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 29 LYS NZ :NH3+ 150:sc= 1.25 (180deg=-0.0709) USER MOD Set 1.2: A 131 SER OG : rot 70:sc= 2.37 USER MOD Set 2.1: A 78 SER OG : rot -104:sc= 1.72 USER MOD Set 2.2: A 80 CYS SG : rot 85:sc= 0.501 USER MOD Set 3.1: A 11 ASN : amide:sc= 1.53 K(o=8.9,f=-1.6) USER MOD Set 3.2: A 16 GLN : amide:sc= 1.74 K(o=8.9,f=-1.4) USER MOD Set 3.3: A 23 LYS NZ :NH3+ 174:sc= 1.17 (180deg=0) USER MOD Set 3.4: A 34 SER OG : rot -56:sc= 1.44 USER MOD Set 3.5: A 60 GLN : amide:sc= 1.85 K(o=8.9,f=2.3) USER MOD Set 3.6: A 62 SER OG : rot 176:sc= 1.2 USER MOD Set 4.1: A 8 CYS SG : rot -86:sc= 0.823 USER MOD Set 4.2: A 15 SER OG : rot 180:sc= 0.363 USER MOD Set 5.1: A 5 MET CE :methyl -114:sc= -0.286 (180deg=-1.17) USER MOD Set 5.2: A 35 CYS SG : rot -79:sc= 0.511 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0286 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= 2.13 (180deg=1.81) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0.973) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -82:sc= 0.957 USER MOD Single : A 13 CYS SG : rot -140:sc= 0.0236 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 40 SER OG : rot 21:sc= 1.02 USER MOD Single : A 43 HIS : no HD1:sc= -1.53 X(o=-1.5,f=-1.8) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 138:sc= -0.504 (180deg=-1.2) USER MOD Single : A 50 MET CE :methyl -127:sc= -3.75 (180deg=-13.8!) USER MOD Single : A 58 SER OG : rot 101:sc= 1.22 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.04 K(o=1,f=-0.54) USER MOD Single : A 69 ASN : amide:sc= 1.07 K(o=1.1,f=-0.051) USER MOD Single : A 73 TYR OH : rot -141:sc= 1.29 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.149 F(o=-0.69,f=-0.15) USER MOD Single : A 92 THR OG1 : rot -43:sc= 1.32 USER MOD Single : A 93 GLN : amide:sc= 0.11 X(o=0.11,f=-0.13) USER MOD Single : A 100 GLN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.791 K(o=0.79,f=-1.3) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 68:sc= 1.34 USER MOD Single : A 118 GLN : amide:sc= 0.877 K(o=0.88,f=-5.1!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 1.5 K(o=1.5,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.358 -0.873 -3.430 1.00 0.00 N ATOM 2 CA MET A 1 2.304 0.271 -3.423 1.00 0.00 C ATOM 3 C MET A 1 3.614 -0.128 -2.734 1.00 0.00 C ATOM 4 O MET A 1 3.613 -0.916 -1.786 1.00 0.00 O ATOM 5 CB MET A 1 1.664 1.524 -2.776 1.00 0.00 C ATOM 6 CG MET A 1 2.600 2.743 -2.708 1.00 0.00 C ATOM 7 SD MET A 1 1.806 4.328 -2.314 1.00 0.00 S ATOM 8 CE MET A 1 1.094 4.769 -3.928 1.00 0.00 C ATOM 0 H1 MET A 1 0.389 -0.523 -3.287 1.00 0.00 H new ATOM 0 H2 MET A 1 1.417 -1.366 -4.344 1.00 0.00 H new ATOM 0 H3 MET A 1 1.605 -1.532 -2.664 1.00 0.00 H new ATOM 0 HA MET A 1 2.538 0.536 -4.454 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.772 1.795 -3.340 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.339 1.272 -1.767 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.368 2.547 -1.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.108 2.841 -3.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.572 5.722 -3.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.891 4.853 -4.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.391 3.996 -4.239 1.00 0.00 H new ATOM 18 N LYS A 2 4.738 0.444 -3.184 1.00 0.00 N ATOM 19 CA LYS A 2 6.048 0.331 -2.535 1.00 0.00 C ATOM 20 C LYS A 2 6.522 1.728 -2.157 1.00 0.00 C ATOM 21 O LYS A 2 6.243 2.690 -2.877 1.00 0.00 O ATOM 22 CB LYS A 2 7.068 -0.326 -3.489 1.00 0.00 C ATOM 23 CG LYS A 2 7.349 -1.802 -3.184 1.00 0.00 C ATOM 24 CD LYS A 2 6.268 -2.783 -3.657 1.00 0.00 C ATOM 25 CE LYS A 2 6.817 -4.223 -3.726 1.00 0.00 C ATOM 26 NZ LYS A 2 7.273 -4.742 -2.414 1.00 0.00 N ATOM 0 H LYS A 2 4.761 1.012 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 2 5.962 -0.292 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.700 -0.241 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.005 0.229 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.296 -2.079 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.475 -1.917 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.417 -2.747 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.904 -2.482 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.042 -4.881 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.649 -4.254 -4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.948 -5.519 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.736 -3.979 -1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.455 -5.093 -1.876 1.00 0.00 H new ATOM 40 N LYS A 3 7.267 1.827 -1.056 1.00 0.00 N ATOM 41 CA LYS A 3 7.886 3.070 -0.612 1.00 0.00 C ATOM 42 C LYS A 3 9.358 3.049 -0.953 1.00 0.00 C ATOM 43 O LYS A 3 10.124 2.343 -0.299 1.00 0.00 O ATOM 44 CB LYS A 3 7.638 3.306 0.882 1.00 0.00 C ATOM 45 CG LYS A 3 6.372 4.163 1.000 1.00 0.00 C ATOM 46 CD LYS A 3 5.970 4.419 2.450 1.00 0.00 C ATOM 47 CE LYS A 3 4.907 5.517 2.519 1.00 0.00 C ATOM 48 NZ LYS A 3 4.536 5.820 3.920 1.00 0.00 N ATOM 0 H LYS A 3 7.458 1.035 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 3 7.429 3.910 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.512 2.358 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.489 3.811 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.535 5.117 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.552 3.666 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.585 3.502 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.844 4.713 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.282 6.420 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.022 5.204 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.878 6.625 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.079 4.989 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.391 6.060 4.461 1.00 0.00 H new ATOM 62 N VAL A 4 9.715 3.789 -1.993 1.00 0.00 N ATOM 63 CA VAL A 4 11.079 4.002 -2.441 1.00 0.00 C ATOM 64 C VAL A 4 11.735 5.053 -1.544 1.00 0.00 C ATOM 65 O VAL A 4 11.133 6.069 -1.190 1.00 0.00 O ATOM 66 CB VAL A 4 11.054 4.446 -3.917 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.467 4.557 -4.504 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.263 3.455 -4.787 1.00 0.00 C ATOM 0 H VAL A 4 9.031 4.277 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 4 11.663 3.084 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 4 10.573 5.424 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.405 4.872 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.040 5.290 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.962 3.587 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.265 3.797 -5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.727 2.470 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.236 3.394 -4.427 1.00 0.00 H new ATOM 78 N MET A 5 13.004 4.829 -1.235 1.00 0.00 N ATOM 79 CA MET A 5 13.858 5.761 -0.518 1.00 0.00 C ATOM 80 C MET A 5 15.134 5.972 -1.335 1.00 0.00 C ATOM 81 O MET A 5 15.640 5.003 -1.894 1.00 0.00 O ATOM 82 CB MET A 5 14.100 5.183 0.884 1.00 0.00 C ATOM 83 CG MET A 5 15.259 5.822 1.641 1.00 0.00 C ATOM 84 SD MET A 5 15.089 7.603 1.966 1.00 0.00 S ATOM 85 CE MET A 5 14.147 7.567 3.512 1.00 0.00 C ATOM 0 H MET A 5 13.482 3.964 -1.486 1.00 0.00 H new ATOM 0 HA MET A 5 13.406 6.745 -0.390 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.190 5.299 1.473 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.287 4.113 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.378 5.306 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.175 5.659 1.074 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.157 7.990 3.344 1.00 0.00 H new ATOM 0 HE2 MET A 5 14.048 6.537 3.854 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.668 8.153 4.269 1.00 0.00 H new ATOM 95 N PHE A 6 15.680 7.194 -1.373 1.00 0.00 N ATOM 96 CA PHE A 6 16.971 7.501 -2.004 1.00 0.00 C ATOM 97 C PHE A 6 17.882 8.178 -0.969 1.00 0.00 C ATOM 98 O PHE A 6 17.432 9.107 -0.302 1.00 0.00 O ATOM 99 CB PHE A 6 16.809 8.409 -3.224 1.00 0.00 C ATOM 100 CG PHE A 6 15.952 7.838 -4.330 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.516 6.958 -5.278 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.600 8.210 -4.426 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.729 6.432 -6.319 1.00 0.00 C ATOM 104 CE2 PHE A 6 13.830 7.679 -5.476 1.00 0.00 C ATOM 105 CZ PHE A 6 14.382 6.798 -6.412 1.00 0.00 C ATOM 0 H PHE A 6 15.230 8.011 -0.960 1.00 0.00 H new ATOM 0 HA PHE A 6 17.414 6.567 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.376 9.355 -2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.797 8.632 -3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.559 6.686 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.162 8.889 -3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.161 5.752 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.790 7.957 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.768 6.400 -7.207 1.00 0.00 H new ATOM 115 N VAL A 7 19.150 7.781 -0.826 1.00 0.00 N ATOM 116 CA VAL A 7 20.011 8.224 0.278 1.00 0.00 C ATOM 117 C VAL A 7 21.448 8.392 -0.214 1.00 0.00 C ATOM 118 O VAL A 7 22.023 7.421 -0.696 1.00 0.00 O ATOM 119 CB VAL A 7 19.984 7.173 1.412 1.00 0.00 C ATOM 120 CG1 VAL A 7 20.583 7.749 2.699 1.00 0.00 C ATOM 121 CG2 VAL A 7 18.593 6.607 1.713 1.00 0.00 C ATOM 0 H VAL A 7 19.611 7.142 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 7 19.642 9.179 0.651 1.00 0.00 H new ATOM 0 HB VAL A 7 20.588 6.343 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.554 6.993 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 7 21.616 8.045 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.005 8.619 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.664 5.878 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.928 7.417 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.196 6.123 0.821 1.00 0.00 H new ATOM 131 N CYS A 8 22.069 9.571 -0.081 1.00 0.00 N ATOM 132 CA CYS A 8 23.479 9.732 -0.447 1.00 0.00 C ATOM 133 C CYS A 8 24.250 10.453 0.644 1.00 0.00 C ATOM 134 O CYS A 8 23.697 10.870 1.658 1.00 0.00 O ATOM 135 CB CYS A 8 23.661 10.398 -1.829 1.00 0.00 C ATOM 136 SG CYS A 8 23.401 12.186 -1.866 1.00 0.00 S ATOM 0 H CYS A 8 21.623 10.417 0.273 1.00 0.00 H new ATOM 0 HA CYS A 8 23.902 8.732 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 8 24.669 10.187 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.970 9.933 -2.532 1.00 0.00 H new ATOM 0 HG CYS A 8 22.136 12.437 -2.032 1.00 0.00 H new ATOM 142 N LYS A 9 25.544 10.645 0.403 1.00 0.00 N ATOM 143 CA LYS A 9 26.465 11.322 1.304 1.00 0.00 C ATOM 144 C LYS A 9 26.114 12.800 1.565 1.00 0.00 C ATOM 145 O LYS A 9 26.704 13.383 2.473 1.00 0.00 O ATOM 146 CB LYS A 9 27.894 11.109 0.750 1.00 0.00 C ATOM 147 CG LYS A 9 28.639 10.050 1.575 1.00 0.00 C ATOM 148 CD LYS A 9 29.948 9.638 0.890 1.00 0.00 C ATOM 149 CE LYS A 9 30.804 8.701 1.759 1.00 0.00 C ATOM 150 NZ LYS A 9 31.426 9.392 2.920 1.00 0.00 N ATOM 0 H LYS A 9 25.993 10.322 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 9 26.387 10.883 2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.843 10.796 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.444 12.050 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.853 10.443 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.003 9.175 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.719 9.143 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.524 10.531 0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 9 30.183 7.882 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.588 8.259 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 31.990 8.711 3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.042 10.157 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 30.681 9.792 3.526 1.00 0.00 H new ATOM 164 N ARG A 10 25.172 13.410 0.823 1.00 0.00 N ATOM 165 CA ARG A 10 24.769 14.811 1.031 1.00 0.00 C ATOM 166 C ARG A 10 23.280 15.123 0.817 1.00 0.00 C ATOM 167 O ARG A 10 22.861 16.224 1.156 1.00 0.00 O ATOM 168 CB ARG A 10 25.647 15.730 0.151 1.00 0.00 C ATOM 169 CG ARG A 10 25.469 15.541 -1.372 1.00 0.00 C ATOM 170 CD ARG A 10 26.127 16.677 -2.165 1.00 0.00 C ATOM 171 NE ARG A 10 27.553 16.432 -2.419 1.00 0.00 N ATOM 172 CZ ARG A 10 28.607 16.924 -1.761 1.00 0.00 C ATOM 173 NH1 ARG A 10 28.456 17.706 -0.695 1.00 0.00 N ATOM 174 NH2 ARG A 10 29.816 16.613 -2.205 1.00 0.00 N ATOM 0 H ARG A 10 24.671 12.947 0.065 1.00 0.00 H new ATOM 0 HA ARG A 10 24.928 15.003 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.425 16.767 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.693 15.558 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.903 14.588 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.407 15.498 -1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 10 25.608 16.801 -3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.014 17.612 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 10 27.766 15.807 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 10 27.521 17.942 -0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.276 18.070 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.920 16.015 -3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 10 30.643 16.971 -1.727 1.00 0.00 H new ATOM 188 N ASN A 11 22.478 14.202 0.263 1.00 0.00 N ATOM 189 CA ASN A 11 21.090 14.368 -0.226 1.00 0.00 C ATOM 190 C ASN A 11 20.946 15.352 -1.402 1.00 0.00 C ATOM 191 O ASN A 11 20.223 15.039 -2.346 1.00 0.00 O ATOM 192 CB ASN A 11 20.117 14.745 0.899 1.00 0.00 C ATOM 193 CG ASN A 11 18.687 14.898 0.378 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.161 15.999 0.303 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.028 13.816 0.003 1.00 0.00 N ATOM 0 H ASN A 11 22.803 13.244 0.132 1.00 0.00 H new ATOM 0 HA ASN A 11 20.823 13.383 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.142 13.980 1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.438 15.678 1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.075 13.897 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.472 12.900 0.068 1.00 0.00 H new ATOM 202 N SER A 12 21.657 16.483 -1.372 1.00 0.00 N ATOM 203 CA SER A 12 21.556 17.663 -2.231 1.00 0.00 C ATOM 204 C SER A 12 21.197 17.467 -3.701 1.00 0.00 C ATOM 205 O SER A 12 20.487 18.310 -4.251 1.00 0.00 O ATOM 206 CB SER A 12 22.899 18.396 -2.187 1.00 0.00 C ATOM 207 OG SER A 12 23.253 18.702 -0.858 1.00 0.00 O ATOM 0 H SER A 12 22.391 16.605 -0.675 1.00 0.00 H new ATOM 0 HA SER A 12 20.707 18.207 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.672 17.777 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.839 19.313 -2.773 1.00 0.00 H new ATOM 0 HG SER A 12 22.795 19.522 -0.578 1.00 0.00 H new ATOM 213 N CYS A 13 21.716 16.430 -4.356 1.00 0.00 N ATOM 214 CA CYS A 13 21.610 16.276 -5.798 1.00 0.00 C ATOM 215 C CYS A 13 21.166 14.861 -6.128 1.00 0.00 C ATOM 216 O CYS A 13 20.005 14.687 -6.479 1.00 0.00 O ATOM 217 CB CYS A 13 22.932 16.689 -6.470 1.00 0.00 C ATOM 218 SG CYS A 13 24.380 16.004 -5.606 1.00 0.00 S ATOM 0 H CYS A 13 22.222 15.673 -3.896 1.00 0.00 H new ATOM 0 HA CYS A 13 20.847 16.941 -6.202 1.00 0.00 H new ATOM 0 HB2 CYS A 13 22.934 16.349 -7.506 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.004 17.776 -6.491 1.00 0.00 H new ATOM 0 HG CYS A 13 25.325 16.896 -5.568 1.00 0.00 H new ATOM 224 