.00 C ATOM 1821 CD GLU A 121 19.642 3.446 -17.819 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.219 2.841 -18.831 1.00 0.00 O ATOM 1823 OE2 GLU A 121 20.837 3.807 -17.733 1.00 0.00 O ATOM 0 H GLU A 121 17.495 7.128 -15.875 1.00 0.00 H new ATOM 0 HA GLU A 121 15.730 5.019 -16.490 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.470 4.953 -17.907 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.512 5.843 -16.815 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.250 3.826 -15.726 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.016 2.865 -16.517 1.00 0.00 H new ATOM 1830 N ARG A 122 17.464 4.599 -13.726 1.00 0.00 N ATOM 1831 CA ARG A 122 17.649 3.770 -12.542 1.00 0.00 C ATOM 1832 C ARG A 122 16.386 3.796 -11.687 1.00 0.00 C ATOM 1833 O ARG A 122 15.944 2.733 -11.260 1.00 0.00 O ATOM 1834 CB ARG A 122 18.928 4.217 -11.817 1.00 0.00 C ATOM 1835 CG ARG A 122 20.159 3.823 -12.661 1.00 0.00 C ATOM 1836 CD ARG A 122 21.458 4.473 -12.186 1.00 0.00 C ATOM 1837 NE ARG A 122 22.610 3.984 -12.975 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.904 4.029 -12.624 1.00 0.00 C ATOM 1839 NH1 ARG A 122 24.266 4.582 -11.472 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.831 3.524 -13.429 1.00 0.00 N ATOM 0 H ARG A 122 18.031 5.447 -13.714 1.00 0.00 H new ATOM 0 HA ARG A 122 17.795 2.722 -12.805 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.912 5.295 -11.659 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.983 3.751 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.274 2.739 -12.637 1.00 0.00 H new ATOM 0 HG3 ARG A 122 19.981 4.101 -13.700 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.382 5.556 -12.278 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.615 4.253 -11.130 1.00 0.00 H new ATOM 0 HE ARG A 122 22.398 3.569 -13.882 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.559 4.975 -10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 122 25.251 4.614 -11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 122 24.560 3.101 -14.317 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.814 3.559 -13.160 1.00 0.00 H new ATOM 1854 N VAL A 123 15.755 4.955 -11.484 1.00 0.00 N ATOM 1855 CA VAL A 123 14.434 5.053 -10.891 1.00 0.00 C ATOM 1856 C VAL A 123 13.440 4.184 -11.673 1.00 0.00 C ATOM 1857 O VAL A 123 12.739 3.392 -11.049 1.00 0.00 O ATOM 1858 CB VAL A 123 14.022 6.532 -10.818 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.575 6.687 -10.356 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.895 7.328 -9.834 1.00 0.00 C ATOM 0 H VAL A 123 16.158 5.858 -11.732 1.00 0.00 H new ATOM 0 HA VAL A 123 14.441 4.668 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 123 14.148 6.919 -11.829 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.317 7.745 -10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.913 6.179 -11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.460 6.248 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.567 8.367 -9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.801 6.900 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.937 7.282 -10.152 1.00 0.00 H new ATOM 1870 N GLU A 124 13.380 4.271 -13.009 1.00 0.00 N ATOM 1871 CA GLU A 124 12.464 3.439 -13.792 1.00 0.00 C ATOM 1872 C GLU A 124 12.764 1.949 -13.596 1.00 0.00 C ATOM 1873 O GLU A 124 11.851 1.132 -13.483 1.00 0.00 O ATOM 1874 CB GLU A 124 12.519 3.785 -15.291 1.00 0.00 C ATOM 1875 CG GLU A 124 11.893 5.139 -15.636 1.00 0.00 C ATOM 1876 CD GLU A 124 11.857 5.366 -17.158 1.00 0.00 C ATOM 1877 OE1 GLU A 124 12.860 5.839 -17.738 1.00 0.00 O ATOM 1878 OE2 GLU A 124 10.819 5.071 -17.794 1.00 0.00 O ATOM 0 H GLU A 124 13.953 4.906 -13.565 1.00 0.00 H new ATOM 0 HA GLU A 124 11.459 3.649 -13.427 