USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 MET CE :methyl -160:sc= -0.161 (180deg=-0.969) USER MOD Set 1.2: A 33 THR OG1 : rot 162:sc= 1.07 USER MOD Set 1.3: A 35 CYS SG : rot -80:sc= 1.06 USER MOD Set 1.4: A 73 TYR OH : rot -172:sc= 1.91 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 152:sc= 1.24 (180deg=-0.1) USER MOD Set 2.2: A 131 SER OG : rot 57:sc= 2.3 USER MOD Set 3.1: A 16 GLN : amide:sc= 1.6 K(o=5.1,f=-2.8) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 176:sc= 1.14 (180deg=0) USER MOD Set 3.3: A 60 GLN : amide:sc= 1.85 K(o=5.1,f=-1.6) USER MOD Set 3.4: A 62 SER OG : rot -149:sc= 0.529 USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.258) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.00729 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= 1.08 (180deg=0.871) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 1.19 (180deg=0.999) USER MOD Single : A 8 CYS SG : rot 180:sc= 0.109 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.734 K(o=0.73,f=-3.4!) USER MOD Single : A 12 SER OG : rot -74:sc= 1.05 USER MOD Single : A 13 CYS SG : rot -80:sc= -0.481 USER MOD Single : A 15 SER OG : rot -110:sc= -0.187 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.13 (180deg=-0.13) USER MOD Single : A 24 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 34 SER OG : rot -79:sc= 1.27 USER MOD Single : A 39 SER OG : rot 180:sc= 0.112 USER MOD Single : A 40 SER OG : rot 17:sc= 0.812 USER MOD Single : A 43 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.8) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 141:sc= -0.671 (180deg=-1.21) USER MOD Single : A 50 MET CE :methyl -128:sc= -3.89 (180deg=-13.5!) USER MOD Single : A 58 SER OG : rot 101:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.09 K(o=1.1,f=-0.46) USER MOD Single : A 69 ASN : amide:sc= 1.05 K(o=1.1,f=-0.019) USER MOD Single : A 78 SER OG : rot -100:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.641 K(o=0.64,f=0) USER MOD Single : A 92 THR OG1 : rot -6:sc= 0.0828 USER MOD Single : A 93 GLN : amide:sc= 1 K(o=1,f=-0.067) USER MOD Single : A 100 GLN : amide:sc= 0.961 K(o=0.96,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.983 K(o=0.98,f=-1.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 118 GLN : amide:sc= 0.905 K(o=0.9,f=-5.2!) USER MOD Single : A 120 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.18) USER MOD Single : A 125 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.302 -0.027 -0.404 1.00 0.00 N ATOM 2 CA MET A 1 2.118 0.743 -1.375 1.00 0.00 C ATOM 3 C MET A 1 3.606 0.470 -1.155 1.00 0.00 C ATOM 4 O MET A 1 4.082 0.378 -0.022 1.00 0.00 O ATOM 5 CB MET A 1 1.802 2.252 -1.314 1.00 0.00 C ATOM 6 CG MET A 1 2.723 3.112 -2.195 1.00 0.00 C ATOM 7 SD MET A 1 2.205 4.845 -2.330 1.00 0.00 S ATOM 8 CE MET A 1 1.010 4.768 -3.691 1.00 0.00 C ATOM 0 H1 MET A 1 0.817 -0.803 -0.897 1.00 0.00 H new ATOM 0 H2 MET A 1 1.920 -0.419 0.335 1.00 0.00 H new ATOM 0 H3 MET A 1 0.597 0.601 0.032 1.00 0.00 H new ATOM 0 HA MET A 1 1.856 0.407 -2.378 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.768 2.410 -1.621 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.883 2.590 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.734 3.076 -1.790 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.764 2.677 -3.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.340 5.626 -3.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.541 4.783 -4.643 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.430 3.848 -3.614 1.00 0.00 H new ATOM 18 N LYS A 2 4.357 0.361 -2.255 1.00 0.00 N ATOM 19 CA LYS A 2 5.807 0.204 -2.225 1.00 0.00 C ATOM 20 C LYS A 2 6.425 1.573 -1.960 1.00 0.00 C ATOM 21 O LYS A 2 6.155 2.524 -2.694 1.00 0.00 O ATOM 22 CB LYS A 2 6.273 -0.371 -3.575 1.00 0.00 C ATOM 23 CG LYS A 2 5.963 -1.868 -3.739 1.00 0.00 C ATOM 24 CD LYS A 2 6.987 -2.715 -2.981 1.00 0.00 C ATOM 25 CE LYS A 2 6.752 -4.219 -3.168 1.00 0.00 C ATOM 26 NZ LYS A 2 7.820 -5.016 -2.517 1.00 0.00 N ATOM 0 H LYS A 2 3.968 0.380 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 2 6.118 -0.483 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.794 0.183 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.347 -0.216 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.961 -2.080 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.974 -2.134 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.990 -2.461 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.942 -2.472 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.784 -4.493 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.717 -4.454 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.542 -6.018 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.705 -4.913 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.962 -4.677 -1.544 1.00 0.00 H new ATOM 40 N LYS A 3 7.242 1.681 -0.914 1.00 0.00 N ATOM 41 CA LYS A 3 7.886 2.935 -0.538 1.00 0.00 C ATOM 42 C LYS A 3 9.351 2.887 -0.892 1.00 0.00 C ATOM 43 O LYS A 3 10.051 1.991 -0.425 1.00 0.00 O ATOM 44 CB LYS A 3 7.668 3.216 0.958 1.00 0.00 C ATOM 45 CG LYS A 3 6.443 4.132 1.060 1.00 0.00 C ATOM 46 CD LYS A 3 6.055 4.411 2.510 1.00 0.00 C ATOM 47 CE LYS A 3 5.026 5.540 2.579 1.00 0.00 C ATOM 48 NZ LYS A 3 4.620 5.813 3.977 1.00 0.00 N ATOM 0 H LYS A 3 7.476 0.899 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 3 7.436 3.757 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.504 2.288 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.546 3.693 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.652 5.074 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.602 3.671 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.645 3.509 2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.941 4.682 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.444 6.444 2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.149 5.273 1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.014 6.658 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.094 4.998 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.467 5.975 4.559 1.00 0.00 H new ATOM 62 N VAL A 4 9.819 3.856 -1.669 1.00 0.00 N ATOM 63 CA VAL A 4 11.224 3.987 -2.005 1.00 0.00 C ATOM 64 C VAL A 4 11.858 5.133 -1.227 1.00 0.00 C ATOM 65 O VAL A 4 11.265 6.203 -1.065 1.00 0.00 O ATOM 66 CB VAL A 4 11.368 4.122 -3.532 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.705 5.356 -4.151 1.00 0.00 C ATOM 68 CG2 VAL A 4 12.842 4.091 -3.955 1.00 0.00 C ATOM 0 H VAL A 4 9.227 4.576 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 4 11.771 3.093 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 4 10.829 3.257 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.866 5.354 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.635 5.336 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.141 6.258 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.912 4.188 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.374 4.916 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.289 3.146 -3.646 1.00 0.00 H new ATOM 78 N MET A 5 13.089 4.905 -0.784 1.00 0.00 N ATOM 79 CA MET A 5 13.940 5.940 -0.214 1.00 0.00 C ATOM 80 C MET A 5 15.192 6.061 -1.078 1.00 0.00 C ATOM 81 O MET A 5 15.736 5.041 -1.502 1.00 0.00 O ATOM 82 CB MET A 5 14.283 5.608 1.244 1.00 0.00 C ATOM 83 CG MET A 5 15.248 6.628 1.859 1.00 0.00 C ATOM 84 SD MET A 5 14.624 8.330 1.957 1.00 0.00 S ATOM 85 CE MET A 5 13.863 8.293 3.599 1.00 0.00 C ATOM 0 H MET A 5 13.528 3.985 -0.811 1.00 0.00 H new ATOM 0 HA MET A 5 13.421 6.898 -0.206 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.366 5.577 1.833 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.728 4.614 1.294 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.508 6.296 2.864 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.169 6.630 1.275 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.141 9.105 3.684 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.355 7.339 3.743 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.634 8.412 4.360 1.00 0.00 H new ATOM 95 N PHE A 6 15.685 7.286 -1.269 1.00 0.00 N ATOM 96 CA PHE A 6 16.978 7.574 -1.882 1.00 0.00 C ATOM 97 C PHE A 6 17.850 8.250 -0.815 1.00 0.00 C ATOM 98 O PHE A 6 17.366 9.154 -0.136 1.00 0.00 O ATOM 99 CB PHE A 6 16.814 8.458 -3.119 1.00 0.00 C ATOM 100 CG PHE A 6 15.949 7.827 -4.191 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.515 6.936 -5.128 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.573 8.115 -4.236 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.714 6.350 -6.127 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.780 7.498 -5.220 1.00 0.00 C ATOM 105 CZ PHE A 6 14.344 6.637 -6.165 1.00 0.00 C ATOM 0 H PHE A 6 15.179 8.128 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 6 17.454 6.655 -2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.376 9.411 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.797 8.675 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.568 6.702 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.132 8.799 -3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.152 5.686 -6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.718 7.693 -5.246 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.721 6.192 -6.927 1.00 0.00 H new ATOM 115 N VAL A 7 19.114 7.857 -0.650 1.00 0.00 N ATOM 116 CA VAL A 7 19.968 8.316 0.448 1.00 0.00 C ATOM 117 C VAL A 7 21.354 8.633 -0.111 1.00 0.00 C ATOM 118 O VAL A 7 21.994 7.746 -0.668 1.00 0.00 O ATOM 119 CB VAL A 7 20.100 7.221 1.537 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.751 7.822 2.791 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.779 6.541 1.923 1.00 0.00 C ATOM 0 H VAL A 7 19.579 7.204 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 7 19.521 9.202 0.899 1.00 0.00 H new ATOM 0 HB VAL A 7 20.722 6.440 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.844 7.052 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.740 8.205 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.132 8.636 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.967 5.790 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.085 7.287 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.346 6.062 1.045 1.00 0.00 H new ATOM 131 N CYS A 8 21.860 9.855 0.065 1.00 0.00 N ATOM 132 CA CYS A 8 23.178 10.248 -0.433 1.00 0.00 C ATOM 133 C CYS A 8 24.030 10.750 0.717 1.00 0.00 C ATOM 134 O CYS A 8 23.506 11.241 1.711 1.00 0.00 O ATOM 135 CB CYS A 8 22.998 11.308 -1.537 1.00 0.00 C ATOM 136 SG CYS A 8 24.552 11.971 -2.175 1.00 0.00 S ATOM 0 H CYS A 8 21.367 10.600 0.557 1.00 0.00 H new ATOM 0 HA CYS A 8 23.697 9.394 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.436 10.868 -2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.398 12.129 -1.145 1.00 0.00 H new ATOM 0 HG CYS A 8 24.302 12.851 -3.098 1.00 0.00 H new ATOM 142 N LYS A 9 25.356 10.714 0.579 1.00 0.00 N ATOM 143 CA LYS A 9 26.243 11.261 1.601 1.00 0.00 C ATOM 144 C LYS A 9 26.159 12.795 1.735 1.00 0.00 C ATOM 145 O LYS A 9 26.792 13.346 2.634 1.00 0.00 O ATOM 146 CB LYS A 9 27.639 10.616 1.513 1.00 0.00 C ATOM 147 CG LYS A 9 28.558 11.011 0.349 1.00 0.00 C ATOM 148 CD LYS A 9 29.799 10.098 0.424 1.00 0.00 C ATOM 149 CE LYS A 9 30.828 10.284 -0.696 1.00 0.00 C ATOM 150 NZ LYS A 9 31.626 11.530 -0.557 1.00 0.00 N ATOM 0 H LYS A 9 25.836 10.313 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 9 25.884 10.965 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.166 10.839 2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.503 9.535 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.046 10.888 -0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.846 12.060 0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 9 30.295 10.267 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 9 29.465 9.060 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 9 31.502 9.428 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 9 30.312 10.296 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.303 11.598 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.991 12.353 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 32.144 11.512 0.345 1.00 0.00 H new ATOM 164 N ARG A 10 25.352 13.482 0.903 1.00 0.00 N ATOM 165 CA ARG A 10 25.008 14.901 1.078 1.00 0.00 C ATOM 166 C ARG A 10 23.543 15.262 0.792 1.00 0.00 C ATOM 167 O ARG A 10 23.176 16.407 1.024 1.00 0.00 O ATOM 168 CB ARG A 10 25.982 15.813 0.306 1.00 0.00 C ATOM 169 CG ARG A 10 26.059 15.640 -1.228 1.00 0.00 C ATOM 170 CD ARG A 10 26.710 16.874 -1.875 1.00 0.00 C ATOM 171 NE ARG A 10 27.974 17.282 -1.226 1.00 0.00 N ATOM 172 CZ ARG A 10 29.227 17.054 -1.643 1.00 0.00 C ATOM 173 NH1 ARG A 10 29.479 16.406 -2.775 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.244 17.487 -0.904 1.00 0.00 N ATOM 0 H ARG A 10 24.917 13.060 0.082 1.00 0.00 H new ATOM 0 HA ARG A 10 25.125 15.084 2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.710 16.848 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.981 15.658 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.635 14.747 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.058 15.494 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 10 26.902 16.664 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.007 17.706 -1.839 1.00 0.00 H new ATOM 0 HE ARG A 10 27.881 17.801 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.708 16.068 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 10 30.443 16.247 -3.068 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.065 17.985 -0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 10 31.203 17.321 -1.209 1.00 0.00 H new ATOM 188 N ASN A 11 22.691 14.342 0.313 1.00 0.00 N ATOM 189 CA ASN A 11 21.300 14.562 -0.160 1.00 0.00 C ATOM 190 C ASN A 11 21.181 15.467 -1.400 1.00 0.00 C ATOM 191 O ASN A 11 20.434 15.115 -2.312 1.00 0.00 O ATOM 192 CB ASN A 11 20.399 15.123 0.966 1.00 0.00 C ATOM 193 CG ASN A 11 18.883 15.086 0.722 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.125 15.332 1.648 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.367 14.787 -0.460 1.00 0.00 N ATOM 0 H ASN A 11 22.964 13.362 0.238 1.00 0.00 H new ATOM 0 HA ASN A 11 20.958 13.571 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.610 14.566 1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.689 16.158 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.355 14.765 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.982 14.578 -1.247 1.00 0.00 H new ATOM 202 N SER A 12 21.907 16.586 -1.446 1.00 0.00 N ATOM 203 CA SER A 12 21.816 17.706 -2.380 1.00 0.00 C ATOM 204 C SER A 12 21.430 17.448 -3.835 1.00 0.00 C ATOM 205 O SER A 12 20.730 18.285 -4.406 1.00 0.00 O ATOM 206 CB SER A 12 23.151 18.456 -2.351 1.00 0.00 C ATOM 207 OG SER A 12 23.432 18.894 -1.041 1.00 0.00 O ATOM 0 H SER A 12 22.646 16.744 -0.761 1.00 0.00 H new ATOM 0 HA SER A 12 20.958 18.267 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.951 17.805 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 12 23.112 19.310 -3.028 1.00 0.00 H new ATOM 0 HG SER A 12 22.860 19.659 -0.822 1.00 0.00 H new ATOM 213 N CYS A 13 21.881 16.360 -4.462 1.00 0.00 N ATOM 214 CA CYS A 13 21.725 16.189 -5.904 1.00 0.00 C ATOM 215 C CYS A 13 21.273 14.782 -6.271 1.00 0.00 C ATOM 216 O CYS A 13 20.199 14.647 -6.858 1.00 0.00 O ATOM 217 CB CYS A 13 23.028 16.594 -6.617 1.00 0.00 C ATOM 218 SG CYS A 13 24.506 15.944 -5.776 1.00 0.00 S ATOM 0 H CYS A 13 22.355 15.588 -3.994 1.00 0.00 H new ATOM 0 HA CYS A 13 20.929 16.849 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.007 16.228 -7.644 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.090 17.681 -6.667 1.00 0.00 H new ATOM 0 HG CYS A 13 24.793 16.699 -4.757 1.00 0.00 H new ATOM 224 N ARG A 14 22.048 13.740 -5.931 1.00 0.00 N ATOM 225 CA ARG A 14 21.746 12.390 -6.425 1.00 0.00 C ATOM 226 C ARG A 14 20.352 11.957 -5.948 1.00 0.00 C ATOM 227 O ARG A 14 19.522 11.568 -6.770 1.00 0.00 O ATOM 228 CB ARG A 14 22.833 11.362 -6.055 1.00 0.00 C ATOM 229 CG ARG A 14 24.087 11.593 -6.908 1.00 0.00 C ATOM 230 CD ARG A 14 25.250 10.674 -6.524 1.00 0.00 C ATOM 231 NE ARG A 14 25.892 11.108 -5.278 1.00 0.00 N ATOM 232 CZ ARG A 14 26.903 10.502 -4.651 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.548 9.471 -5.188 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.311 11.003 -3.496 1.00 0.00 N ATOM 0 H ARG A 14 22.870 13.803 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 14 21.742 12.427 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.082 11.449 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.457 10.351 -6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.839 11.437 -7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.403 12.631 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.886 9.653 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.986 10.662 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 14 25.529 11.959 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 14 27.274 9.120 -6.106 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.316 9.031 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.855 11.829 -3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.081 10.563 -2.993 1.00 0.00 H new ATOM 248 N SER A 15 20.066 12.088 -4.645 1.00 0.00 N ATOM 249 CA SER A 15 18.773 11.698 -4.086 1.00 0.00 C ATOM 250 C SER A 15 17.667 12.625 -4.592 1.00 0.00 C ATOM 251 O SER A 15 16.565 12.172 -4.891 1.00 0.00 O ATOM 252 CB SER A 15 18.794 11.769 -2.554 1.00 0.00 C ATOM 253 OG SER A 15 20.057 11.518 -1.987 1.00 0.00 O ATOM 0 H SER A 15 20.720 12.464 -3.958 1.00 0.00 H new ATOM 0 HA SER A 15 18.578 10.674 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.457 12.757 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.079 11.048 -2.157 1.00 0.00 H new ATOM 0 HG SER A 15 20.042 10.655 -1.523 1.00 0.00 H new ATOM 259 N GLN A 16 17.956 13.929 -4.665 1.00 0.00 N ATOM 260 CA GLN A 16 16.969 14.950 -4.997 1.00 0.00 C ATOM 261 C GLN A 16 16.399 14.730 -6.395 1.00 0.00 C ATOM 262 O GLN A 16 15.180 14.735 -6.576 1.00 0.00 O ATOM 263 CB GLN A 16 17.629 16.336 -4.880 1.00 0.00 C ATOM 264 CG GLN A 16 17.663 16.832 -3.431 1.00 0.00 C ATOM 265 CD GLN A 16 16.277 17.120 -2.846 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.258 17.135 -3.533 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.211 17.343 -1.550 1.00 0.00 N ATOM 0 H GLN A 16 18.889 14.303 -4.493 1.00 0.00 H new ATOM 0 HA GLN A 16 16.135 14.886 -4.299 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.645 16.288 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.083 17.051 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.161 16.085 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.264 17.740 -3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.061 17.329 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.310 17.530 -1.110 1.00 0.00 H new ATOM 276 N MET A 17 17.274 14.492 -7.374 1.00 0.00 N ATOM 277 CA MET A 17 16.840 14.197 -8.728 1.00 0.00 C ATOM 278 C MET A 17 16.067 12.886 -8.773 1.00 0.00 C ATOM 279 O MET A 17 15.016 12.816 -9.411 1.00 0.00 O ATOM 280 CB MET A 17 18.048 14.143 -9.665 1.00 0.00 C ATOM 281 CG MET A 17 18.492 15.559 -10.049 1.00 0.00 C ATOM 282 SD MET A 17 19.485 15.683 -11.560 1.00 0.00 S ATOM 283 CE MET A 17 21.079 15.120 -10.922 1.00 0.00 C ATOM 0 H MET A 17 18.286 14.499 -7.248 1.00 0.00 H new ATOM 0 HA MET A 17 16.173 14.992 -9.061 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.870 13.617 -9.179 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.795 13.579 -10.563 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.604 16.180 -10.167 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.066 15.978 -9.222 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.817 15.132 -11.724 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.404 15.782 -10.120 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.979 14.105 -10.537 1.00 0.00 H new ATOM 293 N ALA A 18 16.555 11.859 -8.070 1.00 0.00 N ATOM 294 CA ALA A 18 15.884 10.573 -8.033 1.00 0.00 C ATOM 295 C ALA A 18 14.452 10.715 -7.512 1.00 0.00 C ATOM 296 O ALA A 18 13.551 10.065 -8.042 1.00 0.00 O ATOM 297 CB ALA A 18 16.687 9.590 -7.184 1.00 0.00 C ATOM 0 H ALA A 18 17.414 11.902 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 18 15.823 10.182 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.176 8.627 -7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.680 9.464 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.778 9.976 -6.169 1.00 0.00 H new ATOM 303 N GLU A 19 14.225 11.593 -6.529 1.00 0.00 N ATOM 304 CA GLU A 19 12.883 11.829 -6.010 1.00 0.00 C ATOM 305 C GLU A 19 11.998 12.463 -7.077 1.00 0.00 C ATOM 306 O GLU A 19 10.879 11.993 -7.286 1.00 0.00 O ATOM 307 CB GLU A 19 12.900 12.637 -4.700 1.00 0.00 C ATOM 308 CG GLU A 19 11.483 13.070 -4.264 1.00 0.00 C ATOM 309 CD GLU A 19 11.366 13.579 -2.813 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.188 13.194 -1.951 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.413 14.336 -2.519 1.00 0.00 O ATOM 0 H GLU A 19 14.954 12.148 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 19 12.448 10.863 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.354 12.037 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.525 13.521 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.138 13.856 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.808 12.224 -4.390 1.00 0.00 H new ATOM 318 N GLY A 20 12.492 13.494 -7.767 1.00 0.00 N ATOM 319 CA GLY A 20 11.725 14.182 -8.794 1.00 0.00 C ATOM 320 C GLY A 20 11.319 13.224 -9.916 1.00 0.00 C ATOM 321 O GLY A 20 10.163 13.246 -10.349 1.00 0.00 O ATOM 0 H GLY A 20 13.430 13.869 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.834 14.625 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.316 15.000 -9.206 1.00 0.00 H new ATOM 325 N PHE A 21 12.223 12.346 -10.368 1.00 0.00 N ATOM 326 CA PHE A 21 11.862 11.364 -11.384 1.00 0.00 C ATOM 327 C PHE A 21 10.868 10.364 -10.800 1.00 0.00 C ATOM 328 O PHE A 21 9.817 10.162 -11.395 1.00 0.00 O ATOM 329 CB PHE A 21 13.096 10.680 -12.000 1.00 0.00 C ATOM 330 CG PHE A 21 13.987 11.640 -12.770 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.477 12.359 -13.874 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.294 11.899 -12.318 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.234 13.400 -14.445 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.043 12.942 -12.889 1.00 0.00 C ATOM 335 CZ PHE A 21 15.495 13.708 -13.928 1.00 0.00 C ATOM 0 H PHE A 21 13.191 12.299 -10.050 1.00 0.00 H new ATOM 0 HA PHE A 21 11.378 11.883 -12.211 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.678 10.211 -11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.767 9.884 -12.668 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.507 12.110 -14.280 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.722 11.296 -11.531 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.841 13.959 -15.281 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.039 13.153 -12.528 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.051 14.541 -14.331 1.00 0.00 H new ATOM 345 N ALA A 22 11.119 9.783 -9.626 1.00 0.00 N ATOM 346 CA ALA A 22 10.252 8.763 -9.042 1.00 0.00 C ATOM 347 C ALA A 22 8.828 9.266 -8.845 1.00 0.00 C ATOM 348 O ALA A 22 7.882 8.558 -9.187 1.00 0.00 O ATOM 349 CB ALA A 22 10.841 8.291 -7.713 1.00 0.00 C ATOM 0 H ALA A 22 11.932 10.008 -9.053 1.00 0.00 H new ATOM 0 HA ALA A 22 10.201 7.926 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.193 7.530 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.832 7.870 -7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.918 9.136 -7.029 1.00 0.00 H new ATOM 355 N LYS A 23 8.652 10.494 -8.353 1.00 0.00 N ATOM 356 CA LYS A 23 7.324 11.051 -8.156 1.00 0.00 C ATOM 357 C LYS A 23 6.669 11.509 -9.465 1.00 0.00 C ATOM 358 O LYS A 23 5.537 11.978 -9.441 1.00 0.00 O ATOM 359 CB LYS A 23 7.338 12.149 -7.094 1.00 0.00 C ATOM 360 CG LYS A 23 7.905 13.460 -7.623 1.00 0.00 C ATOM 361 CD LYS A 23 8.107 14.432 -6.458 1.00 0.00 C ATOM 362 CE LYS A 23 7.699 15.807 -6.970 1.00 0.00 C ATOM 363 NZ LYS A 23 7.910 16.868 -5.955 1.00 0.00 N ATOM 0 H LYS A 23 9.415 11.116 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 23 6.693 10.244 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.323 12.315 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.930 11.818 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.853 13.281 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.227 13.892 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.501 14.141 -5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.146 14.433 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.273 16.044 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.649 15.788 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.683 17.795 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.292 16.694 -5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.903 16.861 -5.646 1.00 0.00 H new ATOM 377 N THR A 24 7.344 11.416 -10.605 1.00 0.00 N ATOM 378 CA THR A 24 6.730 11.617 -11.899 1.00 0.00 C ATOM 379 C THR A 24 6.396 10.257 -12.518 1.00 0.00 C ATOM 380 O THR A 24 5.298 10.047 -13.037 1.00 0.00 O ATOM 381 CB THR A 24 7.726 12.413 -12.761 1.00 0.00 C ATOM 382 OG1 THR A 24 8.095 13.612 -12.105 1.00 0.00 O ATOM 383 CG2 THR A 24 7.117 12.782 -14.108 1.00 0.00 C ATOM 0 H THR A 24 8.339 11.197 -10.651 1.00 0.00 H new ATOM 0 HA THR A 24 5.797 12.175 -11.823 1.00 0.00 H new ATOM 0 HB THR A 24 8.599 11.778 -12.916 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.824 13.430 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.844 13.344 -14.694 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.842 11.874 -14.644 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.228 13.393 -13.950 1.00 0.00 H new ATOM 391 N LEU A 25 7.347 9.327 -12.441 1.00 0.00 N ATOM 392 CA LEU A 25 7.313 8.024 -13.079 1.00 0.00 C ATOM 393 C LEU A 25 6.311 7.111 -12.389 1.00 0.00 C ATOM 394 O LEU A 25 5.595 6.369 -13.062 1.00 0.00 O ATOM 395 CB LEU A 25 8.713 7.399 -13.002 1.00 0.00 C ATOM 396 CG LEU A 25 9.785 8.143 -13.822 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.149 7.605 -13.400 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.574 7.957 -15.327 1.00 0.00 C ATOM 0 H LEU A 25 8.202 9.475 -11.904 1.00 0.00 H new ATOM 0 HA LEU A 25 7.008 8.145 -14.119 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.027 7.367 -11.959 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.657 6.367 -13.350 1.00 0.00 H new ATOM 0 HG LEU A 25 9.717 9.213 -13.627 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.931 8.113 -13.964 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.296 7.782 -12.335 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.195 6.534 -13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.349 8.496 -15.872 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.627 6.897 -15.574 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.595 8.346 -15.608 1.00 0.00 H new ATOM 410 N GLY A 26 6.269 7.173 -11.057 1.00 0.00 N ATOM 411 CA GLY A 26 5.527 6.217 -10.249 1.00 0.00 C ATOM 412 C GLY A 26 4.682 6.791 -9.114 1.00 0.00 C ATOM 413 O GLY A 26 4.063 5.992 -8.407 1.00 0.00 O ATOM 0 H GLY A 26 6.750 7.889 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.871 5.650 -10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.237 5.509 -9.821 1.00 0.00 H new ATOM 417 N ALA A 27 4.601 8.116 -8.926 1.00 0.00 N ATOM 418 CA ALA A 27 3.641 8.702 -7.989 1.00 0.00 C ATOM 419 C ALA A 27 2.234 8.205 -8.340 1.00 0.00 C ATOM 420 O ALA A 27 1.735 8.474 -9.437 1.00 0.00 O ATOM 421 CB ALA A 27 3.685 10.240 -7.996 1.00 0.00 C ATOM 0 H ALA A 27 5.187 8.797 -9.409 1.00 0.00 H new ATOM 0 HA ALA A 27 3.910 8.385 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.955 10.628 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.682 10.577 -7.713 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.449 10.606 -8.995 1.00 0.00 H new ATOM 427 N GLY A 28 1.622 7.456 -7.421 1.00 0.00 N ATOM 428 CA GLY A 28 0.326 6.810 -7.607 1.00 0.00 C ATOM 429 C GLY A 28 0.410 5.302 -7.371 1.00 0.00 C ATOM 430 O GLY A 28 -0.594 4.692 -6.997 1.00 0.00 O ATOM 0 H GLY A 28 2.027 7.279 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.400 7.246 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.035 7.001 -8.618 1.00 0.00 H new ATOM 434 N LYS A 29 1.598 4.700 -7.528 1.00 0.00 N ATOM 435 CA LYS A 29 1.846 3.279 -7.275 1.00 0.00 C ATOM 436 C LYS A 29 3.058 3.064 -6.369 1.00 0.00 C ATOM 437 O LYS A 29 3.166 2.006 -5.752 1.00 0.00 O ATOM 438 CB LYS A 29 1.882 2.482 -8.593 1.00 0.00 C ATOM 439 CG LYS A 29 2.685 3.066 -9.774 1.00 0.00 C ATOM 440 CD LYS A 29 4.204 2.902 -9.653 1.00 0.00 C ATOM 441 CE LYS A 29 4.680 1.443 -9.750 1.00 0.00 C ATOM 442 NZ LYS A 29 4.423 0.861 -11.093 1.00 0.00 N ATOM 0 H LYS A 29 2.429 5.201 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 29 1.007 2.874 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.284 1.493 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.854 2.342 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.353 2.587 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.453 4.127 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.687 3.485 -10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.530 3.318 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.747 1.395 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.173 0.845 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.126 0.121 -11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.469 0.448 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.494 1.607 -11.814 1.00 0.00 H new ATOM 456 N ILE A 30 3.917 4.072 -6.220 1.00 0.00 N ATOM 457 CA ILE A 30 4.984 4.121 -5.235 1.00 0.00 C ATOM 458 C ILE A 30 4.906 5.486 -4.563 1.00 0.00 C ATOM 459 O ILE A 30 4.398 6.449 -5.147 1.00 0.00 O ATOM 460 CB ILE A 30 6.385 3.882 -5.854 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.772 4.831 -7.011 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.511 2.421 -6.300 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.291 4.987 -7.198 1.00 0.00 C ATOM 0 H ILE A 30 3.883 4.906 -6.807 1.00 0.00 H new ATOM 0 HA ILE A 30 4.850 3.316 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 30 7.094 4.112 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.337 4.457 -7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.334 5.812 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.497 2.257 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.380 1.765 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.745 2.200 -7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.488 5.667 -8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.730 5.391 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.733 4.014 -7.414 1.00 0.00 H new ATOM 475 N ALA A 31 5.446 5.563 -3.351 1.00 0.00 N