N ARG A 14 22.036 13.853 -5.964 1.00 0.00 N ATOM 225 CA ARG A 14 21.780 12.490 -6.453 1.00 0.00 C ATOM 226 C ARG A 14 20.399 12.007 -5.991 1.00 0.00 C ATOM 227 O ARG A 14 19.573 11.608 -6.812 1.00 0.00 O ATOM 228 CB ARG A 14 22.871 11.509 -5.969 1.00 0.00 C ATOM 229 CG ARG A 14 24.257 11.809 -6.558 1.00 0.00 C ATOM 230 CD ARG A 14 25.373 11.157 -5.733 1.00 0.00 C ATOM 231 NE ARG A 14 25.812 12.023 -4.613 1.00 0.00 N ATOM 232 CZ ARG A 14 26.703 11.687 -3.671 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.107 10.436 -3.540 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.211 12.624 -2.886 1.00 0.00 N ATOM 0 H ARG A 14 22.933 13.959 -5.491 1.00 0.00 H new ATOM 0 HA ARG A 14 21.803 12.516 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 14 22.929 11.548 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.582 10.493 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.303 11.446 -7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.412 12.887 -6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.023 10.203 -5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 14 26.223 10.941 -6.380 1.00 0.00 H new ATOM 0 HE ARG A 14 25.400 12.954 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.740 9.714 -4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.786 10.192 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.924 13.596 -3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.890 12.374 -2.167 1.00 0.00 H new ATOM 248 N SER A 15 20.135 12.093 -4.684 1.00 0.00 N ATOM 249 CA SER A 15 18.903 11.606 -4.083 1.00 0.00 C ATOM 250 C SER A 15 17.713 12.496 -4.452 1.00 0.00 C ATOM 251 O SER A 15 16.652 11.990 -4.809 1.00 0.00 O ATOM 252 CB SER A 15 19.056 11.565 -2.560 1.00 0.00 C ATOM 253 OG SER A 15 20.389 11.333 -2.143 1.00 0.00 O ATOM 0 H SER A 15 20.781 12.508 -4.012 1.00 0.00 H new ATOM 0 HA SER A 15 18.712 10.604 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.709 12.509 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.414 10.782 -2.157 1.00 0.00 H new ATOM 0 HG SER A 15 20.428 11.319 -1.164 1.00 0.00 H new ATOM 259 N GLN A 16 17.887 13.819 -4.373 1.00 0.00 N ATOM 260 CA GLN A 16 16.842 14.804 -4.652 1.00 0.00 C ATOM 261 C GLN A 16 16.322 14.676 -6.086 1.00 0.00 C ATOM 262 O GLN A 16 15.114 14.700 -6.327 1.00 0.00 O ATOM 263 CB GLN A 16 17.437 16.204 -4.419 1.00 0.00 C ATOM 264 CG GLN A 16 17.419 16.599 -2.939 1.00 0.00 C ATOM 265 CD GLN A 16 16.025 16.945 -2.410 1.00 0.00 C ATOM 266 OE1 GLN A 16 15.104 17.273 -3.154 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.853 16.881 -1.105 1.00 0.00 N ATOM 0 H GLN A 16 18.777 14.242 -4.108 1.00 0.00 H new ATOM 0 HA GLN A 16 15.994 14.634 -3.989 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.463 16.227 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.874 16.937 -4.996 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.829 15.779 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.076 17.456 -2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.628 16.607 -0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.945 17.106 -0.699 1.00 0.00 H new ATOM 276 N MET A 17 17.243 14.516 -7.034 1.00 0.00 N ATOM 277 CA MET A 17 16.958 14.335 -8.447 1.00 0.00 C ATOM 278 C MET A 17 16.208 13.020 -8.646 1.00 0.00 C ATOM 279 O MET A 17 15.157 13.006 -9.286 1.00 0.00 O ATOM 280 CB MET A 17 18.293 14.358 -9.207 1.00 0.00 C ATOM 281 CG MET A 17 18.906 15.772 -9.217 1.00 0.00 C ATOM 282 SD MET A 17 20.699 15.910 -9.487 1.00 0.00 S ATOM 283 CE MET A 17 20.884 15.033 -11.053 1.00 0.00 C ATOM 0 H MET A 17 18.242 14.509 -6.827 1.00 0.00 H new ATOM 0 HA MET A 17 16.323 15.133 -8.832 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.990 13.660 -8.743 1.00 0.00 H new ATOM 0 HB3 MET A 17 18.137 14.019 -10.231 1.00 0.00 H new ATOM 0 HG2 MET A 17 18.404 16.350 -9.993 1.00 0.00 H new ATOM 0 HG3 MET A 17 18.672 16.246 -8.264 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.933 15.034 -11.349 1.00 0.00 H new ATOM 0 HE2 MET A 17 20.541 14.005 -10.937 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.290 15.530 -11.820 1.00 0.00 H new ATOM 293 N ALA A 18 16.702 11.928 -8.051 1.00 0.00 N ATOM 294 CA ALA A 18 16.050 10.630 -8.140 1.00 0.00 C ATOM 295 C ALA A 18 14.616 10.695 -7.610 1.00 0.00 C ATOM 296 O ALA A 18 13.712 10.125 -8.223 1.00 0.00 O ATOM 297 CB ALA A 18 16.872 9.587 -7.381 1.00 0.00 C ATOM 0 H ALA A 18 17.560 11.926 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 18 15.994 10.337 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.381 8.616 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.869 9.521 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.953 9.879 -6.334 1.00 0.00 H new ATOM 303 N GLU A 19 14.397 11.429 -6.515 1.00 0.00 N ATOM 304 CA GLU A 19 13.071 11.617 -5.945 1.00 0.00 C ATOM 305 C GLU A 19 12.159 12.341 -6.935 1.00 0.00 C ATOM 306 O GLU A 19 11.039 11.885 -7.164 1.00 0.00 O ATOM 307 CB GLU A 19 13.156 12.320 -4.576 1.00 0.00 C ATOM 308 CG GLU A 19 11.791 12.830 -4.073 1.00 0.00 C ATOM 309 CD GLU A 19 11.773 13.251 -2.590 1.00 0.00 C ATOM 310 OE1 GLU A 19 12.846 13.418 -1.970 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.663 13.410 -2.034 1.00 0.00 O ATOM 0 H GLU A 19 15.138 11.907 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 19 12.621 10.642 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.571 11.627 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.847 13.160 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.488 13.681 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.047 12.048 -4.225 1.00 0.00 H new ATOM 318 N GLY A 20 12.635 13.429 -7.548 1.00 0.00 N ATOM 319 CA GLY A 20 11.871 14.190 -8.526 1.00 0.00 C ATOM 320 C GLY A 20 11.442 13.323 -9.716 1.00 0.00 C ATOM 321 O GLY A 20 10.283 13.396 -10.133 1.00 0.00 O ATOM 0 H GLY A 20 13.568 13.804 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.988 14.613 -8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.471 15.027 -8.884 1.00 0.00 H new ATOM 325 N PHE A 21 12.329 12.472 -10.255 1.00 0.00 N ATOM 326 CA PHE A 21 11.928 11.578 -11.342 1.00 0.00 C ATOM 327 C PHE A 21 10.928 10.558 -10.808 1.00 0.00 C ATOM 328 O PHE A 21 9.860 10.414 -11.386 1.00 0.00 O ATOM 329 CB PHE A 21 13.120 10.898 -12.040 1.00 0.00 C ATOM 330 CG PHE A 21 14.095 11.874 -12.671 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.695 12.722 -13.727 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.379 12.014 -12.118 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.526 13.783 -14.129 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.210 13.071 -12.521 1.00 0.00 C ATOM 335 CZ PHE A 21 15.756 13.979 -13.490 1.00 0.00 C ATOM 0 H PHE A 21 13.303 12.387 -9.963 1.00 0.00 H new ATOM 0 HA PHE A 21 11.453 12.182 -12.115 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.653 10.284 -11.314 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.743 10.225 -12.810 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.751 12.556 -14.226 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.728 11.306 -11.381 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.217 14.443 -14.926 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.193 13.185 -12.088 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.361 14.837 -13.745 1.00 0.00 H new ATOM 345 N ALA A 22 11.201 9.894 -9.685 1.00 0.00 N ATOM 346 CA ALA A 22 10.335 8.856 -9.134 1.00 0.00 C ATOM 347 C ALA A 22 8.916 9.357 -8.880 1.00 0.00 C ATOM 348 O ALA A 22 7.960 8.667 -9.233 1.00 0.00 O ATOM 349 CB ALA A 22 10.952 8.308 -7.848 1.00 0.00 C ATOM 0 H ALA A 22 12.038 10.065 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 22 10.256 8.058 -9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.306 7.533 -7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.932 7.885 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.058 9.115 -7.123 1.00 0.00 H new ATOM 355 N LYS A 23 8.751 10.563 -8.330 1.00 0.00 N ATOM 356 CA LYS A 23 7.426 11.124 -8.101 1.00 0.00 C ATOM 357 C LYS A 23 6.760 11.639 -9.382 1.00 0.00 C ATOM 358 O LYS A 23 5.632 12.117 -9.327 1.00 0.00 O ATOM 359 CB LYS A 23 7.452 12.189 -7.004 1.00 0.00 C ATOM 360 CG LYS A 23 8.101 13.485 -7.471 1.00 0.00 C ATOM 361 CD LYS A 23 8.238 14.446 -6.285 1.00 0.00 C ATOM 362 CE LYS A 23 7.807 15.818 -6.789 1.00 0.00 C ATOM 363 NZ LYS A 23 7.904 16.860 -5.738 1.00 0.00 N ATOM 0 H LYS A 23 9.520 11.165 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 23 6.801 10.302 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.433 12.394 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.994 11.804 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.081 13.279 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.499 13.943 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.613 14.125 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.266 14.471 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.429 16.102 -7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.780 15.764 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.699 17.791 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.217 16.658 -4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.865 16.863 -5.339 1.00 0.00 H new ATOM 377 N THR A 24 7.422 11.585 -10.530 1.00 0.00 N ATOM 378 CA THR A 24 6.804 11.842 -11.812 1.00 0.00 C ATOM 379 C THR A 24 6.464 10.511 -12.490 1.00 0.00 C ATOM 380 O THR A 24 5.361 10.322 -13.004 1.00 0.00 O ATOM 381 CB THR A 24 7.802 12.672 -12.639 1.00 0.00 C ATOM 382 OG1 THR A 24 8.201 13.827 -11.922 1.00 0.00 O ATOM 383 CG2 THR A 24 7.179 13.122 -13.954 1.00 0.00 C ATOM 0 H THR A 24 8.415 11.358 -10.592 1.00 0.00 H new ATOM 0 HA THR A 24 5.871 12.396 -11.710 1.00 0.00 H new ATOM 0 HB THR A 24 8.665 12.037 -12.839 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.934 13.597 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.905 13.707 -14.519 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.885 12.248 -14.535 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.300 13.734 -13.750 1.00 0.00 H new ATOM 391 N LEU A 25 7.417 9.580 -12.465 1.00 0.00 N ATOM 392 CA LEU A 25 7.382 8.300 -13.147 1.00 0.00 C ATOM 393 C LEU A 25 6.382 7.362 -12.491 1.00 0.00 C ATOM 394 O LEU A 25 5.661 6.650 -13.191 1.00 0.00 O ATOM 395 CB LEU A 25 8.785 7.679 -13.106 1.00 0.00 C ATOM 396 CG LEU A 25 9.854 8.459 -13.897 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.212 7.844 -13.570 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.592 8.426 -15.405 1.00 0.00 C ATOM 0 H LEU A 25 8.280 9.712 -11.937 1.00 0.00 H new ATOM 0 HA LEU A 25 7.070 8.455 -14.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.104 7.603 -12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.730 6.663 -13.498 1.00 0.00 H new ATOM 0 HG LEU A 25 9.825 9.509 -13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.993 8.375 -14.115 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.399 7.924 -12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.216 6.794 -13.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.370 8.988 -15.922 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.599 7.393 -15.753 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.621 8.873 -15.615 1.00 0.00 H new ATOM 410 N GLY A 26 6.341 7.376 -11.157 1.00 0.00 N ATOM 411 CA GLY A 26 5.599 6.389 -10.389 1.00 0.00 C ATOM 412 C GLY A 26 4.723 6.916 -9.254 1.00 0.00 C ATOM 413 O GLY A 26 4.071 6.091 -8.609 1.00 0.00 O ATOM 0 H GLY A 26 6.821 8.071 -10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.964 5.831 -11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.312 5.681 -9.967 1.00 0.00 H new ATOM 417 N ALA A 27 4.656 8.231 -9.000 1.00 0.00 N ATOM 418 CA ALA A 27 3.701 8.781 -8.036 1.00 0.00 C ATOM 419 C ALA A 27 2.286 8.321 -8.404 1.00 0.00 C ATOM 420 O ALA A 27 1.790 8.640 -9.487 1.00 0.00 O ATOM 421 CB ALA A 27 3.766 10.315 -7.970 1.00 0.00 C ATOM 0 H ALA A 27 5.250 8.928 -9.448 1.00 0.00 H new ATOM 0 HA ALA A 27 3.965 8.408 -7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.041 10.679 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.767 10.624 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.536 10.731 -8.951 1.00 0.00 H new ATOM 427 N GLY A 28 1.662 7.551 -7.510 1.00 0.00 N ATOM 428 CA GLY A 28 0.347 6.948 -7.708 1.00 0.00 C ATOM 429 C GLY A 28 0.397 5.428 -7.547 1.00 0.00 C ATOM 430 O GLY A 28 -0.613 4.824 -7.184 1.00 0.00 O ATOM 0 H GLY A 28 2.071 7.325 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.359 7.368 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.023 7.198 -8.703 1.00 0.00 H new ATOM 434 N LYS A 29 1.569 4.810 -7.753 1.00 0.00 N ATOM 435 CA LYS A 29 1.790 3.372 -7.578 1.00 0.00 C ATOM 436 C LYS A 29 2.994 3.092 -6.682 1.00 0.00 C ATOM 437 O LYS A 29 3.078 2.016 -6.092 1.00 0.00 O ATOM 438 CB LYS A 29 1.806 2.650 -8.940 1.00 0.00 C ATOM 439 CG LYS A 29 2.606 3.294 -10.093 1.00 0.00 C ATOM 440 CD LYS A 29 4.123 3.101 -10.003 1.00 0.00 C ATOM 441 CE LYS A 29 4.566 1.643 -10.188 1.00 0.00 C ATOM 442 NZ LYS A 29 4.307 1.152 -11.566 1.00 0.00 N ATOM 0 H LYS A 29 2.406 5.309 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 29 0.947 2.943 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.199 1.646 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.773 2.539 -9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.256 2.878 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.390 4.362 -10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.606 3.718 -10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.470 3.458 -9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.630 1.557 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.039 1.011 -9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.016 0.434 -11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.357 0.732 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.367 1.946 -12.235 1.00 0.00 H new ATOM 456 N ILE A 30 3.877 4.071 -6.505 1.00 0.00 N ATOM 457 CA ILE A 30 4.944 4.074 -5.521 1.00 0.00 C ATOM 458 C ILE A 30 4.855 5.421 -4.811 1.00 0.00 C ATOM 459 O ILE A 30 4.308 6.389 -5.351 1.00 0.00 O ATOM 460 CB ILE A 30 6.339 3.835 -6.140 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.749 4.853 -7.227 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.423 2.398 -6.680 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.266 5.073 -7.323 1.00 0.00 C ATOM 0 H ILE A 30 3.864 4.919 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 30 4.819 3.247 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 30 7.057 3.984 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.378 4.510 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.264 5.807 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.408 2.230 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.263 1.693 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.658 2.251 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.479 5.800 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.640 5.447 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.756 4.129 -7.560 1.00 0.00 H new ATOM 475 N ALA A 31 5.416 5.478 -3.612 1.00 0.00 N ATOM 476 CA ALA A 31 5.624 6.705 -2.871 1.00 0.00 C ATOM 477 C ALA A 31 7.125 6.811 -2.639 1.00 0.00 C ATOM 478 O ALA A 31 7.793 5.796 -2.448 1.00 0.00 O ATOM 479 CB ALA A 31 4.841 6.640 -1.557 1.00 0.00 C ATOM 0 H ALA A 31 5.746 4.649 