USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 ASN : amide:sc= 0.792 K(o=1.6,f=-2.3) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 147:sc= 0.766 (180deg=0) USER MOD Set 2.1: A 33 THR OG1 : rot 159:sc= 0.991 USER MOD Set 2.2: A 73 TYR OH : rot -168:sc= 1.93 USER MOD Set 3.1: A 43 HIS : no HE2:sc= -3.19 K(o=-2.2,f=-15!) USER MOD Set 3.2: A 45 THR OG1 : rot 94:sc= 0.96 USER MOD Set 4.1: A 23 LYS NZ :NH3+ -178:sc= 2.08 (180deg=1.03) USER MOD Set 4.2: A 60 GLN : amide:sc= 0.787 K(o=2.9,f=-6.8!) USER MOD Set 5.1: A 11 ASN : amide:sc= 0.815 K(o=1.6,f=-4.5!) USER MOD Set 5.2: A 16 GLN : amide:sc= 0.756 K(o=1.6,f=-4.6) USER MOD Set 6.1: A 8 CYS SG : rot 180:sc= -0.662 USER MOD Set 6.2: A 13 CYS SG : rot -173:sc= 1.43 USER MOD Set 7.1: A 5 MET CE :methyl -165:sc= -0.976 (180deg=-1.34) USER MOD Set 7.2: A 35 CYS SG : rot 18:sc= 0.226 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0105 (180deg=-0.0105) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0323 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.19) USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.14) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -101:sc= 1.11 USER MOD Single : A 15 SER OG : rot -107:sc= -0.385 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.0878 (180deg=-0.0878) USER MOD Single : A 24 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.348) USER MOD Single : A 34 SER OG : rot -158:sc= 0.692 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0561 USER MOD Single : A 40 SER OG : rot 23:sc= 0.967 USER MOD Single : A 49 MET CE :methyl -105:sc= -0.551 (180deg=-1.88) USER MOD Single : A 50 MET CE :methyl -124:sc= -4.72! (180deg=-15.9!) USER MOD Single : A 58 SER OG : rot 86:sc= 1.2 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 176:sc= 1.39 USER MOD Single : A 67 ASN : amide:sc= 1.02 K(o=1,f=-0.65) USER MOD Single : A 69 ASN : amide:sc= 0.947 K(o=0.95,f=-0.016) USER MOD Single : A 78 SER OG : rot -110:sc= 0 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0.00183 USER MOD Single : A 85 ASN : amide:sc= 0.908 K(o=0.91,f=-6.7!) USER MOD Single : A 92 THR OG1 : rot -5:sc= 0.448 USER MOD Single : A 93 GLN : amide:sc= 1.01 K(o=1,f=-0.11) USER MOD Single : A 100 GLN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 107 GLN : amide:sc= 0.881 K(o=0.88,f=-0.82) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 118 GLN : amide:sc= 0.905 K(o=0.91,f=-4.6!) USER MOD Single : A 120 LYS NZ :NH3+ -173:sc= 1.16 (180deg=1.13) USER MOD Single : A 131 SER OG : rot 69:sc= -0.413 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.210 -0.566 -2.829 1.00 0.00 N ATOM 2 CA MET A 1 2.230 0.505 -2.952 1.00 0.00 C ATOM 3 C MET A 1 3.541 0.071 -2.293 1.00 0.00 C ATOM 4 O MET A 1 3.533 -0.639 -1.285 1.00 0.00 O ATOM 5 CB MET A 1 1.717 1.844 -2.374 1.00 0.00 C ATOM 6 CG MET A 1 2.761 2.974 -2.391 1.00 0.00 C ATOM 7 SD MET A 1 2.086 4.649 -2.191 1.00 0.00 S ATOM 8 CE MET A 1 1.342 4.943 -3.827 1.00 0.00 C ATOM 0 H1 MET A 1 0.307 -0.152 -2.522 1.00 0.00 H new ATOM 0 H2 MET A 1 1.082 -1.031 -3.750 1.00 0.00 H new ATOM 0 H3 MET A 1 1.525 -1.267 -2.128 1.00 0.00 H new ATOM 0 HA MET A 1 2.424 0.671 -4.012 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.843 2.162 -2.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.388 1.683 -1.347 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.483 2.793 -1.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.307 2.929 -3.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.890 5.935 -3.848 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.114 4.879 -4.594 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.576 4.191 -4.019 1.00 0.00 H new ATOM 18 N LYS A 2 4.675 0.526 -2.839 1.00 0.00 N ATOM 19 CA LYS A 2 6.014 0.300 -2.286 1.00 0.00 C ATOM 20 C LYS A 2 6.653 1.656 -2.017 1.00 0.00 C ATOM 21 O LYS A 2 6.430 2.608 -2.765 1.00 0.00 O ATOM 22 CB LYS A 2 6.839 -0.541 -3.281 1.00 0.00 C ATOM 23 CG LYS A 2 6.307 -1.973 -3.490 1.00 0.00 C ATOM 24 CD LYS A 2 6.283 -2.780 -2.189 1.00 0.00 C ATOM 25 CE LYS A 2 6.374 -4.290 -2.443 1.00 0.00 C ATOM 26 NZ LYS A 2 6.681 -5.035 -1.197 1.00 0.00 N ATOM 0 H LYS A 2 4.686 1.075 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 2 5.968 -0.253 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.859 -0.029 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.869 -0.596 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.300 -1.927 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.930 -2.487 -4.222 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.113 -2.469 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.366 -2.560 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.432 -4.647 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.146 -4.489 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.852 -6.035 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.529 -4.631 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.877 -4.962 -0.542 1.00 0.00 H new ATOM 40 N LYS A 3 7.422 1.758 -0.935 1.00 0.00 N ATOM 41 CA LYS A 3 8.025 3.018 -0.514 1.00 0.00 C ATOM 42 C LYS A 3 9.487 3.019 -0.877 1.00 0.00 C ATOM 43 O LYS A 3 10.214 2.111 -0.477 1.00 0.00 O ATOM 44 CB LYS A 3 7.804 3.235 0.988 1.00 0.00 C ATOM 45 CG LYS A 3 6.524 4.080 1.133 1.00 0.00 C ATOM 46 CD LYS A 3 5.909 4.105 2.533 1.00 0.00 C ATOM 47 CE LYS A 3 5.199 2.780 2.848 1.00 0.00 C ATOM 48 NZ LYS A 3 4.460 2.844 4.129 1.00 0.00 N ATOM 0 H LYS A 3 7.644 0.970 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 3 7.549 3.850 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.698 2.281 1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.657 3.746 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.749 5.104 0.835 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.778 3.702 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.688 4.289 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.199 4.928 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.508 2.537 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.933 1.975 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.329 1.882 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.000 3.411 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.531 3.284 3.972 1.00 0.00 H new ATOM 62 N VAL A 4 9.900 4.039 -1.613 1.00 0.00 N ATOM 63 CA VAL A 4 11.221 4.146 -2.195 1.00 0.00 C ATOM 64 C VAL A 4 11.989 5.223 -1.436 1.00 0.00 C ATOM 65 O VAL A 4 11.453 6.289 -1.128 1.00 0.00 O ATOM 66 CB VAL A 4 11.069 4.504 -3.690 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.416 4.524 -4.423 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.117 3.557 -4.443 1.00 0.00 C ATOM 0 H VAL A 4 9.303 4.838 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 4 11.772 3.208 -2.121 1.00 0.00 H new ATOM 0 HB VAL A 4 10.639 5.505 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.257 4.781 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.069 5.265 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.881 3.540 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.053 3.861 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.497 2.537 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.126 3.601 -3.990 1.00 0.00 H new ATOM 78 N MET A 5 13.258 4.944 -1.171 1.00 0.00 N ATOM 79 CA MET A 5 14.178 5.835 -0.490 1.00 0.00 C ATOM 80 C MET A 5 15.423 6.016 -1.359 1.00 0.00 C ATOM 81 O MET A 5 15.902 5.023 -1.905 1.00 0.00 O ATOM 82 CB MET A 5 14.487 5.226 0.882 1.00 0.00 C ATOM 83 CG MET A 5 15.661 5.907 1.575 1.00 0.00 C ATOM 84 SD MET A 5 15.531 7.711 1.786 1.00 0.00 S ATOM 85 CE MET A 5 14.060 7.873 2.828 1.00 0.00 C ATOM 0 H MET A 5 13.687 4.057 -1.436 1.00 0.00 H new ATOM 0 HA MET A 5 13.754 6.827 -0.332 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.603 5.300 1.516 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.706 4.165 0.763 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.788 5.455 2.559 1.00 0.00 H new ATOM 0 HG3 MET A 5 16.566 5.693 1.007 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.715 8.907 2.813 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.272 7.222 2.449 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.305 7.587 3.851 1.00 0.00 H new ATOM 95 N PHE A 6 15.985 7.229 -1.438 1.00 0.00 N ATOM 96 CA PHE A 6 17.286 7.482 -2.061 1.00 0.00 C ATOM 97 C PHE A 6 18.208 8.136 -1.019 1.00 0.00 C ATOM 98 O PHE A 6 17.771 9.084 -0.375 1.00 0.00 O ATOM 99 CB PHE A 6 17.131 8.371 -3.289 1.00 0.00 C ATOM 100 CG PHE A 6 16.236 7.790 -4.362 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.770 6.910 -5.327 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.867 8.120 -4.390 1.00 0.00 C ATOM 103 CE1 PHE A 6 15.939 6.344 -6.311 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.055 7.550 -5.385 1.00 0.00 C ATOM 105 CZ PHE A 6 14.577 6.664 -6.330 1.00 0.00 C ATOM 0 H PHE A 6 15.543 8.070 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 6 17.725 6.542 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.729 9.335 -2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.116 8.559 -3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.823 6.670 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.449 8.798 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.349 5.668 -7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.005 7.802 -5.420 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.930 6.226 -7.075 1.00 0.00 H new ATOM 115 N VAL A 7 19.461 7.702 -0.837 1.00 0.00 N ATOM 116 CA VAL A 7 20.322 8.158 0.270 1.00 0.00 C ATOM 117 C VAL A 7 21.718 8.500 -0.261 1.00 0.00 C ATOM 118 O VAL A 7 22.413 7.599 -0.720 1.00 0.00 O ATOM 119 CB VAL A 7 20.435 7.063 1.364 1.00 0.00 C ATOM 120 CG1 VAL A 7 21.079 7.626 2.640 1.00 0.00 C ATOM 121 CG2 VAL A 7 19.094 6.416 1.730 1.00 0.00 C ATOM 0 H VAL A 7 19.911 7.024 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 7 19.872 9.048 0.711 1.00 0.00 H new ATOM 0 HB VAL A 7 21.065 6.287 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 7 21.147 6.839 3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 7 22.078 7.996 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.469 8.443 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.252 5.661 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 7 18.412 7.179 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.663 5.947 0.846 1.00 0.00 H new ATOM 131 N CYS A 8 22.169 9.760 -0.178 1.00 0.00 N ATOM 132 CA CYS A 8 23.476 10.177 -0.708 1.00 0.00 C ATOM 133 C CYS A 8 24.396 10.639 0.408 1.00 0.00 C ATOM 134 O CYS A 8 23.957 11.007 1.492 1.00 0.00 O ATOM 135 CB CYS A 8 23.293 11.252 -1.808 1.00 0.00 C ATOM 136 SG CYS A 8 24.831 11.891 -2.544 1.00 0.00 S ATOM 0 H CYS A 8 21.641 10.516 0.257 1.00 0.00 H new ATOM 0 HA CYS A 8 23.959 9.317 -1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.678 10.832 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.738 12.089 -1.384 1.00 0.00 H new ATOM 0 HG CYS A 8 24.543 12.779 -3.449 1.00 0.00 H new ATOM 142 N LYS A 9 25.689 10.703 0.102 1.00 0.00 N ATOM 143 CA LYS A 9 26.732 11.255 0.960 1.00 0.00 C ATOM 144 C LYS A 9 26.440 12.705 1.392 1.00 0.00 C ATOM 145 O LYS A 9 26.949 13.128 2.429 1.00 0.00 O ATOM 146 CB LYS A 9 28.079 11.105 0.217 1.00 0.00 C ATOM 147 CG LYS A 9 29.152 10.439 1.087 1.00 0.00 C ATOM 148 CD LYS A 9 30.399 10.113 0.249 1.00 0.00 C ATOM 149 CE LYS A 9 31.529 9.485 1.080 1.00 0.00 C ATOM 150 NZ LYS A 9 32.165 10.445 2.020 1.00 0.00 N ATOM 0 H LYS A 9 26.053 10.358 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 9 26.771 