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.559 3.782 -15.617 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.007 3.004 -15.854 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.881 5.187 -15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.463 5.937 -15.160 1.00 0.00 H new ATOM 1885 N ASN A 125 14.046 1.600 -13.520 1.00 0.00 N ATOM 1886 CA ASN A 125 14.517 0.239 -13.333 1.00 0.00 C ATOM 1887 C ASN A 125 14.057 -0.296 -11.983 1.00 0.00 C ATOM 1888 O ASN A 125 13.570 -1.418 -11.886 1.00 0.00 O ATOM 1889 CB ASN A 125 16.050 0.195 -13.437 1.00 0.00 C ATOM 1890 CG ASN A 125 16.528 -1.168 -13.900 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.663 -2.103 -13.115 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.792 -1.293 -15.190 1.00 0.00 N ATOM 0 H ASN A 125 14.804 2.279 -13.589 1.00 0.00 H new ATOM 0 HA ASN A 125 14.096 -0.393 -14.115 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.392 0.960 -14.134 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.490 0.428 -12.467 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.118 -2.186 -15.560 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.669 -0.496 -15.815 1.00 0.00 H new ATOM 1899 N LEU A 126 14.183 0.521 -10.936 1.00 0.00 N ATOM 1900 CA LEU A 126 13.804 0.137 -9.587 1.00 0.00 C ATOM 1901 C LEU A 126 12.289 0.070 -9.441 1.00 0.00 C ATOM 1902 O LEU A 126 11.800 -0.900 -8.875 1.00 0.00 O ATOM 1903 CB LEU A 126 14.565 0.944 -8.528 1.00 0.00 C ATOM 1904 CG LEU A 126 13.791 2.094 -7.880 1.00 0.00 C ATOM 1905 CD1 LEU A 126 13.025 1.630 -6.638 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.797 3.168 -7.482 1.00 0.00 C ATOM 0 H LEU A 126 14.552 1.469 -11.006 1.00 0.00 H new ATOM 0 HA LEU A 126 14.129 -0.885 -9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.889 0.261 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.466 1.351 -8.987 1.00 0.00 H new ATOM 0 HG LEU A 126 13.061 2.478 -8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 126 12.488 2.474 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.314 0.853 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.727 1.233 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 126 14.273 4.003 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.515 2.751 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 126 15.324 3.520 -8.369 1.00 0.00 H new ATOM 1918 N ILE A 127 11.544 1.015 -10.023 1.00 0.00 N ATOM 1919 CA ILE A 127 10.092 0.949 -10.145 1.00 0.00 C ATOM 1920 C ILE A 127 9.713 -0.395 -10.769 1.00 0.00 C ATOM 1921 O ILE A 127 8.773 -1.022 -10.292 1.00 0.00 O ATOM 1922 CB ILE A 127 9.555 2.147 -10.971 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.535 3.455 -10.146 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.129 1.859 -11.470 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.310 4.733 -10.977 1.00 0.00 C ATOM 0 H ILE A 127 11.945 1.861 -10.429 1.00 0.00 H new ATOM 0 HA ILE A 127 9.631 1.019 -9.160 1.00 0.00 H new ATOM 0 HB ILE A 127 10.232 2.277 -11.816 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.749 3.383 -9.394 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.480 3.547 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.767 2.709 -12.048 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.137 0.969 -12.100 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.471 1.694 -10.617 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.311 5.601 -10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.109 4.835 -11.711 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.351 4.669 -11.491 1.00 0.00 H new ATOM 1937 N ALA A 128 10.412 -0.863 -11.804 1.00 0.00 N ATOM 1938 CA ALA A 128 10.008 -2.062 -12.534 1.00 0.00 C ATOM 1939 C ALA A 128 10.012 -3.301 -11.627 1.00 0.00 