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 31 5.269 7.585 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.995 7.562 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.779 6.519 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.191 5.793 -0.967 1.00 0.00 H new ATOM 485 N VAL A 32 7.660 8.024 -2.668 1.00 0.00 N ATOM 486 CA VAL A 32 9.081 8.270 -2.577 1.00 0.00 C ATOM 487 C VAL A 32 9.431 9.302 -1.509 1.00 0.00 C ATOM 488 O VAL A 32 8.628 10.175 -1.169 1.00 0.00 O ATOM 489 CB VAL A 32 9.540 8.692 -3.977 1.00 0.00 C ATOM 490 CG1 VAL A 32 8.791 9.883 -4.584 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.037 8.985 -4.011 1.00 0.00 C ATOM 0 H VAL A 32 7.104 8.875 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 32 9.605 7.369 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 32 9.300 7.827 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.193 10.099 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.731 9.642 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.915 10.756 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.327 9.281 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.266 9.793 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.589 8.091 -3.723 1.00 0.00 H new ATOM 501 N THR A 33 10.650 9.201 -0.983 1.00 0.00 N ATOM 502 CA THR A 33 11.290 10.192 -0.143 1.00 0.00 C ATOM 503 C THR A 33 12.801 10.060 -0.371 1.00 0.00 C ATOM 504 O THR A 33 13.288 8.952 -0.590 1.00 0.00 O ATOM 505 CB THR A 33 10.917 9.932 1.331 1.00 0.00 C ATOM 506 OG1 THR A 33 9.516 10.035 1.516 1.00 0.00 O ATOM 507 CG2 THR A 33 11.592 10.887 2.320 1.00 0.00 C ATOM 0 H THR A 33 11.240 8.385 -1.143 1.00 0.00 H new ATOM 0 HA THR A 33 10.965 11.203 -0.387 1.00 0.00 H new ATOM 0 HB THR A 33 11.274 8.924 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.297 9.866 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.280 10.640 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.675 10.789 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.303 11.913 2.091 1.00 0.00 H new ATOM 515 N SER A 34 13.556 11.155 -0.345 1.00 0.00 N ATOM 516 CA SER A 34 15.008 11.113 -0.310 1.00 0.00 C ATOM 517 C SER A 34 15.506 11.629 1.043 1.00 0.00 C ATOM 518 O SER A 34 14.809 12.380 1.733 1.00 0.00 O ATOM 519 CB SER A 34 15.608 11.872 -1.495 1.00 0.00 C ATOM 520 OG SER A 34 15.366 13.262 -1.452 1.00 0.00 O ATOM 0 H SER A 34 13.172 12.100 -0.348 1.00 0.00 H new ATOM 0 HA SER A 34 15.345 10.081 -0.412 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.684 11.699 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.198 11.468 -2.421 1.00 0.00 H new ATOM 0 HG SER A 34 14.401 13.425 -1.400 1.00 0.00 H new ATOM 526 N CYS A 35 16.726 11.246 1.420 1.00 0.00 N ATOM 527 CA CYS A 35 17.433 11.776 2.575 1.00 0.00 C ATOM 528 C CYS A 35 18.935 11.663 2.290 1.00 0.00 C ATOM 529 O CYS A 35 19.333 11.499 1.128 1.00 0.00 O ATOM 530 CB CYS A 35 16.958 11.074 3.861 1.00 0.00 C ATOM 531 SG CYS A 35 17.410 9.321 3.919 1.00 0.00 S ATOM 0 H CYS A 35 17.260 10.539 0.914 1.00 0.00 H new ATOM 0 HA CYS A 35 17.215 12.830 2.746 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.386 11.583 4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.875 11.167 3.940 1.00 0.00 H new ATOM 0 HG CYS A 35 16.583 8.635 3.187 1.00 0.00 H new ATOM 537 N GLY A 36 19.790 11.781 3.303 1.00 0.00 N ATOM 538 CA GLY A 36 21.220 11.576 3.139 1.00 0.00 C ATOM 539 C GLY A 36 21.907 11.416 4.484 1.00 0.00 C ATOM 540 O GLY A 36 21.333 11.787 5.511 1.00 0.00 O ATOM 0 H GLY A 36 19.510 12.020 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.396 10.690 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.653 12.422 2.604 1.00 0.00 H new ATOM 544 N LEU A 37 23.124 10.857 4.467 1.00 0.00 N ATOM 545 CA LEU A 37 23.891 10.502 5.668 1.00 0.00 C ATOM 546 C LEU A 37 24.053 11.709 6.596 1.00 0.00 C ATOM 547 O LEU A 37 24.091 11.560 7.817 1.00 0.00 O ATOM 548 CB LEU A 37 25.271 9.918 5.312 1.00 0.00 C ATOM 549 CG LEU A 37 25.264 8.599 4.512 1.00 0.00 C ATOM 550 CD1 LEU A 37 26.702 8.097 4.346 1.00 0.00 C ATOM 551 CD2 LEU A 37 24.434 7.494 5.177 1.00 0.00 C ATOM 0 H LEU A 37 23.613 10.634 3.600 1.00 0.00 H new ATOM 0 HA LEU A 37 23.324 9.732 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 37 25.822 10.664 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 37 25.824 9.755 6.237 1.00 0.00 H new ATOM 0 HG LEU A 37 24.805 8.820 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 37 26.699 7.165 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 37 27.289 8.844 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.143 7.925 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.470 6.593 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.841 7.278 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.400 7.825 5.275 1.00 0.00 H new ATOM 563 N GLU A 38 24.127 12.901 6.008 1.00 0.00 N ATOM 564 CA GLU A 38 24.052 14.187 6.670 1.00 0.00 C ATOM 565 C GLU A 38 23.361 15.095 5.654 1.00 0.00 C ATOM 566 O GLU A 38 23.532 14.930 4.439 1.00 0.00 O ATOM 567 CB GLU A 38 25.449 14.696 7.047 1.00 0.00 C ATOM 568 CG GLU A 38 25.392 15.927 7.963 1.00 0.00 C ATOM 569 CD GLU A 38 26.797 16.352 8.425 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.485 17.106 7.699 1.00 0.00 O ATOM 571 OE2 GLU A 38 27.227 15.952 9.531 1.00 0.00 O ATOM 0 H GLU A 38 24.248 12.993 4.999 1.00 0.00 H new ATOM 0 HA GLU A 38 23.504 14.146 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.001 13.900 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.000 14.946 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.916 16.753 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.773 15.706 8.833 1.00 0.00 H new ATOM 578 N SER A 39 22.541 16.014 6.146 1.00 0.00 N ATOM 579 CA SER A 39 21.799 16.950 5.314 1.00 0.00 C ATOM 580 C SER A 39 22.721 18.034 4.735 1.00 0.00 C ATOM 581 O SER A 39 23.753 18.386 5.314 1.00 0.00 O ATOM 582 CB SER A 39 20.652 17.556 6.141 1.00 0.00 C ATOM 583 OG SER A 39 21.038 17.798 7.489 1.00 0.00 O ATOM 0 H SER A 39 22.371 16.131 7.145 1.00 0.00 H new ATOM 0 HA SER A 39 21.375 16.419 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.329 18.491 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.797 16.881 6.124 1.00 0.00 H new ATOM 0 HG SER A 39 20.284 18.184 7.981 1.00 0.00 H new ATOM 589 N SER A 40 22.329 18.584 3.588 1.00 0.00 N ATOM 590 CA SER A 40 22.887 19.761 2.931 1.00 0.00 C ATOM 591 C SER A 40 21.804 20.254 1.963 1.00 0.00 C ATOM 592 O SER A 40 20.947 19.463 1.555 1.00 0.00 O ATOM 593 CB SER A 40 24.179 19.386 2.190 1.00 0.00 C ATOM 594 OG SER A 40 25.221 19.117 3.112 1.00 0.00 O ATOM 0 H SER A 40 21.555 18.188 3.055 1.00 0.00 H new ATOM 0 HA SER A 40 23.152 20.543 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.005 18.511 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.474 20.199 1.527 1.00 0.00 H new ATOM 0 HG SER A 40 24.836 18.900 3.987 1.00 0.00 H new ATOM 600 N ARG A 41 21.789 21.549 1.623 1.00 0.00 N ATOM 601 CA ARG A 41 20.736 22.149 0.798 1.00 0.00 C ATOM 602 C ARG A 41 20.612 21.441 -0.549 1.00 0.00 C ATOM 603 O ARG A 41 21.584 20.864 -1.038 1.00 0.00 O ATOM 604 CB ARG A 41 20.972 23.661 0.607 1.00 0.00 C ATOM 605 CG ARG A 41 22.323 24.024 -0.051 1.00 0.00 C ATOM 606 CD ARG A 41 22.264 25.365 -0.794 1.00 0.00 C ATOM 607 NE ARG A 41 21.426 25.257 -2.002 1.00 0.00 N ATOM 608 CZ ARG A 41 20.954 26.256 -2.752 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.282 27.520 -2.499 1.00 0.00 N ATOM 610 NH2 ARG A 41 20.144 25.953 -3.760 1.00 0.00 N ATOM 0 H ARG A 41 22.509 22.211 1.914 1.00 0.00 H new ATOM 0 HA ARG A 41 19.792 22.021 1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 41 20.165 24.067 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.913 24.150 1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.098 24.069 0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.609 23.236 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.862 26.134 -0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 41 23.271 25.677 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 41 21.179 24.313 -2.298 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.904 27.740 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.912 28.270 -3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.899 24.980 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.767 26.693 -4.351 1.00 0.00 H new ATOM 624 N VAL A 42 19.440 21.533 -1.171 1.00 0.00 N ATOM 625 CA VAL A 42 19.240 21.035 -2.529 1.00 0.00 C ATOM 626 C VAL A 42 20.149 21.847 -3.450 1.00 0.00 C ATOM 627 O VAL A 42 20.199 23.079 -3.350 1.00 0.00 O ATOM 628 CB VAL A 42 17.761 21.109 -2.958 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.578 20.462 -4.342 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.856 20.405 -1.934 1.00 0.00 C ATOM 0 H VAL A 42 18.609 21.951 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 42 19.501 19.978 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 42 17.476 22.160 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.530 20.520 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.189 20.990 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.885 19.417 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.818 20.471 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.145 19.357 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.963 20.887 -0.962 1.00 0.00 H new ATOM 640 N HIS A 43 20.890 21.171 -4.324 1.00 0.00 N ATOM 641 CA HIS A 43 21.833 21.825 -5.213 1.00 0.00 C ATOM 642 C HIS A 43 21.058 22.553 -6.325 1.00 0.00 C ATOM 643 O HIS A 43 20.076 22.001 -6.822 1.00 0.00 O ATOM 644 CB HIS A 43 22.814 20.773 -5.747 1.00 0.00 C ATOM 645 CG HIS A 43 24.120 21.381 -6.176 1.00 0.00 C ATOM 646 ND1 HIS A 43 24.491 21.692 -7.460 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.123 21.814 -5.350 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.689 22.298 -7.412 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.123 22.390 -6.144 1.00 0.00 N ATOM 0 H HIS A 43 20.851 20.158 -4.432 1.00 0.00 H new ATOM 0 HA HIS A 43 22.419 22.581 -4.690 1.00 0.00 H new ATOM 0 HB2 HIS A 43 22.999 20.026 -4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.362 20.253 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.140 21.727 -4.274 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.229 22.661 -8.274 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.002 22.797 -5.824 1.00 0.00 H new ATOM 657 N PRO A 44 21.453 23.769 -6.744 1.00 0.00 N ATOM 658 CA PRO A 44 20.620 24.574 -7.628 1.00 0.00 C ATOM 659 C PRO A 44 20.634 24.070 -9.066 1.00 0.00 C ATOM 660 O PRO A 44 19.580 23.985 -9.682 1.00 0.00 O ATOM 661 CB PRO A 44 21.157 26.002 -7.504 1.00 0.00 C ATOM 662 CG PRO A 44 22.632 25.808 -7.146 1.00 0.00 C ATOM 663 CD PRO A 44 22.653 24.497 -6.357 1.00 0.00 C ATOM 0 HA PRO A 44 19.570 24.518 -7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 44 21.041 26.555 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.629 26.562 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.254 25.746 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.011 26.638 -6.550 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.549 23.920 -6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.663 24.689 -5.284 1.00 0.00 H new ATOM 671 N THR A 45 21.775 23.667 -9.619 1.00 0.00 N ATOM 672 CA THR A 45 21.820 23.223 -11.010 1.00 0.00 C ATOM 673 C THR A 45 20.992 21.945 -11.220 1.00 0.00 C ATOM 674 O THR A 45 20.477 21.724 -12.312 1.00 0.00 O ATOM 675 CB THR A 45 23.298 23.047 -11.396 1.00 0.00 C ATOM 676 OG1 THR A 45 24.012 24.226 -11.061 1.00 0.00 O ATOM 677 CG2 THR A 45 23.544 22.691 -12.863 1.00 0.00 C ATOM 0 H THR A 45 22.671 23.638 -9.133 1.00 0.00 H new ATOM 0 HA THR A 45 21.366 23.967 -11.664 1.00 0.00 H new ATOM 0 HB THR A 45 23.656 22.188 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.955 24.117 -11.304 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.615 22.588 -13.038 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.046 21.750 -13.098 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.147 23.481 -13.501 1.00 0.00 H new ATOM 685 N ALA A 46 20.754 21.158 -10.162 1.00 0.00 N ATOM 686 CA ALA A 46 19.845 20.017 -10.192 1.00 0.00 C ATOM 687 C ALA A 46 18.482 20.407 -10.747 1.00 0.00 C ATOM 688 O ALA A 46 17.892 19.658 -11.528 1.00 0.00 O ATOM 689 CB ALA A 46 19.635 19.536 -8.758 1.00 0.00 C ATOM 0 H ALA A 46 21.195 21.302 -9.254 1.00 0.00 H new ATOM 0 HA ALA A 46 20.282 19.246 -10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.958 18.682 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.593 19.240 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.205 20.342 -8.163 1.00 0.00 H new ATOM 695 N ILE A 47 18.000 21.591 -10.352 1.00 0.00 N ATOM 696 CA ILE A 47 16.725 22.113 -10.763 1.00 0.00 C ATOM 697 C ILE A 47 16.703 22.149 -12.290 1.00 0.00 C ATOM 698 O ILE A 47 15.732 21.714 -12.899 1.00 0.00 O ATOM 699 CB ILE A 47 16.558 23.526 -10.167 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.606 23.523 -8.618 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.269 24.162 -10.676 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.885 24.912 -8.034 1.00 0.00 C ATOM 0 H ILE A 47 18.509 22.214 -9.724 1.00 0.00 H new ATOM 0 HA ILE A 47 15.902 21.492 -10.410 1.00 0.00 H new ATOM 0 HB ILE A 47 17.404 24.126 -10.502 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.657 23.154 -8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.378 22.831 -8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.162 25.159 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.304 24.235 -11.763 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.419 23.547 -10.381 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.908 24.851 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.847 25.273 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.099 25.601 -8.343 1.00 0.00 H new ATOM 714 N ALA A 48 17.786 22.636 -12.900 1.00 0.00 N ATOM 715 CA ALA A 48 17.868 22.907 -14.313 1.00 0.00 C ATOM 716 C ALA A 48 17.776 21.609 -15.099 1.00 0.00 C ATOM 717 O ALA A 48 17.094 21.548 -16.116 1.00 0.00 O ATOM 718 CB ALA A 48 19.169 23.653 -14.621 1.00 0.00 C ATOM 0 H ALA A 48 18.647 22.854 -12.399 1.00 0.00 H new ATOM 0 HA ALA A 48 17.032 23.540 -14.612 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.228 23.856 -15.690 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.188 24.594 -14.071 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.019 23.041 -14.321 1.00 0.00 H new ATOM 724 N MET A 49 18.426 20.558 -14.605 1.00 0.00 N ATOM 725 CA MET A 49 18.438 19.256 -15.252 1.00 0.00 C ATOM 726 C MET A 49 17.022 18.663 -15.274 1.00 0.00 C ATOM 727 O MET A 49 16.543 18.137 -16.289 1.00 0.00 O ATOM 728 CB MET A 49 19.415 18.327 -14.516 1.00 0.00 C ATOM 729 CG MET A 49 20.721 18.959 -14.021 1.00 0.00 C ATOM 730 SD MET A 49 21.515 20.304 -14.970 1.00 0.00 S ATOM 731 CE MET A 49 21.800 19.553 -16.581 1.00 0.00 C ATOM 0 H MET A 49 18.962 20.590 -13.738 1.00 0.00 H new ATOM 0 HA MET A 49 18.772 19.364 -16.284 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.897 17.899 -13.658 1.00 0.00 H new ATOM 0 HB3 MET A 49 19.667 17.501 -15.181 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.534 19.340 -13.017 1.00 0.00 H new ATOM 0 HG3 MET A 49 21.452 18.156 -13.927 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.552 20.269 -17.365 