10.701 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.929 10.515 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.429 12.088 -0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 9 29.423 11.100 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.755 9.525 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 9 30.123 9.430 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.764 11.026 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 9 31.131 8.642 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 9 32.289 9.087 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.918 9.963 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 32.572 11.238 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 31.450 10.806 2.683 1.00 0.00 H new ATOM 164 N ARG A 10 25.607 13.450 0.644 1.00 0.00 N ATOM 165 CA ARG A 10 25.220 14.835 0.964 1.00 0.00 C ATOM 166 C ARG A 10 23.724 15.140 0.812 1.00 0.00 C ATOM 167 O ARG A 10 23.333 16.275 1.065 1.00 0.00 O ATOM 168 CB ARG A 10 26.051 15.813 0.103 1.00 0.00 C ATOM 169 CG ARG A 10 25.745 15.746 -1.408 1.00 0.00 C ATOM 170 CD ARG A 10 26.436 16.871 -2.191 1.00 0.00 C ATOM 171 NE ARG A 10 27.787 16.498 -2.641 1.00 0.00 N ATOM 172 CZ ARG A 10 28.949 16.814 -2.056 1.00 0.00 C ATOM 173 NH1 ARG A 10 28.986 17.509 -0.920 1.00 0.00 N ATOM 174 NH2 ARG A 10 30.082 16.417 -2.619 1.00 0.00 N ATOM 0 H ARG A 10 25.177 13.101 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 10 25.432 14.967 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 10 25.872 16.829 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 10 27.110 15.605 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 10 26.068 14.782 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 10 24.668 15.808 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 10 25.828 17.133 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 10 26.498 17.760 -1.564 1.00 0.00 H new ATOM 0 HE ARG A 10 27.844 15.938 -3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.118 17.811 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 10 29.883 17.739 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.060 15.879 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 10 30.976 16.650 -2.186 1.00 0.00 H new ATOM 188 N ASN A 11 22.897 14.177 0.378 1.00 0.00 N ATOM 189 CA ASN A 11 21.486 14.322 -0.047 1.00 0.00 C ATOM 190 C ASN A 11 21.292 15.232 -1.276 1.00 0.00 C ATOM 191 O ASN A 11 20.704 14.785 -2.256 1.00 0.00 O ATOM 192 CB ASN A 11 20.567 14.787 1.101 1.00 0.00 C ATOM 193 CG ASN A 11 19.147 15.045 0.603 1.00 0.00 C ATOM 194 OD1 ASN A 11 18.672 16.168 0.655 1.00 0.00 O ATOM 195 ND2 ASN A 11 18.447 14.056 0.079 1.00 0.00 N ATOM 0 H ASN A 11 23.212 13.209 0.308 1.00 0.00 H new ATOM 0 HA ASN A 11 21.193 13.315 -0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.548 14.029 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 11 20.970 15.697 1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 11 17.509 14.230 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.844 13.117 0.035 1.00 0.00 H new ATOM 202 N SER A 12 21.818 16.457 -1.247 1.00 0.00 N ATOM 203 CA SER A 12 21.619 17.591 -2.151 1.00 0.00 C ATOM 204 C SER A 12 21.555 17.388 -3.668 1.00 0.00 C ATOM 205 O SER A 12 21.072 18.298 -4.345 1.00 0.00 O ATOM 206 CB SER A 12 22.759 18.576 -1.884 1.00 0.00 C ATOM 207 OG SER A 12 22.744 18.978 -0.536 1.00 0.00 O ATOM 0 H SER A 12 22.469 16.707 -0.503 1.00 0.00 H new ATOM 0 HA SER A 12 20.604 17.909 -1.911 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.715 18.111 -2.122 1.00 0.00 H new ATOM 0 HB3 SER A 12 22.658 19.446 -2.532 1.00 0.00 H new ATOM 0 HG SER A 12 22.340 19.868 -0.465 1.00 0.00 H new ATOM 213 N CYS A 13 22.045 16.276 -4.216 1.00 0.00 N ATOM 214 CA CYS A 13 22.232 16.109 -5.652 1.00 0.00 C ATOM 215 C CYS A 13 21.638 14.784 -6.134 1.00 0.00 C ATOM 216 O CYS A 13 20.518 14.780 -6.650 1.00 0.00 O ATOM 217 CB CYS A 13 23.735 16.269 -5.964 1.00 0.00 C ATOM 218 SG CYS A 13 24.745 15.236 -4.847 1.00 0.00 S ATOM 0 H CYS A 13 22.325 15.461 -3.669 1.00 0.00 H new ATOM 0 HA CYS A 13 21.691 16.876 -6.206 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.928 15.988 -6.999 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.023 17.315 -5.859 1.00 0.00 H new ATOM 0 HG CYS A 13 26.005 15.495 -5.037 1.00 0.00 H new ATOM 224 N ARG A 14 22.367 13.669 -5.954 1.00 0.00 N ATOM 225 CA ARG A 14 22.019 12.371 -6.534 1.00 0.00 C ATOM 226 C ARG A 14 20.583 12.002 -6.113 1.00 0.00 C ATOM 227 O ARG A 14 19.741 11.702 -6.962 1.00 0.00 O ATOM 228 CB ARG A 14 23.015 11.267 -6.112 1.00 0.00 C ATOM 229 CG ARG A 14 24.479 11.425 -6.578 1.00 0.00 C ATOM 230 CD ARG A 14 25.263 10.236 -5.997 1.00 0.00 C ATOM 231 NE ARG A 14 26.713 10.217 -6.291 1.00 0.00 N ATOM 232 CZ ARG A 14 27.693 9.987 -5.398 1.00 0.00 C ATOM 233 NH1 ARG A 14 27.444 9.945 -4.096 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.941 9.792 -5.809 1.00 0.00 N ATOM 0 H ARG A 14 23.221 13.649 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 14 22.076 12.448 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.011 11.206 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.642 10.314 -6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 14 24.539 11.433 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.896 12.370 -6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 14 25.130 10.231 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.822 9.314 -6.376 1.00 0.00 H new ATOM 0 HE ARG A 14 26.994 10.394 -7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.494 10.089 -3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 14 28.203 9.769 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 14 29.160 9.816 -6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.681 9.618 -5.129 1.00 0.00 H new ATOM 248 N SER A 15 20.291 12.074 -4.805 1.00 0.00 N ATOM 249 CA SER A 15 19.019 11.633 -4.245 1.00 0.00 C ATOM 250 C SER A 15 17.865 12.556 -4.648 1.00 0.00 C ATOM 251 O SER A 15 16.760 12.083 -4.901 1.00 0.00 O ATOM 252 CB SER A 15 19.080 11.623 -2.713 1.00 0.00 C ATOM 253 OG SER A 15 20.362 11.370 -2.194 1.00 0.00 O ATOM 0 H SER A 15 20.939 12.443 -4.109 1.00 0.00 H new ATOM 0 HA SER A 15 18.842 10.632 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 15 18.731 12.586 -2.339 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.391 10.867 -2.337 1.00 0.00 H new ATOM 0 HG SER A 15 20.391 10.465 -1.820 1.00 0.00 H new ATOM 259 N GLN A 16 18.079 13.877 -4.650 1.00 0.00 N ATOM 260 CA GLN A 16 16.987 14.838 -4.822 1.00 0.00 C ATOM 261 C GLN A 16 16.437 14.781 -6.248 1.00 0.00 C ATOM 262 O GLN A 16 15.219 14.801 -6.431 1.00 0.00 O ATOM 263 CB GLN A 16 17.455 16.259 -4.462 1.00 0.00 C ATOM 264 CG GLN A 16 17.730 16.442 -2.959 1.00 0.00 C ATOM 265 CD GLN A 16 16.490 16.240 -2.088 1.00 0.00 C ATOM 266 OE1 GLN A 16 16.320 15.197 -1.462 1.00 0.00 O ATOM 267 NE2 GLN A 16 15.601 17.222 -2.041 1.00 0.00 N ATOM 0 H GLN A 16 18.998 14.303 -4.534 1.00 0.00 H new ATOM 0 HA GLN A 16 16.179 14.569 -4.142 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.362 16.489 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.696 16.975 -4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.502 15.737 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.126 17.443 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.761 18.080 -2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.757 17.119 -1.478 1.00 0.00 H new ATOM 276 N MET A 17 17.314 14.646 -7.248 1.00 0.00 N ATOM 277 CA MET A 17 16.879 14.407 -8.619 1.00 0.00 C ATOM 278 C MET A 17 16.130 13.079 -8.716 1.00 0.00 C ATOM 279 O MET A 17 15.053 13.030 -9.314 1.00 0.00 O ATOM 280 CB MET A 17 18.073 14.420 -9.577 1.00 0.00 C ATOM 281 CG MET A 17 18.644 15.828 -9.763 1.00 0.00 C ATOM 282 SD MET A 17 19.661 16.057 -11.247 1.00 0.00 S ATOM 283 CE MET A 17 21.182 15.231 -10.726 1.00 0.00 C ATOM 0 H MET A 17 18.326 14.699 -7.130 1.00 0.00 H new ATOM 0 HA MET A 17 16.201 15.210 -8.908 1.00 0.00 H new ATOM 0 HB2 MET A 17 18.852 13.761 -9.194 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.766 14.023 -10.544 1.00 0.00 H new ATOM 0 HG2 MET A 17 17.817 16.537 -9.796 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.244 16.078 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 17 21.917 15.282 -11.529 1.00 0.00 H new ATOM 0 HE2 MET A 17 21.579 15.725 -9.839 1.00 0.00 H new ATOM 0 HE3 MET A 17 20.968 14.187 -10.495 1.00 0.00 H new ATOM 293 N ALA A 18 16.659 12.018 -8.091 1.00 0.00 N ATOM 294 CA ALA A 18 15.994 10.723 -8.084 1.00 0.00 C ATOM 295 C ALA A 18 14.576 10.833 -7.516 1.00 0.00 C ATOM 296 O ALA A 18 13.665 10.197 -8.042 1.00 0.00 O ATOM 297 CB ALA A 18 16.820 9.708 -7.293 1.00 0.00 C ATOM 0 H ALA A 18 17.545 12.039 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 18 15.911 10.376 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.311 8.744 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.803 9.601 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.936 10.054 -6.266 1.00 0.00 H new ATOM 303 N GLU A 19 14.385 11.674 -6.495 1.00 0.00 N ATOM 304 CA GLU A 19 13.086 11.873 -5.855 1.00 0.00 C ATOM 305 C GLU A 19 12.088 12.434 -6.865 1.00 0.00 C ATOM 306 O GLU A 19 10.991 11.899 -7.033 1.00 0.00 O ATOM 307 CB GLU A 19 13.181 12.845 -4.660 1.00 0.00 C ATOM 308 CG GLU A 19 12.209 12.411 -3.554 1.00 0.00 C ATOM 309 CD GLU A 19 11.957 13.511 -2.522 1.00 0.00 C ATOM 310 OE1 GLU A 19 11.305 14.504 -2.910 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.329 13.357 -1.338 1.00 0.00 O ATOM 0 H GLU A 19 15.132 12.237 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 19 12.752 10.902 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.200 12.862 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.946 13.859 -4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.261 12.117 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.609 11.531 -3.050 1.00 0.00 H new ATOM 318 N GLY A 20 12.483 13.522 -7.531 1.00 0.00 N ATOM 319 CA GLY A 20 11.645 14.224 -8.483 1.00 0.00 C ATOM 320 C GLY A 20 11.271 13.330 -9.667 1.00 0.00 C ATOM 321 O GLY A 20 10.111 13.340 -10.090 1.00 0.00 O ATOM 0 H GLY A 20 13.407 13.939 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.738 14.569 -7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.167 15.110 -8.845 1.00 0.00 H new ATOM 325 N PHE A 21 12.209 12.525 -10.189 1.00 0.00 N ATOM 326 CA PHE A 21 11.885 11.610 -11.279 1.00 0.00 C ATOM 327 C PHE A 21 10.923 10.554 -10.737 1.00 0.00 C ATOM 328 O PHE A 21 9.850 10.367 -11.294 1.00 0.00 O ATOM 329 CB PHE A 21 13.130 10.951 -11.909 1.00 0.00 C ATOM 330 CG PHE A 21 14.200 11.891 -12.448 1.00 0.00 C ATOM 331 CD1 PHE A 21 13.885 12.961 -13.310 1.00 0.00 C ATOM 332 CD2 PHE A 21 15.536 11.708 -12.051 1.00 0.00 C ATOM 333 CE1 PHE A 21 14.866 13.919 -13.633 1.00 0.00 C ATOM 334 CE2 PHE A 21 16.530 12.621 -12.435 1.00 0.00 C ATOM 335 CZ PHE A 21 16.186 13.756 -13.183 1.00 0.00 C ATOM 0 H PHE A 21 13.179 12.493 -9.877 1.00 0.00 H new ATOM 0 HA PHE A 21 11.422 12.180 -12.084 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.589 10.305 -11.160 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.799 10.308 -12.725 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.891 13.046 -13.723 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.800 10.855 -11.444 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.602 14.781 -14.228 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.559 12.450 -12.155 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.933 