ATOM 476 CA ALA A 31 5.666 6.815 -2.651 1.00 0.00 C ATOM 477 C ALA A 31 7.163 6.898 -2.408 1.00 0.00 C ATOM 478 O ALA A 31 7.788 5.917 -2.003 1.00 0.00 O ATOM 479 CB ALA A 31 4.866 6.871 -1.346 1.00 0.00 C ATOM 0 H ALA A 31 5.746 4.743 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 31 5.322 7.668 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.052 7.821 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.803 6.780 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.173 6.052 -0.696 1.00 0.00 H new ATOM 485 N VAL A 32 7.735 8.061 -2.689 1.00 0.00 N ATOM 486 CA VAL A 32 9.153 8.300 -2.620 1.00 0.00 C ATOM 487 C VAL A 32 9.497 9.316 -1.535 1.00 0.00 C ATOM 488 O VAL A 32 8.709 10.207 -1.205 1.00 0.00 O ATOM 489 CB VAL A 32 9.602 8.776 -4.011 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.775 9.910 -4.631 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.072 9.200 -3.997 1.00 0.00 C ATOM 0 H VAL A 32 7.202 8.881 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 32 9.681 7.386 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 32 9.441 7.902 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.182 10.164 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.740 9.587 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.815 10.786 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.364 9.532 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.209 10.016 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.692 8.354 -3.700 1.00 0.00 H new ATOM 501 N THR A 33 10.716 9.193 -1.024 1.00 0.00 N ATOM 502 CA THR A 33 11.375 10.157 -0.179 1.00 0.00 C ATOM 503 C THR A 33 12.860 10.122 -0.564 1.00 0.00 C ATOM 504 O THR A 33 13.384 9.081 -0.966 1.00 0.00 O ATOM 505 CB THR A 33 11.150 9.813 1.306 1.00 0.00 C ATOM 506 OG1 THR A 33 9.784 9.545 1.585 1.00 0.00 O ATOM 507 CG2 THR A 33 11.601 10.934 2.245 1.00 0.00 C ATOM 0 H THR A 33 11.294 8.372 -1.203 1.00 0.00 H new ATOM 0 HA THR A 33 10.975 11.161 -0.318 1.00 0.00 H new ATOM 0 HB THR A 33 11.755 8.924 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.712 9.068 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.419 10.638 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.665 11.122 2.103 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.040 11.842 2.024 1.00 0.00 H new ATOM 515 N SER A 34 13.544 11.252 -0.458 1.00 0.00 N ATOM 516 CA SER A 34 14.980 11.372 -0.560 1.00 0.00 C ATOM 517 C SER A 34 15.516 11.993 0.730 1.00 0.00 C ATOM 518 O SER A 34 14.832 12.794 1.377 1.00 0.00 O ATOM 519 CB SER A 34 15.330 12.192 -1.801 1.00 0.00 C ATOM 520 OG SER A 34 14.736 13.472 -1.825 1.00 0.00 O ATOM 0 H SER A 34 13.086 12.148 -0.291 1.00 0.00 H new ATOM 0 HA SER A 34 15.451 10.396 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.413 12.303 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.019 11.641 -2.689 1.00 0.00 H new ATOM 0 HG SER A 34 13.802 13.394 -2.112 1.00 0.00 H new ATOM 526 N CYS A 35 16.736 11.624 1.117 1.00 0.00 N ATOM 527 CA CYS A 35 17.403 12.140 2.295 1.00 0.00 C ATOM 528 C CYS A 35 18.911 11.991 2.084 1.00 0.00 C ATOM 529 O CYS A 35 19.381 11.728 0.966 1.00 0.00 O ATOM 530 CB CYS A 35 16.888 11.407 3.551 1.00 0.00 C ATOM 531 SG CYS A 35 17.346 9.654 3.556 1.00 0.00 S ATOM 0 H CYS A 35 17.295 10.942 0.604 1.00 0.00 H new ATOM 0 HA CYS A 35 17.185 13.197 2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.291 11.889 4.442 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.803 11.498 3.603 1.00 0.00 H new ATOM 0 HG CYS A 35 16.525 8.989 2.799 1.00 0.00 H new ATOM 537 N GLY A 36 19.690 12.119 3.153 1.00 0.00 N ATOM 538 CA GLY A 36 21.096 11.785 3.119 1.00 0.00 C ATOM 539 C GLY A 36 21.628 11.430 4.493 1.00 0.00 C ATOM 540 O GLY A 36 20.941 11.666 5.492 1.00 0.00 O ATOM 0 H GLY A 36 19.361 12.455 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.253 10.946 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.659 12.628 2.719 1.00 0.00 H new ATOM 544 N LEU A 37 22.852 10.878 4.522 1.00 0.00 N ATOM 545 CA LEU A 37 23.576 10.539 5.762 1.00 0.00 C ATOM 546 C LEU A 37 23.562 11.735 6.716 1.00 0.00 C ATOM 547 O LEU A 37 23.389 11.587 7.925 1.00 0.00 O ATOM 548 CB LEU A 37 25.042 10.141 5.488 1.00 0.00 C ATOM 549 CG LEU A 37 25.280 8.675 5.081 1.00 0.00 C ATOM 550 CD1 LEU A 37 24.578 8.299 3.775 1.00 0.00 C ATOM 551 CD2 LEU A 37 26.783 8.416 4.928 1.00 0.00 C ATOM 0 H LEU A 37 23.374 10.651 3.676 1.00 0.00 H new ATOM 0 HA LEU A 37 23.066 9.685 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.430 10.784 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.627 10.348 6.384 1.00 0.00 H new ATOM 0 HG LEU A 37 24.858 8.057 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.782 7.254 3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.503 8.443 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 37 24.948 8.932 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.946 7.377 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 37 27.189 9.074 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 37 27.284 8.613 5.876 1.00 0.00 H new ATOM 563 N GLU A 38 23.728 12.921 6.138 1.00 0.00 N ATOM 564 CA GLU A 38 23.535 14.215 6.752 1.00 0.00 C ATOM 565 C GLU A 38 23.007 15.083 5.613 1.00 0.00 C ATOM 566 O GLU A 38 23.380 14.902 4.447 1.00 0.00 O ATOM 567 CB GLU A 38 24.847 14.755 7.332 1.00 0.00 C ATOM 568 CG GLU A 38 24.632 16.014 8.183 1.00 0.00 C ATOM 569 CD GLU A 38 25.945 16.482 8.838 1.00 0.00 C ATOM 570 OE1 GLU A 38 26.722 17.228 8.199 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.209 16.125 10.009 1.00 0.00 O ATOM 0 H GLU A 38 24.020 13.000 5.164 1.00 0.00 H new ATOM 0 HA GLU A 38 22.848 14.188 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.317 13.983 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.535 14.982 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.231 16.812 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.891 15.810 8.956 1.00 0.00 H new ATOM 578 N SER A 39 22.093 15.981 5.944 1.00 0.00 N ATOM 579 CA SER A 39 21.457 16.862 4.978 1.00 0.00 C ATOM 580 C SER A 39 22.397 17.995 4.546 1.00 0.00 C ATOM 581 O SER A 39 23.323 18.389 5.262 1.00 0.00 O ATOM 582 CB SER A 39 20.155 17.409 5.585 1.00 0.00 C ATOM 583 OG SER A 39 20.279 17.649 6.982 1.00 0.00 O ATOM 0 H SER A 39 21.769 16.120 6.901 1.00 0.00 H new ATOM 0 HA SER A 39 21.222 16.296 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.881 18.336 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.347 16.699 5.409 1.00 0.00 H new ATOM 0 HG SER A 39 19.432 17.997 7.331 1.00 0.00 H new ATOM 589 N SER A 40 22.137 18.539 3.360 1.00 0.00 N ATOM 590 CA SER A 40 22.708 19.751 2.792 1.00 0.00 C ATOM 591 C SER A 40 21.706 20.203 1.723 1.00 0.00 C ATOM 592 O SER A 40 20.929 19.379 1.224 1.00 0.00 O ATOM 593 CB SER A 40 24.097 19.478 2.198 1.00 0.00 C ATOM 594 OG SER A 40 25.024 19.172 3.226 1.00 0.00 O ATOM 0 H SER A 40 21.468 18.107 2.723 1.00 0.00 H new ATOM 0 HA SER A 40 22.861 20.526 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.041 18.649 1.492 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.438 20.350 1.640 1.00 0.00 H new ATOM 0 HG SER A 40 24.539 18.937 4.045 1.00 0.00 H new ATOM 600 N ARG A 41 21.665 21.505 1.412 1.00 0.00 N ATOM 601 CA ARG A 41 20.634 22.085 0.553 1.00 0.00 C ATOM 602 C ARG A 41 20.558 21.348 -0.778 1.00 0.00 C ATOM 603 O ARG A 41 21.578 20.887 -1.296 1.00 0.00 O ATOM 604 CB ARG A 41 20.860 23.599 0.356 1.00 0.00 C ATOM 605 CG ARG A 41 22.134 23.958 -0.431 1.00 0.00 C ATOM 606 CD ARG A 41 22.255 25.475 -0.610 1.00 0.00 C ATOM 607 NE ARG A 41 23.448 25.832 -1.400 1.00 0.00 N ATOM 608 CZ ARG A 41 23.710 27.040 -1.917 1.00 0.00 C ATOM 609 NH1 ARG A 41 22.870 28.056 -1.730 1.00 0.00 N ATOM 610 NH2 ARG A 41 24.819 27.226 -2.626 1.00 0.00 N ATOM 0 H ARG A 41 22.348 22.183 1.751 1.00 0.00 H new ATOM 0 HA ARG A 41 19.671 21.964 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 41 19.998 24.018 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.906 24.077 1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.010 23.578 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.113 23.473 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.362 25.856 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.307 25.955 0.367 1.00 0.00 H new ATOM 0 HE ARG A 41 24.133 25.095 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 41 22.017 27.919 -1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 41 23.080 28.971 -2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 41 25.466 26.451 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.023 28.144 -3.022 1.00 0.00 H new ATOM 624 N VAL A 42 19.356 21.256 -1.336 1.00 0.00 N ATOM 625 CA VAL A 42 19.175 20.780 -2.696 1.00 0.00 C ATOM 626 C VAL A 42 19.928 21.730 -3.630 1.00 0.00 C ATOM 627 O VAL A 42 19.900 22.953 -3.458 1.00 0.00 O ATOM 628 CB VAL A 42 17.682 20.591 -3.021 1.00 0.00 C ATOM 629 CG1 VAL A 42 16.777 21.717 -2.509 1.00 0.00 C ATOM 630 CG2 VAL A 42 17.459 20.333 -4.522 1.00 0.00 C ATOM 0 H VAL A 42 18.489 21.507 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 42 19.600 19.786 -2.835 1.00 0.00 H new ATOM 0 HB VAL A 42 17.380 19.702 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.743 21.505 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 42 16.860 21.786 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.083 22.662 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.394 20.204 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.832 21.181 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.993 19.431 -4.819 1.00 0.00 H new ATOM 640 N HIS A 43 20.648 21.148 -4.584 1.00 0.00 N ATOM 641 CA HIS A 43 21.560 21.867 -5.452 1.00 0.00 C ATOM 642 C HIS A 43 20.771 22.580 -6.563 1.00 0.00 C ATOM 643 O HIS A 43 19.785 22.019 -7.045 1.00 0.00 O ATOM 644 CB HIS A 43 22.576 20.855 -5.995 1.00 0.00 C ATOM 645 CG HIS A 43 23.884 21.495 -6.365 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.313 21.799 -7.633 1.00 0.00 N ATOM 647 CD2 HIS A 43 24.834 21.960 -5.495 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.495 22.430 -7.531 1.00 0.00 C ATOM 649 NE2 HIS A 43 25.862 22.546 -6.244 1.00 0.00 N ATOM 0 H HIS A 43 20.610 20.147 -4.775 1.00 0.00 H new ATOM 0 HA HIS A 43 22.100 22.646 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.752 20.084 -5.245 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.157 20.359 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.797 21.887 -4.418 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.071 22.794 -8.369 1.00 0.00 H new ATOM 0 HE2 HIS A 43 26.716 22.974 -5.885 1.00 0.00 H new ATOM 657 N PRO A 44 21.161 23.791 -7.005 1.00 0.00 N ATOM 658 CA PRO A 44 20.321 24.584 -7.893 1.00 0.00 C ATOM 659 C PRO A 44 20.382 24.099 -9.338 1.00 0.00 C ATOM 660 O PRO A 44 19.344 23.984 -9.976 1.00 0.00 O ATOM 661 CB PRO A 44 20.815 26.024 -7.738 1.00 0.00 C ATOM 662 CG PRO A 44 22.293 25.864 -7.378 1.00 0.00 C ATOM 663 CD PRO A 44 22.340 24.547 -6.600 1.00 0.00 C ATOM 0 HA PRO A 44 19.267 24.496 -7.628 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.687 26.593 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.268 26.553 -6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.920 25.825 -8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 44 22.650 26.698 -6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.252 23.995 -6.825 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.335 24.730 -5.525 1.00 0.00 H new ATOM 671 N THR A 45 21.546 23.739 -9.874 1.00 0.00 N ATOM 672 CA THR A 45 21.633 23.283 -11.260 1.00 0.00 C ATOM 673 C THR A 45 20.825 21.995 -11.475 1.00 0.00 C ATOM 674 O THR A 45 20.315 21.769 -12.569 1.00 0.00 O ATOM 675 CB THR A 45 23.123 23.111 -11.601 1.00 0.00 C ATOM 676 OG1 THR A 45 23.823 24.296 -11.254 1.00 0.00 O ATOM 677 CG2 THR A 45 23.405 22.747 -13.059 1.00 0.00 C ATOM 0 H THR A 45 22.435 23.754 -9.375 1.00 0.00 H new ATOM 0 HA THR A 45 21.193 24.017 -11.934 1.00 0.00 H new ATOM 0 HB THR A 45 23.472 22.260 -11.016 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.773 24.189 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.480 22.646 -13.207 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.915 21.803 -13.300 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.021 23.532 -13.711 1.00 0.00 H new ATOM 685 N ALA A 46 20.598 21.204 -10.419 1.00 0.00 N ATOM 686 CA ALA A 46 19.728 20.034 -10.456 1.00 0.00 C ATOM 687 C ALA A 46 18.359 20.369 -11.036 1.00 0.00 C ATOM 688 O ALA A 46 17.804 19.588 -11.812 1.00 0.00 O ATOM 689 CB ALA A 46 19.518 19.546 -9.026 1.00 0.00 C ATOM 0 H ALA A 46 21.022 21.365 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 46 20.201 19.278 -11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.869 18.670 -9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.480 19.282 -8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.055 20.337 -8.436 1.00 0.00 H new ATOM 695 N ILE A 47 17.834 21.542 -10.665 1.00 0.00 N ATOM 696 CA ILE A 47 16.552 22.023 -11.102 1.00 0.00 C ATOM 697 C ILE A 47 16.549 22.027 -12.629 1.00 0.00 C ATOM 698 O ILE A 47 15.602 21.555 -13.249 1.00 0.00 O ATOM 699 CB ILE A 47 16.351 23.448 -10.542 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.378 23.488 -8.994 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.060 24.056 -11.087 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.621 24.896 -8.436 1.00 0.00 C ATOM 0 H ILE A 47 18.314 22.187 -10.037 1.00 0.00 H new ATOM 0 HA ILE A 47 15.739 21.391 -10.745 1.00 0.00 H new ATOM 0 HB ILE A 47 17.194 24.051 -10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.431 23.109 -8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.159 22.820 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.932 25.060 -10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.112 24.106 -12.175 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.213 23.436 -10.792 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.629 24.859 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.581 25.268 -8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.826 25.562 -8.771 1.00 0.00 H new ATOM 714 N ALA A 48 17.626 22.542 -13.228 1.00 0.00 N ATOM 715 CA ALA A 48 17.726 22.801 -14.642 1.00 0.00 C ATOM 716 C ALA A 48 17.696 21.493 -15.418 1.00 0.00 C ATOM 717 O ALA A 48 17.066 21.403 -16.465 1.00 0.00 O ATOM 718 CB ALA A 48 19.009 23.586 -14.926 1.00 0.00 C ATOM 0 H ALA A 48 18.471 22.793 -12.715 1.00 0.00 H new ATOM 0 HA ALA A 48 16.875 23.400 -14.967 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.086 23.783 -15.995 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.985 24.531 -14.384 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.871 23.004 -14.601 1.00 0.00 H new ATOM 724 N MET A 49 18.353 20.468 -14.884 1.00 0.00 N ATOM 725 CA MET A 49 18.438 19.161 -15.513 1.00 0.00 C ATOM 726 C MET A 49 17.060 18.470 -15.518 1.00 0.00 C ATOM 727 O MET A 49 16.598 17.900 -16.520 1.00 0.00 O ATOM 728 CB MET A 49 19.493 18.328 -14.777 1.00 0.00 C ATOM 729 CG MET A 49 20.730 19.061 -14.251 1.00 0.00 C ATOM 730 SD MET A 49 21.475 20.413 -15.226 1.00 0.00 S ATOM 731 CE MET A 49 21.803 19.626 -16.810 1.00 0.00 C ATOM 0 H MET A 49 18.846 20.526 -13.993 1.00 0.00 H new ATOM 0 HA MET A 49 18.740 19.267 -16.555 1.00 0.00 H new ATOM 0 HB2 MET A 49 19.007 17.839 -13.933 1.00 0.00 H new ATOM 0 HB3 MET A 49 19.830 17.540 -15.451 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.473 19.470 -13.274 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.506 