1.00 0.00 H new ATOM 0 HE2 MET A 49 22.848 19.267 -16.669 1.00 0.00 H new ATOM 0 HE3 MET A 49 21.172 18.668 -16.686 1.00 0.00 H new ATOM 741 N MET A 50 16.337 18.760 -14.137 1.00 0.00 N ATOM 742 CA MET A 50 14.969 18.300 -14.005 1.00 0.00 C ATOM 743 C MET A 50 14.053 19.163 -14.858 1.00 0.00 C ATOM 744 O MET A 50 13.168 18.619 -15.508 1.00 0.00 O ATOM 745 CB MET A 50 14.565 18.288 -12.528 1.00 0.00 C ATOM 746 CG MET A 50 15.418 17.251 -11.784 1.00 0.00 C ATOM 747 SD MET A 50 14.552 16.295 -10.520 1.00 0.00 S ATOM 748 CE MET A 50 13.449 15.332 -11.556 1.00 0.00 C ATOM 0 H MET A 50 16.722 19.162 -13.282 1.00 0.00 H new ATOM 0 HA MET A 50 14.878 17.277 -14.369 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.708 19.276 -12.091 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.507 18.046 -12.429 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.837 16.559 -12.515 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.257 17.765 -11.315 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.424 15.453 -11.207 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.524 15.678 -12.587 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.728 14.280 -11.505 1.00 0.00 H new ATOM 758 N GLU A 51 14.313 20.466 -14.955 1.00 0.00 N ATOM 759 CA GLU A 51 13.591 21.361 -15.848 1.00 0.00 C ATOM 760 C GLU A 51 13.758 20.941 -17.308 1.00 0.00 C ATOM 761 O GLU A 51 12.826 21.127 -18.090 1.00 0.00 O ATOM 762 CB GLU A 51 14.041 22.813 -15.641 1.00 0.00 C ATOM 763 CG GLU A 51 13.312 23.500 -14.478 1.00 0.00 C ATOM 764 CD GLU A 51 13.637 25.004 -14.412 1.00 0.00 C ATOM 765 OE1 GLU A 51 14.820 25.384 -14.270 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.699 25.830 -14.503 1.00 0.00 O ATOM 0 H GLU A 51 15.038 20.931 -14.409 1.00 0.00 H new ATOM 0 HA GLU A 51 12.531 21.294 -15.604 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.115 22.833 -15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.867 23.377 -16.557 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.236 23.365 -14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.596 23.025 -13.539 1.00 0.00 H new ATOM 773 N GLU A 52 14.886 20.324 -17.678 1.00 0.00 N ATOM 774 CA GLU A 52 15.052 19.774 -19.021 1.00 0.00 C ATOM 775 C GLU A 52 14.056 18.643 -19.254 1.00 0.00 C ATOM 776 O GLU A 52 13.482 18.534 -20.339 1.00 0.00 O ATOM 777 CB GLU A 52 16.461 19.241 -19.308 1.00 0.00 C ATOM 778 CG GLU A 52 17.586 20.235 -18.995 1.00 0.00 C ATOM 779 CD GLU A 52 18.844 19.989 -19.839 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.622 19.055 -19.532 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.083 20.747 -20.804 1.00 0.00 O ATOM 0 H GLU A 52 15.692 20.195 -17.067 1.00 0.00 H new ATOM 0 HA GLU A 52 14.874 20.608 -19.699 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.620 18.334 -18.724 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.523 18.959 -20.359 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.228 21.250 -19.170 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.843 20.166 -17.938 1.00 0.00 H new ATOM 788 N VAL A 53 13.840 17.811 -18.230 1.00 0.00 N ATOM 789 CA VAL A 53 12.862 16.722 -18.324 1.00 0.00 C ATOM 790 C VAL A 53 11.421 17.255 -18.158 1.00 0.00 C ATOM 791 O VAL A 53 10.467 16.588 -18.566 1.00 0.00 O ATOM 792 CB VAL A 53 13.252 15.598 -17.340 1.00 0.00 C ATOM 793 CG1 VAL A 53 12.305 14.390 -17.389 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.664 15.085 -17.681 1.00 0.00 C ATOM 0 H VAL A 53 14.324 17.869 -17.334 1.00 0.00 H new ATOM 0 HA VAL A 53 12.878 16.279 -19.320 1.00 0.00 H new ATOM 0 HB VAL A 53 13.199 16.036 -16.343 1.00 0.00 H new ATOM 0 HG11 VAL A 53 12.637 13.638 -16.673 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.294 14.710 -17.137 1.00 0.00 H new ATOM 0 HG13 VAL A 53 12.311 13.964 -18.392 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.940 14.291 -16.987 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.674 14.696 -18.699 1.00 0.00 H new ATOM 0 HG23 VAL A 53 15.378 15.904 -17.599 1.00 0.00 H new ATOM 804 N GLY A 54 11.244 18.468 -17.626 1.00 0.00 N ATOM 805 CA GLY A 54 9.947 19.098 -17.403 1.00 0.00 C ATOM 806 C GLY A 54 9.471 18.931 -15.957 1.00 0.00 C ATOM 807 O GLY A 54 8.265 18.935 -15.708 1.00 0.00 O ATOM 0 H GLY A 54 12.026 19.053 -17.331 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.013 20.159 -17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.211 18.663 -18.080 1.00 0.00 H new ATOM 811 N ILE A 55 10.403 18.753 -15.016 1.00 0.00 N ATOM 812 CA ILE A 55 10.142 18.580 -13.585 1.00 0.00 C ATOM 813 C ILE A 55 10.886 19.714 -12.842 1.00 0.00 C ATOM 814 O ILE A 55 11.529 20.556 -13.470 1.00 0.00 O ATOM 815 CB ILE A 55 10.548 17.139 -13.169 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.928 16.040 -14.073 1.00 0.00 C ATOM 817 CG2 ILE A 55 10.161 16.810 -11.710 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.818 14.798 -14.116 1.00 0.00 C ATOM 0 H ILE A 55 11.398 18.724 -15.239 1.00 0.00 H new ATOM 0 HA ILE A 55 9.088 18.667 -13.323 1.00 0.00 H new ATOM 0 HB ILE A 55 11.632 17.131 -13.281 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.940 15.771 -13.699 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.791 16.429 -15.082 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.468 15.791 -11.473 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.660 17.506 -11.035 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.081 16.901 -11.591 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.360 14.044 -14.756 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.797 15.066 -14.514 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.933 14.397 -13.109 1.00 0.00 H new ATOM 830 N ASP A 56 10.797 19.778 -11.514 1.00 0.00 N ATOM 831 CA ASP A 56 11.417 20.804 -10.675 1.00 0.00 C ATOM 832 C ASP A 56 11.864 20.176 -9.353 1.00 0.00 C ATOM 833 O ASP A 56 11.288 19.171 -8.928 1.00 0.00 O ATOM 834 CB ASP A 56 10.396 21.917 -10.386 1.00 0.00 C ATOM 835 CG ASP A 56 10.921 22.891 -9.325 1.00 0.00 C ATOM 836 OD1 ASP A 56 12.011 23.466 -9.542 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.298 23.014 -8.247 1.00 0.00 O ATOM 0 H ASP A 56 10.272 19.091 -10.972 1.00 0.00 H new ATOM 0 HA ASP A 56 12.279 21.224 -11.193 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.177 22.460 -11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.459 21.475 -10.046 1.00 0.00 H new ATOM 842 N ILE A 57 12.851 20.789 -8.689 1.00 0.00 N ATOM 843 CA ILE A 57 13.249 20.447 -7.324 1.00 0.00 C ATOM 844 C ILE A 57 13.287 21.674 -6.399 1.00 0.00 C ATOM 845 O ILE A 57 13.245 21.500 -5.186 1.00 0.00 O ATOM 846 CB ILE A 57 14.577 19.662 -7.259 1.00 0.00 C ATOM 847 CG1 ILE A 57 15.059 19.012 -8.568 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.444 18.583 -6.179 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.397 18.294 -8.374 1.00 0.00 C ATOM 0 H ILE A 57 13.402 21.547 -9.093 1.00 0.00 H new ATOM 0 HA ILE A 57 12.469 19.780 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 57 15.340 20.406 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.311 18.302 -8.921 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.162 19.776 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.372 18.015 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.240 19.054 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.625 17.911 -6.435 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.709 17.846 -9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.150 19.010 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.285 17.514 -7.621 1.00 0.00 H new ATOM 861 N SER A 58 13.310 22.900 -6.932 1.00 0.00 N ATOM 862 CA SER A 58 13.197 24.147 -6.165 1.00 0.00 C ATOM 863 C SER A 58 12.092 24.095 -5.092 1.00 0.00 C ATOM 864 O SER A 58 12.263 24.633 -3.996 1.00 0.00 O ATOM 865 CB SER A 58 12.872 25.323 -7.100 1.00 0.00 C ATOM 866 OG SER A 58 13.478 25.197 -8.362 1.00 0.00 O ATOM 0 H SER A 58 13.410 23.058 -7.935 1.00 0.00 H new ATOM 0 HA SER A 58 14.161 24.280 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.792 25.394 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.200 26.253 -6.635 1.00 0.00 H new ATOM 0 HG SER A 58 12.819 24.873 -9.011 1.00 0.00 H new ATOM 872 N GLY A 59 10.956 23.463 -5.415 1.00 0.00 N ATOM 873 CA GLY A 59 9.762 23.434 -4.582 1.00 0.00 C ATOM 874 C GLY A 59 9.843 22.464 -3.399 1.00 0.00 C ATOM 875 O GLY A 59 8.930 22.467 -2.570 1.00 0.00 O ATOM 0 H GLY A 59 10.846 22.946 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.574 24.438 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.907 23.163 -5.202 1.00 0.00 H new ATOM 879 N GLN A 60 10.899 21.650 -3.295 1.00 0.00 N ATOM 880 CA GLN A 60 11.109 20.688 -2.225 1.00 0.00 C ATOM 881 C GLN A 60 12.484 20.891 -1.574 1.00 0.00 C ATOM 882 O GLN A 60 13.347 21.582 -2.120 1.00 0.00 O ATOM 883 CB GLN A 60 10.869 19.269 -2.768 1.00 0.00 C ATOM 884 CG GLN A 60 11.896 18.782 -3.801 1.00 0.00 C ATOM 885 CD GLN A 60 11.633 17.360 -4.298 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.504 16.981 -4.607 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.675 16.557 -4.422 1.00 0.00 N ATOM 0 H GLN A 60 11.654 21.648 -3.981 1.00 0.00 H new ATOM 0 HA GLN A 60 10.389 20.844 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.863 18.573 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.878 19.233 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.894 19.462 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.892 18.826 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.605 16.885 -4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.549 15.609 -4.778 1.00 0.00 H new ATOM 896 N THR A 61 12.686 20.302 -0.395 1.00 0.00 N ATOM 897 CA THR A 61 13.840 20.560 0.459 1.00 0.00 C ATOM 898 C THR A 61 14.515 19.261 0.908 1.00 0.00 C ATOM 899 O THR A 61 13.980 18.159 0.731 1.00 0.00 O ATOM 900 CB THR A 61 13.379 21.409 1.660 1.00 0.00 C ATOM 901 OG1 THR A 61 12.224 20.845 2.263 1.00 0.00 O ATOM 902 CG2 THR A 61 13.027 22.826 1.204 1.00 0.00 C ATOM 0 H THR A 61 12.038 19.619 -0.002 1.00 0.00 H new ATOM 0 HA THR A 61 14.593 21.110 -0.106 1.00 0.00 H new ATOM 0 HB THR A 61 14.199 21.433 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.949 21.398 3.024 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.703 23.415 2.062 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.904 23.292 0.755 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.223 22.783 0.470 1.00 0.00 H new ATOM 910 N SER A 62 15.718 19.399 1.465 1.00 0.00 N ATOM 911 CA SER A 62 16.514 18.301 1.995 1.00 0.00 C ATOM 912 C SER A 62 16.007 17.842 3.366 1.00 0.00 C ATOM 913 O SER A 62 15.266 18.566 4.037 1.00 0.00 O ATOM 914 CB SER A 62 17.970 18.759 2.094 1.00 0.00 C ATOM 915 OG SER A 62 18.397 19.368 0.894 1.00 0.00 O ATOM 0 H SER A 62 16.176 20.306 1.561 1.00 0.00 H new ATOM 0 HA SER A 62 16.430 17.448 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.077 19.462 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.608 17.904 2.318 1.00 0.00 H new ATOM 0 HG SER A 62 19.309 19.708 1.006 1.00 0.00 H new ATOM 921 N ASP A 63 16.446 16.656 3.803 1.00 0.00 N ATOM 922 CA ASP A 63 16.159 16.125 5.138 1.00 0.00 C ATOM 923 C ASP A 63 17.219 15.076 5.511 1.00 0.00 C ATOM 924 O ASP A 63 17.652 14.335 4.621 1.00 0.00 O ATOM 925 CB ASP A 63 14.754 15.499 5.154 1.00 0.00 C ATOM 926 CG ASP A 63 14.079 15.681 6.520 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.750 16.831 6.889 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.841 14.676 7.216 1.00 0.00 O ATOM 0 H ASP A 63 17.017 16.032 3.232 1.00 0.00 H new ATOM 0 HA ASP A 63 16.190 16.933 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.140 15.957 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.824 14.437 4.919 1.00 0.00 H new ATOM 933 N PRO A 64 17.686 14.999 6.772 1.00 0.00 N ATOM 934 CA PRO A 64 18.721 14.049 7.170 1.00 0.00 C ATOM 935 C PRO A 64 18.142 12.641 7.352 1.00 0.00 C ATOM 936 O PRO A 64 16.978 12.473 7.719 1.00 0.00 O ATOM 937 CB PRO A 64 19.275 14.591 8.491 1.00 0.00 C ATOM 938 CG PRO A 64 18.072 15.301 9.111 1.00 0.00 C ATOM 939 CD PRO A 64 17.315 15.846 7.899 1.00 0.00 C ATOM 0 HA PRO A 64 19.498 13.957 6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.644 13.790 9.132 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.107 15.276 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.457 14.615 9.693 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.381 16.101 9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.239 15.819 8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.582 16.886 7.709 1.00 0.00 H new ATOM 947 N ILE A 65 18.984 11.620 7.171 1.00 0.00 N ATOM 948 CA ILE A 65 18.638 10.208 7.355 1.00 0.00 C ATOM 949 C ILE A 65 18.035 9.927 8.739 1.00 0.00 C ATOM 950 O ILE A 65 17.156 9.077 8.886 1.00 0.00 O ATOM 951 CB ILE A 65 19.895 9.359 7.083 1.00 0.00 C ATOM 952 CG1 ILE A 65 19.521 7.875 6.967 1.00 0.00 C ATOM 953 CG2 ILE A 65 21.036 9.597 8.097 1.00 0.00 C ATOM 954 CD1 ILE A 65 20.674 7.069 6.376 1.00 0.00 C ATOM 0 H ILE A 65 19.953 11.757 6.884 1.00 0.00 H new ATOM 0 HA ILE A 65 17.857 9.936 6.645 1.00 0.00 H new ATOM 0 HB ILE A 65 20.300 9.690 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 65 19.264 7.482 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 65 18.636 7.766 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.887 8.965 7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.338 10.644 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.689 9.350 9.100 1.00 0.00 H new ATOM 0 HD11 ILE A 65 20.385 6.020 6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.912 7.449 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 65 21.549 7.161 7.019 1.00 0.00 H new ATOM 966 N GLU A 66 18.504 10.661 9.751 1.00 0.00 N ATOM 967 CA GLU A 66 18.231 10.420 11.162 1.00 0.00 C ATOM 968 C GLU A 66 16.753 10.636 11.508 1.00 0.00 C ATOM 969 O GLU A 66 16.273 10.138 12.528 1.00 0.00 O ATOM 970 CB GLU A 66 19.105 11.364 12.013 1.00 0.00 C ATOM 971 CG GLU A 66 20.591 11.398 11.610 1.00 0.00 C ATOM 972 CD GLU A 66 21.441 12.134 12.662 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.546 13.381 12.607 1.00 0.00 O ATOM 974 OE2 GLU A 66 22.027 11.473 13.550 1.00 0.00 O ATOM 0 H GLU A 66 19.107 11.470 9.600 1.00 0.00 H new ATOM 0 HA GLU A 66 18.469 9.379 11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.700 12.374 11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 66 19.032 11.062 13.058 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.960 10.380 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.697 11.892 10.644 1.00 0.00 H new ATOM 981 N ASN A 67 16.032 11.393 10.674 1.00 0.00 N ATOM 982 CA ASN A 67 14.653 11.801 10.924 1.00 0.00 C ATOM 983 C ASN A 67 13.635 10.723 10.514 1.00 0.00 C ATOM 984 O ASN A 67 12.431 10.924 10.678 1.00 0.00 O ATOM 985 CB ASN A 67 14.403 13.117 10.174 1.00 0.00 C ATOM 986 CG ASN A 67 13.082 13.786 10.547 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.644 13.771 11.696 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.443 14.431 9.589 1.00 0.00 N ATOM 0 H ASN A 67 16.401 11.744 9.790 1.00 0.00 H new ATOM 0 HA ASN A 67 14.514 11.943 11.996 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.222 13.806 10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.413 12.923 9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.575 14.925 