14.502 -13.412 1.00 0.00 H new ATOM 345 N ALA A 22 11.252 9.904 -9.620 1.00 0.00 N ATOM 346 CA ALA A 22 10.489 8.795 -9.063 1.00 0.00 C ATOM 347 C ALA A 22 9.043 9.161 -8.786 1.00 0.00 C ATOM 348 O ALA A 22 8.166 8.370 -9.127 1.00 0.00 O ATOM 349 CB ALA A 22 11.160 8.298 -7.785 1.00 0.00 C ATOM 0 H ALA A 22 12.076 10.142 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 22 10.477 8.001 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.586 7.469 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.172 7.962 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.202 9.108 -7.057 1.00 0.00 H new ATOM 355 N LYS A 23 8.752 10.340 -8.225 1.00 0.00 N ATOM 356 CA LYS A 23 7.358 10.719 -8.058 1.00 0.00 C ATOM 357 C LYS A 23 6.701 10.979 -9.402 1.00 0.00 C ATOM 358 O LYS A 23 5.557 10.601 -9.581 1.00 0.00 O ATOM 359 CB LYS A 23 7.145 11.864 -7.064 1.00 0.00 C ATOM 360 CG LYS A 23 7.764 13.215 -7.434 1.00 0.00 C ATOM 361 CD LYS A 23 7.700 14.157 -6.223 1.00 0.00 C ATOM 362 CE LYS A 23 8.701 13.731 -5.145 1.00 0.00 C ATOM 363 NZ LYS A 23 8.847 14.754 -4.080 1.00 0.00 N ATOM 0 H LYS A 23 9.437 11.019 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 23 6.856 9.865 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.072 12.005 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.548 11.557 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.799 13.079 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.230 13.653 -8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.913 15.178 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.692 14.156 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.376 12.790 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.672 13.547 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.559 14.438 -3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.150 15.655 -4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.935 14.887 -3.599 1.00 0.00 H new ATOM 377 N THR A 24 7.383 11.533 -10.393 1.00 0.00 N ATOM 378 CA THR A 24 6.729 11.745 -11.663 1.00 0.00 C ATOM 379 C THR A 24 6.406 10.400 -12.330 1.00 0.00 C ATOM 380 O THR A 24 5.317 10.200 -12.871 1.00 0.00 O ATOM 381 CB THR A 24 7.673 12.592 -12.528 1.00 0.00 C ATOM 382 OG1 THR A 24 8.008 13.795 -11.861 1.00 0.00 O ATOM 383 CG2 THR A 24 7.024 12.926 -13.862 1.00 0.00 C ATOM 0 H THR A 24 8.356 11.833 -10.342 1.00 0.00 H new ATOM 0 HA THR A 24 5.781 12.266 -11.532 1.00 0.00 H new ATOM 0 HB THR A 24 8.578 12.010 -12.705 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.746 13.629 -11.238 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.709 13.527 -14.460 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.791 12.004 -14.394 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.106 13.487 -13.689 1.00 0.00 H new ATOM 391 N LEU A 25 7.365 9.478 -12.279 1.00 0.00 N ATOM 392 CA LEU A 25 7.325 8.197 -12.956 1.00 0.00 C ATOM 393 C LEU A 25 6.372 7.234 -12.258 1.00 0.00 C ATOM 394 O LEU A 25 5.690 6.449 -12.919 1.00 0.00 O ATOM 395 CB LEU A 25 8.739 7.603 -12.955 1.00 0.00 C ATOM 396 CG LEU A 25 9.770 8.404 -13.773 1.00 0.00 C ATOM 397 CD1 LEU A 25 11.155 7.869 -13.421 1.00 0.00 C ATOM 398 CD2 LEU A 25 9.511 8.287 -15.276 1.00 0.00 C ATOM 0 H LEU A 25 8.222 9.614 -11.742 1.00 0.00 H new ATOM 0 HA LEU A 25 6.968 8.346 -13.975 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.088 7.531 -11.925 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.693 6.587 -13.348 1.00 0.00 H new ATOM 0 HG LEU A 25 9.693 9.463 -13.526 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.911 8.416 -13.985 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.334 7.998 -12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.211 6.810 -13.673 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.258 8.865 -15.820 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.573 7.241 -15.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.517 8.672 -15.505 1.00 0.00 H new ATOM 410 N GLY A 26 6.333 7.295 -10.926 1.00 0.00 N ATOM 411 CA GLY A 26 5.656 6.299 -10.111 1.00 0.00 C ATOM 412 C GLY A 26 4.710 6.790 -9.017 1.00 0.00 C ATOM 413 O GLY A 26 4.089 5.925 -8.394 1.00 0.00 O ATOM 0 H GLY A 26 6.773 8.040 -10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.087 5.652 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.419 5.679 -9.640 1.00 0.00 H new ATOM 417 N ALA A 27 4.542 8.094 -8.759 1.00 0.00 N ATOM 418 CA ALA A 27 3.510 8.569 -7.833 1.00 0.00 C ATOM 419 C ALA A 27 2.141 8.062 -8.306 1.00 0.00 C ATOM 420 O ALA A 27 1.645 8.485 -9.354 1.00 0.00 O ATOM 421 CB ALA A 27 3.536 10.101 -7.666 1.00 0.00 C ATOM 0 H ALA A 27 5.106 8.834 -9.177 1.00 0.00 H new ATOM 0 HA ALA A 27 3.714 8.164 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.753 10.405 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.507 10.408 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.367 10.575 -8.633 1.00 0.00 H new ATOM 427 N GLY A 28 1.571 7.113 -7.558 1.00 0.00 N ATOM 428 CA GLY A 28 0.381 6.353 -7.938 1.00 0.00 C ATOM 429 C GLY A 28 0.533 4.862 -7.618 1.00 0.00 C ATOM 430 O GLY A 28 -0.459 4.206 -7.294 1.00 0.00 O ATOM 0 H GLY A 28 1.937 6.846 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.488 6.751 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.194 6.479 -9.004 1.00 0.00 H new ATOM 434 N LYS A 29 1.767 4.336 -7.638 1.00 0.00 N ATOM 435 CA LYS A 29 2.098 2.975 -7.186 1.00 0.00 C ATOM 436 C LYS A 29 3.326 2.934 -6.282 1.00 0.00 C ATOM 437 O LYS A 29 3.513 1.943 -5.574 1.00 0.00 O ATOM 438 CB LYS A 29 2.142 1.944 -8.334 1.00 0.00 C ATOM 439 CG LYS A 29 2.713 2.340 -9.706 1.00 0.00 C ATOM 440 CD LYS A 29 4.215 2.649 -9.755 1.00 0.00 C ATOM 441 CE LYS A 29 4.756 2.659 -11.197 1.00 0.00 C ATOM 442 NZ LYS A 29 3.968 3.472 -12.166 1.00 0.00 N ATOM 0 H LYS A 29 2.578 4.854 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 29 1.264 2.660 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.717 1.089 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.122 1.597 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.507 1.532 -10.408 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.172 3.217 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.401 3.618 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.757 1.906 -9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.779 3.034 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.798 1.632 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.565 3.713 -12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.144 2.925 -12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.644 4.345 -11.704 1.00 0.00 H new ATOM 456 N ILE A 30 4.105 4.012 -6.215 1.00 0.00 N ATOM 457 CA ILE A 30 5.156 4.181 -5.228 1.00 0.00 C ATOM 458 C ILE A 30 4.993 5.538 -4.558 1.00 0.00 C ATOM 459 O ILE A 30 4.409 6.463 -5.127 1.00 0.00 O ATOM 460 CB ILE A 30 6.571 4.027 -5.822 1.00 0.00 C ATOM 461 CG1 ILE A 30 6.871 4.966 -7.007 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.817 2.570 -6.225 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.369 5.227 -7.230 1.00 0.00 C ATOM 0 H ILE A 30 4.018 4.800 -6.856 1.00 0.00 H new ATOM 0 HA ILE A 30 5.054 3.384 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 30 7.259 4.324 -5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.448 4.536 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.367 5.918 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.819 2.472 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.726 1.930 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.081 2.270 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.499 5.896 -8.081 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.795 5.687 -6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.877 4.283 -7.430 1.00 0.00 H new ATOM 475 N ALA A 31 5.550 5.643 -3.357 1.00 0.00 N ATOM 476 CA ALA A 31 5.720 6.882 -2.625 1.00 0.00 C ATOM 477 C ALA A 31 7.221 6.994 -2.398 1.00 0.00 C ATOM 478 O ALA A 31 7.853 6.005 -2.020 1.00 0.00 O ATOM 479 CB ALA A 31 4.959 6.814 -1.298 1.00 0.00 C ATOM 0 H ALA A 31 5.908 4.833 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 31 5.330 7.748 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.092 7.749 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.899 6.656 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.344 5.988 -0.700 1.00 0.00 H new ATOM 485 N VAL A 32 7.800 8.164 -2.648 1.00 0.00 N ATOM 486 CA VAL A 32 9.233 8.344 -2.592 1.00 0.00 C ATOM 487 C VAL A 32 9.638 9.374 -1.545 1.00 0.00 C ATOM 488 O VAL A 32 8.917 10.342 -1.284 1.00 0.00 O ATOM 489 CB VAL A 32 9.698 8.729 -4.003 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.014 9.966 -4.596 1.00 0.00 C ATOM 491 CG2 VAL A 32 11.211 8.894 -4.036 1.00 0.00 C ATOM 0 H VAL A 32 7.283 9.008 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 32 9.720 7.420 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 32 9.393 7.899 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.409 10.157 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.940 9.793 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.206 10.829 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.525 9.167 -5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.507 9.678 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.686 7.955 -3.750 1.00 0.00 H new ATOM 501 N THR A 33 10.828 9.177 -0.984 1.00 0.00 N ATOM 502 CA THR A 33 11.515 10.143 -0.168 1.00 0.00 C ATOM 503 C THR A 33 12.997 10.008 -0.523 1.00 0.00 C ATOM 504 O THR A 33 13.460 8.923 -0.874 1.00 0.00 O ATOM 505 CB THR A 33 11.268 9.863 1.322 1.00 0.00 C ATOM 506 OG1 THR A 33 9.902 9.600 1.604 1.00 0.00 O ATOM 507 CG2 THR A 33 11.722 11.011 2.226 1.00 0.00 C ATOM 0 H THR A 33 11.349 8.307 -1.096 1.00 0.00 H new ATOM 0 HA THR A 33 11.159 11.157 -0.352 1.00 0.00 H new ATOM 0 HB THR A 33 11.866 8.977 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.831 9.113 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.522 10.756 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.791 11.179 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.177 11.918 1.964 1.00 0.00 H new ATOM 515 N SER A 34 13.753 11.084 -0.406 1.00 0.00 N ATOM 516 CA SER A 34 15.194 11.070 -0.491 1.00 0.00 C ATOM 517 C SER A 34 15.793 11.700 0.762 1.00 0.00 C ATOM 518 O SER A 34 15.159 12.518 1.433 1.00 0.00 O ATOM 519 CB SER A 34 15.626 11.798 -1.750 1.00 0.00 C ATOM 520 OG SER A 34 15.148 11.121 -2.891 1.00 0.00 O ATOM 0 H SER A 34 13.367 12.014 -0.245 1.00 0.00 H new ATOM 0 HA SER A 34 15.558 10.044 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.245 12.819 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.713 11.864 -1.786 1.00 0.00 H new ATOM 0 HG SER A 34 15.695 11.362 -3.668 1.00 0.00 H new ATOM 526 N CYS A 35 17.013 11.284 1.093 1.00 0.00 N ATOM 527 CA CYS A 35 17.719 11.580 2.320 1.00 0.00 C ATOM 528 C CYS A 35 19.215 11.577 2.001 1.00 0.00 C ATOM 529 O CYS A 35 19.631 11.491 0.835 1.00 0.00 O ATOM 530 CB CYS A 35 17.368 10.506 3.366 1.00 0.00 C ATOM 531 SG CYS A 35 15.737 10.840 4.083 1.00 0.00 S ATOM 0 H CYS A 35 17.562 10.695 0.467 1.00 0.00 H new ATOM 0 HA CYS A 35 17.438 12.552 2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.374 9.520 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 35 18.123 10.493 4.152 1.00 0.00 H new ATOM 0 HG CYS A 35 15.080 11.651 3.308 1.00 0.00 H new ATOM 537 N GLY A 36 20.047 11.656 3.029 1.00 0.00 N ATOM 538 CA GLY A 36 21.471 11.452 2.902 1.00 0.00 C ATOM 539 C GLY A 36 22.102 11.242 4.262 1.00 0.00 C ATOM 540 O GLY A 36 21.443 