C ATOM 1940 O ALA A 128 9.228 -4.229 -11.831 1.00 0.00 O ATOM 1941 CB ALA A 128 10.912 -2.272 -13.754 1.00 0.00 C ATOM 0 H ALA A 128 11.264 -0.427 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 128 8.985 -1.917 -12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.599 -3.169 -14.288 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.835 -1.410 -14.416 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.945 -2.387 -13.426 1.00 0.00 H new ATOM 1947 N LYS A 129 10.887 -3.307 -10.619 1.00 0.00 N ATOM 1948 CA LYS A 129 11.023 -4.370 -9.635 1.00 0.00 C ATOM 1949 C LYS A 129 9.832 -4.374 -8.672 1.00 0.00 C ATOM 1950 O LYS A 129 9.292 -5.439 -8.371 1.00 0.00 O ATOM 1951 CB LYS A 129 12.344 -4.177 -8.880 1.00 0.00 C ATOM 1952 CG LYS A 129 13.556 -4.271 -9.822 1.00 0.00 C ATOM 1953 CD LYS A 129 14.851 -3.854 -9.116 1.00 0.00 C ATOM 1954 CE LYS A 129 15.864 -3.228 -10.089 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.306 -4.142 -11.170 1.00 0.00 N ATOM 0 H LYS A 129 11.542 -2.541 -10.465 1.00 0.00 H new ATOM 0 HA LYS A 129 11.034 -5.337 -10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.342 -3.206 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.431 -4.932 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.654 -5.292 -10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.393 -3.634 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.619 -3.140 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.299 -4.725 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.420 -2.339 -10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.737 -2.899 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.508 -3.592 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.166 -4.644 -10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.554 -4.832 -11.370 1.00 0.00 H new ATOM 1969 N ILE A 130 9.430 -3.196 -8.185 1.00 0.00 N ATOM 1970 CA ILE A 130 8.406 -3.022 -7.160 1.00 0.00 C ATOM 1971 C ILE A 130 6.976 -2.993 -7.710 1.00 0.00 C ATOM 1972 O ILE A 130 6.045 -3.365 -6.994 1.00 0.00 O ATOM 1973 CB ILE A 130 8.692 -1.757 -6.322 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.947 -0.470 -7.124 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.830 -2.074 -5.336 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.516 0.710 -6.324 1.00 0.00 C ATOM 0 H ILE A 130 9.823 -2.311 -8.506 1.00 0.00 H new ATOM 0 HA ILE A 130 8.463 -3.905 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 130 7.775 -1.517 -5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.636 -0.700 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.008 -0.157 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.047 -1.191 -4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.528 -2.893 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.723 -2.363 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.657 1.564 -6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.821 0.979 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.474 0.426 -5.889 1.00 0.00 H new ATOM 1988 N SER A 131 6.815 -2.536 -8.950 1.00 0.00 N ATOM 1989 CA SER A 131 5.549 -2.427 -9.671 1.00 0.00 C ATOM 1990 C SER A 131 4.712 -3.701 -9.512 1.00 0.00 C ATOM 1991 O SER A 131 3.523 -3.590 -9.146 1.00 0.00 O ATOM 1992 CB SER A 131 5.815 -2.144 -11.152 1.00 0.00 C ATOM 1993 OG SER A 131 6.373 -0.857 -11.294 1.00 0.00 O ATOM 1994 OXT SER A 131 5.229 -4.809 -9.777 1.00 0.00 O ATOM 0 H SER A 131 7.606 -2.215 -9.508 1.00 0.00 H new ATOM 0 HA SER A 131 4.982 -1.599 -9.246 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.494 -2.893 -11.560 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.886 -2.214 -11.719 1.00 0.00 H new ATOM 0 HG SER A 131 7.348 -0.912 -11.207 1.00 0.00 H new TER 2000 SER A 131