9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.817 14.436 8.640 1.00 0.00 H new ATOM 995 N PHE A 68 14.085 9.582 9.976 1.00 0.00 N ATOM 996 CA PHE A 68 13.223 8.574 9.372 1.00 0.00 C ATOM 997 C PHE A 68 13.256 7.244 10.132 1.00 0.00 C ATOM 998 O PHE A 68 13.860 7.125 11.199 1.00 0.00 O ATOM 999 CB PHE A 68 13.643 8.403 7.907 1.00 0.00 C ATOM 1000 CG PHE A 68 13.413 9.645 7.077 1.00 0.00 C ATOM 1001 CD1 PHE A 68 12.104 9.975 6.687 1.00 0.00 C ATOM 1002 CD2 PHE A 68 14.481 10.497 6.743 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.859 11.153 5.962 1.00 0.00 C ATOM 1004 CE2 PHE A 68 14.235 11.673 6.018 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.927 12.000 5.620 1.00 0.00 C ATOM 0 H PHE A 68 15.074 9.335 9.951 1.00 0.00 H new ATOM 0 HA PHE A 68 12.187 8.910 9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 68 14.699 8.136 7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.088 7.573 7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.284 9.321 6.945 1.00 0.00 H new ATOM 0 HD2 PHE A 68 15.488 10.247 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.851 11.407 5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 68 15.054 12.330 5.765 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.743 12.900 5.053 1.00 0.00 H new ATOM 1015 N ASN A 69 12.599 6.238 9.546 1.00 0.00 N ATOM 1016 CA ASN A 69 12.569 4.844 9.962 1.00 0.00 C ATOM 1017 C ASN A 69 12.561 3.980 8.703 1.00 0.00 C ATOM 1018 O ASN A 69 11.751 4.214 7.808 1.00 0.00 O ATOM 1019 CB ASN A 69 11.350 4.536 10.860 1.00 0.00 C ATOM 1020 CG ASN A 69 10.024 5.209 10.481 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.268 5.621 11.356 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.705 5.363 9.206 1.00 0.00 N ATOM 0 H ASN A 69 12.036 6.394 8.710 1.00 0.00 H new ATOM 0 HA ASN A 69 13.450 4.624 10.565 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.195 3.457 10.864 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.598 4.826 11.881 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.831 5.824 8.951 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.333 5.021 8.478 1.00 0.00 H new ATOM 1029 N ALA A 70 13.424 2.966 8.630 1.00 0.00 N ATOM 1030 CA ALA A 70 13.478 2.053 7.490 1.00 0.00 C ATOM 1031 C ALA A 70 12.183 1.278 7.313 1.00 0.00 C ATOM 1032 O ALA A 70 11.861 0.902 6.192 1.00 0.00 O ATOM 1033 CB ALA A 70 14.601 1.035 7.656 1.00 0.00 C ATOM 0 H ALA A 70 14.105 2.755 9.360 1.00 0.00 H new ATOM 0 HA ALA A 70 13.651 2.679 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 70 14.618 0.368 6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.556 1.556 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.433 0.452 8.562 1.00 0.00 H new ATOM 1039 N ASP A 71 11.455 1.026 8.402 1.00 0.00 N ATOM 1040 CA ASP A 71 10.300 0.134 8.407 1.00 0.00 C ATOM 1041 C ASP A 71 9.182 0.622 7.479 1.00 0.00 C ATOM 1042 O ASP A 71 8.334 -0.165 7.057 1.00 0.00 O ATOM 1043 CB ASP A 71 9.777 -0.015 9.841 1.00 0.00 C ATOM 1044 CG ASP A 71 8.574 -0.971 9.920 1.00 0.00 C ATOM 1045 OD1 ASP A 71 8.755 -2.195 9.729 1.00 0.00 O ATOM 1046 OD2 ASP A 71 7.451 -0.513 10.230 1.00 0.00 O ATOM 0 H ASP A 71 11.654 1.440 9.312 1.00 0.00 H new ATOM 0 HA ASP A 71 10.625 -0.835 8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.577 -0.386 10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.488 0.963 10.225 1.00 0.00 H new ATOM 1051 N ASP A 72 9.189 1.915 7.138 1.00 0.00 N ATOM 1052 CA ASP A 72 8.193 2.523 6.281 1.00 0.00 C ATOM 1053 C ASP A 72 8.599 2.419 4.813 1.00 0.00 C ATOM 1054 O ASP A 72 7.729 2.442 3.951 1.00 0.00 O ATOM 1055 CB ASP A 72 7.975 3.983 6.691 1.00 0.00 C ATOM 1056 CG ASP A 72 6.760 4.609 5.991 1.00 0.00 C ATOM 1057 OD1 ASP A 72 5.653 4.029 6.043 1.00 0.00 O ATOM 1058 OD2 ASP A 72 6.876 5.733 5.453 1.00 0.00 O ATOM 0 H ASP A 72 9.902 2.570 7.460 1.00 0.00 H new ATOM 0 HA ASP A 72 7.253 1.984 6.399 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.838 4.038 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.867 4.562 6.453 1.00 0.00 H new ATOM 1063 N TYR A 73 9.893 2.260 4.508 1.00 0.00 N ATOM 1064 CA TYR A 73 10.430 2.223 3.165 1.00 0.00 C ATOM 1065 C TYR A 73 10.640 0.772 2.760 1.00 0.00 C ATOM 1066 O TYR A 73 11.470 0.069 3.333 1.00 0.00 O ATOM 1067 CB TYR A 73 11.705 3.068 3.077 1.00 0.00 C ATOM 1068 CG TYR A 73 11.450 4.503 3.500 1.00 0.00 C ATOM 1069 CD1 TYR A 73 10.698 5.351 2.666 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.871 4.955 4.764 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.314 6.622 3.118 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.526 6.242 5.217 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.709 7.066 4.401 1.00 0.00 C ATOM 1074 OH TYR A 73 10.301 8.285 4.843 1.00 0.00 O ATOM 0 H TYR A 73 10.611 2.151 5.224 1.00 0.00 H new ATOM 0 HA TYR A 73 9.728 2.664 2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.477 2.632 3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.085 3.050 2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.416 5.023 1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.465 4.308 5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.716 7.262 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.879 6.598 6.174 1.00 0.00 H new ATOM 0 HH TYR A 73 11.031 8.716 5.334 1.00 0.00 H new ATOM 1084 N ASP A 74 9.867 0.306 1.779 1.00 0.00 N ATOM 1085 CA ASP A 74 9.995 -1.065 1.299 1.00 0.00 C ATOM 1086 C ASP A 74 11.280 -1.241 0.489 1.00 0.00 C ATOM 1087 O ASP A 74 11.864 -2.323 0.475 1.00 0.00 O ATOM 1088 CB ASP A 74 8.793 -1.436 0.439 1.00 0.00 C ATOM 1089 CG ASP A 74 8.791 -2.945 0.179 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.377 -3.705 1.083 1.00 0.00 O ATOM 1091 OD2 ASP A 74 9.130 -3.357 -0.950 1.00 0.00 O ATOM 0 H ASP A 74 9.150 0.856 1.305 1.00 0.00 H new ATOM 0 HA ASP A 74 10.036 -1.724 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.871 -1.142 0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.829 -0.894 -0.506 1.00 0.00 H new ATOM 1096 N VAL A 75 11.742 -0.166 -0.156 1.00 0.00 N ATOM 1097 CA VAL A 75 12.862 -0.220 -1.092 1.00 0.00 C ATOM 1098 C VAL A 75 13.777 0.973 -0.846 1.00 0.00 C ATOM 1099 O VAL A 75 13.296 2.094 -0.690 1.00 0.00 O ATOM 1100 CB VAL A 75 12.339 -0.358 -2.546 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.925 0.171 -2.829 1.00 0.00 C ATOM 1102 CG2 VAL A 75 13.313 0.165 -3.611 1.00 0.00 C ATOM 0 H VAL A 75 11.347 0.767 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 75 13.473 -1.108 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 75 12.267 -1.442 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.681 0.014 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.206 -0.362 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.883 1.236 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.875 0.033 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.507 1.224 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.249 -0.390 -3.552 1.00 0.00 H new ATOM 1112 N VAL A 76 15.092 0.740 -0.813 1.00 0.00 N ATOM 1113 CA VAL A 76 16.071 1.754 -0.446 1.00 0.00 C ATOM 1114 C VAL A 76 17.199 1.766 -1.483 1.00 0.00 C ATOM 1115 O VAL A 76 17.802 0.747 -1.825 1.00 0.00 O ATOM 1116 CB VAL A 76 16.568 1.501 0.995 1.00 0.00 C ATOM 1117 CG1 VAL A 76 17.602 2.538 1.444 1.00 0.00 C ATOM 1118 CG2 VAL A 76 15.425 1.462 2.028 1.00 0.00 C ATOM 0 H VAL A 76 15.505 -0.164 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 76 15.622 2.747 -0.450 1.00 0.00 H new ATOM 0 HB VAL A 76 17.036 0.517 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 76 17.920 2.317 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.465 2.503 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.158 3.533 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.838 1.281 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.897 2.416 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.731 0.662 1.772 1.00 0.00 H new ATOM 1128 N ILE A 77 17.498 2.960 -1.975 1.00 0.00 N ATOM 1129 CA ILE A 77 18.485 3.213 -2.994 1.00 0.00 C ATOM 1130 C ILE A 77 19.504 4.148 -2.386 1.00 0.00 C ATOM 1131 O ILE A 77 19.276 5.342 -2.208 1.00 0.00 O ATOM 1132 CB ILE A 77 17.819 3.799 -4.251 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.797 2.841 -4.893 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.871 4.219 -5.283 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.350 1.467 -5.288 1.00 0.00 C ATOM 0 H ILE A 77 17.034 3.810 -1.655 1.00 0.00 H new ATOM 0 HA ILE A 77 18.978 2.297 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 77 17.268 4.679 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.971 2.696 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.384 3.318 -5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.375 4.630 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.525 4.975 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.463 3.351 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.554 0.868 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.155 1.593 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.735 0.962 -4.402 1.00 0.00 H new ATOM 1147 N SER A 78 20.623 3.574 -1.999 1.00 0.00 N ATOM 1148 CA SER A 78 21.768 4.369 -1.643 1.00 0.00 C ATOM 1149 C SER A 78 22.304 4.927 -2.962 1.00 0.00 C ATOM 1150 O SER A 78 22.096 4.363 -4.042 1.00 0.00 O ATOM 1151 CB SER A 78 22.786 3.468 -0.980 1.00 0.00 C ATOM 1152 OG SER A 78 23.950 4.138 -0.553 1.00 0.00 O ATOM 0 H SER A 78 20.760 2.566 -1.925 1.00 0.00 H new ATOM 0 HA SER A 78 21.533 5.177 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.322 2.983 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.068 2.680 -1.678 1.00 0.00 H new ATOM 0 HG SER A 78 24.686 3.942 -1.170 1.00 0.00 H new ATOM 1158 N LEU A 79 23.004 6.045 -2.886 1.00 0.00 N ATOM 1159 CA LEU A 79 23.725 6.636 -3.997 1.00 0.00 C ATOM 1160 C LEU A 79 24.956 7.321 -3.406 1.00 0.00 C ATOM 1161 O LEU A 79 25.327 8.413 -3.821 1.00 0.00 O ATOM 1162 CB LEU A 79 22.830 7.539 -4.897 1.00 0.00 C ATOM 1163 CG LEU A 79 21.299 7.585 -4.652 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.990 8.702 -3.672 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.537 7.869 -5.948 1.00 0.00 C ATOM 0 H LEU A 79 23.088 6.582 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 79 24.052 5.873 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.205 8.559 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 79 22.986 7.227 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 79 20.989 6.616 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.916 8.742 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.508 8.514 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.325 9.653 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.467 7.895 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.852 8.831 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.748 7.084 -6.674 1.00 0.00 H new ATOM 1177 N CYS A 80 25.564 6.733 -2.367 1.00 0.00 N ATOM 1178 CA CYS A 80 26.669 7.335 -1.622 1.00 0.00 C ATOM 1179 C CYS A 80 27.885 7.611 -2.514 1.00 0.00 C ATOM 1180 O CYS A 80 28.674 8.501 -2.206 1.00 0.00 O ATOM 1181 CB CYS A 80 27.032 6.473 -0.408 1.00 0.00 C ATOM 1182 SG CYS A 80 25.683 6.526 0.809 1.00 0.00 S ATOM 0 H CYS A 80 25.295 5.813 -2.018 1.00 0.00 H new ATOM 0 HA CYS A 80 26.334 8.306 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.212 5.445 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 80 27.956 6.835 0.043 1.00 0.00 H new ATOM 0 HG CYS A 80 24.789 5.632 0.505 1.00 0.00 H new ATOM 1188 N GLY A 81 28.000 6.929 -3.649 1.00 0.00 N ATOM 1189 CA GLY A 81 28.960 7.226 -4.702 1.00 0.00 C ATOM 1190 C GLY A 81 30.163 6.309 -4.577 1.00 0.00 C ATOM 1191 O GLY A 81 30.367 5.446 -5.429 1.00 0.00 O ATOM 0 H GLY A 81 27.407 6.128 -3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.493 7.097 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 81 29.276 8.267 -4.635 1.00 0.00 H new ATOM 1195 N CYS A 82 30.908 6.418 -3.475 1.00 0.00 N ATOM 1196 CA CYS A 82 32.176 5.711 -3.263 1.00 0.00 C ATOM 1197 C CYS A 82 32.007 4.220 -2.910 1.00 0.00 C ATOM 1198 O CYS A 82 32.861 3.629 -2.248 1.00 0.00 O ATOM 1199 CB CYS A 82 32.994 6.457 -2.194 1.00 0.00 C ATOM 1200 SG CYS A 82 33.154 8.224 -2.601 1.00 0.00 S ATOM 0 H CYS A 82 30.643 7.011 -2.689 1.00 0.00 H new ATOM 0 HA CYS A 82 32.714 5.712 -4.211 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.513 6.347 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 82 33.984 6.009 -2.112 1.00 0.00 H new ATOM 0 HG CYS A 82 33.847 8.821 -1.677 1.00 0.00 H new ATOM 1206 N GLY A 83 30.882 3.624 -3.304 1.00 0.00 N ATOM 1207 CA GLY A 83 30.502 2.244 -3.017 1.00 0.00 C ATOM 1208 C GLY A 83 30.241 1.977 -1.532 1.00 0.00 C ATOM 1209 O GLY A 83 30.199 0.822 -1.103 1.00 0.00 O ATOM 0 H GLY A 83 30.179 4.114 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 83 29.605 1.997 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 83 31.292 1.578 -3.364 1.00 0.00 H new ATOM 1213 N VAL A 84 30.078 3.041 -0.747 1.00 0.00 N ATOM 1214 CA VAL A 84 29.619 3.009 0.628 1.00 0.00 C ATOM 1215 C VAL A 84 28.165 2.528 0.620 1.00 0.00 C ATOM 1216 O VAL A 84 27.442 2.663 -0.371 1.00 0.00 O ATOM 1217 CB VAL A 84 29.846 4.400 1.255 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.218 4.604 2.641 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.352 4.700 1.365 1.00 0.00 C ATOM 0 H VAL A 84 30.273 3.988 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 84 30.175 2.311 1.254 1.00 0.00 H new ATOM 0 HB VAL A 84 29.341 5.087 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.435 5.612 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.139 4.467 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 84 29.634 3.878 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.495 5.685 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 84 31.828 3.946 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 84 31.800 4.681 0.372 1.00 0.00 H new ATOM 1229 N ASN A 85 27.743 1.973 1.749 1.00 0.00 N ATOM 1230 CA ASN A 85 26.376 1.554 2.010 1.00 0.00 C ATOM 1231 C ASN A 85 25.930 2.185 3.316 1.00 0.00 C ATOM 1232 O ASN A 85 26.741 2.569 4.159 1.00 0.00 O ATOM 1233 CB ASN A 85 26.243 0.021 2.006 1.00 0.00 C ATOM 1234 CG ASN A 85 26.912 -0.636 3.207 1.00 0.00 C ATOM 1235 OD1 ASN A 85 26.304 -0.545 4.375 1.00 0.00 O flip ATOM 1236 ND2 ASN A 85 27.985 -1.221 3.096 1.00 0.00 N flip ATOM 0 H ASN A 85 28.368 1.797 2.536 1.00 0.00 H new ATOM 0 HA ASN A 85 25.717 1.897 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 85 25.186 -0.247 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 85 26.683 -0.374 1.090 1.00 0.00 H new ATOM 0 HD21 ASN A 85 28.441 -1.282 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 85 28.421 -1.647 3.914 1.00 0.00 H new ATOM 1243 N LEU A 86 24.614 2.274 3.460 1.00 0.00 N ATOM 1244 CA LEU A 86 23.937 2.888 4.591 1.00 0.00 C ATOM 1245 C LEU A 86 24.232 2.059 5.840 1.00 0.00 C ATOM 1246 O LEU A 86 23.992 0.851 5.807 1.00 0.00 O ATOM 1247 CB LEU A 86 22.432 2.961 4.274 1.00 0.00 C ATOM 1248 CG LEU A 86 22.109 3.634 2.926 1.00 0.00 C ATOM 1249 CD1 LEU A 86 20.594 3.748 2.779 1.00 0.00 C ATOM 1250 CD2 LEU A 86 22.784 4.997 2.749 1.00 0.00 C ATOM 0 H LEU A 86 23.965 1.906 2.764 1.00 0.00 H new ATOM 0 HA LEU A 86 24.290 3.903 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.022 1.951 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 86 