11.458 5.284 1.00 0.00 O ATOM 0 H GLY A 36 19.744 11.866 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 36 21.665 10.587 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.925 12.314 2.413 1.00 0.00 H new ATOM 544 N LEU A 37 23.371 10.820 4.251 1.00 0.00 N ATOM 545 CA LEU A 37 24.161 10.581 5.464 1.00 0.00 C ATOM 546 C LEU A 37 24.160 11.818 6.365 1.00 0.00 C ATOM 547 O LEU A 37 24.123 11.704 7.590 1.00 0.00 O ATOM 548 CB LEU A 37 25.616 10.206 5.122 1.00 0.00 C ATOM 549 CG LEU A 37 25.810 8.957 4.242 1.00 0.00 C ATOM 550 CD1 LEU A 37 27.307 8.668 4.083 1.00 0.00 C ATOM 551 CD2 LEU A 37 25.121 7.714 4.811 1.00 0.00 C ATOM 0 H LEU A 37 23.884 10.633 3.390 1.00 0.00 H new ATOM 0 HA LEU A 37 23.697 9.747 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 37 26.079 11.055 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 37 26.159 10.055 6.055 1.00 0.00 H new ATOM 0 HG LEU A 37 25.350 9.175 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 37 27.443 7.784 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 37 27.794 9.522 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 37 27.750 8.492 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.293 6.867 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.529 7.491 5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 37 24.050 7.898 4.894 1.00 0.00 H new ATOM 563 N GLU A 38 24.174 12.994 5.742 1.00 0.00 N ATOM 564 CA GLU A 38 23.966 14.293 6.352 1.00 0.00 C ATOM 565 C GLU A 38 23.327 15.157 5.261 1.00 0.00 C ATOM 566 O GLU A 38 23.550 14.922 4.067 1.00 0.00 O ATOM 567 CB GLU A 38 25.307 14.866 6.837 1.00 0.00 C ATOM 568 CG GLU A 38 25.138 16.112 7.717 1.00 0.00 C ATOM 569 CD GLU A 38 26.487 16.584 8.291 1.00 0.00 C ATOM 570 OE1 GLU A 38 27.228 17.322 7.601 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.816 16.238 9.448 1.00 0.00 O ATOM 0 H GLU A 38 24.341 13.063 4.738 1.00 0.00 H new ATOM 0 HA GLU A 38 23.322 14.249 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.842 14.100 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.923 15.117 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.690 16.915 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.451 15.891 8.534 1.00 0.00 H new ATOM 578 N SER A 39 22.508 16.124 5.662 1.00 0.00 N ATOM 579 CA SER A 39 21.826 17.041 4.759 1.00 0.00 C ATOM 580 C SER A 39 22.696 18.262 4.419 1.00 0.00 C ATOM 581 O SER A 39 23.703 18.552 5.072 1.00 0.00 O ATOM 582 CB SER A 39 20.497 17.460 5.410 1.00 0.00 C ATOM 583 OG SER A 39 20.659 17.740 6.794 1.00 0.00 O ATOM 0 H SER A 39 22.296 16.295 6.645 1.00 0.00 H new ATOM 0 HA SER A 39 21.630 16.538 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.105 18.342 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.762 16.665 5.282 1.00 0.00 H new ATOM 0 HG SER A 39 19.797 18.005 7.177 1.00 0.00 H new ATOM 589 N SER A 40 22.281 18.994 3.389 1.00 0.00 N ATOM 590 CA SER A 40 22.752 20.305 2.949 1.00 0.00 C ATOM 591 C SER A 40 21.638 20.858 2.040 1.00 0.00 C ATOM 592 O SER A 40 20.673 20.141 1.763 1.00 0.00 O ATOM 593 CB SER A 40 24.101 20.158 2.226 1.00 0.00 C ATOM 594 OG SER A 40 25.131 19.903 3.165 1.00 0.00 O ATOM 0 H SER A 40 21.535 18.652 2.783 1.00 0.00 H new ATOM 0 HA SER A 40 22.935 20.994 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.048 19.344 1.503 1.00 0.00 H new ATOM 0 HB3 SER A 40 24.324 21.067 1.668 1.00 0.00 H new ATOM 0 HG SER A 40 24.743 19.527 3.983 1.00 0.00 H new ATOM 600 N ARG A 41 21.698 22.118 1.594 1.00 0.00 N ATOM 601 CA ARG A 41 20.659 22.691 0.726 1.00 0.00 C ATOM 602 C ARG A 41 20.577 21.892 -0.575 1.00 0.00 C ATOM 603 O ARG A 41 21.585 21.337 -1.013 1.00 0.00 O ATOM 604 CB ARG A 41 20.956 24.173 0.429 1.00 0.00 C ATOM 605 CG ARG A 41 20.863 25.058 1.682 1.00 0.00 C ATOM 606 CD ARG A 41 21.127 26.527 1.329 1.00 0.00 C ATOM 607 NE ARG A 41 21.047 27.394 2.519 1.00 0.00 N ATOM 608 CZ ARG A 41 21.259 28.717 2.536 1.00 0.00 C ATOM 609 NH1 ARG A 41 21.572 29.369 1.418 1.00 0.00 N ATOM 610 NH2 ARG A 41 21.157 29.386 3.680 1.00 0.00 N ATOM 0 H ARG A 41 22.456 22.762 1.819 1.00 0.00 H new ATOM 0 HA ARG A 41 19.700 22.635 1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.954 24.261 0.000 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.254 24.537 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.875 24.959 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.586 24.722 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.114 26.621 0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.402 26.859 0.586 1.00 0.00 H new ATOM 0 HE ARG A 41 20.810 26.948 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.652 28.861 0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.731 30.376 1.443 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.918 28.892 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.317 30.393 3.698 1.00 0.00 H new ATOM 624 N VAL A 42 19.402 21.851 -1.206 1.00 0.00 N ATOM 625 CA VAL A 42 19.254 21.269 -2.545 1.00 0.00 C ATOM 626 C VAL A 42 20.205 22.020 -3.485 1.00 0.00 C ATOM 627 O VAL A 42 20.249 23.255 -3.464 1.00 0.00 O ATOM 628 CB VAL A 42 17.791 21.345 -3.042 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.629 20.646 -4.403 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.813 20.703 -2.046 1.00 0.00 C ATOM 0 H VAL A 42 18.535 22.215 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 42 19.509 20.209 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 42 17.556 22.405 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.590 20.716 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.272 21.129 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.910 19.597 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.797 20.778 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.072 19.653 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 42 16.875 21.222 -1.089 1.00 0.00 H new ATOM 640 N HIS A 43 20.972 21.292 -4.300 1.00 0.00 N ATOM 641 CA HIS A 43 21.870 21.898 -5.271 1.00 0.00 C ATOM 642 C HIS A 43 21.039 22.600 -6.371 1.00 0.00 C ATOM 643 O HIS A 43 20.046 22.027 -6.820 1.00 0.00 O ATOM 644 CB HIS A 43 22.794 20.796 -5.822 1.00 0.00 C ATOM 645 CG HIS A 43 23.760 21.331 -6.838 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.067 21.726 -6.663 1.00 0.00 N ATOM 647 CD2 HIS A 43 23.398 21.707 -8.093 1.00 0.00 C ATOM 648 CE1 HIS A 43 25.457 22.335 -7.797 1.00 0.00 C ATOM 649 NE2 HIS A 43 24.442 22.429 -8.664 1.00 0.00 N ATOM 0 H HIS A 43 20.984 20.272 -4.302 1.00 0.00 H new ATOM 0 HA HIS A 43 22.497 22.665 -4.817 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.347 20.341 -5.000 1.00 0.00 H new ATOM 0 HB3 HIS A 43 22.191 20.009 -6.274 1.00 0.00 H new ATOM 0 HD1 HIS A 43 25.635 21.583 -5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 43 22.455 21.482 -8.569 1.00 0.00 H new ATOM 0 HE1 HIS A 43 26.456 22.700 -7.983 1.00 0.00 H new ATOM 657 N PRO A 44 21.418 23.794 -6.868 1.00 0.00 N ATOM 658 CA PRO A 44 20.568 24.567 -7.772 1.00 0.00 C ATOM 659 C PRO A 44 20.556 24.030 -9.205 1.00 0.00 C ATOM 660 O PRO A 44 19.491 23.910 -9.792 1.00 0.00 O ATOM 661 CB PRO A 44 21.109 25.998 -7.700 1.00 0.00 C ATOM 662 CG PRO A 44 22.595 25.808 -7.388 1.00 0.00 C ATOM 663 CD PRO A 44 22.630 24.535 -6.541 1.00 0.00 C ATOM 0 HA PRO A 44 19.523 24.505 -7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 44 20.962 26.530 -8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 44 20.608 26.577 -6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 44 23.184 25.699 -8.299 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.002 26.661 -6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 44 23.519 23.944 -6.763 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.664 24.776 -5.478 1.00 0.00 H new ATOM 671 N THR A 45 21.679 23.628 -9.790 1.00 0.00 N ATOM 672 CA THR A 45 21.718 23.106 -11.161 1.00 0.00 C ATOM 673 C THR A 45 20.895 21.810 -11.322 1.00 0.00 C ATOM 674 O THR A 45 20.479 21.454 -12.426 1.00 0.00 O ATOM 675 CB THR A 45 23.198 22.866 -11.513 1.00 0.00 C ATOM 676 OG1 THR A 45 24.012 23.946 -11.087 1.00 0.00 O ATOM 677 CG2 THR A 45 23.511 22.574 -12.973 1.00 0.00 C ATOM 0 H THR A 45 22.590 23.653 -9.332 1.00 0.00 H new ATOM 0 HA THR A 45 21.265 23.828 -11.840 1.00 0.00 H new ATOM 0 HB THR A 45 23.427 21.950 -10.969 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.382 23.747 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.584 22.424 -13.092 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.982 21.674 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 45 23.192 23.415 -13.589 1.00 0.00 H new ATOM 685 N ALA A 46 20.591 21.128 -10.212 1.00 0.00 N ATOM 686 CA ALA A 46 19.684 19.994 -10.178 1.00 0.00 C ATOM 687 C ALA A 46 18.321 20.390 -10.736 1.00 0.00 C ATOM 688 O ALA A 46 17.690 19.617 -11.455 1.00 0.00 O ATOM 689 CB ALA A 46 19.504 19.588 -8.720 1.00 0.00 C ATOM 0 H ALA A 46 20.981 21.360 -9.298 1.00 0.00 H new ATOM 0 HA ALA A 46 20.092 19.179 -10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.826 18.736 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.470 19.313 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.087 20.424 -8.158 1.00 0.00 H new ATOM 695 N ILE A 47 17.878 21.610 -10.412 1.00 0.00 N ATOM 696 CA ILE A 47 16.621 22.149 -10.855 1.00 0.00 C ATOM 697 C ILE A 47 16.617 22.097 -12.383 1.00 0.00 C ATOM 698 O ILE A 47 15.669 21.599 -12.981 1.00 0.00 O ATOM 699 CB ILE A 47 16.492 23.596 -10.338 1.00 0.00 C ATOM 700 CG1 ILE A 47 16.507 23.668 -8.791 1.00 0.00 C ATOM 701 CG2 ILE A 47 15.241 24.250 -10.917 1.00 0.00 C ATOM 702 CD1 ILE A 47 16.840 25.069 -8.267 1.00 0.00 C ATOM 0 H ILE A 47 18.407 22.251 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 47 15.774 21.580 -10.472 1.00 0.00 H new ATOM 0 HB ILE A 47 17.365 24.153 -10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.533 23.363 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.238 22.957 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.159 25.272 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.308 24.264 -12.005 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.361 23.683 -10.615 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.836 25.060 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 47 17.826 25.366 -8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 47 16.095 25.779 -8.627 1.00 0.00 H new ATOM 714 N ALA A 48 17.705 22.573 -12.998 1.00 0.00 N ATOM 715 CA ALA A 48 17.825 22.716 -14.431 1.00 0.00 C ATOM 716 C ALA A 48 17.696 21.372 -15.139 1.00 0.00 C ATOM 717 O ALA A 48 17.029 21.289 -16.163 1.00 0.00 O ATOM 718 CB ALA A 48 19.148 23.398 -14.784 1.00 0.00 C ATOM 0 H ALA A 48 18.538 22.873 -12.492 1.00 0.00 H new ATOM 0 HA ALA A 48 17.005 23.345 -14.779 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.227 23.500 -15.866 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.183 24.385 -14.323 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.978 22.795 -14.415 1.00 0.00 H new ATOM 724 N MET A 49 18.290 20.317 -14.580 1.00 0.00 N ATOM 725 CA MET A 49 18.173 18.958 -15.118 1.00 0.00 C ATOM 726 C MET A 49 16.722 18.499 -15.154 1.00 0.00 C ATOM 727 O MET A 49 16.215 17.969 -16.148 1.00 0.00 O ATOM 728 CB MET A 49 18.971 17.986 -14.243 1.00 0.00 C ATOM 729 CG MET A 49 20.461 18.150 -14.460 1.00 0.00 C ATOM 730 SD MET A 49 20.976 17.804 -16.167 1.00 0.00 S ATOM 731 CE MET A 49 21.841 19.350 -16.589 1.00 0.00 C ATOM 0 H MET A 49 18.867 20.379 -13.741 1.00 0.00 H new ATOM 0 HA MET A 49 18.565 18.968 -16.135 1.00 0.00 H new ATOM 0 HB2 MET A 49 18.733 