18.313 -14.089 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.583 20.326 -17.616 1.00 0.00 H new ATOM 0 HE2 MET A 49 22.851 19.332 -16.860 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.173 18.743 -16.915 1.00 0.00 H new ATOM 741 N MET A 50 16.367 18.543 -14.386 1.00 0.00 N ATOM 742 CA MET A 50 15.014 18.032 -14.276 1.00 0.00 C ATOM 743 C MET A 50 14.082 18.834 -15.170 1.00 0.00 C ATOM 744 O MET A 50 13.224 18.241 -15.816 1.00 0.00 O ATOM 745 CB MET A 50 14.571 18.041 -12.812 1.00 0.00 C ATOM 746 CG MET A 50 15.395 17.007 -12.033 1.00 0.00 C ATOM 747 SD MET A 50 14.461 16.086 -10.792 1.00 0.00 S ATOM 748 CE MET A 50 13.384 15.130 -11.866 1.00 0.00 C ATOM 0 H MET A 50 16.729 18.956 -13.527 1.00 0.00 H new ATOM 0 HA MET A 50 14.979 16.998 -14.618 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.710 19.033 -12.383 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.509 17.808 -12.739 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.830 16.301 -12.740 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.223 17.517 -11.541 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.348 15.260 -11.552 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.497 15.474 -12.894 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.652 14.075 -11.805 1.00 0.00 H new ATOM 758 N GLU A 51 14.298 20.140 -15.308 1.00 0.00 N ATOM 759 CA GLU A 51 13.553 20.981 -16.233 1.00 0.00 C ATOM 760 C GLU A 51 13.796 20.568 -17.686 1.00 0.00 C ATOM 761 O GLU A 51 12.921 20.784 -18.525 1.00 0.00 O ATOM 762 CB GLU A 51 13.936 22.449 -16.017 1.00 0.00 C ATOM 763 CG GLU A 51 13.183 23.122 -14.856 1.00 0.00 C ATOM 764 CD GLU A 51 11.700 23.451 -15.144 1.00 0.00 C ATOM 765 OE1 GLU A 51 11.135 23.043 -16.185 1.00 0.00 O ATOM 766 OE2 GLU A 51 11.083 24.178 -14.331 1.00 0.00 O ATOM 0 H GLU A 51 15.004 20.647 -14.773 1.00 0.00 H new ATOM 0 HA GLU A 51 12.489 20.854 -16.033 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.008 22.511 -15.828 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.742 23.004 -16.934 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.232 22.470 -13.984 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.700 24.045 -14.594 1.00 0.00 H new ATOM 773 N GLU A 52 14.932 19.931 -17.995 1.00 0.00 N ATOM 774 CA GLU A 52 15.153 19.369 -19.322 1.00 0.00 C ATOM 775 C GLU A 52 14.176 18.232 -19.567 1.00 0.00 C ATOM 776 O GLU A 52 13.638 18.103 -20.669 1.00 0.00 O ATOM 777 CB GLU A 52 16.570 18.828 -19.546 1.00 0.00 C ATOM 778 CG GLU A 52 17.651 19.877 -19.270 1.00 0.00 C ATOM 779 CD GLU A 52 18.967 19.585 -20.001 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.724 18.684 -19.570 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.272 20.279 -20.996 1.00 0.00 O ATOM 0 H GLU A 52 15.705 19.795 -17.344 1.00 0.00 H new ATOM 0 HA GLU A 52 15.004 20.195 -20.017 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.732 17.966 -18.899 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.663 18.478 -20.574 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.284 20.858 -19.572 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.840 19.923 -18.197 1.00 0.00 H new ATOM 788 N VAL A 53 13.939 17.416 -18.535 1.00 0.00 N ATOM 789 CA VAL A 53 12.956 16.334 -18.667 1.00 0.00 C ATOM 790 C VAL A 53 11.520 16.891 -18.576 1.00 0.00 C ATOM 791 O VAL A 53 10.599 16.311 -19.154 1.00 0.00 O ATOM 792 CB VAL A 53 13.270 15.210 -17.662 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.263 14.051 -17.718 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.664 14.628 -17.968 1.00 0.00 C ATOM 0 H VAL A 53 14.397 17.478 -17.626 1.00 0.00 H new ATOM 0 HA VAL A 53 13.026 15.880 -19.655 1.00 0.00 H new ATOM 0 HB VAL A 53 13.220 15.659 -16.670 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.540 13.292 -16.986 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.265 14.425 -17.492 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.269 13.612 -18.716 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.890 13.832 -17.258 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.676 14.225 -18.981 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.414 15.415 -17.881 1.00 0.00 H new ATOM 804 N GLY A 54 11.329 18.034 -17.912 1.00 0.00 N ATOM 805 CA GLY A 54 10.042 18.704 -17.744 1.00 0.00 C ATOM 806 C GLY A 54 9.539 18.611 -16.302 1.00 0.00 C ATOM 807 O GLY A 54 8.327 18.635 -16.078 1.00 0.00 O ATOM 0 H GLY A 54 12.095 18.534 -17.461 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.137 19.752 -18.029 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.309 18.256 -18.415 1.00 0.00 H new ATOM 811 N ILE A 55 10.449 18.458 -15.335 1.00 0.00 N ATOM 812 CA ILE A 55 10.147 18.312 -13.908 1.00 0.00 C ATOM 813 C ILE A 55 10.904 19.432 -13.159 1.00 0.00 C ATOM 814 O ILE A 55 11.599 20.237 -13.778 1.00 0.00 O ATOM 815 CB ILE A 55 10.494 16.865 -13.463 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.843 15.774 -14.356 1.00 0.00 C ATOM 817 CG2 ILE A 55 10.079 16.568 -12.006 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.714 14.520 -14.409 1.00 0.00 C ATOM 0 H ILE A 55 11.450 18.432 -15.531 1.00 0.00 H new ATOM 0 HA ILE A 55 9.089 18.436 -13.675 1.00 0.00 H new ATOM 0 HB ILE A 55 11.579 16.821 -13.561 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.857 15.520 -13.966 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.697 16.163 -15.364 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.347 15.542 -11.753 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.594 17.254 -11.334 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.002 16.698 -11.901 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.236 13.771 -15.041 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.691 14.773 -14.822 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.838 14.120 -13.403 1.00 0.00 H new ATOM 830 N ASP A 56 10.769 19.525 -11.836 1.00 0.00 N ATOM 831 CA ASP A 56 11.355 20.572 -11.000 1.00 0.00 C ATOM 832 C ASP A 56 11.808 19.970 -9.667 1.00 0.00 C ATOM 833 O ASP A 56 11.245 18.964 -9.226 1.00 0.00 O ATOM 834 CB ASP A 56 10.302 21.659 -10.734 1.00 0.00 C ATOM 835 CG ASP A 56 10.785 22.647 -9.667 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.862 23.249 -9.871 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.146 22.753 -8.597 1.00 0.00 O ATOM 0 H ASP A 56 10.228 18.848 -11.298 1.00 0.00 H new ATOM 0 HA ASP A 56 12.213 21.008 -11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.086 22.194 -11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.370 21.195 -10.409 1.00 0.00 H new ATOM 842 N ILE A 57 12.784 20.610 -9.011 1.00 0.00 N ATOM 843 CA ILE A 57 13.188 20.298 -7.640 1.00 0.00 C ATOM 844 C ILE A 57 13.210 21.542 -6.733 1.00 0.00 C ATOM 845 O ILE A 57 13.228 21.393 -5.514 1.00 0.00 O ATOM 846 CB ILE A 57 14.527 19.531 -7.570 1.00 0.00 C ATOM 847 CG1 ILE A 57 15.027 18.875 -8.870 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.403 18.457 -6.485 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.389 18.214 -8.660 1.00 0.00 C ATOM 0 H ILE A 57 13.322 21.370 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 57 12.418 19.630 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 57 15.277 20.291 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.305 18.131 -9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.101 19.627 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.337 17.900 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.191 18.931 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.592 17.775 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.720 17.758 -9.593 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.114 18.965 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.306 17.446 -7.890 1.00 0.00 H new ATOM 861 N SER A 58 13.155 22.757 -7.286 1.00 0.00 N ATOM 862 CA SER A 58 13.014 24.009 -6.532 1.00 0.00 C ATOM 863 C SER A 58 11.912 23.937 -5.459 1.00 0.00 C ATOM 864 O SER A 58 12.059 24.511 -4.378 1.00 0.00 O ATOM 865 CB SER A 58 12.664 25.171 -7.476 1.00 0.00 C ATOM 866 OG SER A 58 13.266 25.050 -8.740 1.00 0.00 O ATOM 0 H SER A 58 13.208 22.902 -8.294 1.00 0.00 H new ATOM 0 HA SER A 58 13.975 24.172 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.582 25.220 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.976 26.110 -7.019 1.00 0.00 H new ATOM 0 HG SER A 58 12.612 24.704 -9.382 1.00 0.00 H new ATOM 872 N GLY A 59 10.805 23.247 -5.762 1.00 0.00 N ATOM 873 CA GLY A 59 9.614 23.191 -4.925 1.00 0.00 C ATOM 874 C GLY A 59 9.740 22.263 -3.713 1.00 0.00 C ATOM 875 O GLY A 59 8.828 22.245 -2.884 1.00 0.00 O ATOM 0 H GLY A 59 10.717 22.701 -6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.382 24.197 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.771 22.863 -5.533 1.00 0.00 H new ATOM 879 N GLN A 60 10.835 21.504 -3.586 1.00 0.00 N ATOM 880 CA GLN A 60 11.083 20.571 -2.499 1.00 0.00 C ATOM 881 C GLN A 60 12.438 20.840 -1.836 1.00 0.00 C ATOM 882 O GLN A 60 13.236 21.636 -2.331 1.00 0.00 O ATOM 883 CB GLN A 60 10.921 19.135 -3.022 1.00 0.00 C ATOM 884 CG GLN A 60 11.952 18.693 -4.068 1.00 0.00 C ATOM 885 CD GLN A 60 11.704 17.280 -4.600 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.595 16.932 -5.005 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.739 16.459 -4.663 1.00 0.00 N ATOM 0 H GLN A 60 11.595 21.529 -4.266 1.00 0.00 H new ATOM 0 HA GLN A 60 10.348 20.713 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.972 18.451 -2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.925 19.034 -3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.938 19.395 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.948 18.739 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.652 16.762 -4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.624 15.523 -5.051 1.00 0.00 H new ATOM 896 N THR A 61 12.688 20.187 -0.701 1.00 0.00 N ATOM 897 CA THR A 61 13.819 20.458 0.180 1.00 0.00 C ATOM 898 C THR A 61 14.581 19.172 0.514 1.00 0.00 C ATOM 899 O THR A 61 14.106 18.062 0.255 1.00 0.00 O ATOM 900 CB THR A 61 13.289 21.165 1.446 1.00 0.00 C ATOM 901 OG1 THR A 61 12.155 20.502 1.986 1.00 0.00 O ATOM 902 CG2 THR A 61 12.851 22.589 1.105 1.00 0.00 C ATOM 0 H THR A 61 12.090 19.433 -0.361 1.00 0.00 H new ATOM 0 HA THR A 61 14.534 21.111 -0.320 1.00 0.00 H new ATOM 0 HB THR A 61 14.102 21.157 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.849 20.977 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.479 23.080 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.701 23.147 0.712 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.061 22.557 0.355 1.00 0.00 H new ATOM 910 N SER A 62 15.780 19.326 1.076 1.00 0.00 N ATOM 911 CA SER A 62 16.606 18.237 1.588 1.00 0.00 C ATOM 912 C SER A 62 16.317 18.014 3.080 1.00 0.00 C ATOM 913 O SER A 62 15.844 18.924 3.768 1.00 0.00 O ATOM 914 CB SER A 62 18.068 18.607 1.339 1.00 0.00 C ATOM 915 OG SER A 62 18.425 18.395 -0.016 1.00 0.00 O ATOM 0 H SER A 62 16.215 20.241 1.190 1.00 0.00 H new ATOM 0 HA SER A 62 16.381 17.300 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.232 19.652 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.712 18.011 1.985 1.00 0.00 H new ATOM 0 HG SER A 62 19.373 18.153 -0.071 1.00 0.00 H new ATOM 921 N ASP A 63 16.580 16.802 3.578 1.00 0.00 N ATOM 922 CA ASP A 63 16.173 16.351 4.912 1.00 0.00 C ATOM 923 C ASP A 63 17.082 15.203 5.381 1.00 0.00 C ATOM 924 O ASP A 63 17.512 14.409 4.540 1.00 0.00 O ATOM 925 CB ASP A 63 14.716 15.862 4.838 1.00 0.00 C ATOM 926 CG ASP A 63 13.999 16.010 6.183 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.779 17.157 6.634 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.616 14.981 6.772 1.00 0.00 O ATOM 0 H ASP A 63 17.092 16.092 3.054 1.00 0.00 H new ATOM 0 HA ASP A 63 16.258 17.174 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.180 16.428 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.698 14.817 4.529 1.00 0.00 H new ATOM 933 N PRO A 64 17.432 15.083 6.674 1.00 0.00 N ATOM 934 CA PRO A 64 18.348 14.041 7.128 1.00 0.00 C ATOM 935 C PRO A 64 17.633 12.689 7.248 1.00 0.00 C ATOM 936 O PRO A 64 16.457 12.618 7.611 1.00 0.00 O ATOM 937 CB PRO A 64 18.865 14.533 8.483 1.00 0.00 C ATOM 938 CG PRO A 64 17.698 15.353 9.033 1.00 0.00 C ATOM 939 CD PRO A 64 17.054 15.951 7.781 1.00 0.00 C ATOM 0 HA PRO A 64 19.164 13.875 6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.118 13.702 9.142 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.765 15.138 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.996 14.729 9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.041 16.129 9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.970 15.998 7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.403 16.970 7.613 1.00 0.00 H new ATOM 947 N ILE A 65 18.380 11.604 7.019 1.00 0.00 N ATOM 948 CA ILE A 65 17.916 10.226 7.209 1.00 0.00 C ATOM 949 C ILE A 65 17.314 10.015 8.608 1.00 0.00 C ATOM 950 O ILE A 65 16.340 9.279 8.772 1.00 0.00 O ATOM 951 CB ILE A 65 19.078 9.257 6.902 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.578 7.801 6.961 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.306 9.449 7.821 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.476 6.859 6.163 1.00 0.00 C ATOM 0 H ILE A 65 19.344 11.660 6.690 1.00 0.00 H new ATOM 0 HA ILE A 65 17.104 10.017 6.512 1.00 0.00 H new ATOM 0 HB ILE A 65 19.421 9.491 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.539 7.472 8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.561 7.750 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.081 8.734 7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.690 10.463 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.013 9.286 8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.088 5.843 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.495 7.172 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.487 6.889 6.569 1.00 0.00 H new ATOM 966 N GLU A 66 17.871 10.712 9.603 1.00 0.00 N ATOM 967 CA GLU A 66 17.528 10.616 11.016 1.00 0.00 C ATOM 968 C GLU A 66 16.047 10.930 11.282 1.00 0.00 C ATOM 969 O GLU A 66 15.501 10.515 12.306 1.00 0.00 O ATOM 970 CB GLU A 66 18.414 11.589 11.821 1.00 0.00 C ATOM 971 CG GLU A 66 19.916 11.515 11.488 1.00 0.00 C ATOM 972 CD GLU A 66 20.758 12.282 12.523 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.927 13.515 12.390 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.275 11.656 13.478 1.00 0.00 O ATOM 0 H GLU A 66 18.611 11.392 9.430 1.00 0.00 H new ATOM 0 HA GLU A 66 17.704 9.587 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.066 12.607 11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.281 11.386 12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.233 10.473 11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.091 11.929 10.495 1.00 0.00 H new ATOM 981 N ASN A 67 15.399 11.677 10.380 1.00 0.00 N ATOM 982 CA ASN A 67 14.025 12.139 10.542 1.00 0.00 C ATOM 983 C ASN A 67 12.987 11.073 10.150 1.00 0.00 C ATOM 984 O ASN A 67 11.793 11.280 10.376 1.00 0.00 O ATOM 985 CB ASN A 67 13.843 13.418 9.716 1.00 0.00 C ATOM 986 CG ASN A 67 12.533 14.150 10.001 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.025 14.173 11.121 1.00 0.00 O ATOM 988 ND2 ASN A 67 11.988 14.810 8.998 1.00 0.00 N ATOM 0 H ASN A 67 15.826 11.980 9.505 1.00 0.00 H new ATOM 0 HA ASN A 67 13.851 12.344 11.598 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.676 14.091 9.916 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.885 13.165 