21.929 3.508 5.072 1.00 0.00 H new ATOM 0 HG LEU A 86 22.517 3.004 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.356 4.223 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.150 2.753 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.193 4.349 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 86 22.513 5.414 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 86 22.454 5.672 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 86 23.866 4.877 2.803 1.00 0.00 H new ATOM 1262 N PRO A 87 24.782 2.654 6.913 1.00 0.00 N ATOM 1263 CA PRO A 87 24.873 1.988 8.202 1.00 0.00 C ATOM 1264 C PRO A 87 23.510 1.514 8.756 1.00 0.00 C ATOM 1265 O PRO A 87 23.487 0.421 9.329 1.00 0.00 O ATOM 1266 CB PRO A 87 25.541 2.991 9.153 1.00 0.00 C ATOM 1267 CG PRO A 87 26.298 3.934 8.220 1.00 0.00 C ATOM 1268 CD PRO A 87 25.423 3.962 6.969 1.00 0.00 C ATOM 0 HA PRO A 87 25.453 1.071 8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.804 3.527 9.750 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.215 2.493 9.850 1.00 0.00 H new ATOM 0 HG2 PRO A 87 26.410 4.927 8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 87 27.301 3.566 8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 87 24.683 4.760 7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.021 4.145 6.076 1.00 0.00 H new ATOM 1276 N PRO A 88 22.394 2.282 8.660 1.00 0.00 N ATOM 1277 CA PRO A 88 21.170 1.918 9.375 1.00 0.00 C ATOM 1278 C PRO A 88 20.408 0.755 8.719 1.00 0.00 C ATOM 1279 O PRO A 88 20.715 0.356 7.596 1.00 0.00 O ATOM 1280 CB PRO A 88 20.361 3.221 9.452 1.00 0.00 C ATOM 1281 CG PRO A 88 20.786 4.025 8.229 1.00 0.00 C ATOM 1282 CD PRO A 88 22.254 3.632 8.096 1.00 0.00 C ATOM 0 HA PRO A 88 21.384 1.526 10.369 1.00 0.00 H new ATOM 0 HB2 PRO A 88 19.290 3.021 9.440 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.573 3.763 10.373 1.00 0.00 H new ATOM 0 HG2 PRO A 88 20.209 3.759 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 88 20.661 5.097 8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 88 22.563 3.647 7.051 1.00 0.00 H new ATOM 0 HD3 PRO A 88 22.891 4.339 8.627 1.00 0.00 H new ATOM 1290 N GLU A 89 19.359 0.254 9.397 1.00 0.00 N ATOM 1291 CA GLU A 89 18.491 -0.878 8.996 1.00 0.00 C ATOM 1292 C GLU A 89 17.878 -0.707 7.599 1.00 0.00 C ATOM 1293 O GLU A 89 17.329 -1.639 7.006 1.00 0.00 O ATOM 1294 CB GLU A 89 17.319 -1.070 9.982 1.00 0.00 C ATOM 1295 CG GLU A 89 17.607 -0.835 11.468 1.00 0.00 C ATOM 1296 CD GLU A 89 18.705 -1.757 12.027 1.00 0.00 C ATOM 1297 OE1 GLU A 89 18.451 -2.967 12.226 1.00 0.00 O ATOM 1298 OE2 GLU A 89 19.824 -1.271 12.306 1.00 0.00 O ATOM 0 H GLU A 89 19.074 0.649 10.293 1.00 0.00 H new ATOM 0 HA GLU A 89 19.152 -1.745 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.514 -0.399 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.945 -2.087 9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.905 0.203 11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.690 -0.987 12.037 1.00 0.00 H new ATOM 1305 N TRP A 90 17.974 0.505 7.068 1.00 0.00 N ATOM 1306 CA TRP A 90 17.684 0.910 5.722 1.00 0.00 C ATOM 1307 C TRP A 90 18.357 -0.013 4.695 1.00 0.00 C ATOM 1308 O TRP A 90 17.842 -0.184 3.594 1.00 0.00 O ATOM 1309 CB TRP A 90 18.256 2.324 5.630 1.00 0.00 C ATOM 1310 CG TRP A 90 17.699 3.448 6.478 1.00 0.00 C ATOM 1311 CD1 TRP A 90 17.839 4.717 6.056 1.00 0.00 C ATOM 1312 CD2 TRP A 90 17.102 3.584 7.836 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.178 5.575 6.892 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.683 4.939 7.984 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.888 2.790 8.995 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 16.015 5.446 9.098 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 16.337 3.310 10.182 1.00 0.00 C ATOM 1318 CH2 TRP A 90 15.908 4.644 10.241 1.00 0.00 C ATOM 0 H TRP A 90 18.287 1.295 7.632 1.00 0.00 H new ATOM 0 HA TRP A 90 16.617 0.866 5.502 1.00 0.00 H new ATOM 0 HB2 TRP A 90 19.320 2.253 5.854 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.169 2.636 4.589 1.00 0.00 H new ATOM 0 HD1 TRP A 90 18.395 5.017 5.180 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.070 6.574 6.716 1.00 0.00 H new ATOM 0 HE3 TRP A 90 17.159 1.745 8.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.588 6.438 9.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 16.244 2.678 11.053 1.00 0.00 H new ATOM 0 HH2 TRP A 90 15.500 5.048 11.156 1.00 0.00 H new ATOM 1329 N VAL A 91 19.483 -0.643 5.042 1.00 0.00 N ATOM 1330 CA VAL A 91 20.243 -1.490 4.144 1.00 0.00 C ATOM 1331 C VAL A 91 19.649 -2.911 4.107 1.00 0.00 C ATOM 1332 O VAL A 91 20.133 -3.754 3.352 1.00 0.00 O ATOM 1333 CB VAL A 91 21.735 -1.401 4.551 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.075 -2.117 5.868 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.702 -1.869 3.456 1.00 0.00 C ATOM 0 H VAL A 91 19.892 -0.572 5.974 1.00 0.00 H new ATOM 0 HA VAL A 91 20.179 -1.152 3.110 1.00 0.00 H new ATOM 0 HB VAL A 91 21.879 -0.332 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.139 -2.006 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.496 -1.678 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.831 -3.176 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.728 -1.778 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.495 -2.910 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.571 -1.252 2.567 1.00 0.00 H new ATOM 1345 N THR A 92 18.596 -3.188 4.895 1.00 0.00 N ATOM 1346 CA THR A 92 18.074 -4.533 5.116 1.00 0.00 C ATOM 1347 C THR A 92 16.602 -4.688 4.693 1.00 0.00 C ATOM 1348 O THR A 92 15.906 -5.612 5.121 1.00 0.00 O ATOM 1349 CB THR A 92 18.374 -5.001 6.559 1.00 0.00 C ATOM 1350 OG1 THR A 92 17.707 -4.244 7.554 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.869 -4.983 6.895 1.00 0.00 C ATOM 0 H THR A 92 18.081 -2.467 5.401 1.00 0.00 H new ATOM 0 HA THR A 92 18.605 -5.213 4.450 1.00 0.00 H new ATOM 0 HB THR A 92 17.999 -6.024 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.763 -3.291 7.332 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.016 -5.322 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.403 -5.646 6.214 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.253 -3.969 6.789 1.00 0.00 H new ATOM 1359 N GLN A 93 16.122 -3.768 3.854 1.00 0.00 N ATOM 1360 CA GLN A 93 14.755 -3.756 3.340 1.00 0.00 C ATOM 1361 C GLN A 93 14.653 -4.621 2.071 1.00 0.00 C ATOM 1362 O GLN A 93 15.640 -5.234 1.653 1.00 0.00 O ATOM 1363 CB GLN A 93 14.299 -2.298 3.139 1.00 0.00 C ATOM 1364 CG GLN A 93 14.381 -1.472 4.438 1.00 0.00 C ATOM 1365 CD GLN A 93 13.618 -2.113 5.607 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.451 -2.478 5.498 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.266 -2.305 6.749 1.00 0.00 N ATOM 0 H GLN A 93 16.688 -2.994 3.506 1.00 0.00 H new ATOM 0 HA GLN A 93 14.070 -4.205 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.918 -1.829 2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.273 -2.289 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.427 -1.349 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.981 -0.475 4.254 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.236 -2.003 6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.794 -2.755 7.534 1.00 0.00 H new ATOM 1376 N GLU A 94 13.456 -4.713 1.480 1.00 0.00 N ATOM 1377 CA GLU A 94 13.129 -5.645 0.406 1.00 0.00 C ATOM 1378 C GLU A 94 14.037 -5.495 -0.815 1.00 0.00 C ATOM 1379 O GLU A 94 14.383 -6.492 -1.452 1.00 0.00 O ATOM 1380 CB GLU A 94 11.644 -5.492 0.020 1.00 0.00 C ATOM 1381 CG GLU A 94 11.079 -6.863 -0.359 1.00 0.00 C ATOM 1382 CD GLU A 94 9.589 -6.840 -0.755 1.00 0.00 C ATOM 1383 OE1 GLU A 94 9.265 -6.627 -1.948 1.00 0.00 O ATOM 1384 OE2 GLU A 94 8.727 -7.131 0.106 1.00 0.00 O ATOM 0 H GLU A 94 12.669 -4.122 1.747 1.00 0.00 H new ATOM 0 HA GLU A 94 13.304 -6.653 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.081 -5.071 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.543 -4.800 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.659 -7.267 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.210 -7.544 0.482 1.00 0.00 H new ATOM 1391 N ILE A 95 14.465 -4.266 -1.104 1.00 0.00 N ATOM 1392 CA ILE A 95 15.424 -3.955 -2.155 1.00 0.00 C ATOM 1393 C ILE A 95 16.457 -3.011 -1.539 1.00 0.00 C ATOM 1394 O ILE A 95 16.086 -2.084 -0.810 1.00 0.00 O ATOM 1395 CB ILE A 95 14.685 -3.361 -3.368 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.802 -4.467 -3.993 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.654 -2.730 -4.393 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.221 -4.119 -5.358 1.00 0.00 C ATOM 0 H ILE A 95 14.144 -3.440 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 95 15.941 -4.838 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 95 14.049 -2.540 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.394 -5.377 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.982 -4.689 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.085 -2.325 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.217 -1.928 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.344 -3.491 -4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.617 -4.951 -5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.598 -3.229 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 95 14.032 -3.928 -6.061 1.00 0.00 H new ATOM 1410 N PHE A 96 17.732 -3.223 -1.875 1.00 0.00 N ATOM 1411 CA PHE A 96 18.826 -2.330 -1.575 1.00 0.00 C ATOM 1412 C PHE A 96 19.748 -2.314 -2.791 1.00 0.00 C ATOM 1413 O PHE A 96 20.122 -3.377 -3.295 1.00 0.00 O ATOM 1414 CB PHE A 96 19.613 -2.747 -0.325 1.00 0.00 C ATOM 1415 CG PHE A 96 20.777 -1.795 -0.113 1.00 0.00 C ATOM 1416 CD1 PHE A 96 20.551 -0.561 0.522 1.00 0.00 C ATOM 1417 CD2 PHE A 96 22.018 -2.042 -0.739 1.00 0.00 C ATOM 1418 CE1 PHE A 96 21.566 0.410 0.550 1.00 0.00 C ATOM 1419 CE2 PHE A 96 23.010 -1.046 -0.764 1.00 0.00 C ATOM 1420 CZ PHE A 96 22.795 0.169 -0.092 1.00 0.00 C ATOM 0 H PHE A 96 18.029 -4.056 -2.382 1.00 0.00 H new ATOM 0 HA PHE A 96 18.422 -1.340 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.960 -2.738 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 96 19.981 -3.767 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.598 -0.360 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 96 22.206 -3.000 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.403 1.345 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.934 -1.214 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 96 23.573 0.918 -0.068 1.00 0.00 H new ATOM 1430 N GLU A 97 20.146 -1.120 -3.221 1.00 0.00 N ATOM 1431 CA GLU A 97 21.191 -0.886 -4.215 1.00 0.00 C ATOM 1432 C GLU A 97 21.987 0.352 -3.804 1.00 0.00 C ATOM 1433 O GLU A 97 21.466 1.193 -3.079 1.00 0.00 O ATOM 1434 CB GLU A 97 20.559 -0.592 -5.584 1.00 0.00 C ATOM 1435 CG GLU A 97 20.128 -1.842 -6.347 1.00 0.00 C ATOM 1436 CD GLU A 97 19.208 -1.495 -7.528 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.521 -0.569 -8.309 1.00 0.00 O ATOM 1438 OE2 GLU A 97 18.165 -2.169 -7.690 1.00 0.00 O ATOM 0 H GLU A 97 19.734 -0.254 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 97 21.827 -1.769 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 97 19.691 0.052 -5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.273 -0.036 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.010 -2.367 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.611 -2.522 -5.670 1.00 0.00 H new ATOM 1445 N ASP A 98 23.214 0.487 -4.316 1.00 0.00 N ATOM 1446 CA ASP A 98 24.024 1.706 -4.235 1.00 0.00 C ATOM 1447 C ASP A 98 24.365 2.184 -5.645 1.00 0.00 C ATOM 1448 O ASP A 98 25.089 1.506 -6.378 1.00 0.00 O ATOM 1449 CB ASP A 98 25.301 1.602 -3.391 1.00 0.00 C ATOM 1450 CG ASP A 98 25.966 2.992 -3.334 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.397 3.896 -2.677 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.018 3.191 -3.981 1.00 0.00 O ATOM 0 H ASP A 98 23.684 -0.270 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 98 23.403 2.430 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.063 1.255 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 98 25.984 0.873 -3.827 1.00 0.00 H new ATOM 1457 N TRP A 99 23.797 3.319 -6.052 1.00 0.00 N ATOM 1458 CA TRP A 99 23.990 3.914 -7.366 1.00 0.00 C ATOM 1459 C TRP A 99 25.252 4.769 -7.336 1.00 0.00 C ATOM 1460 O TRP A 99 25.225 5.935 -6.938 1.00 0.00 O ATOM 1461 CB TRP A 99 22.736 4.688 -7.800 1.00 0.00 C ATOM 1462 CG TRP A 99 21.477 3.883 -7.988 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.293 2.553 -7.789 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.172 4.386 -8.397 1.00 0.00 C ATOM 1465 NE1 TRP A 99 19.994 2.204 -8.092 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.231 3.309 -8.396 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.701 5.665 -8.754 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.869 3.511 -8.680 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.344 5.882 -9.031 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.439 4.812 -8.983 1.00 0.00 C ATOM 0 H TRP A 99 23.172 3.862 -5.456 1.00 0.00 H new ATOM 0 HA TRP A 99 24.133 3.141 -8.121 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.538 5.460 -7.057 1.00 0.00 H new ATOM 0 HB3 TRP A 99 22.958 5.197 -8.738 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.053 1.868 -7.444 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.642 1.247 -8.091 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.395 6.490 -8.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.172 2.686 -8.