18.158 -13.193 1.00 0.00 H new ATOM 0 HB3 MET A 49 18.678 16.962 -14.473 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.750 19.168 -14.199 1.00 0.00 H new ATOM 0 HG3 MET A 49 20.996 17.484 -13.783 1.00 0.00 H new ATOM 0 HE1 MET A 49 21.215 19.948 -17.251 1.00 0.00 H new ATOM 0 HE2 MET A 49 22.047 19.912 -15.678 1.00 0.00 H new ATOM 0 HE3 MET A 49 22.780 19.116 -17.091 1.00 0.00 H new ATOM 741 N MET A 50 16.040 18.701 -14.038 1.00 0.00 N ATOM 742 CA MET A 50 14.665 18.283 -13.908 1.00 0.00 C ATOM 743 C MET A 50 13.795 19.134 -14.820 1.00 0.00 C ATOM 744 O MET A 50 12.902 18.590 -15.462 1.00 0.00 O ATOM 745 CB MET A 50 14.276 18.310 -12.431 1.00 0.00 C ATOM 746 CG MET A 50 15.140 17.259 -11.709 1.00 0.00 C ATOM 747 SD MET A 50 14.291 16.332 -10.417 1.00 0.00 S ATOM 748 CE MET A 50 13.103 15.440 -11.419 1.00 0.00 C ATOM 0 H MET A 50 16.424 19.155 -13.209 1.00 0.00 H new ATOM 0 HA MET A 50 14.515 17.255 -14.237 1.00 0.00 H new ATOM 0 HB2 MET A 50 14.443 19.301 -12.008 1.00 0.00 H new ATOM 0 HB3 MET A 50 13.216 18.086 -12.309 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.523 16.555 -12.448 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.002 17.760 -11.269 1.00 0.00 H new ATOM 0 HE1 MET A 50 12.095 15.646 -11.058 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.189 15.760 -12.457 1.00 0.00 H new ATOM 0 HE3 MET A 50 13.301 14.370 -11.352 1.00 0.00 H new ATOM 758 N GLU A 51 14.125 20.411 -14.999 1.00 0.00 N ATOM 759 CA GLU A 51 13.485 21.269 -15.982 1.00 0.00 C ATOM 760 C GLU A 51 13.697 20.751 -17.408 1.00 0.00 C ATOM 761 O GLU A 51 12.817 20.945 -18.247 1.00 0.00 O ATOM 762 CB GLU A 51 14.002 22.706 -15.840 1.00 0.00 C ATOM 763 CG GLU A 51 13.321 23.469 -14.695 1.00 0.00 C ATOM 764 CD GLU A 51 13.702 24.962 -14.701 1.00 0.00 C ATOM 765 OE1 GLU A 51 14.899 25.302 -14.573 1.00 0.00 O ATOM 766 OE2 GLU A 51 12.796 25.817 -14.837 1.00 0.00 O ATOM 0 H GLU A 51 14.852 20.880 -14.458 1.00 0.00 H new ATOM 0 HA GLU A 51 12.412 21.259 -15.792 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.078 22.685 -15.668 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.839 23.241 -16.776 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.239 23.369 -14.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.605 23.024 -13.741 1.00 0.00 H new ATOM 773 N GLU A 52 14.805 20.054 -17.692 1.00 0.00 N ATOM 774 CA GLU A 52 15.008 19.420 -18.993 1.00 0.00 C ATOM 775 C GLU A 52 13.980 18.307 -19.213 1.00 0.00 C ATOM 776 O GLU A 52 13.499 18.129 -20.334 1.00 0.00 O ATOM 777 CB GLU A 52 16.432 18.873 -19.223 1.00 0.00 C ATOM 778 CG GLU A 52 17.551 19.882 -18.927 1.00 0.00 C ATOM 779 CD GLU A 52 18.815 19.664 -19.773 1.00 0.00 C ATOM 780 OE1 GLU A 52 19.597 18.725 -19.497 1.00 0.00 O ATOM 781 OE2 GLU A 52 19.060 20.453 -20.713 1.00 0.00 O ATOM 0 H GLU A 52 15.573 19.917 -17.035 1.00 0.00 H new ATOM 0 HA GLU A 52 14.870 20.215 -19.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.577 17.993 -18.596 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.520 18.544 -20.259 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.176 20.890 -19.103 1.00 0.00 H new ATOM 0 HG3 GLU A 52 17.815 19.820 -17.871 1.00 0.00 H new ATOM 788 N VAL A 53 13.613 17.582 -18.150 1.00 0.00 N ATOM 789 CA VAL A 53 12.561 16.559 -18.235 1.00 0.00 C ATOM 790 C VAL A 53 11.162 17.203 -18.216 1.00 0.00 C ATOM 791 O VAL A 53 10.217 16.637 -18.769 1.00 0.00 O ATOM 792 CB VAL A 53 12.736 15.517 -17.108 1.00 0.00 C ATOM 793 CG1 VAL A 53 11.797 14.310 -17.259 1.00 0.00 C ATOM 794 CG2 VAL A 53 14.172 14.976 -17.092 1.00 0.00 C ATOM 0 H VAL A 53 14.027 17.683 -17.223 1.00 0.00 H new ATOM 0 HA VAL A 53 12.655 16.036 -19.187 1.00 0.00 H new ATOM 0 HB VAL A 53 12.497 16.042 -16.183 1.00 0.00 H new ATOM 0 HG11 VAL A 53 11.966 13.613 -16.439 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.762 14.650 -17.239 1.00 0.00 H new ATOM 0 HG13 VAL A 53 11.996 13.810 -18.207 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.276 14.243 -16.292 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.393 14.502 -18.048 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.868 15.798 -16.925 1.00 0.00 H new ATOM 804 N GLY A 54 11.022 18.393 -17.623 1.00 0.00 N ATOM 805 CA GLY A 54 9.745 19.073 -17.423 1.00 0.00 C ATOM 806 C GLY A 54 9.238 18.915 -15.986 1.00 0.00 C ATOM 807 O GLY A 54 8.027 18.914 -15.760 1.00 0.00 O ATOM 0 H GLY A 54 11.816 18.921 -17.261 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.856 20.132 -17.655 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.006 18.671 -18.116 1.00 0.00 H new ATOM 811 N ILE A 55 10.152 18.749 -15.025 1.00 0.00 N ATOM 812 CA ILE A 55 9.880 18.632 -13.592 1.00 0.00 C ATOM 813 C ILE A 55 10.664 19.771 -12.895 1.00 0.00 C ATOM 814 O ILE A 55 11.300 20.590 -13.560 1.00 0.00 O ATOM 815 CB ILE A 55 10.244 17.197 -13.118 1.00 0.00 C ATOM 816 CG1 ILE A 55 9.661 16.070 -14.013 1.00 0.00 C ATOM 817 CG2 ILE A 55 9.787 16.915 -11.668 1.00 0.00 C ATOM 818 CD1 ILE A 55 10.552 14.829 -13.974 1.00 0.00 C ATOM 0 H ILE A 55 11.148 18.690 -15.237 1.00 0.00 H new ATOM 0 HA ILE A 55 8.827 18.754 -13.337 1.00 0.00 H new ATOM 0 HB ILE A 55 11.332 17.179 -13.186 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.657 15.813 -13.674 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.570 16.425 -15.039 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.067 15.899 -11.389 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.267 17.622 -10.991 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.705 17.025 -11.600 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.123 14.053 -14.608 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.548 15.085 -14.336 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.621 14.463 -12.950 1.00 0.00 H new ATOM 830 N ASP A 56 10.623 19.861 -11.566 1.00 0.00 N ATOM 831 CA ASP A 56 11.292 20.888 -10.765 1.00 0.00 C ATOM 832 C ASP A 56 11.727 20.285 -9.426 1.00 0.00 C ATOM 833 O ASP A 56 11.136 19.298 -8.979 1.00 0.00 O ATOM 834 CB ASP A 56 10.316 22.050 -10.512 1.00 0.00 C ATOM 835 CG ASP A 56 10.877 23.037 -9.481 1.00 0.00 C ATOM 836 OD1 ASP A 56 11.997 23.547 -9.704 1.00 0.00 O ATOM 837 OD2 ASP A 56 10.250 23.230 -8.416 1.00 0.00 O ATOM 0 H ASP A 56 10.103 19.195 -10.995 1.00 0.00 H new ATOM 0 HA ASP A 56 12.168 21.257 -11.299 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.119 22.572 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.363 21.656 -10.160 1.00 0.00 H new ATOM 842 N ILE A 57 12.721 20.897 -8.772 1.00 0.00 N ATOM 843 CA ILE A 57 13.110 20.584 -7.396 1.00 0.00 C ATOM 844 C ILE A 57 13.181 21.838 -6.510 1.00 0.00 C ATOM 845 O ILE A 57 13.132 21.696 -5.291 1.00 0.00 O ATOM 846 CB ILE A 57 14.420 19.769 -7.298 1.00 0.00 C ATOM 847 CG1 ILE A 57 14.923 19.134 -8.600 1.00 0.00 C ATOM 848 CG2 ILE A 57 14.246 18.676 -6.230 1.00 0.00 C ATOM 849 CD1 ILE A 57 16.248 18.405 -8.384 1.00 0.00 C ATOM 0 H ILE A 57 13.285 21.635 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 57 12.313 19.946 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 57 15.189 20.495 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.178 18.434 -8.978 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.049 19.906 -9.359 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.164 18.094 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.027 19.139 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.423 18.019 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 57 16.579 17.965 -9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.999 19.112 -8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 57 16.113 17.617 -7.643 1.00 0.00 H new ATOM 861 N SER A 58 13.243 23.046 -7.079 1.00 0.00 N ATOM 862 CA SER A 58 13.180 24.321 -6.351 1.00 0.00 C ATOM 863 C SER A 58 12.069 24.345 -5.286 1.00 0.00 C ATOM 864 O SER A 58 12.245 24.917 -4.209 1.00 0.00 O ATOM 865 CB SER A 58 12.902 25.480 -7.322 1.00 0.00 C ATOM 866 OG SER A 58 13.494 25.292 -8.582 1.00 0.00 O ATOM 0 H SER A 58 13.341 23.169 -8.087 1.00 0.00 H new ATOM 0 HA SER A 58 14.148 24.431 -5.861 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.825 25.593 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.272 26.408 -6.887 1.00 0.00 H new ATOM 0 HG SER A 58 12.892 24.768 -9.151 1.00 0.00 H new ATOM 872 N GLY A 59 10.919 23.736 -5.603 1.00 0.00 N ATOM 873 CA GLY A 59 9.709 23.774 -4.793 1.00 0.00 C ATOM 874 C GLY A 59 9.731 22.819 -3.597 1.00 0.00 C ATOM 875 O GLY A 59 8.795 22.850 -2.794 1.00 0.00 O ATOM 0 H GLY A 59 10.809 23.189 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.558 24.791 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.854 23.531 -5.424 1.00 0.00 H new ATOM 879 N GLN A 60 10.766 21.984 -3.455 1.00 0.00 N ATOM 880 CA GLN A 60 10.937 21.038 -2.370 1.00 0.00 C ATOM 881 C GLN A 60 12.317 21.195 -1.723 1.00 0.00 C ATOM 882 O GLN A 60 13.169 21.935 -2.219 1.00 0.00 O ATOM 883 CB GLN A 60 10.653 19.621 -2.891 1.00 0.00 C ATOM 884 CG GLN A 60 11.655 19.053 -3.911 1.00 0.00 C ATOM 885 CD GLN A 60 11.361 17.587 -4.241 1.00 0.00 C ATOM 886 OE1 GLN A 60 10.210 17.183 -4.399 1.00 0.00 O ATOM 887 NE2 GLN A 60 12.383 16.750 -4.335 1.00 0.00 N ATOM 0 H GLN A 60 11.534 21.955 -4.126 1.00 0.00 H new ATOM 0 HA GLN A 60 10.221 21.238 -1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.614 18.945 -2.037 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.663 19.617 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.619 19.646 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.667 19.141 -3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.335 17.091 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.218 15.764 -4.539 1.00 0.00 H new ATOM 896 N THR A 61 12.536 20.504 -0.607 1.00 0.00 N ATOM 897 CA THR A 61 13.716 20.671 0.230 1.00 0.00 C ATOM 898 C THR A 61 14.454 19.346 0.419 1.00 0.00 C ATOM 899 O THR A 61 13.940 18.261 0.122 1.00 0.00 O ATOM 900 CB THR A 61 13.295 21.311 1.569 1.00 0.00 C ATOM 901 OG1 THR A 61 12.186 20.640 2.148 1.00 0.00 O ATOM 902 CG2 THR A 61 12.875 22.767 1.351 1.00 0.00 C ATOM 0 H THR A 61 11.886 19.801 -0.255 1.00 0.00 H new ATOM 0 HA THR A 61 14.424 21.339 -0.261 1.00 0.00 H new ATOM 0 HB THR A 61 14.157 21.241 2.233 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.948 21.072 2.995 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.580 23.207 2.304 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.712 23.329 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.034 22.803 0.659 1.00 0.00 H new ATOM 910 N SER A 62 15.691 19.457 0.888 1.00 0.00 N ATOM 911 CA SER A 62 16.553 18.361 1.285 1.00 0.00 C ATOM 912 C SER A 62 16.107 17.774 2.631 1.00 0.00 C ATOM 913 O SER A 62 15.290 18.372 3.340 1.00 0.00 O ATOM 914 CB SER A 62 17.982 18.914 1.344 1.00 0.00 C ATOM 915 OG SER A 62 18.035 20.280 1.727 1.00 0.00 O ATOM 0 H SER A 62 16.140 20.365 1.006 1.00 0.00 H new ATOM 0 HA SER A 62 16.501 17.541 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.565 18.322 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 62 18.451 18.798 0.367 1.00 0.00 H new ATOM 0 HG SER A 62 18.970 20.559 1.816 1.00 0.00 H new ATOM 921 N ASP A 63 16.651 16.613 3.008 1.00 0.00 N ATOM 922 CA ASP A 63 16.320 15.934 4.264 1.00 0.00 C ATOM 923 C ASP A 63 17.493 15.044 4.697 1.00 0.00 C ATOM 924 O ASP A 63 18.158 14.471 3.829 1.00 0.00 O ATOM 925 CB ASP A 63 15.061 15.061 4.080 1.00 0.00 C ATOM 926 CG ASP A 63 13.847 15.639 4.821 1.00 0.00 C ATOM 927 OD1 ASP A 63 13.858 15.644 6.071 1.00 0.00 O ATOM 928 OD2 ASP A 63 12.864 16.048 