8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.134 15.348 9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.420 14.782 8.074 1.00 0.00 H new ATOM 995 N PHE A 68 13.402 9.929 9.588 1.00 0.00 N ATOM 996 CA PHE A 68 12.517 8.846 9.185 1.00 0.00 C ATOM 997 C PHE A 68 12.957 7.527 9.835 1.00 0.00 C ATOM 998 O PHE A 68 13.881 7.488 10.651 1.00 0.00 O ATOM 999 CB PHE A 68 12.519 8.750 7.654 1.00 0.00 C ATOM 1000 CG PHE A 68 11.916 9.938 6.934 1.00 0.00 C ATOM 1001 CD1 PHE A 68 12.719 11.029 6.552 1.00 0.00 C ATOM 1002 CD2 PHE A 68 10.542 9.936 6.628 1.00 0.00 C ATOM 1003 CE1 PHE A 68 12.141 12.121 5.881 1.00 0.00 C ATOM 1004 CE2 PHE A 68 9.964 11.038 5.974 1.00 0.00 C ATOM 1005 CZ PHE A 68 10.763 12.135 5.605 1.00 0.00 C ATOM 0 H PHE A 68 14.385 9.734 9.400 1.00 0.00 H new ATOM 0 HA PHE A 68 11.500 9.048 9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.547 8.623 7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.974 7.853 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.776 11.027 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.931 9.087 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.759 12.953 5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.906 11.042 5.755 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.319 12.986 5.111 1.00 0.00 H new ATOM 1015 N ASN A 69 12.286 6.437 9.454 1.00 0.00 N ATOM 1016 CA ASN A 69 12.512 5.075 9.921 1.00 0.00 C ATOM 1017 C ASN A 69 12.441 4.135 8.721 1.00 0.00 C ATOM 1018 O ASN A 69 11.482 4.175 7.949 1.00 0.00 O ATOM 1019 CB ASN A 69 11.483 4.660 10.997 1.00 0.00 C ATOM 1020 CG ASN A 69 10.050 5.169 10.805 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.405 5.587 11.763 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.516 5.178 9.594 1.00 0.00 N ATOM 0 H ASN A 69 11.529 6.489 8.773 1.00 0.00 H new ATOM 0 HA ASN A 69 13.496 5.018 10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.455 3.571 11.041 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.842 5.009 11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.569 5.532 9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.051 4.831 8.798 1.00 0.00 H new ATOM 1029 N ALA A 70 13.442 3.267 8.592 1.00 0.00 N ATOM 1030 CA ALA A 70 13.597 2.341 7.477 1.00 0.00 C ATOM 1031 C ALA A 70 12.415 1.387 7.331 1.00 0.00 C ATOM 1032 O ALA A 70 12.127 0.952 6.221 1.00 0.00 O ATOM 1033 CB ALA A 70 14.876 1.519 7.677 1.00 0.00 C ATOM 0 H ALA A 70 14.189 3.188 9.282 1.00 0.00 H new ATOM 0 HA ALA A 70 13.650 2.939 6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.996 0.825 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.736 2.188 7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.807 0.959 8.610 1.00 0.00 H new ATOM 1039 N ASP A 71 11.728 1.073 8.433 1.00 0.00 N ATOM 1040 CA ASP A 71 10.619 0.121 8.463 1.00 0.00 C ATOM 1041 C ASP A 71 9.458 0.546 7.557 1.00 0.00 C ATOM 1042 O ASP A 71 8.667 -0.295 7.128 1.00 0.00 O ATOM 1043 CB ASP A 71 10.129 -0.037 9.907 1.00 0.00 C ATOM 1044 CG ASP A 71 8.960 -1.032 10.012 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.181 -2.252 9.841 1.00 0.00 O ATOM 1046 OD2 ASP A 71 7.823 -0.607 10.321 1.00 0.00 O ATOM 0 H ASP A 71 11.932 1.482 9.345 1.00 0.00 H new ATOM 0 HA ASP A 71 10.987 -0.832 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.953 -0.378 10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.815 0.933 10.292 1.00 0.00 H new ATOM 1051 N ASP A 72 9.355 1.842 7.243 1.00 0.00 N ATOM 1052 CA ASP A 72 8.285 2.384 6.427 1.00 0.00 C ATOM 1053 C ASP A 72 8.615 2.245 4.942 1.00 0.00 C ATOM 1054 O ASP A 72 7.726 2.390 4.110 1.00 0.00 O ATOM 1055 CB ASP A 72 8.035 3.848 6.810 1.00 0.00 C ATOM 1056 CG ASP A 72 6.792 4.440 6.129 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.698 3.836 6.209 1.00 0.00 O ATOM 1058 OD2 ASP A 72 6.872 5.567 5.591 1.00 0.00 O ATOM 0 H ASP A 72 10.025 2.545 7.556 1.00 0.00 H new ATOM 0 HA ASP A 72 7.372 1.818 6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.920 3.921 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.908 4.443 6.542 1.00 0.00 H new ATOM 1063 N TYR A 73 9.868 1.931 4.595 1.00 0.00 N ATOM 1064 CA TYR A 73 10.374 1.922 3.245 1.00 0.00 C ATOM 1065 C TYR A 73 10.606 0.485 2.796 1.00 0.00 C ATOM 1066 O TYR A 73 11.261 -0.302 3.478 1.00 0.00 O ATOM 1067 CB TYR A 73 11.621 2.809 3.158 1.00 0.00 C ATOM 1068 CG TYR A 73 11.283 4.273 3.387 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.797 5.044 2.317 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.387 4.846 4.671 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.409 6.376 2.523 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.013 6.186 4.891 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.506 6.950 3.811 1.00 0.00 C ATOM 1074 OH TYR A 73 10.135 8.241 4.007 1.00 0.00 O ATOM 0 H TYR A 73 10.573 1.668 5.283 1.00 0.00 H new ATOM 0 HA TYR A 73 9.646 2.346 2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.352 2.484 3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.085 2.691 2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.722 4.609 1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.757 4.252 5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.036 6.963 1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.112 6.626 5.872 1.00 0.00 H new ATOM 0 HH TYR A 73 10.375 8.516 4.917 1.00 0.00 H new ATOM 1084 N ASP A 74 10.036 0.133 1.644 1.00 0.00 N ATOM 1085 CA ASP A 74 10.227 -1.172 1.027 1.00 0.00 C ATOM 1086 C ASP A 74 11.621 -1.259 0.413 1.00 0.00 C ATOM 1087 O ASP A 74 12.297 -2.279 0.553 1.00 0.00 O ATOM 1088 CB ASP A 74 9.178 -1.396 -0.065 1.00 0.00 C ATOM 1089 CG ASP A 74 9.336 -2.793 -0.679 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.668 -3.734 -0.194 1.00 0.00 O ATOM 1091 OD2 ASP A 74 10.033 -2.933 -1.705 1.00 0.00 O ATOM 0 H ASP A 74 9.425 0.752 1.112 1.00 0.00 H new ATOM 0 HA ASP A 74 10.119 -1.939 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.178 -1.287 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.283 -0.637 -0.840 1.00 0.00 H new ATOM 1096 N VAL A 75 12.075 -0.170 -0.215 1.00 0.00 N ATOM 1097 CA VAL A 75 13.281 -0.174 -1.028 1.00 0.00 C ATOM 1098 C VAL A 75 14.160 1.015 -0.678 1.00 0.00 C ATOM 1099 O VAL A 75 13.666 2.130 -0.511 1.00 0.00 O ATOM 1100 CB VAL A 75 12.898 -0.294 -2.519 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.667 0.466 -3.019 1.00 0.00 C ATOM 1102 CG2 VAL A 75 14.077 -0.026 -3.468 1.00 0.00 C ATOM 0 H VAL A 75 11.611 0.737 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 75 13.896 -1.047 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 75 12.603 -1.343 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.532 0.279 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.785 0.126 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.806 1.534 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.743 -0.126 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.453 0.984 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.872 -0.746 -3.273 1.00 0.00 H new ATOM 1112 N VAL A 76 15.464 0.766 -0.561 1.00 0.00 N ATOM 1113 CA VAL A 76 16.425 1.723 -0.053 1.00 0.00 C ATOM 1114 C VAL A 76 17.597 1.837 -1.027 1.00 0.00 C ATOM 1115 O VAL A 76 18.397 0.920 -1.220 1.00 0.00 O ATOM 1116 CB VAL A 76 16.833 1.337 1.380 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.773 1.838 2.365 1.00 0.00 C ATOM 1118 CG2 VAL A 76 17.034 -0.166 1.621 1.00 0.00 C ATOM 0 H VAL A 76 15.882 -0.126 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 76 15.987 2.719 0.015 1.00 0.00 H new ATOM 0 HB VAL A 76 17.804 1.808 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.061 1.565 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.691 2.922 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.811 1.384 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 76 17.319 -0.333 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.105 -0.696 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 76 17.821 -0.538 0.964 1.00 0.00 H new ATOM 1128 N ILE A 77 17.671 2.991 -1.676 1.00 0.00 N ATOM 1129 CA ILE A 77 18.625 3.266 -2.725 1.00 0.00 C ATOM 1130 C ILE A 77 19.622 4.257 -2.174 1.00 0.00 C ATOM 1131 O ILE A 77 19.360 5.457 -2.098 1.00 0.00 O ATOM 1132 CB ILE A 77 17.901 3.774 -3.985 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.917 2.733 -4.553 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.909 4.198 -5.061 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.523 1.358 -4.862 1.00 0.00 C ATOM 0 H ILE A 77 17.051 3.777 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 77 19.157 2.366 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 77 17.318 4.644 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.102 2.601 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.479 3.133 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.374 4.553 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.540 4.997 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.530 3.345 -5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.749 0.700 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.317 1.468 -5.601 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.934 0.928 -3.949 1.00 0.00 H new ATOM 1147 N SER A 78 20.751 3.743 -1.718 1.00 0.00 N ATOM 1148 CA SER A 78 21.852 4.626 -1.417 1.00 0.00 C ATOM 1149 C SER A 78 22.434 5.091 -2.756 1.00 0.00 C ATOM 1150 O SER A 78 22.243 4.466 -3.804 1.00 0.00 O ATOM 1151 CB SER A 78 22.878 3.925 -0.543 1.00 0.00 C ATOM 1152 OG SER A 78 22.308 3.762 0.735 1.00 0.00 O ATOM 0 H SER A 78 20.923 2.751 -1.554 1.00 0.00 H new ATOM 0 HA SER A 78 21.523 5.494 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 78 23.147 2.958 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.794 4.512 -0.482 1.00 0.00 H new ATOM 0 HG SER A 78 22.647 4.458 1.336 1.00 0.00 H new ATOM 1158 N LEU A 79 23.094 6.238 -2.735 1.00 0.00 N ATOM 1159 CA LEU A 79 23.756 6.856 -3.867 1.00 0.00 C ATOM 1160 C LEU A 79 24.826 7.735 -3.236 1.00 0.00 C ATOM 1161 O LEU A 79 24.725 8.962 -3.212 1.00 0.00 O ATOM 1162 CB LEU A 79 22.793 7.580 -4.850 1.00 0.00 C ATOM 1163 CG LEU A 79 21.299 7.738 -4.475 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.123 8.952 -3.581 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.423 7.920 -5.719 1.00 0.00 C ATOM 0 H LEU A 79 23.186 6.790 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 79 24.200 6.121 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.194 8.579 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.837 7.049 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 79 20.991 6.830 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.071 9.061 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.712 8.824 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.460 9.844 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.381 8.028 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.739 8.813 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.525 7.049 -6.367 1.00 0.00 H new ATOM 1177 N CYS A 80 25.799 7.079 -2.600 1.00 0.00 N ATOM 1178 CA CYS A 80 26.789 7.733 -1.756 1.00 0.00 C ATOM 1179 C CYS A 80 28.135 7.800 -2.470 1.00 0.00 C ATOM 1180 O CYS A 80 28.744 8.869 -2.480 1.00 0.00 O ATOM 1181 CB CYS A 80 26.860 7.005 -0.415 1.00 0.00 C ATOM 1182 SG CYS A 80 25.246 7.079 0.415 1.00 0.00 S ATOM 0 H CYS A 80 25.919 6.068 -2.660 1.00 0.00 H new ATOM 0 HA CYS A 80 26.498 8.764 -1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.152 5.966 -0.570 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.624 7.460 0.215 1.00 0.00 H new ATOM 0 HG CYS A 80 25.315 6.455 1.554 1.00 0.00 H new ATOM 1188 N GLY A 81 28.586 6.731 -3.127 1.00 0.00 N ATOM 1189 CA GLY A 81 29.740 6.789 -4.027 1.00 0.00 C ATOM 1190 C GLY A 81 30.675 5.602 -3.867 1.00 0.00 C ATOM 1191 O GLY A 81 30.442 4.548 -4.458 1.00 0.00 O ATOM 0 H GLY A 81 28.165 5.805 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 81 29.389 6.832 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.294 7.709 -3.841 1.00 0.00 H new ATOM 1195 N CYS A 82 31.741 5.775 -3.082 1.00 0.00 N ATOM 1196 CA CYS A 82 32.870 4.847 -2.958 1.00 0.00 C ATOM 1197 C CYS A 82 32.542 3.616 -2.091 1.00 0.00 C ATOM 1198 O CYS A 82 33.352 3.196 -1.261 1.00 0.00 O ATOM 1199 CB CYS A 82 34.086 5.619 -2.412 1.00 0.00 C ATOM 1200 SG CYS A 82 34.441 7.085 -3.431 1.00 0.00 S ATOM 0 H CYS A 82 31.846 6.599 -2.491 1.00 0.00 H new ATOM 0 HA CYS A 82 33.099 4.449 -3.947 1.00 0.00 H new ATOM 0 HB2 CYS A 82 33.895 5.925 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 82 34.958 4.965 -2.394 1.00 0.00 H new ATOM 0 HG CYS A 82 35.469 7.714 -2.943 1.00 0.00 H new ATOM 1206 N GLY A 83 31.328 3.077 -2.218 1.00 0.00 N ATOM 1207 CA GLY A 83 30.803 2.018 -1.366 1.00 0.00 C ATOM 1208 C GLY A 83 30.442 2.513 0.033 1.00 0.00 C ATOM 1209 O GLY A 83 30.252 1.707 0.948 1.00 0.00 O ATOM 0 H GLY A 83 30.668 3.376 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.918 1.586 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 83 31.543 1.221 -1.286 1.00 0.00 H new ATOM 1213 N VAL A 84 30.354 3.834 0.211 1.00 0.00 N ATOM 1214 CA VAL A 84 29.806 4.442 1.410 1.00 0.00 C ATOM 1215 C VAL A 84 28.372 3.898 1.501 1.00 0.00 C ATOM 1216 O VAL A 84 27.621 3.929 0.527 1.00 0.00 O ATOM 1217 CB VAL A 84 29.961 5.973 1.366 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.242 6.660 2.536 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.447 6.369 1.398 1.00 0.00 C ATOM 0 H VAL A 84 30.666 4.512 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 84 30.332 4.186 2.329 1.00 0.00 H new ATOM 0 HB VAL A 84 29.505 6.306 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.379 7.739 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.178 6.425 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 84 29.658 6.304 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.535 7.455 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 84 31.904 5.995 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 84 31.957 5.938 0.536 1.00 0.00 H new ATOM 1229 N ASN A 85 28.032 3.312 2.645 1.00 0.00 N ATOM 1230 CA ASN A 85 26.805 2.543 2.858 1.00 0.00 C ATOM 1231 C ASN A 85 26.212 2.895 4.220 1.00 0.00 C ATOM 1232 O ASN A 85 26.745 3.752 4.928 1.00 0.00 O ATOM 1233 CB ASN A 85 27.039 1.030 2.703 1.00 0.00 C ATOM 1234 CG ASN A 85 27.990 0.504 3.762 1.00 0.00 C ATOM 1235 OD1 ASN A 85 27.596 -0.058 4.778 1.00 0.00 O ATOM 1236 ND2 ASN A 85 29.266 0.730 3.526 1.00 0.00 N ATOM 0 H ASN A 85 28.620 3.359 3.477 1.00 0.00 H new ATOM 0 HA ASN A 85 26.085 2.815 2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 85 26.087 0.504 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.445 0.823 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 85 29.970 0.434 4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 85 29.550 1.201 2.667 1.00 0.00 H new ATOM 1243 N LEU A 86 25.104 2.244 4.580 1.00 0.00 N ATOM 1244 CA LEU A 86 24.284 2.606 5.727 1.00 0.00 C ATOM 1245 C LEU A 86 24.365 1.500 6.785 1.00 0.00 C ATOM 1246 O LEU A 86 23.813 0.425 6.559 1.00 0.00 O ATOM 1247 CB LEU A 86 22.827 2.831 5.263 1.00 0.00 C ATOM 1248 CG LEU A 86 22.649 3.831 4.101 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.162 4.001 3.777 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.247 5.204 4.413 1.00 0.00 C ATOM 0 H LEU A 86 24.749 1.436 4.069 1.00 0.00 H new ATOM 0 HA LEU A 86 24.650 3.531 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.407 1.871 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.243 