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 17.996 6.873 -9.281 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.393 4.992 -9.183 1.00 0.00 H new ATOM 1481 N GLN A 100 26.372 4.164 -7.736 1.00 0.00 N ATOM 1482 CA GLN A 100 27.621 4.866 -7.979 1.00 0.00 C ATOM 1483 C GLN A 100 27.368 5.904 -9.077 1.00 0.00 C ATOM 1484 O GLN A 100 27.000 5.546 -10.199 1.00 0.00 O ATOM 1485 CB GLN A 100 28.698 3.833 -8.341 1.00 0.00 C ATOM 1486 CG GLN A 100 30.084 4.449 -8.588 1.00 0.00 C ATOM 1487 CD GLN A 100 31.184 3.448 -8.234 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.775 2.803 -9.098 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.454 3.276 -6.949 1.00 0.00 N ATOM 0 H GLN A 100 26.432 3.159 -7.901 1.00 0.00 H new ATOM 0 HA GLN A 100 27.983 5.401 -7.101 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.773 3.102 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.385 3.293 -9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.176 4.745 -9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.199 5.352 -7.989 1.00 0.00 H new ATOM 0 HE21 GLN A 100 30.954 3.820 -6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.162 2.600 -6.663 1.00 0.00 H new ATOM 1498 N LEU A 101 27.516 7.187 -8.738 1.00 0.00 N ATOM 1499 CA LEU A 101 27.128 8.331 -9.556 1.00 0.00 C ATOM 1500 C LEU A 101 28.082 9.475 -9.227 1.00 0.00 C ATOM 1501 O LEU A 101 28.541 9.594 -8.088 1.00 0.00 O ATOM 1502 CB LEU A 101 25.692 8.765 -9.199 1.00 0.00 C ATOM 1503 CG LEU A 101 24.562 7.865 -9.740 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.252 8.293 -9.079 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.435 7.899 -11.267 1.00 0.00 C ATOM 0 H LEU A 101 27.927 7.465 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 101 27.170 8.072 -10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.606 8.810 -8.113 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.535 9.777 -9.573 1.00 0.00 H new ATOM 0 HG LEU A 101 24.804 6.832 -9.491 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.438 7.669 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.336 8.179 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 101 23.047 9.336 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.622 7.244 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.225 8.918 -11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.368 7.559 -11.717 1.00 0.00 H new ATOM 1517 N GLU A 102 28.346 10.338 -10.207 1.00 0.00 N ATOM 1518 CA GLU A 102 29.301 11.433 -10.121 1.00 0.00 C ATOM 1519 C GLU A 102 28.670 12.662 -9.488 1.00 0.00 C ATOM 1520 O GLU A 102 28.527 13.698 -10.133 1.00 0.00 O ATOM 1521 CB GLU A 102 29.953 11.710 -11.488 1.00 0.00 C ATOM 1522 CG GLU A 102 30.880 10.568 -11.918 1.00 0.00 C ATOM 1523 CD GLU A 102 32.171 10.504 -11.080 1.00 0.00 C ATOM 1524 OE1 GLU A 102 33.141 11.232 -11.389 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.239 9.707 -10.117 1.00 0.00 O ATOM 0 H GLU A 102 27.882 10.289 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 102 30.113 11.137 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.176 11.850 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.520 12.640 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 102 30.348 9.621 -11.831 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.140 10.692 -12.969 1.00 0.00 H new ATOM 1532 N ASP A 103 28.282 12.475 -8.223 1.00 0.00 N ATOM 1533 CA ASP A 103 27.829 13.465 -7.240 1.00 0.00 C ATOM 1534 C ASP A 103 27.842 14.903 -7.788 1.00 0.00 C ATOM 1535 O ASP A 103 28.876 15.574 -7.706 1.00 0.00 O ATOM 1536 CB ASP A 103 28.685 13.347 -5.975 1.00 0.00 C ATOM 1537 CG ASP A 103 28.424 14.486 -4.987 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.241 14.720 -4.652 1.00 0.00 O ATOM 1539 OD2 ASP A 103 29.383 15.059 -4.428 1.00 0.00 O ATOM 0 H ASP A 103 28.277 11.537 -7.823 1.00 0.00 H new ATOM 0 HA ASP A 103 26.788 13.248 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.480 12.393 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.739 13.344 -6.252 1.00 0.00 H new ATOM 1544 N PRO A 104 26.744 15.348 -8.430 1.00 0.00 N ATOM 1545 CA PRO A 104 26.683 16.595 -9.186 1.00 0.00 C ATOM 1546 C PRO A 104 26.999 17.891 -8.432 1.00 0.00 C ATOM 1547 O PRO A 104 27.059 18.947 -9.055 1.00 0.00 O ATOM 1548 CB PRO A 104 25.308 16.640 -9.833 1.00 0.00 C ATOM 1549 CG PRO A 104 24.950 15.173 -9.986 1.00 0.00 C ATOM 1550 CD PRO A 104 25.614 14.506 -8.790 1.00 0.00 C ATOM 0 HA PRO A 104 27.497 16.569 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.586 17.168 -9.209 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.332 17.151 -10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.870 15.023 -9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.322 14.767 -10.927 1.00 0.00 H new ATOM 0 HD2 PRO A 104 24.916 14.415 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.944 13.498 -9.040 1.00 0.00 H new ATOM 1558 N ASP A 105 27.215 17.847 -7.119 1.00 0.00 N ATOM 1559 CA ASP A 105 27.592 19.007 -6.315 1.00 0.00 C ATOM 1560 C ASP A 105 28.850 19.698 -6.867 1.00 0.00 C ATOM 1561 O ASP A 105 29.980 19.244 -6.669 1.00 0.00 O ATOM 1562 CB ASP A 105 27.756 18.593 -4.853 1.00 0.00 C ATOM 1563 CG ASP A 105 28.010 19.799 -3.931 1.00 0.00 C ATOM 1564 OD1 ASP A 105 29.151 20.307 -3.865 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.066 20.216 -3.226 1.00 0.00 O ATOM 0 H ASP A 105 27.131 16.989 -6.574 1.00 0.00 H new ATOM 0 HA ASP A 105 26.792 19.745 -6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.859 18.068 -4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.586 17.891 -4.767 1.00 0.00 H new ATOM 1570 N GLY A 106 28.631 20.787 -7.606 1.00 0.00 N ATOM 1571 CA GLY A 106 29.644 21.717 -8.088 1.00 0.00 C ATOM 1572 C GLY A 106 30.225 21.328 -9.449 1.00 0.00 C ATOM 1573 O GLY A 106 31.315 21.794 -9.789 1.00 0.00 O ATOM 0 H GLY A 106 27.691 21.055 -7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.208 22.714 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.452 21.773 -7.359 1.00 0.00 H new ATOM 1577 N GLN A 107 29.548 20.462 -10.212 1.00 0.00 N ATOM 1578 CA GLN A 107 30.118 19.860 -11.416 1.00 0.00 C ATOM 1579 C GLN A 107 29.725 20.613 -12.693 1.00 0.00 C ATOM 1580 O GLN A 107 28.970 21.589 -12.668 1.00 0.00 O ATOM 1581 CB GLN A 107 29.688 18.389 -11.516 1.00 0.00 C ATOM 1582 CG GLN A 107 29.865 17.566 -10.237 1.00 0.00 C ATOM 1583 CD GLN A 107 31.294 17.186 -9.852 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.283 17.703 -10.367 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.416 16.230 -8.946 1.00 0.00 N ATOM 0 H GLN A 107 28.594 20.162 -10.011 1.00 0.00 H new ATOM 0 HA GLN A 107 31.203 19.924 -11.329 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.639 18.354 -11.809 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.258 17.915 -12.315 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.428 18.126 -9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.286 16.648 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.584 15.813 -8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.342 15.910 -8.664 1.00 0.00 H new ATOM 1594 N SER A 108 30.248 20.131 -13.820 1.00 0.00 N ATOM 1595 CA SER A 108 29.942 20.602 -15.163 1.00 0.00 C ATOM 1596 C SER A 108 28.559 20.103 -15.592 1.00 0.00 C ATOM 1597 O SER A 108 28.124 19.039 -15.142 1.00 0.00 O ATOM 1598 CB SER A 108 31.015 20.028 -16.096 1.00 0.00 C ATOM 1599 OG SER A 108 32.313 20.426 -15.679 1.00 0.00 O ATOM 0 H SER A 108 30.926 19.369 -13.818 1.00 0.00 H new ATOM 0 HA SER A 108 29.935 21.691 -15.199 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.949 18.940 -16.107 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.836 20.368 -17.116 1.00 0.00 H new ATOM 0 HG SER A 108 32.982 20.048 -16.287 1.00 0.00 H new ATOM 1605 N LEU A 109 27.889 20.805 -16.515 1.00 0.00 N ATOM 1606 CA LEU A 109 26.565 20.402 -17.006 1.00 0.00 C ATOM 1607 C LEU A 109 26.596 19.010 -17.621 1.00 0.00 C ATOM 1608 O LEU A 109 25.615 18.282 -17.523 1.00 0.00 O ATOM 1609 CB LEU A 109 26.015 21.376 -18.060 1.00 0.00 C ATOM 1610 CG LEU A 109 25.717 22.791 -17.533 1.00 0.00 C ATOM 1611 CD1 LEU A 109 25.259 23.682 -18.693 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.644 22.800 -16.436 1.00 0.00 C ATOM 0 H LEU A 109 28.246 21.661 -16.939 1.00 0.00 H new ATOM 0 HA LEU A 109 25.913 20.409 -16.133 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.733 21.451 -18.876 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.099 20.958 -18.479 1.00 0.00 H new ATOM 0 HG LEU A 109 26.639 23.172 -17.093 1.00 0.00 H new ATOM 0 HD11 LEU A 109 25.048 24.684 -18.320 1.00 0.00 H new ATOM 0 HD12 LEU A 109 26.046 23.733 -19.445 1.00 0.00 H new ATOM 0 HD13 LEU A 109 24.357 23.263 -19.139 1.00 0.00 H new ATOM 0 HD21 LEU A 109 24.474 23.823 -16.102 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.715 22.389 -16.832 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.979 22.194 -15.594 1.00 0.00 H new ATOM 1624 N GLU A 110 27.711 18.628 -18.242 1.00 0.00 N ATOM 1625 CA GLU A 110 27.876 17.300 -18.815 1.00 0.00 C ATOM 1626 C GLU A 110 27.819 16.227 -17.720 1.00 0.00 C ATOM 1627 O GLU A 110 27.182 15.191 -17.914 1.00 0.00 O ATOM 1628 CB GLU A 110 29.192 17.271 -19.603 1.00 0.00 C ATOM 1629 CG GLU A 110 29.393 15.953 -20.362 1.00 0.00 C ATOM 1630 CD GLU A 110 30.667 15.989 -21.226 1.00 0.00 C ATOM 1631 OE1 GLU A 110 31.761 15.642 -20.724 1.00 0.00 O ATOM 1632 OE2 GLU A 110 30.588 16.346 -22.423 1.00 0.00 O ATOM 0 H GLU A 110 28.524 19.233 -18.360 1.00 0.00 H new ATOM 0 HA GLU A 110 27.059 17.076 -19.501 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.206 18.100 -20.311 1.00 0.00 H new ATOM 0 HB3 GLU A 110 30.026 17.423 -18.917 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.457 15.129 -19.652 1.00 0.00 H new ATOM 0 HG3 GLU A 110 28.527 15.761 -20.996 1.00 0.00 H new ATOM 1639 N VAL A 111 28.421 16.476 -16.551 1.00 0.00 N ATOM 1640 CA VAL A 111 28.356 15.555 -15.418 1.00 0.00 C ATOM 1641 C VAL A 111 26.915 15.495 -14.919 1.00 0.00 C ATOM 1642 O VAL A 111 26.385 14.401 -14.721 1.00 0.00 O ATOM 1643 CB VAL A 111 29.326 15.989 -14.303 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.194 15.110 -13.051 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.784 15.947 -14.791 1.00 0.00 C ATOM 0 H VAL A 111 28.964 17.320 -16.367 1.00 0.00 H new ATOM 0 HA VAL A 111 28.664 14.558 -15.733 1.00 0.00 H new ATOM 0 HB VAL A 111 29.056 17.012 -14.041 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.896 15.452 -12.291 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.178 15.179 -12.663 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.414 14.074 -13.309 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.447 16.258 -13.984 1.00 0.00 H new ATOM 0 HG22 VAL A 111 31.036 14.932 -15.097 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.903 16.621 -15.639 1.00 0.00 H new ATOM 1655 N PHE A 112 26.263 16.653 -14.770 1.00 0.00 N ATOM 1656 CA PHE A 112 24.869 16.726 -14.361 1.00 0.00 C ATOM 1657 C PHE A 112 23.986 15.902 -15.295 1.00 0.00 C ATOM 1658 O PHE A 112 23.233 15.059 -14.821 1.00 0.00 O ATOM 1659 CB PHE A 112 24.396 18.181 -14.339 1.00 0.00 C ATOM 1660 CG PHE A 112 24.576 18.898 -13.025 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.613 18.756 -12.007 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.698 19.720 -12.823 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.790 19.409 -10.777 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.884 20.356 -11.590 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.946 20.174 -10.565 1.00 0.00 C ATOM 0 H PHE A 112 26.694 17.563 -14.931 1.00 0.00 H new ATOM 0 HA PHE A 112 24.788 16.313 -13.356 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.933 18.732 -15.111 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.339 18.206 -14.606 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.738 18.145 -12.173 1.00 0.00 H new ATOM 0 HD2 PHE A 112 26.416 19.861 -13.618 1.00 0.00 H new ATOM 0 HE1 PHE A 112 23.043 19.323 -10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.747 20.985 -11.429 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.115 20.628 -9.600 1.00 0.00 H new ATOM 1675 N ARG A 113 24.076 16.110 -16.611 1.00 0.00 N ATOM 1676 CA ARG A 113 23.302 15.367 -17.604 1.00 0.00 C ATOM 1677 C ARG A 113 23.626 13.877 -17.565 1.00 0.00 C ATOM 1678 O ARG A 113 22.696 13.076 -17.654 1.00 0.00 O ATOM 1679 CB ARG A 113 23.540 15.967 -19.003 1.00 0.00 C ATOM 1680 CG ARG A 113 22.621 17.177 -19.253 1.00 0.00 C ATOM 1681 CD ARG A 113 23.287 18.279 -20.075 1.00 0.00 C ATOM 1682 NE ARG A 113 22.337 19.349 -20.424 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.654 20.483 -21.062 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.915 20.741 -21.408 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.703 21.357 -21.355 1.00 0.00 N ATOM 0 H ARG A 113 24.697 16.808 -17.020 1.00 0.00 H new ATOM 0 HA ARG A 113 22.243 15.461 -17.364 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.582 16.272 -19.098 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.360 15.207 -19.763 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.721 16.841 -19.769 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.304 17.589 -18.295 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.119 18.701 -19.511 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.704 17.851 -20.987 1.00 0.00 H new ATOM 0 HE ARG A 113 21.361 19.216 -20.159 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.652 20.071 -21.187 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.143 21.608 -21.894 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.736 21.165 -21.095 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.938 22.223 -21.841 1.00 0.00 H new ATOM 1699 N THR A 114 24.890 13.486 -17.393 1.00 0.00 N ATOM 1700 CA THR A 114 25.274 12.091 -17.310 1.00 0.00 C ATOM 1701 C THR A 114 24.601 11.441 -16.096 1.00 0.00 C ATOM 1702 O THR A 114 23.928 10.417 -16.234 1.00 0.00 O ATOM 1703 CB THR A 114 26.811 12.033 -17.257 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.364 12.585 -18.436 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.319 10.606 -17.118 1.00 0.00 C ATOM 0 H THR A 114 25.672 14.136 -17.308 1.00 0.00 H new ATOM 0 HA THR A 114 24.941 11.525 -18.180 1.00 0.00 H new ATOM 0 HB THR A 114 27.119 12.607 -16.383 1.00 0.00 H new ATOM 0 HG1 THR A 114 27.184 13.548 -18.462 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.408 10.609 -17.084 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.929 10.169 -16.199 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.984 10.016 -17.971 1.00 0.00 H new ATOM 1713 N VAL A 115 24.731 12.050 -14.914 1.00 0.00 N ATOM 1714 CA VAL A 115 24.124 11.537 -13.697 1.00 0.00 C ATOM 1715 C VAL A 115 22.609 11.553 -13.826 1.00 0.00 C ATOM 1716 O VAL A 115 21.995 10.540 -13.516 1.00 0.00 O ATOM 1717 CB VAL A 115 24.639 12.309 -12.475 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.842 12.021 -11.191 1.00 0.00 C ATOM 1719 CG2 VAL A 115 26.117 11.973 -12.234 1.00 0.00 C ATOM 0 H VAL A 115 25.261 12.911 -14.781 1.00 0.00 H new ATOM 0 HA VAL A 115 24.416 10.498 -13.546 1.00 0.00 H new ATOM 0 HB VAL A 115 24.512 13.367 -12.702 1.00 0.00 H new ATOM 0 HG11 VAL A 115 24.259 12.599 -10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.799 12.301 -11.340 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.902 10.958 -10.956 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.478 12.523 -11.365 1.00 0.00 H new ATOM 0 HG22 VAL A 115 26.222 10.903 -12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.701 12.254 -13.110 1.00 0.00 H new ATOM 1729 N ARG A 116 21.998 12.632 -14.326 1.00 0.00 N ATOM 1730 CA ARG A 116 20.552 12.701 -14.491 1.00 0.00 C ATOM 1731 C ARG A 116 20.083 11.538 -15.354 1.00 0.00 C ATOM 1732 O ARG A 116 19.107 10.883 -15.000 1.00 0.00 O ATOM 1733 CB ARG A 116 20.127 14.040 -15.120 1.00 0.00 C ATOM 1734 CG ARG A 116 18.598 14.176 -15.013 1.00 0.00 C ATOM 1735 CD ARG A 116 17.892 15.068 -16.041 1.00 0.00 C ATOM 1736 NE ARG A 116 18.304 14.757 -17.426 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.768 15.641 -18.320 1.00 0.00 C ATOM 1738 NH1 ARG A 116 18.662 16.941 -18.082 1.00 0.00 N ATOM 1739 NH2 ARG A 116 19.342 15.222 -19.441 1.00 0.00 N ATOM 0 H ARG A 116 22.492 13.473 -14.624 1.00 0.00 H new ATOM 0 HA ARG A 116 20.086 12.634 -13.508 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.616 14.869 -14.609 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.437 14.082 -16.164 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.166 13.178 -15.081 1.00 0.00 H new ATOM 0 HG3 ARG A 116 18.363 14.557 -14.019 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.813 14.943 -15.948 1.00 0.00 H new ATOM 0 HD3 ARG A 116 18.112 16.113 -15.824 1.00 0.00 H new ATOM 0 HE ARG A 116 18.229 13.785 -17.727 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.228 17.268 -17.219 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.015 17.614 -18.762 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.432 14.223 -19.625 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.693 15.899 -20.118 1.00 0.00 H new ATOM 1753 N GLY A 117 20.772 11.278 -16.464 1.00 0.00 N ATOM 1754 CA GLY A 117 20.410 10.201 -17.360 1.00 0.00 C ATOM 1755 C GLY A 117 20.462 8.868 -16.634 1.00 0.00 C ATOM 1756 O GLY A 117 19.461 8.156 -16.656 1.00 0.00 O ATOM 0 H GLY A 117 21.591 11.809 -16.759 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.408 10.369 -17.754 1.00 0.00 H new ATOM 0 HA3 GLY A 117 21.089 10.185 -18.212 1.00 0.00 H new ATOM 1760 N GLN A 118 21.565 8.562 -15.934 1.00 0.00 N ATOM 1761 CA GLN A 118 21.692 7.322 -15.182 1.00 0.00 C ATOM 1762 C GLN A 118 20.595 7.222 -14.127 1.00 0.00 C ATOM 1763 O GLN A 118 19.860 6.247 -14.104 1.00 0.00 O ATOM 1764 CB GLN A 118 23.067 7.205 -14.511 1.00 0.00 C ATOM 1765 CG GLN A 118 24.213 6.898 -15.485 1.00 0.00 C ATOM 1766 CD GLN A 118 25.407 6.272 -14.758 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.266 5.269 -14.059 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.597 6.835 -14.891 1.00 0.00 N ATOM 0 H GLN A 118 22.384 9.168 -15.878 1.00 0.00 H new ATOM 0 HA GLN A 118 21.588 6.500 -15.891 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.286 8.137 -13.990 1.00 0.00 H new ATOM 0 HB3 GLN A 118 23.026 6.420 -13.756 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.861 6.220 -16.262 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.527 7.816 -15.982 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.706 7.666 -15.472 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.405 6.438 -14.412 1.00 0.00 H new ATOM 1777 N VAL A 119 20.475 8.230 -13.271 1.00 0.00 N ATOM 1778 CA VAL A 119 19.445 8.354 -12.247 1.00 0.00 C ATOM 1779 C VAL A 119 18.067 8.059 -12.842 1.00 0.00 C ATOM 1780 O VAL A 119 17.387 7.178 -12.323 1.00 0.00 O ATOM 1781 CB VAL A 119 19.519 9.743 -11.566 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.330 9.996 -10.636 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.780 9.873 -10.696 1.00 0.00 C ATOM 0 H VAL A 119 21.122 9.018 -13.272 1.00 0.00 H new ATOM 0 HA VAL A 119 19.620 7.613 -11.467 1.00 0.00 H new ATOM 0 HB VAL A 119 19.524 10.464 -12.384 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.427 10.982 -10.182 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.404 9.949 -11.209 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.312 9.237 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.802 10.859 -10.232 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.767 9.107 -9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.666 9.745 -11.318 1.00 0.00 H new ATOM 1793 N LYS A 120 17.641 8.734 -13.917 1.00 0.00 N ATOM 1794 CA LYS A 120 16.291 8.546 -14.440 1.00 0.00 C ATOM 1795 C LYS A 120 16.095 7.111 -14.918 1.00 0.00 C ATOM 1796 O LYS A 120 15.081 6.483 -14.612 1.00 0.00 O ATOM 1797 CB LYS A 120 16.030 9.576 -15.555 1.00 0.00 C ATOM 1798 CG LYS A 120 14.674 9.371 -16.249 1.00 0.00 C ATOM 1799 CD LYS A 120 14.449 10.411 -17.358 1.00 0.00 C ATOM 1800 CE LYS A 120 13.138 10.095 -18.094 1.00 0.00 C ATOM 1801 NZ LYS A 120 12.981 10.884 -19.343 1.00 0.00 N ATOM 0 H LYS A 120 18.208 9.407 -14.433 1.00 0.00 H new ATOM 0 HA LYS A 120 15.560 8.713 -13.648 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.069 10.580 -15.132 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.826 9.512 -16.297 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.629 8.368 -16.674 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.873 9.442 -15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.406 11.412 -16.930 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.284 10.399 -18.058 1.00 0.00 H new ATOM 0 HE2 LYS A 120 13.107 9.032 -18.333 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.296 10.297 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 12.081 10.634 -19.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 12.983 11.899 -19.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.769 10.673 -19.988 1.00 0.00 H new ATOM 1815 N GLU A 121 17.077 6.590 -15.645 1.00 0.00 N ATOM 1816 CA GLU A 121 17.104 5.232 -16.140 1.00 0.00 C ATOM 1817 C GLU A 121 17.000 4.251 -14.963 1.00 0.00 C ATOM 1818 O GLU A 121 16.275 3.259 -15.028 1.00 0.00 O ATOM 1819 CB GLU A 121 18.413 5.114 -16.950 1.00 0.00 C ATOM 1820 CG GLU A 121 19.152 3.782 -16.939 1.00 0.00 C ATOM 1821 CD GLU A 121 18.444 2.639 -17.698 1.00 0.00 C ATOM 1822 OE1 GLU A 121 17.481 2.884 -18.458 1.00 0.00 O ATOM 1823 OE2 GLU A 121 18.866 1.469 -17.555 1.00 0.00 O ATOM 0 H GLU A 121 17.902 7.127 -15.912 1.00 0.00 H new ATOM 0 HA GLU A 121 16.262 4.984 -16.786 1.00 0.00 H new ATOM 0 HB2 GLU A 121 18.185 5.359 -17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 121 19.100 5.878 -16.585 1.00 0.00 H new ATOM 0 HG2 GLU A 121 20.141 3.928 -17.373 1.00 0.00 H new ATOM 0 HG3 GLU A 121 19.300 3.474 -15.904 1.00 0.00 H new ATOM 1830 N ARG A 122 17.708 4.518 -13.867 1.00 0.00 N ATOM 1831 CA ARG A 122 17.770 3.628 -12.725 1.00 0.00 C ATOM 1832 C ARG A 122 16.461 3.698 -11.936 1.00 0.00 C ATOM 1833 O ARG A 122 15.961 2.635 -11.585 1.00 0.00 O ATOM 1834 CB ARG A 122 19.006 3.954 -11.879 1.00 0.00 C ATOM 1835 CG ARG A 122 20.360 3.598 -12.522 1.00 0.00 C ATOM 1836 CD ARG A 122 21.480 4.325 -11.761 1.00 0.00 C ATOM 1837 NE ARG A 122 22.827 4.031 -12.285 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.682 3.110 -11.822 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.316 2.245 -10.876 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.910 3.073 -12.323 1.00 0.00 N ATOM 0 H ARG A 122 18.258 5.369 -13.753 1.00 0.00 H new ATOM 0 HA ARG A 122 17.879 2.595 -13.056 1.00 0.00 H new ATOM 0 HB2 ARG A 122 19.000 5.020 -11.653 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.924 3.426 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.521 2.520 -12.490 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.367 3.890 -13.572 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.305 5.400 -11.810 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.437 4.043 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 122 23.139 4.586 -13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.371 2.278 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 122 23.981 1.550 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.186 3.738 -13.046 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.578 2.380 -11.985 1.00 0.00 H new ATOM 1854 N VAL A 123 15.846 4.869 -11.712 1.00 0.00 N ATOM 1855 CA VAL A 123 14.497 4.966 -11.161 1.00 0.00 C ATOM 1856 C VAL A 123 13.537 4.109 -11.998 1.00 0.00 C ATOM 1857 O VAL A 123 12.761 3.346 -11.423 1.00 0.00 O ATOM 1858 CB VAL A 123 14.042 6.438 -11.088 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.596 6.535 -10.585 1.00 0.00 C ATOM 1860 CG2 VAL A 123 14.896 7.275 -10.123 1.00 0.00 C ATOM 0 H VAL A 123 16.275 5.773 -11.910 1.00 0.00 H new ATOM 0 HA VAL A 123 14.493 4.582 -10.141 1.00 0.00 H new ATOM 0 HB VAL A 123 14.144 6.825 -12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.295 7.582 -10.541 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.937 5.996 -11.266 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.527 6.096 -9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.531 8.302 -10.111 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.829 6.855 -9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 123 15.935 7.263 -10.452 1.00 0.00 H new ATOM 1870 N GLU A 124 13.595 4.184 -13.333 1.00 0.00 N ATOM 1871 CA GLU A 124 12.706 3.403 -14.188 1.00 0.00 C ATOM 1872 C GLU A 124 12.926 1.902 -13.991 1.00 0.00 C ATOM 1873 O GLU A 124 11.962 1.141 -13.889 1.00 0.00 O ATOM 1874 CB GLU A 124 12.900 3.774 -15.672 1.00 0.00 C ATOM 1875 CG GLU A 124 12.195 5.066 -16.099 1.00 0.00 C ATOM 1876 CD GLU A 124 10.688 4.851 -16.336 1.00 0.00 C ATOM 1877 OE1 GLU A 124 9.937 4.601 -15.369 1.00 0.00 O ATOM 1878 OE2 GLU A 124 10.246 4.924 -17.507 1.00 0.00 O ATOM 0 H GLU A 124 14.250 4.779 -13.841 1.00 0.00 H new ATOM 0 HA GLU A 124 11.683 3.643 -13.899 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.967 3.873 -15.873 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.534 2.954 -16.290 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.336 5.827 -15.331 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.655 5.445 -17.012 1.00 0.00 H new ATOM 1885 N ASN A 125 14.188 1.477 -13.889 1.00 0.00 N ATOM 1886 CA ASN A 125 14.533 0.088 -13.608 1.00 0.00 C ATOM 1887 C ASN A 125 13.961 -0.320 -12.259 1.00 0.00 C ATOM 1888 O ASN A 125 13.377 -1.393 -12.137 1.00 0.00 O ATOM 1889 CB ASN A 125 16.052 -0.165 -13.597 1.00 0.00 C ATOM 1890 CG ASN A 125 16.645 -0.418 -14.977 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.948 -1.550 -15.343 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.844 0.625 -15.759 1.00 0.00 N ATOM 0 H ASN A 125 14.997 2.089 -13.999 1.00 0.00 H new ATOM 0 HA ASN A 125 14.104 -0.509 -14.413 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.551 0.695 -13.150 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.263 -1.023 -12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 125 17.255 0.498 -16.684 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.586 1.559 -15.439 1.00 0.00 H new ATOM 1899 N LEU A 126 14.130 0.523 -11.240 1.00 0.00 N ATOM 1900 CA LEU A 126 13.711 0.225 -9.882 1.00 0.00 C ATOM 1901 C LEU A 126 12.195 0.059 -9.840 1.00 0.00 C ATOM 1902 O LEU A 126 11.737 -0.972 -9.359 1.00 0.00 O ATOM 1903 CB LEU A 126 14.355 1.189 -8.857 1.00 0.00 C ATOM 1904 CG LEU A 126 13.396 2.185 -8.197 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.621 1.521 -7.058 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.097 3.403 -7.605 1.00 0.00 C ATOM 0 H LEU A 126 14.566 1.439 -11.341 1.00 0.00 H new ATOM 0 HA LEU A 126 14.098 -0.739 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.830 0.596 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.145 1.749 -9.357 1.00 0.00 H new ATOM 0 HG LEU A 126 12.734 2.511 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.947 2.248 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.043 0.685 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.321 1.157 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.358 4.065 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.807 3.080 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.629 3.936 -8.393 1.00 0.00 H new ATOM 1918 N ILE A 127 11.425 0.987 -10.414 1.00 0.00 N ATOM 1919 CA ILE A 127 9.980 0.881 -10.552 1.00 0.00 C ATOM 1920 C ILE A 127 9.628 -0.454 -11.210 1.00 0.00 C ATOM 1921 O ILE A 127 8.686 -1.103 -10.763 1.00 0.00 O ATOM 1922 CB ILE A 127 9.452 2.094 -11.360 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.456 3.385 -10.507 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.028 1.831 -11.870 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.257 4.682 -11.311 1.00 0.00 C ATOM 0 H ILE A 127 11.803 1.851 -10.803 1.00 0.00 H new ATOM 0 HA ILE A 127 9.498 0.901 -9.574 1.00 0.00 H new ATOM 0 HB ILE A 127 10.122 2.231 -12.209 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.668 3.313 -9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.402 3.447 -9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.678 2.696 -12.434 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.029 0.953 -12.516 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.364 1.658 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.273 5.536 -10.634 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.059 4.783 -12.042 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.298 4.647 -11.827 1.00 0.00 H new ATOM 1937 N ALA A 128 10.354 -0.894 -12.239 1.00 0.00 N ATOM 1938 CA ALA A 128 9.982 -2.090 -12.989 1.00 0.00 C ATOM 1939 C ALA A 128 10.019 -3.344 -12.106 1.00 0.00 C ATOM 1940 O ALA A 128 9.244 -4.279 -12.316 1.00 0.00 O ATOM 1941 CB ALA A 128 10.882 -2.257 -14.218 1.00 0.00 C ATOM 0 H ALA A 128 11.204 -0.438 -12.571 1.00 0.00 H new ATOM 0 HA ALA A 128 8.954 -1.963 -13.330 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.589 -3.154 -14.764 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.778 -1.387 -14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.920 -2.349 -13.899 1.00 0.00 H new ATOM 1947 N LYS A 129 10.906 -3.360 -11.107 1.00 0.00 N ATOM 1948 CA LYS A 129 11.052 -4.443 -10.145 1.00 0.00 C ATOM 1949 C LYS A 129 9.861 -4.507 -9.186 1.00 0.00 C ATOM 1950 O LYS A 129 9.434 -5.601 -8.816 1.00 0.00 O ATOM 1951 CB LYS A 129 12.342 -4.233 -9.345 1.00 0.00 C ATOM 1952 CG LYS A 129 13.587 -4.280 -10.239 1.00 0.00 C ATOM 1953 CD LYS A 129 14.844 -3.898 -9.455 1.00 0.00 C ATOM 1954 CE LYS A 129 15.903 -3.357 -10.425 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.285 -3.500 -9.909 1.00 0.00 N ATOM 0 H LYS A 129 11.560 -2.594 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 129 11.093 -5.385 -10.693 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.299 -3.271 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.420 -5.000 -8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.703 -5.282 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.459 -3.600 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.603 -3.145 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.232 -4.766 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.820 -3.883 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.702 -2.304 -10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.959 -3.149 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.387 -2.949 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.480 -4.502 -9.712 1.00 0.00 H new ATOM 1969 N ILE A 130 9.338 -3.348 -8.775 1.00 0.00 N ATOM 1970 CA ILE A 130 8.359 -3.212 -7.706 1.00 0.00 C ATOM 1971 C ILE A 130 6.907 -3.105 -8.179 1.00 0.00 C ATOM 1972 O ILE A 130 5.996 -3.469 -7.433 1.00 0.00 O ATOM 1973 CB ILE A 130 8.738 -2.014 -6.816 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.911 -0.675 -7.546 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.984 -2.399 -5.991 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.359 0.488 -6.655 1.00 0.00 C ATOM 0 H ILE A 130 9.596 -2.454 -9.194 1.00 0.00 H new ATOM 0 HA ILE A 130 8.396 -4.139 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 130 7.888 -1.818 -6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.641 -0.804 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.965 -0.409 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 130 10.270 -1.563 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 130 9.757 -3.267 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.807 -2.639 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.454 1.392 -7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.620 0.651 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.322 0.250 -6.203 1.00 0.00 H new ATOM 1988 N SER A 131 6.710 -2.599 -9.393 1.00 0.00 N ATOM 1989 CA SER A 131 5.425 -2.471 -10.074 1.00 0.00 C ATOM 1990 C SER A 131 4.602 -3.757 -9.936 1.00 0.00 C ATOM 1991 O SER A 131 5.125 -4.851 -10.240 1.00 0.00 O ATOM 1992 CB SER A 131 5.653 -2.137 -11.550 1.00 0.00 C ATOM 1993 OG SER A 131 6.235 -0.856 -11.660 1.00 0.00 O ATOM 1994 OXT SER A 131 3.420 -3.668 -9.545 1.00 0.00 O ATOM 0 H SER A 131 7.483 -2.249 -9.958 1.00 0.00 H new ATOM 0 HA SER A 131 4.863 -1.662 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.303 -2.884 -12.006 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.707 -2.165 -12.090 1.00 0.00 H new ATOM 0 HG SER A 131 7.159 -0.887 -11.335 1.00 0.00 H new TER 2000 SER A 131