4.162 1.00 0.00 O ATOM 0 H ASP A 63 17.340 16.114 2.445 1.00 0.00 H new ATOM 0 HA ASP A 63 16.128 16.686 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.831 14.976 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.262 14.053 4.444 1.00 0.00 H new ATOM 933 N PRO A 64 17.782 14.907 6.004 1.00 0.00 N ATOM 934 CA PRO A 64 18.729 13.921 6.510 1.00 0.00 C ATOM 935 C PRO A 64 18.024 12.577 6.743 1.00 0.00 C ATOM 936 O PRO A 64 16.836 12.528 7.074 1.00 0.00 O ATOM 937 CB PRO A 64 19.228 14.509 7.832 1.00 0.00 C ATOM 938 CG PRO A 64 18.007 15.261 8.363 1.00 0.00 C ATOM 939 CD PRO A 64 17.294 15.741 7.095 1.00 0.00 C ATOM 0 HA PRO A 64 19.545 13.728 5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.553 13.730 8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 64 20.077 15.175 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.367 14.613 8.961 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.297 16.097 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 64 16.213 15.649 7.200 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.508 16.793 6.905 1.00 0.00 H new ATOM 947 N ILE A 65 18.792 11.486 6.660 1.00 0.00 N ATOM 948 CA ILE A 65 18.320 10.135 6.987 1.00 0.00 C ATOM 949 C ILE A 65 17.714 10.077 8.399 1.00 0.00 C ATOM 950 O ILE A 65 16.741 9.362 8.639 1.00 0.00 O ATOM 951 CB ILE A 65 19.462 9.125 6.760 1.00 0.00 C ATOM 952 CG1 ILE A 65 18.896 7.694 6.848 1.00 0.00 C ATOM 953 CG2 ILE A 65 20.669 9.327 7.700 1.00 0.00 C ATOM 954 CD1 ILE A 65 19.854 6.665 6.258 1.00 0.00 C ATOM 0 H ILE A 65 19.767 11.515 6.362 1.00 0.00 H new ATOM 0 HA ILE A 65 17.505 9.858 6.318 1.00 0.00 H new ATOM 0 HB ILE A 65 19.862 9.300 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 65 18.695 7.447 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.944 7.647 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 65 21.431 8.579 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 65 21.084 10.323 7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 65 20.345 9.221 8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.416 5.670 6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 65 20.034 6.896 5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 65 20.798 6.692 6.803 1.00 0.00 H new ATOM 966 N GLU A 66 18.261 10.885 9.314 1.00 0.00 N ATOM 967 CA GLU A 66 17.889 10.950 10.721 1.00 0.00 C ATOM 968 C GLU A 66 16.404 11.292 10.923 1.00 0.00 C ATOM 969 O GLU A 66 15.840 10.968 11.970 1.00 0.00 O ATOM 970 CB GLU A 66 18.760 12.003 11.434 1.00 0.00 C ATOM 971 CG GLU A 66 20.271 11.849 11.189 1.00 0.00 C ATOM 972 CD GLU A 66 21.088 12.735 12.147 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.305 13.931 11.846 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.537 12.241 13.207 1.00 0.00 O ATOM 0 H GLU A 66 19.008 11.538 9.078 1.00 0.00 H new ATOM 0 HA GLU A 66 18.056 9.961 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.450 12.995 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.571 11.948 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.558 10.806 11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.503 12.115 10.158 1.00 0.00 H new ATOM 981 N ASN A 67 15.768 11.955 9.947 1.00 0.00 N ATOM 982 CA ASN A 67 14.388 12.415 10.064 1.00 0.00 C ATOM 983 C ASN A 67 13.367 11.291 9.804 1.00 0.00 C ATOM 984 O ASN A 67 12.170 11.503 10.002 1.00 0.00 O ATOM 985 CB ASN A 67 14.185 13.610 9.119 1.00 0.00 C ATOM 986 CG ASN A 67 12.876 14.361 9.355 1.00 0.00 C ATOM 987 OD1 ASN A 67 12.333 14.406 10.457 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.369 15.024 8.333 1.00 0.00 N ATOM 0 H ASN A 67 16.203 12.185 9.053 1.00 0.00 H new ATOM 0 HA ASN A 67 14.209 12.733 11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.018 14.303 9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 67 14.210 13.256 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.521 15.578 8.455 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.825 14.982 7.421 1.00 0.00 H new ATOM 995 N PHE A 68 13.800 10.093 9.383 1.00 0.00 N ATOM 996 CA PHE A 68 12.921 8.992 9.010 1.00 0.00 C ATOM 997 C PHE A 68 13.333 7.686 9.698 1.00 0.00 C ATOM 998 O PHE A 68 14.262 7.645 10.508 1.00 0.00 O ATOM 999 CB PHE A 68 12.939 8.856 7.483 1.00 0.00 C ATOM 1000 CG PHE A 68 12.357 10.049 6.760 1.00 0.00 C ATOM 1001 CD1 PHE A 68 13.175 11.140 6.414 1.00 0.00 C ATOM 1002 CD2 PHE A 68 10.982 10.078 6.469 1.00 0.00 C ATOM 1003 CE1 PHE A 68 12.606 12.274 5.812 1.00 0.00 C ATOM 1004 CE2 PHE A 68 10.412 11.219 5.876 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.224 12.323 5.557 1.00 0.00 C ATOM 0 H PHE A 68 14.790 9.866 9.293 1.00 0.00 H new ATOM 0 HA PHE A 68 11.906 9.205 9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.967 8.708 7.152 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.381 7.963 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.236 11.106 6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.363 9.224 6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.232 13.112 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.353 11.248 5.666 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.786 13.207 5.117 1.00 0.00 H new ATOM 1015 N ASN A 69 12.622 6.611 9.353 1.00 0.00 N ATOM 1016 CA ASN A 69 12.794 5.254 9.853 1.00 0.00 C ATOM 1017 C ASN A 69 12.724 4.294 8.670 1.00 0.00 C ATOM 1018 O ASN A 69 11.816 4.381 7.842 1.00 0.00 O ATOM 1019 CB ASN A 69 11.720 4.885 10.901 1.00 0.00 C ATOM 1020 CG ASN A 69 10.311 5.434 10.654 1.00 0.00 C ATOM 1021 OD1 ASN A 69 9.656 5.907 11.580 1.00 0.00 O ATOM 1022 ND2 ASN A 69 9.810 5.416 9.429 1.00 0.00 N ATOM 0 H ASN A 69 11.864 6.673 8.674 1.00 0.00 H new ATOM 0 HA ASN A 69 13.762 5.182 10.350 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.658 3.798 10.959 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.058 5.237 11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.880 5.795 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.354 5.023 8.661 1.00 0.00 H new ATOM 1029 N ALA A 70 13.661 3.352 8.627 1.00 0.00 N ATOM 1030 CA ALA A 70 13.818 2.383 7.551 1.00 0.00 C ATOM 1031 C ALA A 70 12.595 1.491 7.377 1.00 0.00 C ATOM 1032 O ALA A 70 12.314 1.068 6.261 1.00 0.00 O ATOM 1033 CB ALA A 70 15.030 1.496 7.859 1.00 0.00 C ATOM 0 H ALA A 70 14.355 3.240 9.366 1.00 0.00 H new ATOM 0 HA ALA A 70 13.953 2.942 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 70 15.159 0.765 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.924 2.115 7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 70 14.870 0.976 8.804 1.00 0.00 H new ATOM 1039 N ASP A 71 11.875 1.216 8.467 1.00 0.00 N ATOM 1040 CA ASP A 71 10.757 0.275 8.496 1.00 0.00 C ATOM 1041 C ASP A 71 9.624 0.690 7.553 1.00 0.00 C ATOM 1042 O ASP A 71 8.821 -0.148 7.139 1.00 0.00 O ATOM 1043 CB ASP A 71 10.233 0.160 9.932 1.00 0.00 C ATOM 1044 CG ASP A 71 9.052 -0.820 10.040 1.00 0.00 C ATOM 1045 OD1 ASP A 71 9.265 -2.047 9.910 1.00 0.00 O ATOM 1046 OD2 ASP A 71 7.914 -0.376 10.314 1.00 0.00 O ATOM 0 H ASP A 71 12.058 1.651 9.371 1.00 0.00 H new ATOM 0 HA ASP A 71 11.122 -0.692 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.039 -0.171 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.921 1.143 10.283 1.00 0.00 H new ATOM 1051 N ASP A 72 9.557 1.976 7.196 1.00 0.00 N ATOM 1052 CA ASP A 72 8.518 2.516 6.350 1.00 0.00 C ATOM 1053 C ASP A 72 8.848 2.282 4.879 1.00 0.00 C ATOM 1054 O ASP A 72 7.942 2.299 4.055 1.00 0.00 O ATOM 1055 CB ASP A 72 8.352 4.008 6.659 1.00 0.00 C ATOM 1056 CG ASP A 72 7.128 4.626 5.972 1.00 0.00 C ATOM 1057 OD1 ASP A 72 6.028 4.034 6.055 1.00 0.00 O ATOM 1058 OD2 ASP A 72 7.240 5.746 5.428 1.00 0.00 O ATOM 0 H ASP A 72 10.239 2.672 7.497 1.00 0.00 H new ATOM 0 HA ASP A 72 7.575 2.007 6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.264 4.143 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.248 4.542 6.343 1.00 0.00 H new ATOM 1063 N TYR A 73 10.113 2.020 4.530 1.00 0.00 N ATOM 1064 CA TYR A 73 10.593 1.987 3.167 1.00 0.00 C ATOM 1065 C TYR A 73 10.803 0.545 2.715 1.00 0.00 C ATOM 1066 O TYR A 73 11.516 -0.217 3.364 1.00 0.00 O ATOM 1067 CB TYR A 73 11.851 2.856 3.058 1.00 0.00 C ATOM 1068 CG TYR A 73 11.539 4.323 3.303 1.00 0.00 C ATOM 1069 CD1 TYR A 73 11.005 5.099 2.259 1.00 0.00 C ATOM 1070 CD2 TYR A 73 11.706 4.892 4.582 1.00 0.00 C ATOM 1071 CE1 TYR A 73 10.622 6.428 2.491 1.00 0.00 C ATOM 1072 CE2 TYR A 73 11.348 6.232 4.825 1.00 0.00 C ATOM 1073 CZ TYR A 73 10.783 6.997 3.776 1.00 0.00 C ATOM 1074 OH TYR A 73 10.408 8.282 3.998 1.00 0.00 O ATOM 0 H TYR A 73 10.841 1.821 5.216 1.00 0.00 H new ATOM 0 HA TYR A 73 9.853 2.407 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.593 2.515 3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.292 2.737 2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.889 4.670 1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.113 4.294 5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.204 7.017 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.502 6.671 5.800 1.00 0.00 H new ATOM 0 HH TYR A 73 10.753 8.578 4.866 1.00 0.00 H new ATOM 1084 N ASP A 74 10.171 0.164 1.600 1.00 0.00 N ATOM 1085 CA ASP A 74 10.367 -1.153 1.000 1.00 0.00 C ATOM 1086 C ASP A 74 11.741 -1.225 0.339 1.00 0.00 C ATOM 1087 O ASP A 74 12.430 -2.241 0.430 1.00 0.00 O ATOM 1088 CB ASP A 74 9.296 -1.416 -0.062 1.00 0.00 C ATOM 1089 CG ASP A 74 9.517 -2.790 -0.720 1.00 0.00 C ATOM 1090 OD1 ASP A 74 8.977 -3.792 -0.197 1.00 0.00 O ATOM 1091 OD2 ASP A 74 10.127 -2.845 -1.809 1.00 0.00 O ATOM 0 H ASP A 74 9.514 0.758 1.094 1.00 0.00 H new ATOM 0 HA ASP A 74 10.294 -1.904 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.307 -1.379 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.327 -0.634 -0.820 1.00 0.00 H new ATOM 1096 N VAL A 75 12.160 -0.127 -0.295 1.00 0.00 N ATOM 1097 CA VAL A 75 13.348 -0.129 -1.144 1.00 0.00 C ATOM 1098 C VAL A 75 14.241 1.054 -0.807 1.00 0.00 C ATOM 1099 O VAL A 75 13.765 2.186 -0.717 1.00 0.00 O ATOM 1100 CB VAL A 75 12.948 -0.254 -2.633 1.00 0.00 C ATOM 1101 CG1 VAL A 75 11.804 0.624 -3.135 1.00 0.00 C ATOM 1102 CG2 VAL A 75 14.149 -0.058 -3.574 1.00 0.00 C ATOM 0 H VAL A 75 11.690 0.776 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 75 13.959 -1.009 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 75 12.569 -1.276 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.634 0.430 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.897 0.396 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.062 1.674 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.820 -0.155 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 75 14.574 0.934 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 75 14.905 -0.814 -3.362 1.00 0.00 H new ATOM 1112 N VAL A 76 15.537 0.781 -0.631 1.00 0.00 N ATOM 1113 CA VAL A 76 16.526 1.777 -0.226 1.00 0.00 C ATOM 1114 C VAL A 76 17.654 1.797 -1.260 1.00 0.00 C ATOM 1115 O VAL A 76 18.472 0.883 -1.385 1.00 0.00 O ATOM 1116 CB VAL A 76 17.008 1.517 1.215 1.00 0.00 C ATOM 1117 CG1 VAL A 76 18.076 2.517 1.679 1.00 0.00 C ATOM 1118 CG2 VAL A 76 15.845 1.511 2.225 1.00 0.00 C ATOM 0 H VAL A 76 15.931 -0.150 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 76 16.083 2.773 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 76 17.460 0.525 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 76 18.375 2.282 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.944 2.453 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.668 3.527 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 76 16.233 