3.181 6.114 1.00 0.00 H new ATOM 0 HG LEU A 86 23.183 3.417 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.047 4.709 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.740 3.038 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.639 4.377 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.094 5.869 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.758 5.622 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.315 5.101 4.606 1.00 0.00 H new ATOM 1262 N PRO A 87 25.047 1.714 7.926 1.00 0.00 N ATOM 1263 CA PRO A 87 24.982 0.805 9.066 1.00 0.00 C ATOM 1264 C PRO A 87 23.554 0.480 9.565 1.00 0.00 C ATOM 1265 O PRO A 87 23.329 -0.687 9.902 1.00 0.00 O ATOM 1266 CB PRO A 87 25.831 1.450 10.169 1.00 0.00 C ATOM 1267 CG PRO A 87 26.797 2.350 9.403 1.00 0.00 C ATOM 1268 CD PRO A 87 25.976 2.801 8.197 1.00 0.00 C ATOM 0 HA PRO A 87 25.362 -0.170 8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.217 2.022 10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.362 0.700 10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.123 3.197 10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 87 27.694 1.811 9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 87 25.443 3.728 8.410 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.617 2.992 7.336 1.00 0.00 H new ATOM 1276 N PRO A 88 22.595 1.435 9.665 1.00 0.00 N ATOM 1277 CA PRO A 88 21.254 1.145 10.183 1.00 0.00 C ATOM 1278 C PRO A 88 20.393 0.310 9.219 1.00 0.00 C ATOM 1279 O PRO A 88 20.815 -0.041 8.119 1.00 0.00 O ATOM 1280 CB PRO A 88 20.633 2.514 10.504 1.00 0.00 C ATOM 1281 CG PRO A 88 21.353 3.464 9.555 1.00 0.00 C ATOM 1282 CD PRO A 88 22.746 2.881 9.496 1.00 0.00 C ATOM 0 HA PRO A 88 21.311 0.516 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 88 19.556 2.516 10.333 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.791 2.792 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 88 20.882 3.489 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.358 4.487 9.932 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.224 3.113 8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.376 3.300 10.280 1.00 0.00 H new ATOM 1290 N GLU A 89 19.147 0.029 9.623 1.00 0.00 N ATOM 1291 CA GLU A 89 18.187 -0.864 8.958 1.00 0.00 C ATOM 1292 C GLU A 89 17.844 -0.457 7.518 1.00 0.00 C ATOM 1293 O GLU A 89 17.192 -1.201 6.786 1.00 0.00 O ATOM 1294 CB GLU A 89 16.886 -0.931 9.773 1.00 0.00 C ATOM 1295 CG GLU A 89 17.041 -1.418 11.215 1.00 0.00 C ATOM 1296 CD GLU A 89 17.607 -2.847 11.317 1.00 0.00 C ATOM 1297 OE1 GLU A 89 16.846 -3.824 11.133 1.00 0.00 O ATOM 1298 OE2 GLU A 89 18.808 -3.006 11.632 1.00 0.00 O ATOM 0 H GLU A 89 18.759 0.442 10.471 1.00 0.00 H new ATOM 0 HA GLU A 89 18.676 -1.837 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.435 0.061 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.188 -1.590 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.698 -0.735 11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.070 -1.383 11.710 1.00 0.00 H new ATOM 1305 N TRP A 90 18.300 0.709 7.072 1.00 0.00 N ATOM 1306 CA TRP A 90 18.256 1.157 5.692 1.00 0.00 C ATOM 1307 C TRP A 90 19.162 0.319 4.767 1.00 0.00 C ATOM 1308 O TRP A 90 19.394 0.706 3.624 1.00 0.00 O ATOM 1309 CB TRP A 90 18.646 2.631 5.665 1.00 0.00 C ATOM 1310 CG TRP A 90 17.850 3.539 6.553 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.129 3.834 7.839 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.647 4.299 6.244 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.262 4.784 8.317 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.297 5.089 7.382 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.814 4.392 5.115 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.187 5.943 7.383 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.671 5.205 5.122 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.361 5.983 6.248 1.00 0.00 C ATOM 0 H TRP A 90 18.729 1.395 7.693 1.00 0.00 H new ATOM 0 HA TRP A 90 17.245 1.024 5.306 1.00 0.00 H new ATOM 0 HB2 TRP A 90 19.697 2.713 5.943 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.559 2.990 4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.925 3.384 8.414 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.324 5.208 9.242 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.058 3.828 4.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.970 6.560 8.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.026 5.232 4.256 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.485 6.614 6.242 1.00 0.00 H new ATOM 1329 N VAL A 91 19.673 -0.821 5.238 1.00 0.00 N ATOM 1330 CA VAL A 91 20.381 -1.819 4.452 1.00 0.00 C ATOM 1331 C VAL A 91 19.725 -3.211 4.581 1.00 0.00 C ATOM 1332 O VAL A 91 20.222 -4.171 3.992 1.00 0.00 O ATOM 1333 CB VAL A 91 21.886 -1.748 4.806 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.235 -2.451 6.128 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.794 -2.273 3.685 1.00 0.00 C ATOM 0 H VAL A 91 19.598 -1.080 6.222 1.00 0.00 H new ATOM 0 HA VAL A 91 20.305 -1.607 3.385 1.00 0.00 H new ATOM 0 HB VAL A 91 22.080 -0.683 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.305 -2.363 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.684 -1.984 6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.963 -3.505 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.836 -2.196 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.552 -3.316 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.639 -1.680 2.784 1.00 0.00 H new ATOM 1345 N THR A 92 18.600 -3.344 5.301 1.00 0.00 N ATOM 1346 CA THR A 92 17.970 -4.630 5.611 1.00 0.00 C ATOM 1347 C THR A 92 16.481 -4.668 5.227 1.00 0.00 C ATOM 1348 O THR A 92 15.723 -5.516 5.707 1.00 0.00 O ATOM 1349 CB THR A 92 18.224 -4.989 7.091 1.00 0.00 C ATOM 1350 OG1 THR A 92 17.765 -3.953 7.935 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.709 -5.199 7.404 1.00 0.00 C ATOM 0 H THR A 92 18.097 -2.546 5.689 1.00 0.00 H new ATOM 0 HA THR A 92 18.433 -5.400 4.994 1.00 0.00 H new ATOM 0 HB THR A 92 17.685 -5.920 7.267 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.481 -3.189 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.827 -5.449 8.458 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.098 -6.013 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.260 -4.285 7.184 1.00 0.00 H new ATOM 1359 N GLN A 93 16.062 -3.762 4.341 1.00 0.00 N ATOM 1360 CA GLN A 93 14.727 -3.784 3.742 1.00 0.00 C ATOM 1361 C GLN A 93 14.732 -4.703 2.507 1.00 0.00 C ATOM 1362 O GLN A 93 15.716 -5.404 2.250 1.00 0.00 O ATOM 1363 CB GLN A 93 14.225 -2.358 3.449 1.00 0.00 C ATOM 1364 CG GLN A 93 14.334 -1.396 4.646 1.00 0.00 C ATOM 1365 CD GLN A 93 13.713 -1.968 5.928 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.557 -2.383 5.967 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.484 -2.054 7.001 1.00 0.00 N ATOM 0 H GLN A 93 16.643 -2.988 4.018 1.00 0.00 H new ATOM 0 HA GLN A 93 14.011 -4.202 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.794 -1.948 2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.184 -2.409 3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.384 -1.167 4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.841 -0.456 4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.444 -1.710 6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.118 -2.465 7.860 1.00 0.00 H new ATOM 1376 N GLU A 94 13.627 -4.741 1.758 1.00 0.00 N ATOM 1377 CA GLU A 94 13.411 -5.719 0.697 1.00 0.00 C ATOM 1378 C GLU A 94 14.379 -5.560 -0.475 1.00 0.00 C ATOM 1379 O GLU A 94 14.763 -6.565 -1.078 1.00 0.00 O ATOM 1380 CB GLU A 94 11.956 -5.669 0.206 1.00 0.00 C ATOM 1381 CG GLU A 94 10.924 -6.019 1.292 1.00 0.00 C ATOM 1382 CD GLU A 94 11.128 -7.428 1.880 1.00 0.00 C ATOM 1383 OE1 GLU A 94 10.832 -8.431 1.191 1.00 0.00 O ATOM 1384 OE2 GLU A 94 11.565 -7.550 3.047 1.00 0.00 O ATOM 0 H GLU A 94 12.853 -4.087 1.874 1.00 0.00 H new ATOM 0 HA GLU A 94 13.612 -6.698 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.745 -4.670 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.840 -6.360 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.985 -5.284 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.922 -5.948 0.870 1.00 0.00 H new ATOM 1391 N ILE A 95 14.802 -4.332 -0.781 1.00 0.00 N ATOM 1392 CA ILE A 95 15.726 -4.043 -1.875 1.00 0.00 C ATOM 1393 C ILE A 95 16.738 -3.040 -1.332 1.00 0.00 C ATOM 1394 O ILE A 95 16.329 -2.061 -0.704 1.00 0.00 O ATOM 1395 CB ILE A 95 14.941 -3.490 -3.076 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.964 -4.573 -3.592 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.893 -2.986 -4.187 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.366 -4.292 -4.966 1.00 0.00 C ATOM 0 H ILE A 95 14.508 -3.501 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 95 16.247 -4.934 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 95 14.359 -2.625 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.488 -5.528 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.152 -4.682 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.307 -2.602 -5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.526 -2.191 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.518 -3.810 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.695 -5.105 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.809 -3.356 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.166 -4.215 -5.702 1.00 0.00 H new ATOM 1410 N PHE A 96 18.026 -3.236 -1.625 1.00 0.00 N ATOM 1411 CA PHE A 96 19.077 -2.276 -1.363 1.00 0.00 C ATOM 1412 C PHE A 96 19.996 -2.235 -2.577 1.00 0.00 C ATOM 1413 O PHE A 96 20.333 -3.281 -3.137 1.00 0.00 O ATOM 1414 CB PHE A 96 19.895 -2.632 -0.108 1.00 0.00 C ATOM 1415 CG PHE A 96 21.100 -1.714 0.066 1.00 0.00 C ATOM 1416 CD1 PHE A 96 22.327 -2.022 -0.564 1.00 0.00 C ATOM 1417 CD2 PHE A 96 20.953 -0.478 0.722 1.00 0.00 C ATOM 1418 CE1 PHE A 96 23.377 -1.084 -0.575 1.00 0.00 C ATOM 1419 CE2 PHE A 96 22.023 0.432 0.756 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.231 0.135 0.106 1.00 0.00 C ATOM 0 H PHE A 96 18.365 -4.093 -2.062 1.00 0.00 H new ATOM 0 HA PHE A 96 18.619 -1.304 -1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.256 -2.563 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.233 -3.666 -0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.460 -2.982 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.017 -0.229 1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.292 -1.302 -1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.915 1.367 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.046 0.843 0.130 1.00 0.00 H new ATOM 1430 N GLU A 97 20.428 -1.032 -2.941 1.00 0.00 N ATOM 1431 CA GLU A 97 21.483 -0.772 -3.906 1.00 0.00 C ATOM 1432 C GLU A 97 22.214 0.493 -3.456 1.00 0.00 C ATOM 1433 O GLU A 97 21.654 1.314 -2.732 1.00 0.00 O ATOM 1434 CB GLU A 97 20.929 -0.547 -5.323 1.00 0.00 C ATOM 1435 CG GLU A 97 20.542 -1.844 -6.032 1.00 0.00 C ATOM 1436 CD GLU A 97 20.179 -1.607 -7.510 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.345 -0.721 -7.805 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.722 -2.320 -8.386 1.00 0.00 O ATOM 0 H GLU A 97 20.033 -0.176 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 97 22.145 -1.637 -3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 97 20.055 0.102 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.676 -0.024 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.369 -2.551 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.695 -2.299 -5.519 1.00 0.00 H new ATOM 1445 N ASP A 98 23.441 0.661 -3.945 1.00 0.00 N ATOM 1446 CA ASP A 98 24.238 1.881 -3.836 1.00 0.00 C ATOM 1447 C ASP A 98 24.631 2.345 -5.240 1.00 0.00 C ATOM 1448 O ASP A 98 25.561 1.806 -5.845 1.00 0.00 O ATOM 1449 CB ASP A 98 25.465 1.743 -2.928 1.00 0.00 C ATOM 1450 CG ASP A 98 26.297 3.045 -2.941 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.713 4.150 -2.837 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.540 2.956 -3.052 1.00 0.00 O ATOM 0 H ASP A 98 23.927 -0.080 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 98 23.617 2.635 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.148 1.517 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.080 0.908 -3.263 1.00 0.00 H new ATOM 1457 N TRP A 99 23.863 3.280 -5.799 1.00 0.00 N ATOM 1458 CA TRP A 99 24.062 3.842 -7.129 1.00 0.00 C ATOM 1459 C TRP A 99 25.263 4.793 -7.109 1.00 0.00 C ATOM 1460 O TRP A 99 25.147 5.977 -6.788 1.00 0.00 O ATOM 1461 CB TRP A 99 22.774 4.512 -7.625 1.00 0.00 C ATOM 1462 CG TRP A 99 21.522 3.695 -7.765 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.351 2.366 -7.570 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.213 4.199 -8.153 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.037 2.020 -7.825 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.274 3.123 -8.147 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.741 5.482 -8.498 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.912 3.326 -8.434 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.384 5.699 -8.778 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.480 4.627 -8.741 1.00 0.00 C ATOM 0 H TRP A 99 23.057 3.679 -5.318 1.00 0.00 H new ATOM 0 HA TRP A 99 24.289 3.048 -7.841 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.552 5.336 -6.947 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.988 4.951 -8.600 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.125 1.679 -7.261 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.676 1.067 -7.781 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.434 6.309 -8.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.215 2.501 -8.