1.324 3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.341 2.478 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.136 0.727 1.959 1.00 0.00 H new ATOM 1128 N ILE A 77 17.692 2.880 -2.019 1.00 0.00 N ATOM 1129 CA ILE A 77 18.699 3.137 -3.016 1.00 0.00 C ATOM 1130 C ILE A 77 19.707 4.080 -2.399 1.00 0.00 C ATOM 1131 O ILE A 77 19.504 5.292 -2.348 1.00 0.00 O ATOM 1132 CB ILE A 77 18.044 3.710 -4.284 1.00 0.00 C ATOM 1133 CG1 ILE A 77 17.036 2.730 -4.918 1.00 0.00 C ATOM 1134 CG2 ILE A 77 19.107 4.122 -5.308 1.00 0.00 C ATOM 1135 CD1 ILE A 77 17.576 1.319 -5.184 1.00 0.00 C ATOM 0 H ILE A 77 16.997 3.624 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 77 19.210 2.225 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 77 17.486 4.595 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.168 2.652 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.687 3.152 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.620 4.524 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.755 4.883 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.703 3.252 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.792 0.707 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.424 1.377 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.897 0.869 -4.244 1.00 0.00 H new ATOM 1147 N SER A 78 20.770 3.528 -1.842 1.00 0.00 N ATOM 1148 CA SER A 78 21.868 4.400 -1.501 1.00 0.00 C ATOM 1149 C SER A 78 22.501 4.839 -2.825 1.00 0.00 C ATOM 1150 O SER A 78 22.324 4.242 -3.892 1.00 0.00 O ATOM 1151 CB SER A 78 22.862 3.711 -0.584 1.00 0.00 C ATOM 1152 OG SER A 78 22.242 3.570 0.674 1.00 0.00 O ATOM 0 H SER A 78 20.892 2.538 -1.628 1.00 0.00 H new ATOM 0 HA SER A 78 21.522 5.269 -0.942 1.00 0.00 H new ATOM 0 HB2 SER A 78 23.144 2.737 -0.985 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.777 4.298 -0.498 1.00 0.00 H new ATOM 0 HG SER A 78 22.672 4.168 1.320 1.00 0.00 H new ATOM 1158 N LEU A 79 23.192 5.957 -2.756 1.00 0.00 N ATOM 1159 CA LEU A 79 23.950 6.573 -3.817 1.00 0.00 C ATOM 1160 C LEU A 79 25.019 7.376 -3.080 1.00 0.00 C ATOM 1161 O LEU A 79 25.170 8.585 -3.251 1.00 0.00 O ATOM 1162 CB LEU A 79 23.069 7.331 -4.848 1.00 0.00 C ATOM 1163 CG LEU A 79 21.569 7.568 -4.553 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.405 8.793 -3.670 1.00 0.00 C ATOM 1165 CD2 LEU A 79 20.765 7.765 -5.843 1.00 0.00 C ATOM 0 H LEU A 79 23.240 6.496 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 79 24.426 5.861 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.526 8.307 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 79 23.133 6.788 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 79 21.188 6.684 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.347 8.955 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.936 8.638 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.814 9.666 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.716 7.929 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.150 8.630 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.856 6.877 -6.468 1.00 0.00 H new ATOM 1177 N CYS A 80 25.709 6.704 -2.155 1.00 0.00 N ATOM 1178 CA CYS A 80 26.905 7.225 -1.512 1.00 0.00 C ATOM 1179 C CYS A 80 28.033 7.195 -2.549 1.00 0.00 C ATOM 1180 O CYS A 80 28.883 8.085 -2.563 1.00 0.00 O ATOM 1181 CB CYS A 80 27.240 6.394 -0.269 1.00 0.00 C ATOM 1182 SG CYS A 80 25.840 6.390 0.894 1.00 0.00 S ATOM 0 H CYS A 80 25.445 5.773 -1.832 1.00 0.00 H new ATOM 0 HA CYS A 80 26.758 8.249 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 80 27.480 5.372 -0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 80 28.125 6.801 0.220 1.00 0.00 H new ATOM 0 HG CYS A 80 26.145 5.678 1.938 1.00 0.00 H new ATOM 1188 N GLY A 81 28.013 6.210 -3.451 1.00 0.00 N ATOM 1189 CA GLY A 81 28.841 6.136 -4.644 1.00 0.00 C ATOM 1190 C GLY A 81 30.238 5.589 -4.401 1.00 0.00 C ATOM 1191 O GLY A 81 30.683 4.728 -5.158 1.00 0.00 O ATOM 0 H GLY A 81 27.388 5.409 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.341 5.508 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.924 7.133 -5.077 1.00 0.00 H new ATOM 1195 N CYS A 82 30.909 6.009 -3.326 1.00 0.00 N ATOM 1196 CA CYS A 82 32.263 5.569 -2.975 1.00 0.00 C ATOM 1197 C CYS A 82 32.300 4.136 -2.407 1.00 0.00 C ATOM 1198 O CYS A 82 33.186 3.790 -1.623 1.00 0.00 O ATOM 1199 CB CYS A 82 32.878 6.582 -1.991 1.00 0.00 C ATOM 1200 SG CYS A 82 32.740 8.286 -2.617 1.00 0.00 S ATOM 0 H CYS A 82 30.519 6.678 -2.662 1.00 0.00 H new ATOM 0 HA CYS A 82 32.858 5.535 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 82 32.376 6.505 -1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 82 33.927 6.338 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 82 33.267 9.108 -1.759 1.00 0.00 H new ATOM 1206 N GLY A 83 31.294 3.327 -2.739 1.00 0.00 N ATOM 1207 CA GLY A 83 31.009 2.014 -2.173 1.00 0.00 C ATOM 1208 C GLY A 83 30.752 2.042 -0.664 1.00 0.00 C ATOM 1209 O GLY A 83 30.822 1.005 -0.002 1.00 0.00 O ATOM 0 H GLY A 83 30.616 3.590 -3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 83 30.138 1.592 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 83 31.848 1.349 -2.378 1.00 0.00 H new ATOM 1213 N VAL A 84 30.463 3.224 -0.117 1.00 0.00 N ATOM 1214 CA VAL A 84 29.990 3.416 1.238 1.00 0.00 C ATOM 1215 C VAL A 84 28.563 2.859 1.305 1.00 0.00 C ATOM 1216 O VAL A 84 27.846 2.795 0.302 1.00 0.00 O ATOM 1217 CB VAL A 84 30.142 4.901 1.617 1.00 0.00 C ATOM 1218 CG1 VAL A 84 29.438 5.320 2.915 1.00 0.00 C ATOM 1219 CG2 VAL A 84 31.630 5.275 1.734 1.00 0.00 C ATOM 0 H VAL A 84 30.558 4.100 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 84 30.573 2.875 1.984 1.00 0.00 H new ATOM 0 HB VAL A 84 29.650 5.439 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 84 29.605 6.382 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 84 28.368 5.131 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 84 29.840 4.745 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 84 31.721 6.328 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 84 32.100 4.663 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 84 32.125 5.100 0.779 1.00 0.00 H new ATOM 1229 N ASN A 85 28.171 2.426 2.498 1.00 0.00 N ATOM 1230 CA ASN A 85 26.918 1.731 2.763 1.00 0.00 C ATOM 1231 C ASN A 85 26.364 2.215 4.104 1.00 0.00 C ATOM 1232 O ASN A 85 26.981 3.054 4.765 1.00 0.00 O ATOM 1233 CB ASN A 85 27.169 0.210 2.736 1.00 0.00 C ATOM 1234 CG ASN A 85 25.952 -0.558 2.235 1.00 0.00 C ATOM 1235 OD1 ASN A 85 24.856 -0.421 2.761 1.00 0.00 O ATOM 1236 ND2 ASN A 85 26.105 -1.359 1.195 1.00 0.00 N ATOM 0 H ASN A 85 28.738 2.554 3.336 1.00 0.00 H new ATOM 0 HA ASN A 85 26.172 1.949 1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 85 28.024 -0.006 2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 85 27.428 -0.133 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 85 25.305 -1.870 0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 85 27.023 -1.466 0.764 1.00 0.00 H new ATOM 1243 N LEU A 86 25.203 1.705 4.507 1.00 0.00 N ATOM 1244 CA LEU A 86 24.434 2.181 5.644 1.00 0.00 C ATOM 1245 C LEU A 86 24.505 1.111 6.739 1.00 0.00 C ATOM 1246 O LEU A 86 23.923 0.043 6.560 1.00 0.00 O ATOM 1247 CB LEU A 86 22.974 2.446 5.215 1.00 0.00 C ATOM 1248 CG LEU A 86 22.784 3.407 4.021 1.00 0.00 C ATOM 1249 CD1 LEU A 86 21.287 3.654 3.812 1.00 0.00 C ATOM 1250 CD2 LEU A 86 23.494 4.749 4.215 1.00 0.00 C ATOM 0 H LEU A 86 24.759 0.920 4.030 1.00 0.00 H new ATOM 0 HA LEU A 86 24.840 3.119 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.511 1.492 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.432 2.849 6.070 1.00 0.00 H new ATOM 0 HG LEU A 86 23.231 2.931 3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.144 4.332 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.788 2.708 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.862 4.099 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 86 23.323 5.380 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 86 23.101 5.243 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 86 24.564 4.580 4.337 1.00 0.00 H new ATOM 1262 N PRO A 87 25.213 1.344 7.859 1.00 0.00 N ATOM 1263 CA PRO A 87 25.143 0.468 9.023 1.00 0.00 C ATOM 1264 C PRO A 87 23.712 0.168 9.525 1.00 0.00 C ATOM 1265 O PRO A 87 23.474 -0.988 9.890 1.00 0.00 O ATOM 1266 CB PRO A 87 25.997 1.137 10.108 1.00 0.00 C ATOM 1267 CG PRO A 87 26.965 2.013 9.317 1.00 0.00 C ATOM 1268 CD PRO A 87 26.147 2.434 8.099 1.00 0.00 C ATOM 0 HA PRO A 87 25.519 -0.518 8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 87 25.387 1.729 10.790 1.00 0.00 H new ATOM 0 HB3 PRO A 87 26.526 0.400 10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 87 27.293 2.875 9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 87 27.861 1.463 9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 87 25.619 3.369 8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 87 26.789 2.598 7.233 1.00 0.00 H new ATOM 1276 N PRO A 88 22.765 1.136 9.598 1.00 0.00 N ATOM 1277 CA PRO A 88 21.441 0.879 10.170 1.00 0.00 C ATOM 1278 C PRO A 88 20.518 0.058 9.255 1.00 0.00 C ATOM 1279 O PRO A 88 20.860 -0.284 8.124 1.00 0.00 O ATOM 1280 CB PRO A 88 20.868 2.265 10.504 1.00 0.00 C ATOM 1281 CG PRO A 88 21.545 3.180 9.491 1.00 0.00 C ATOM 1282 CD PRO A 88 22.924 2.573 9.363 1.00 0.00 C ATOM 0 HA PRO A 88 21.521 0.251 11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 88 19.783 2.286 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 88 21.098 2.559 11.528 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.017 3.189 8.538 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.588 4.211 9.842 1.00 0.00 H new ATOM 0 HD2 PRO A 88 23.341 2.761 8.374 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.610 3.012 10.087 1.00 0.00 H new ATOM 1290 N GLU A 89 19.302 -0.212 9.749 1.00 0.00 N ATOM 1291 CA GLU A 89 18.274 -1.092 9.176 1.00 0.00 C ATOM 1292 C GLU A 89 17.870 -0.721 7.746 1.00 0.00 C ATOM 1293 O GLU A 89 17.197 -1.487 7.058 1.00 0.00 O ATOM 1294 CB GLU A 89 17.000 -1.043 10.038 1.00 0.00 C ATOM 1295 CG GLU A 89 17.177 -1.347 11.527 1.00 0.00 C ATOM 1296 CD GLU A 89 17.669 -2.782 11.798 1.00 0.00 C ATOM 1297 OE1 GLU A 89 16.831 -3.705 11.910 1.00 0.00 O ATOM 1298 OE2 GLU A 89 18.893 -2.991 11.952 1.00 0.00 O ATOM 0 H GLU A 89 18.988 0.210 10.623 1.00 0.00 H new ATOM 0 HA GLU A 89 18.721 -2.086 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.560 -0.051 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.281 -1.752 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.888 -0.639 11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.227 -1.193 12.038 1.00 0.00 H new ATOM 1305 N TRP A 90 18.258 0.458 7.276 1.00 0.00 N ATOM 1306 CA TRP A 90 18.084 0.880 5.903 1.00 0.00 C ATOM 1307 C TRP A 90 18.716 -0.103 4.916 1.00 0.00 C ATOM 1308 O TRP A 90 18.233 -0.207 3.791 1.00 0.00 O ATOM 1309 CB TRP A 90 18.680 2.278 5.766 1.00 0.00 C ATOM 1310 CG TRP A 90 18.005 3.324 6.592 1.00 0.00 C ATOM 1311 CD1 TRP A 90 18.309 3.668 7.860 1.00 0.00 C ATOM 1312 CD2 TRP A 90 16.864 4.152 6.236 1.00 0.00 C ATOM 1313 NE1 TRP A 90 17.519 4.710 8.278 1.00 0.00 N ATOM 1314 CE2 TRP A 90 16.581 5.037 7.321 1.00 0.00 C ATOM 1315 CE3 TRP A 90 16.029 4.221 5.105 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 15.542 5.974 7.265 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 14.960 5.128 5.056 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.722 6.008 6.125 1.00 0.00 C ATOM 0 H TRP A 90 18.713 1.161 7.859 1.00 0.00 H new ATOM 0 HA TRP A 90 17.022 0.901 5.657 1.00 0.00 H new ATOM 0 HB2 TRP A 90 19.734 2.239 6.043 1.00 0.00 H new ATOM 0 HB3 TRP A 90 18.637 2.576 4.719 1.00 0.00 H new ATOM 0 HD1 TRP A 90 19.068 3.191 8.462 1.00 0.00 H new ATOM 0 HE1 TRP A 90 17.613 5.181 9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 90 16.214 3.568 4.