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.035 6.691 -9.022 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.436 4.805 -8.952 1.00 0.00 H new ATOM 1481 N GLN A 100 26.435 4.252 -7.435 1.00 0.00 N ATOM 1482 CA GLN A 100 27.677 4.992 -7.596 1.00 0.00 C ATOM 1483 C GLN A 100 27.559 5.938 -8.802 1.00 0.00 C ATOM 1484 O GLN A 100 27.744 5.521 -9.947 1.00 0.00 O ATOM 1485 CB GLN A 100 28.821 3.972 -7.722 1.00 0.00 C ATOM 1486 CG GLN A 100 30.211 4.613 -7.837 1.00 0.00 C ATOM 1487 CD GLN A 100 31.309 3.550 -7.763 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.890 3.154 -8.771 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.602 3.052 -6.573 1.00 0.00 N ATOM 0 H GLN A 100 26.546 3.251 -7.599 1.00 0.00 H new ATOM 0 HA GLN A 100 27.890 5.626 -6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.805 3.313 -6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.645 3.348 -8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.288 5.157 -8.778 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.348 5.340 -7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 100 31.112 3.389 -5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.318 2.331 -6.484 1.00 0.00 H new ATOM 1498 N LEU A 101 27.240 7.209 -8.539 1.00 0.00 N ATOM 1499 CA LEU A 101 27.115 8.278 -9.529 1.00 0.00 C ATOM 1500 C LEU A 101 28.006 9.451 -9.141 1.00 0.00 C ATOM 1501 O LEU A 101 28.279 9.651 -7.955 1.00 0.00 O ATOM 1502 CB LEU A 101 25.660 8.783 -9.588 1.00 0.00 C ATOM 1503 CG LEU A 101 24.698 8.054 -10.541 1.00 0.00 C ATOM 1504 CD1 LEU A 101 25.244 7.828 -11.953 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.225 6.726 -9.969 1.00 0.00 C ATOM 0 H LEU A 101 27.054 7.532 -7.590 1.00 0.00 H new ATOM 0 HA LEU A 101 27.412 7.880 -10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.243 8.729 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.680 9.836 -9.869 1.00 0.00 H new ATOM 0 HG LEU A 101 23.856 8.740 -10.633 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.497 7.308 -12.553 1.00 0.00 H new ATOM 0 HD12 LEU A 101 25.473 8.789 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 101 26.151 7.226 -11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.548 6.246 -10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 101 25.084 6.079 -9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 101 23.704 6.900 -9.028 1.00 0.00 H new ATOM 1517 N GLU A 102 28.382 10.258 -10.135 1.00 0.00 N ATOM 1518 CA GLU A 102 29.249 11.421 -10.025 1.00 0.00 C ATOM 1519 C GLU A 102 28.502 12.631 -9.476 1.00 0.00 C ATOM 1520 O GLU A 102 28.287 13.616 -10.177 1.00 0.00 O ATOM 1521 CB GLU A 102 29.963 11.698 -11.364 1.00 0.00 C ATOM 1522 CG GLU A 102 30.920 10.561 -11.752 1.00 0.00 C ATOM 1523 CD GLU A 102 31.701 10.890 -13.037 1.00 0.00 C ATOM 1524 OE1 GLU A 102 31.218 10.573 -14.148 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.822 11.441 -12.948 1.00 0.00 O ATOM 0 H GLU A 102 28.068 10.103 -11.093 1.00 0.00 H new ATOM 0 HA GLU A 102 30.029 11.203 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.220 11.831 -12.150 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.520 12.632 -11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.620 10.380 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.353 9.641 -11.896 1.00 0.00 H new ATOM 1532 N ASP A 103 28.102 12.490 -8.210 1.00 0.00 N ATOM 1533 CA ASP A 103 27.545 13.485 -7.293 1.00 0.00 C ATOM 1534 C ASP A 103 27.615 14.926 -7.832 1.00 0.00 C ATOM 1535 O ASP A 103 28.659 15.579 -7.729 1.00 0.00 O ATOM 1536 CB ASP A 103 28.269 13.356 -5.962 1.00 0.00 C ATOM 1537 CG ASP A 103 27.553 14.169 -4.877 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.875 15.362 -4.710 1.00 0.00 O ATOM 1539 OD2 ASP A 103 26.690 13.591 -4.180 1.00 0.00 O ATOM 0 H ASP A 103 28.168 11.579 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 103 26.480 13.283 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.315 12.308 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.297 13.704 -6.066 1.00 0.00 H new ATOM 1544 N PRO A 104 26.545 15.386 -8.504 1.00 0.00 N ATOM 1545 CA PRO A 104 26.513 16.630 -9.261 1.00 0.00 C ATOM 1546 C PRO A 104 26.785 17.933 -8.499 1.00 0.00 C ATOM 1547 O PRO A 104 26.860 18.981 -9.136 1.00 0.00 O ATOM 1548 CB PRO A 104 25.160 16.669 -9.959 1.00 0.00 C ATOM 1549 CG PRO A 104 24.794 15.201 -10.101 1.00 0.00 C ATOM 1550 CD PRO A 104 25.431 14.539 -8.889 1.00 0.00 C ATOM 0 HA PRO A 104 27.360 16.604 -9.947 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.420 17.212 -9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.222 17.163 -10.929 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.713 15.059 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.178 14.783 -11.031 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.713 14.446 -8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.772 13.532 -9.130 1.00 0.00 H new ATOM 1558 N ASP A 105 26.953 17.915 -7.178 1.00 0.00 N ATOM 1559 CA ASP A 105 27.302 19.095 -6.386 1.00 0.00 C ATOM 1560 C ASP A 105 28.577 19.776 -6.915 1.00 0.00 C ATOM 1561 O ASP A 105 29.701 19.336 -6.662 1.00 0.00 O ATOM 1562 CB ASP A 105 27.423 18.726 -4.904 1.00 0.00 C ATOM 1563 CG ASP A 105 27.660 19.958 -4.013 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.804 20.456 -3.922 1.00 0.00 O ATOM 1565 OD2 ASP A 105 26.698 20.408 -3.354 1.00 0.00 O ATOM 0 H ASP A 105 26.849 17.068 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 105 26.497 19.823 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.514 18.218 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.245 18.022 -4.773 1.00 0.00 H new ATOM 1570 N GLY A 106 28.383 20.838 -7.700 1.00 0.00 N ATOM 1571 CA GLY A 106 29.411 21.760 -8.168 1.00 0.00 C ATOM 1572 C GLY A 106 30.036 21.351 -9.503 1.00 0.00 C ATOM 1573 O GLY A 106 31.126 21.831 -9.824 1.00 0.00 O ATOM 0 H GLY A 106 27.455 21.088 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 106 28.977 22.755 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.196 21.829 -7.415 1.00 0.00 H new ATOM 1577 N GLN A 107 29.399 20.454 -10.265 1.00 0.00 N ATOM 1578 CA GLN A 107 30.014 19.836 -11.440 1.00 0.00 C ATOM 1579 C GLN A 107 29.661 20.564 -12.742 1.00 0.00 C ATOM 1580 O GLN A 107 28.922 21.553 -12.755 1.00 0.00 O ATOM 1581 CB GLN A 107 29.607 18.358 -11.532 1.00 0.00 C ATOM 1582 CG GLN A 107 29.723 17.570 -10.225 1.00 0.00 C ATOM 1583 CD GLN A 107 31.129 17.319 -9.686 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.140 17.788 -10.203 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.205 16.536 -8.624 1.00 0.00 N ATOM 0 H GLN A 107 28.446 20.139 -10.083 1.00 0.00 H new ATOM 0 HA GLN A 107 31.094 19.913 -11.315 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.576 18.302 -11.881 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.226 17.873 -12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.157 18.100 -9.459 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.238 16.604 -10.368 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.354 16.156 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.114 16.312 -8.220 1.00 0.00 H new ATOM 1594 N SER A 108 30.201 20.050 -13.847 1.00 0.00 N ATOM 1595 CA SER A 108 29.940 20.511 -15.202 1.00 0.00 C ATOM 1596 C SER A 108 28.570 20.012 -15.668 1.00 0.00 C ATOM 1597 O SER A 108 28.107 18.963 -15.210 1.00 0.00 O ATOM 1598 CB SER A 108 31.040 19.929 -16.097 1.00 0.00 C ATOM 1599 OG SER A 108 32.326 20.328 -15.641 1.00 0.00 O ATOM 0 H SER A 108 30.858 19.270 -13.817 1.00 0.00 H new ATOM 0 HA SER A 108 29.938 21.600 -15.248 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.973 18.841 -16.103 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.894 20.263 -17.124 1.00 0.00 H new ATOM 0 HG SER A 108 33.014 19.945 -16.225 1.00 0.00 H new ATOM 1605 N LEU A 109 27.942 20.705 -16.628 1.00 0.00 N ATOM 1606 CA LEU A 109 26.626 20.318 -17.145 1.00 0.00 C ATOM 1607 C LEU A 109 26.646 18.913 -17.730 1.00 0.00 C ATOM 1608 O LEU A 109 25.642 18.214 -17.656 1.00 0.00 O ATOM 1609 CB LEU A 109 26.114 21.286 -18.223 1.00 0.00 C ATOM 1610 CG LEU A 109 25.829 22.711 -17.717 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.403 23.595 -18.895 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.739 22.753 -16.636 1.00 0.00 C ATOM 0 H LEU A 109 28.329 21.542 -17.064 1.00 0.00 H new ATOM 0 HA LEU A 109 25.952 20.352 -16.289 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.850 21.339 -19.025 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.200 20.878 -18.656 1.00 0.00 H new ATOM 0 HG LEU A 109 26.750 23.081 -17.266 1.00 0.00 H new ATOM 0 HD11 LEU A 109 25.201 24.605 -18.538 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.203 23.625 -19.635 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.502 23.184 -19.351 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.582 23.784 -16.318 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.810 22.352 -17.041 1.00 0.00 H new ATOM 0 HD23 LEU A 109 25.051 22.153 -15.781 1.00 0.00 H new ATOM 1624 N GLU A 110 27.774 18.485 -18.296 1.00 0.00 N ATOM 1625 CA GLU A 110 27.923 17.140 -18.834 1.00 0.00 C ATOM 1626 C GLU A 110 27.806 16.089 -17.721 1.00 0.00 C ATOM 1627 O GLU A 110 27.143 15.069 -17.912 1.00 0.00 O ATOM 1628 CB GLU A 110 29.263 17.059 -19.578 1.00 0.00 C ATOM 1629 CG GLU A 110 29.454 15.719 -20.301 1.00 0.00 C ATOM 1630 CD GLU A 110 30.755 15.702 -21.123 1.00 0.00 C ATOM 1631 OE1 GLU A 110 31.822 15.338 -20.578 1.00 0.00 O ATOM 1632 OE2 GLU A 110 30.724 16.035 -22.330 1.00 0.00 O ATOM 0 H GLU A 110 28.608 19.064 -18.393 1.00 0.00 H new ATOM 0 HA GLU A 110 27.120 16.925 -19.539 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.322 17.871 -20.303 1.00 0.00 H new ATOM 0 HB3 GLU A 110 30.078 17.205 -18.869 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.473 14.910 -19.571 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.604 15.535 -20.959 1.00 0.00 H new ATOM 1639 N VAL A 111 28.389 16.342 -16.543 1.00 0.00 N ATOM 1640 CA VAL A 111 28.275 15.448 -15.391 1.00 0.00 C ATOM 1641 C VAL A 111 26.818 15.435 -14.938 1.00 0.00 C ATOM 1642 O VAL A 111 26.241 14.361 -14.768 1.00 0.00 O ATOM 1643 CB VAL A 111 29.220 15.897 -14.263 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.075 15.018 -13.014 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.688 15.872 -14.719 1.00 0.00 C ATOM 0 H VAL A 111 28.953 17.173 -16.365 1.00 0.00 H new ATOM 0 HA VAL A 111 28.572 14.436 -15.665 1.00 0.00 H new ATOM 0 HB VAL A 111 28.935 16.919 -14.013 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.759 15.368 -12.241 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.051 15.076 -12.645 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.312 13.985 -13.267 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.329 16.195 -13.899 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.960 14.859 -15.015 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.817 16.545 -15.567 1.00 0.00 H new ATOM 1655 N PHE A 112 26.208 16.618 -14.807 1.00 0.00 N ATOM 1656 CA PHE A 112 24.808 16.756 -14.442 1.00 0.00 C ATOM 1657 C PHE A 112 23.920 15.941 -15.379 1.00 0.00 C ATOM 1658 O PHE A 112 23.154 15.110 -14.906 1.00 0.00 O ATOM 1659 CB PHE A 112 24.403 18.231 -14.478 1.00 0.00 C ATOM 1660 CG PHE A 112 24.549 18.969 -13.171 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.567 18.827 -12.170 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.658 19.805 -12.957 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.712 19.499 -10.947 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.811 20.460 -11.729 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.853 20.282 -10.722 1.00 0.00 C ATOM 0 H PHE A 112 26.682 17.509 -14.954 1.00 0.00 H new ATOM 0 HA PHE A 112 24.675 16.374 -13.430 1.00 0.00 H new ATOM 0 HB2 PHE A 112 25.005 18.738 -15.232 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.364 18.298 -14.801 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.704 18.202 -12.344 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.391 19.942 -13.738 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.951 19.414 -10.185 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.664 21.100 -11.559 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.995 20.754 -9.761 1.00 0.00 H new ATOM 1675 N ARG A 113 24.025 16.141 -16.695 1.00 0.00 N ATOM 1676 CA ARG A 113 23.239 15.420 -17.694 1.00 0.00 C ATOM 1677 C ARG A 113 23.478 13.919 -17.622 1.00 0.00 C ATOM 1678 O ARG A 113 22.503 13.169 -17.692 1.00 0.00 O ATOM 1679 CB ARG A 113 23.553 15.977 -19.098 1.00 0.00 C ATOM 1680 CG ARG A 113 22.675 17.201 -19.404 1.00 0.00 C ATOM 1681 CD ARG A 113 23.366 18.278 -20.235 1.00 0.00 C ATOM 1682 NE ARG A 113 22.407 19.325 -20.623 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.712 20.459 -21.265 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.973 20.751 -21.581 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.739 21.297 -21.590 1.00 0.00 N ATOM 0 H ARG A 113 24.669 16.820 -17.101 1.00 0.00 H new ATOM 0 HA ARG A 113 22.181 15.575 -17.483 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.606 16.254 -19.158 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.383 15.204 -19.848 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.781 16.869 -19.932 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.345 17.641 -18.463 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.183 18.719 -19.663 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.806 17.831 -21.127 1.00 0.00 H new ATOM 0 HE ARG A 113 21.427 19.174 -20.382 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.723 20.106 -21.334 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.188 21.620 -22.070 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.773 21.074 -21.351 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.956 22.165 -22.079 1.00 0.00 H new ATOM 1699 N THR A 114 24.725 13.473 -17.449 1.00 0.00 N ATOM 1700 CA THR A 114 25.040 12.064 -17.365 1.00 0.00 C ATOM 1701 C THR A 114 24.325 11.459 -16.154 1.00 0.00 C ATOM 1702 O THR A 114 23.578 10.490 -16.298 1.00 0.00 O ATOM 1703 CB THR A 114 26.571 11.928 -17.305 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.159 12.469 -18.472 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.000 10.473 -17.195 1.00 0.00 C ATOM 0 H THR A 114 25.536 14.086 -17.365 1.00 0.00 H new ATOM 0 HA THR A 114 24.690 11.510 -18.236 1.00 0.00 H new ATOM 0 HB THR A 114 26.903 12.471 -16.420 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.487 13.373 -18.284 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.088 10.416 -17.155 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.580 10.038 -16.288 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.640 9.921 -18.063 1.00 0.00 H new ATOM 1713 N VAL A 115 24.496 12.050 -14.969 1.00 0.00 N ATOM 1714 CA VAL A 115 23.879 11.551 -13.752 1.00 0.00 C ATOM 1715 C VAL A 115 22.360 11.645 -13.860 1.00 0.00 C ATOM 1716 O VAL A 115 21.689 10.675 -13.537 1.00 0.00 O ATOM 1717 CB VAL A 115 24.445 12.295 -12.534 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.717 11.938 -11.230 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.945 12.009 -12.351 1.00 0.00 C ATOM 0 H VAL A 115 25.066 12.885 -14.833 1.00 0.00 H new ATOM 0 HA VAL A 115 24.119 10.496 -13.615 1.00 0.00 H new ATOM 0 HB VAL A 115 24.289 13.354 -12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.159 12.493 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.662 12.198 -11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.812 10.869 -11.041 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.315 12.551 -11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.096 10.940 -12.204 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.488 12.334 -13.238 1.00 0.00 H new ATOM 1729 N ARG A 116 21.799 12.752 -14.348 1.00 0.00 N ATOM 1730 CA ARG A 116 20.356 12.952 -14.449 1.00 0.00 C ATOM 1731 C ARG A 116 19.730 11.848 -15.291 1.00 0.00 C ATOM 1732 O ARG A 116 18.726 11.263 -14.884 1.00 0.00 O ATOM 1733 CB ARG A 116 20.110 14.364 -15.011 1.00 0.00 C ATOM 1734 CG ARG A 116 18.636 14.791 -15.078 1.00 0.00 C ATOM 1735 CD ARG A 116 17.802 14.476 -16.335 1.00 0.00 C ATOM 1736 NE ARG A 116 18.594 14.351 -17.575 1.00 0.00 N ATOM 1737 CZ ARG A 116 19.055 15.354 -18.332 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.758 16.615 -18.046 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.828 15.092 -19.378 1.00 0.00 N ATOM 0 H ARG A 116 22.343 13.545 -14.688 1.00 0.00 H new ATOM 0 HA ARG A 116 19.876 12.888 -13.473 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.653 15.082 -14.397 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.534 14.418 -16.014 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.127 14.336 -14.228 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.603 15.870 -14.929 1.00 0.00 H new ATOM 0 HD2 ARG A 116 17.256 13.547 -16.171 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.059 15.262 -16.470 1.00 0.00 H new ATOM 0 HE ARG A 116 18.812 13.404 -17.886 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.171 16.831 -17.240 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.117 17.369 -18.632 1.00 0.00 H new ATOM 0 HH21 ARG A 116 20.070 14.127 -19.604 1.00 0.00 H new ATOM 0 HH22 ARG A 116 20.180 15.855 -19.956 1.00 0.00 H new ATOM 1753 N GLY A 117 20.346 11.533 -16.432 1.00 0.00 N ATOM 1754 CA GLY A 117 19.880 10.461 -17.293 1.00 0.00 C ATOM 1755 C GLY A 117 19.990 9.111 -16.598 1.00 0.00 C ATOM 1756 O GLY A 117 18.996 8.385 -16.556 1.00 0.00 O ATOM 0 H GLY A 117 21.176 12.014 -16.778 1.00 0.00 H new ATOM 0 HA2 GLY A 117 18.844 10.643 -17.577 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.465 10.449 -18.212 1.00 0.00 H new ATOM 1760 N GLN A 118 21.147 8.786 -16.004 1.00 0.00 N ATOM 1761 CA GLN A 118 21.332 7.511 -15.323 1.00 0.00 C ATOM 1762 C GLN A 118 20.335 7.350 -14.182 1.00 0.00 C ATOM 1763 O GLN A 118 19.667 6.330 -14.096 1.00 0.00 O ATOM 1764 CB GLN A 118 22.755 7.352 -14.773 1.00 0.00 C ATOM 1765 CG GLN A 118 23.816 7.071 -15.848 1.00 0.00 C ATOM 1766 CD GLN A 118 25.054 6.371 -15.275 1.00 0.00 C ATOM 1767 OE1 GLN A 118 24.950 5.426 -14.492 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.248 6.805 -15.642 1.00 0.00 N ATOM 0 H GLN A 118 21.966 9.394 -15.985 1.00 0.00 H new ATOM 0 HA GLN A 118 21.161 6.735 -16.069 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.029 8.260 -14.236 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.764 6.538 -14.048 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.381 6.451 -16.631 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.115 8.010 -16.314 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.329 7.588 -16.291 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.088 6.357 -15.276 1.00 0.00 H new ATOM 1777 N VAL A 119 20.222 8.348 -13.313 1.00 0.00 N ATOM 1778 CA VAL A 119 19.299 8.364 -12.186 1.00 0.00 C ATOM 1779 C VAL A 119 17.876 8.102 -12.675 1.00 0.00 C ATOM 1780 O VAL A 119 17.224 7.225 -12.114 1.00 0.00 O ATOM 1781 CB VAL A 119 19.444 9.685 -11.393 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.351 9.858 -10.335 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.789 9.713 -10.645 1.00 0.00 C ATOM 0 H VAL A 119 20.788 9.194 -13.376 1.00 0.00 H new ATOM 0 HA VAL A 119 19.544 7.561 -11.490 1.00 0.00 H new ATOM 0 HB VAL A 119 19.371 10.485 -12.129 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.500 10.801 -9.808 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.374 9.863 -10.819 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.399 9.033 -9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.878 10.648 -10.091 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.837 8.874 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.606 9.637 -11.363 1.00 0.00 H new ATOM 1793 N LYS A 120 17.392 8.778 -13.726 1.00 0.00 N ATOM 1794 CA LYS A 120 16.035 8.534 -14.214 1.00 0.00 C ATOM 1795 C LYS A 120 15.874 7.080 -14.647 1.00 0.00 C ATOM 1796 O LYS A 120 14.915 6.418 -14.257 1.00 0.00 O ATOM 1797 CB LYS A 120 15.726 9.519 -15.355 1.00 0.00 C ATOM 1798 CG LYS A 120 14.354 9.271 -15.999 1.00 0.00 C ATOM 1799 CD LYS A 120 14.075 10.304 -17.099 1.00 0.00 C ATOM 1800 CE LYS A 120 12.732 10.061 -17.805 1.00 0.00 C ATOM 1801 NZ LYS A 120 12.740 8.857 -18.676 1.00 0.00 N ATOM 0 H LYS A 120 17.912 9.486 -14.245 1.00 0.00 H new ATOM 0 HA LYS A 120 15.315 8.703 -13.413 1.00 0.00 H new ATOM 0 HB2 LYS A 120 15.763 10.538 -14.969 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.500 9.439 -16.118 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.321 8.266 -16.420 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.575 9.323 -15.238 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.078 11.303 -16.664 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.879 10.274 -17.834 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.948 9.954 -17.055 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.481 10.935 -18.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 11.882 8.848 -19.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.580 8.878 -19.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.764 8.001 -18.085 1.00 0.00 H new ATOM 1815 N GLU A 121 16.830 6.574 -15.416 1.00 0.00 N ATOM 1816 CA GLU A 121 16.856 5.203 -15.894 1.00 0.00 C ATOM 1817 C GLU A 121 16.842 4.220 -14.719 1.00 0.00 C ATOM 1818 O GLU A 121 16.153 3.198 -14.752 1.00 0.00 O ATOM 1819 CB GLU A 121 18.103 5.056 -16.794 1.00 0.00 C ATOM 1820 CG GLU A 121 18.972 3.812 -16.582 1.00 0.00 C ATOM 1821 CD GLU A 121 20.019 3.654 -17.698 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.711 3.034 -18.742 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.167 4.126 -17.538 1.00 0.00 O ATOM 0 H GLU A 121 17.629 7.124 -15.731 1.00 0.00 H new ATOM 0 HA GLU A 121 15.967 4.967 -16.479 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.774 5.066 -17.833 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.730 5.936 -16.650 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.475 3.879 -15.617 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.338 2.926 -16.549 1.00 0.00 H new ATOM 1830 N ARG A 122 17.609 4.515 -13.674 1.00 0.00 N ATOM 1831 CA ARG A 122 17.738 3.649 -12.515 1.00 0.00 C ATOM 1832 C ARG A 122 16.442 3.671 -11.703 1.00 0.00 C ATOM 1833 O ARG A 122 15.990 2.598 -11.317 1.00 0.00 O ATOM 1834 CB ARG A 122 18.973 4.051 -11.701 1.00 0.00 C ATOM 1835 CG ARG A 122 20.313 3.712 -12.377 1.00 0.00 C ATOM 1836 CD ARG A 122 21.450 4.466 -11.677 1.00 0.00 C ATOM 1837 NE ARG A 122 22.757 4.234 -12.322 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.701 3.368 -11.933 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.486 2.523 -10.926 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.866 3.368 -12.569 1.00 0.00 N ATOM 0 H ARG A 122 18.162 5.370 -13.611 1.00 0.00 H new ATOM 0 HA ARG A 122 17.892 2.616 -12.827 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.936 5.124 -11.512 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.932 3.555 -10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.493 2.638 -12.331 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.278 3.984 -13.432 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.231 5.534 -11.680 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.502 4.154 -10.634 1.00 0.00 H new ATOM 0 HE ARG A 122 22.963 4.792 -13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.591 2.529 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.217 1.870 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.028 4.019 -13.337 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.600 2.717 -12.289 1.00 0.00 H new ATOM 1854 N VAL A 123 15.791 4.823 -11.494 1.00 0.00 N ATOM 1855 CA VAL A 123 14.451 4.884 -10.923 1.00 0.00 C ATOM 1856 C VAL A 123 13.492 4.003 -11.739 1.00 0.00 C ATOM 1857 O VAL A 123 12.755 3.219 -11.146 1.00 0.00 O ATOM 1858 CB VAL A 123 13.980 6.349 -10.831 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.535 6.438 -10.332 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.833 7.173 -9.852 1.00 0.00 C ATOM 0 H VAL A 123 16.185 5.737 -11.718 1.00 0.00 H new ATOM 0 HA VAL A 123 14.463 4.489 -9.907 1.00 0.00 H new ATOM 0 HB VAL A 123 14.073 6.748 -11.841 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.232 7.484 -10.278 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.879 5.905 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.464 5.988 -9.342 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.463 8.198 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.770 6.734 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.871 7.172 -10.184 1.00 0.00 H new ATOM 1870 N GLU A 124 13.508 4.075 -13.076 1.00 0.00 N ATOM 1871 CA GLU A 124 12.619 3.261 -13.904 1.00 0.00 C ATOM 1872 C GLU A 124 12.891 1.769 -13.701 1.00 0.00 C ATOM 1873 O GLU A 124 11.957 0.972 -13.597 1.00 0.00 O ATOM 1874 CB GLU A 124 12.736 3.627 -15.395 1.00 0.00 C ATOM 1875 CG GLU A 124 12.114 4.990 -15.724 1.00 0.00 C ATOM 1876 CD GLU A 124 12.164 5.316 -17.226 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.523 4.604 -18.034 1.00 0.00 O ATOM 1878 OE2 GLU A 124 12.815 6.315 -17.608 1.00 0.00 O ATOM 0 H GLU A 124 14.128 4.689 -13.604 1.00 0.00 H new ATOM 0 HA GLU A 124 11.599 3.475 -13.585 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.788 3.634 -15.681 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.249 2.857 -15.993 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.077 5.003 -15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.639 5.768 -15.169 1.00 0.00 H new ATOM 1885 N ASN A 125 14.166 1.393 -13.592 1.00 0.00 N ATOM 1886 CA ASN A 125 14.568 0.023 -13.314 1.00 0.00 C ATOM 1887 C ASN A 125 14.059 -0.410 -11.947 1.00 0.00 C ATOM 1888 O ASN A 125 13.534 -1.512 -11.811 1.00 0.00 O ATOM 1889 CB ASN A 125 16.093 -0.155 -13.387 1.00 0.00 C ATOM 1890 CG ASN A 125 16.560 -0.465 -14.802 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.776 -1.620 -15.158 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.710 0.544 -15.641 1.00 0.00 N ATOM 0 H ASN A 125 14.950 2.038 -13.696 1.00 0.00 H new ATOM 0 HA ASN A 125 14.123 -0.608 -14.083 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.582 0.753 -13.034 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.397 -0.961 -12.719 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.009 0.369 -16.600 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.526 1.498 -15.330 1.00 0.00 H new ATOM 1899 N LEU A 126 14.199 0.443 -10.933 1.00 0.00 N ATOM 1900 CA LEU A 126 13.782 0.118 -9.577 1.00 0.00 C ATOM 1901 C LEU A 126 12.272 -0.081 -9.531 1.00 0.00 C ATOM 1902 O LEU A 126 11.834 -1.105 -9.023 1.00 0.00 O ATOM 1903 CB LEU A 126 14.390 1.074 -8.529 1.00 0.00 C ATOM 1904 CG LEU A 126 13.416 2.089 -7.918 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.592 1.494 -6.772 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.139 3.303 -7.356 1.00 0.00 C ATOM 0 H LEU A 126 14.603 1.374 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 126 14.201 -0.843 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.818 0.477 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.212 1.619 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 126 12.761 2.377 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.919 2.254 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.009 0.651 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.261 1.153 -5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.412 3.996 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.833 2.985 -6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.692 3.799 -8.154 1.00 0.00 H new ATOM 1918 N ILE A 127 11.486 0.817 -10.130 1.00 0.00 N ATOM 1919 CA ILE A 127 10.047 0.670 -10.277 1.00 0.00 C ATOM 1920 C ILE A 127 9.737 -0.682 -10.923 1.00 0.00 C ATOM 1921 O ILE A 127 8.813 -1.353 -10.471 1.00 0.00 O ATOM 1922 CB ILE A 127 9.488 1.860 -11.092 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.501 3.164 -10.258 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.053 1.561 -11.548 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.272 4.442 -11.081 1.00 0.00 C ATOM 0 H ILE A 127 11.846 1.682 -10.533 1.00 0.00 H new ATOM 0 HA ILE A 127 9.558 0.685 -9.303 1.00 0.00 H new ATOM 0 HB ILE A 127 10.128 1.998 -11.963 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.731 3.098 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.459 3.243 -9.744 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.670 2.406 -12.121 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.048 0.667 -12.172 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.421 1.398 -10.675 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.296 5.309 -10.421 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.056 4.536 -11.833 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.301 4.388 -11.574 1.00 0.00 H new ATOM 1937 N ALA A 128 10.484 -1.116 -11.938 1.00 0.00 N ATOM 1938 CA ALA A 128 10.169 -2.344 -12.659 1.00 0.00 C ATOM 1939 C ALA A 128 10.259 -3.574 -11.745 1.00 0.00 C ATOM 1940 O ALA A 128 9.522 -4.544 -11.930 1.00 0.00 O ATOM 1941 CB ALA A 128 11.078 -2.501 -13.882 1.00 0.00 C ATOM 0 H ALA A 128 11.314 -0.631 -12.279 1.00 0.00 H new ATOM 0 HA ALA A 128 9.138 -2.271 -13.005 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.827 -3.423 -14.406 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.936 -1.653 -14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.119 -2.539 -13.560 1.00 0.00 H new ATOM 1947 N LYS A 129 11.146 -3.530 -10.746 1.00 0.00 N ATOM 1948 CA LYS A 129 11.319 -4.578 -9.750 1.00 0.00 C ATOM 1949 C LYS A 129 10.119 -4.655 -8.802 1.00 0.00 C ATOM 1950 O LYS A 129 9.715 -5.755 -8.423 1.00 0.00 O ATOM 1951 CB LYS A 129 12.590 -4.307 -8.940 1.00 0.00 C ATOM 1952 CG LYS A 129 13.867 -4.343 -9.792 1.00 0.00 C ATOM 1953 CD LYS A 129 15.053 -3.816 -8.976 1.00 0.00 C ATOM 1954 CE LYS A 129 16.227 -3.366 -9.860 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.901 -4.496 -10.552 1.00 0.00 N ATOM 0 H LYS A 129 11.778 -2.741 -10.609 1.00 0.00 H new ATOM 0 HA LYS A 129 11.401 -5.531 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.507 -3.331 -8.461 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.671 -5.047 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.066 -5.363 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.734 -3.738 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.723 -2.978 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.394 -4.595 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.863 -2.657 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.956 -2.837 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.683 -4.131 -11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.275 -5.162 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.217 -4.987 -11.162 1.00 0.00 H new ATOM 1969 N ILE A 130 9.562 -3.505 -8.408 1.00 0.00 N ATOM 1970 CA ILE A 130 8.569 -3.390 -7.348 1.00 0.00 C ATOM 1971 C ILE A 130 7.116 -3.372 -7.832 1.00 0.00 C ATOM 1972 O ILE A 130 6.226 -3.781 -7.085 1.00 0.00 O ATOM 1973 CB ILE A 130 8.871 -2.147 -6.487 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.975 -0.828 -7.263 1.00 0.00 C ATOM 1975 CG2 ILE A 130 10.117 -2.425 -5.623 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.341 0.393 -6.413 1.00 0.00 C ATOM 0 H ILE A 130 9.799 -2.608 -8.832 1.00 0.00 H new ATOM 0 HA ILE A 130 8.657 -4.298 -6.752 1.00 0.00 H new ATOM 0 HB ILE A 130 8.005 -1.986 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.722 -0.943 -8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.022 -0.637 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.338 -1.551 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.928 -3.282 -4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.968 -2.639 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.391 1.277 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.583 0.541 -5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.310 0.230 -5.941 1.00 0.00 H new ATOM 1988 N SER A 131 6.894 -2.881 -9.050 1.00 0.00 N ATOM 1989 CA SER A 131 5.593 -2.753 -9.702 1.00 0.00 C ATOM 1990 C SER A 131 4.757 -4.026 -9.527 1.00 0.00 C ATOM 1991 O SER A 131 5.253 -5.129 -9.845 1.00 0.00 O ATOM 1992 CB SER A 131 5.782 -2.442 -11.188 1.00 0.00 C ATOM 1993 OG SER A 131 6.345 -1.155 -11.327 1.00 0.00 O ATOM 1994 OXT SER A 131 3.590 -3.918 -9.095 1.00 0.00 O ATOM 0 H SER A 131 7.656 -2.545 -9.638 1.00 0.00 H new ATOM 0 HA SER A 131 5.054 -1.932 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.431 -3.187 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.824 -2.491 -11.706 1.00 0.00 H new ATOM 0 HG SER A 131 7.191 -1.113 -10.834 1.00 0.00 H new TER 2000 SER A 131