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.374 6.658 8.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 14.315 5.150 4.190 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.906 6.713 6.070 1.00 0.00 H new ATOM 1329 N VAL A 91 19.749 -0.860 5.307 1.00 0.00 N ATOM 1330 CA VAL A 91 20.366 -1.811 4.398 1.00 0.00 C ATOM 1331 C VAL A 91 19.587 -3.135 4.401 1.00 0.00 C ATOM 1332 O VAL A 91 19.736 -3.931 3.474 1.00 0.00 O ATOM 1333 CB VAL A 91 21.872 -1.952 4.720 1.00 0.00 C ATOM 1334 CG1 VAL A 91 22.167 -2.696 6.033 1.00 0.00 C ATOM 1335 CG2 VAL A 91 22.651 -2.632 3.586 1.00 0.00 C ATOM 0 H VAL A 91 20.165 -0.828 6.238 1.00 0.00 H new ATOM 0 HA VAL A 91 20.314 -1.445 3.373 1.00 0.00 H new ATOM 0 HB VAL A 91 22.210 -0.922 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 91 23.245 -2.752 6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.710 -2.160 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.755 -3.704 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.703 -2.707 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.248 -3.631 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 91 22.556 -2.042 2.674 1.00 0.00 H new ATOM 1345 N THR A 92 18.728 -3.373 5.403 1.00 0.00 N ATOM 1346 CA THR A 92 18.093 -4.665 5.634 1.00 0.00 C ATOM 1347 C THR A 92 16.616 -4.677 5.213 1.00 0.00 C ATOM 1348 O THR A 92 15.851 -5.565 5.600 1.00 0.00 O ATOM 1349 CB THR A 92 18.344 -5.118 7.089 1.00 0.00 C ATOM 1350 OG1 THR A 92 17.864 -4.174 8.024 1.00 0.00 O ATOM 1351 CG2 THR A 92 19.835 -5.291 7.393 1.00 0.00 C ATOM 0 H THR A 92 18.456 -2.660 6.080 1.00 0.00 H new ATOM 0 HA THR A 92 18.556 -5.409 4.986 1.00 0.00 H new ATOM 0 HB THR A 92 17.817 -6.068 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.534 -3.382 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.961 -5.610 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.257 -6.044 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.350 -4.342 7.241 1.00 0.00 H new ATOM 1359 N GLN A 93 16.215 -3.688 4.415 1.00 0.00 N ATOM 1360 CA GLN A 93 14.910 -3.654 3.765 1.00 0.00 C ATOM 1361 C GLN A 93 14.935 -4.569 2.531 1.00 0.00 C ATOM 1362 O GLN A 93 15.977 -5.128 2.176 1.00 0.00 O ATOM 1363 CB GLN A 93 14.514 -2.203 3.434 1.00 0.00 C ATOM 1364 CG GLN A 93 14.522 -1.277 4.666 1.00 0.00 C ATOM 1365 CD GLN A 93 13.759 -1.853 5.870 1.00 0.00 C ATOM 1366 OE1 GLN A 93 12.586 -2.211 5.796 1.00 0.00 O ATOM 1367 NE2 GLN A 93 14.422 -2.009 7.006 1.00 0.00 N ATOM 0 H GLN A 93 16.797 -2.878 4.200 1.00 0.00 H new ATOM 0 HA GLN A 93 14.141 -4.034 4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.200 -1.807 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.519 -2.197 2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.554 -1.083 4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.083 -0.318 4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.396 -1.714 7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.959 -2.425 7.814 1.00 0.00 H new ATOM 1376 N GLU A 94 13.779 -4.748 1.894 1.00 0.00 N ATOM 1377 CA GLU A 94 13.562 -5.739 0.844 1.00 0.00 C ATOM 1378 C GLU A 94 14.490 -5.564 -0.357 1.00 0.00 C ATOM 1379 O GLU A 94 14.893 -6.566 -0.953 1.00 0.00 O ATOM 1380 CB GLU A 94 12.093 -5.723 0.391 1.00 0.00 C ATOM 1381 CG GLU A 94 11.124 -6.411 1.370 1.00 0.00 C ATOM 1382 CD GLU A 94 11.070 -5.797 2.784 1.00 0.00 C ATOM 1383 OE1 GLU A 94 11.090 -4.555 2.931 1.00 0.00 O ATOM 1384 OE2 GLU A 94 10.991 -6.571 3.767 1.00 0.00 O ATOM 0 H GLU A 94 12.948 -4.194 2.100 1.00 0.00 H new ATOM 0 HA GLU A 94 13.803 -6.708 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.778 -4.689 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.018 -6.212 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.122 -6.385 0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.406 -7.460 1.458 1.00 0.00 H new ATOM 1391 N ILE A 95 14.852 -4.328 -0.704 1.00 0.00 N ATOM 1392 CA ILE A 95 15.687 -4.034 -1.863 1.00 0.00 C ATOM 1393 C ILE A 95 16.735 -3.018 -1.404 1.00 0.00 C ATOM 1394 O ILE A 95 16.391 -2.050 -0.718 1.00 0.00 O ATOM 1395 CB ILE A 95 14.803 -3.527 -3.013 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.784 -4.624 -3.407 1.00 0.00 C ATOM 1397 CG2 ILE A 95 15.667 -3.100 -4.223 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.048 -4.371 -4.718 1.00 0.00 C ATOM 0 H ILE A 95 14.570 -3.498 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 95 16.201 -4.915 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 95 14.254 -2.646 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 95 14.307 -5.578 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.050 -4.722 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.020 -2.745 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.344 -2.301 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 95 16.246 -3.953 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.356 -5.191 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.492 -3.436 -4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.769 -4.305 -5.533 1.00 0.00 H new ATOM 1410 N PHE A 96 17.993 -3.214 -1.812 1.00 0.00 N ATOM 1411 CA PHE A 96 19.089 -2.309 -1.550 1.00 0.00 C ATOM 1412 C PHE A 96 20.007 -2.281 -2.769 1.00 0.00 C ATOM 1413 O PHE A 96 20.309 -3.334 -3.336 1.00 0.00 O ATOM 1414 CB PHE A 96 19.894 -2.735 -0.309 1.00 0.00 C ATOM 1415 CG PHE A 96 21.101 -1.835 -0.096 1.00 0.00 C ATOM 1416 CD1 PHE A 96 22.316 -2.101 -0.765 1.00 0.00 C ATOM 1417 CD2 PHE A 96 20.954 -0.639 0.629 1.00 0.00 C ATOM 1418 CE1 PHE A 96 23.350 -1.146 -0.766 1.00 0.00 C ATOM 1419 CE2 PHE A 96 22.013 0.282 0.679 1.00 0.00 C ATOM 1420 CZ PHE A 96 23.203 0.038 -0.026 1.00 0.00 C ATOM 0 H PHE A 96 18.273 -4.035 -2.349 1.00 0.00 H new ATOM 0 HA PHE A 96 18.679 -1.318 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 96 19.253 -2.701 0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.224 -3.768 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.452 -3.041 -1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.029 -0.429 1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 96 24.252 -1.323 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 96 21.912 1.184 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.005 0.761 0.001 1.00 0.00 H new ATOM 1430 N GLU A 97 20.480 -1.090 -3.128 1.00 0.00 N ATOM 1431 CA GLU A 97 21.546 -0.862 -4.098 1.00 0.00 C ATOM 1432 C GLU A 97 22.325 0.383 -3.661 1.00 0.00 C ATOM 1433 O GLU A 97 21.811 1.197 -2.897 1.00 0.00 O ATOM 1434 CB GLU A 97 20.995 -0.627 -5.515 1.00 0.00 C ATOM 1435 CG GLU A 97 20.571 -1.916 -6.220 1.00 0.00 C ATOM 1436 CD GLU A 97 20.231 -1.678 -7.702 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.423 -0.774 -8.010 1.00 0.00 O ATOM 1438 OE2 GLU A 97 20.767 -2.408 -8.569 1.00 0.00 O ATOM 0 H GLU A 97 20.116 -0.222 -2.734 1.00 0.00 H new ATOM 0 HA GLU A 97 22.181 -1.747 -4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 97 20.140 0.046 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 97 21.755 -0.126 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 97 21.373 -2.650 -6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.704 -2.338 -5.712 1.00 0.00 H new ATOM 1445 N ASP A 98 23.536 0.542 -4.196 1.00 0.00 N ATOM 1446 CA ASP A 98 24.362 1.750 -4.104 1.00 0.00 C ATOM 1447 C ASP A 98 24.689 2.234 -5.521 1.00 0.00 C ATOM 1448 O ASP A 98 25.562 1.667 -6.181 1.00 0.00 O ATOM 1449 CB ASP A 98 25.641 1.580 -3.271 1.00 0.00 C ATOM 1450 CG ASP A 98 26.447 2.899 -3.257 1.00 0.00 C ATOM 1451 OD1 ASP A 98 25.881 3.962 -2.910 1.00 0.00 O ATOM 1452 OD2 ASP A 98 27.651 2.873 -3.597 1.00 0.00 O ATOM 0 H ASP A 98 23.990 -0.200 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 98 23.779 2.498 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.384 1.291 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.250 0.777 -3.686 1.00 0.00 H new ATOM 1457 N TRP A 99 23.935 3.210 -6.036 1.00 0.00 N ATOM 1458 CA TRP A 99 24.110 3.747 -7.386 1.00 0.00 C ATOM 1459 C TRP A 99 25.359 4.629 -7.430 1.00 0.00 C ATOM 1460 O TRP A 99 25.330 5.797 -7.039 1.00 0.00 O ATOM 1461 CB TRP A 99 22.844 4.472 -7.877 1.00 0.00 C ATOM 1462 CG TRP A 99 21.588 3.652 -8.013 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.422 2.323 -7.801 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.267 4.142 -8.381 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.112 1.963 -8.052 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.334 3.057 -8.360 1.00 0.00 C ATOM 1467 CE3 TRP A 99 19.775 5.422 -8.707 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.963 3.246 -8.617 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.412 5.623 -8.966 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.518 4.542 -8.917 1.00 0.00 C ATOM 0 H TRP A 99 23.176 3.654 -5.519 1.00 0.00 H new ATOM 0 HA TRP A 99 24.262 2.922 -8.082 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.638 5.293 -7.191 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.064 4.915 -8.848 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.200 1.645 -7.483 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.764 1.005 -8.014 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.457 6.258 -8.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.273 2.416 -8.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.049 6.612 -9.204 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.470 4.711 -9.114 1.00 0.00 H new ATOM 1481 N GLN A 100 26.467 4.049 -7.896 1.00 0.00 N ATOM 1482 CA GLN A 100 27.688 4.773 -8.209 1.00 0.00 C ATOM 1483 C GLN A 100 27.379 5.752 -9.344 1.00 0.00 C ATOM 1484 O GLN A 100 26.949 5.345 -10.425 1.00 0.00 O ATOM 1485 CB GLN A 100 28.800 3.763 -8.522 1.00 0.00 C ATOM 1486 CG GLN A 100 30.189 4.412 -8.605 1.00 0.00 C ATOM 1487 CD GLN A 100 31.282 3.354 -8.449 1.00 0.00 C ATOM 1488 OE1 GLN A 100 31.827 2.842 -9.425 1.00 0.00 O ATOM 1489 NE2 GLN A 100 31.605 2.982 -7.220 1.00 0.00 N ATOM 0 H GLN A 100 26.536 3.046 -8.067 1.00 0.00 H new ATOM 0 HA GLN A 100 28.052 5.366 -7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.810 2.991 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 100 28.579 3.268 -9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 100 30.302 4.923 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 100 30.292 5.168 -7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 100 31.145 3.415 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.313 2.263 -7.074 1.00 0.00 H new ATOM 1498 N LEU A 101 27.560 7.045 -9.068 1.00 0.00 N ATOM 1499 CA LEU A 101 27.130 8.164 -9.898 1.00 0.00 C ATOM 1500 C LEU A 101 28.085 9.324 -9.638 1.00 0.00 C ATOM 1501 O LEU A 101 28.589 9.462 -8.522 1.00 0.00 O ATOM 1502 CB LEU A 101 25.722 8.591 -9.443 1.00 0.00 C ATOM 1503 CG LEU A 101 24.559 7.679 -9.881 1.00 0.00 C ATOM 1504 CD1 LEU A 101 23.318 8.048 -9.068 1.00 0.00 C ATOM 1505 CD2 LEU A 101 24.275 7.768 -11.381 1.00 0.00 C ATOM 0 H LEU A 101 28.033 7.351 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 101 27.123 7.888 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.718 8.653 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.530 9.596 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 101 24.841 6.644 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.485 7.411 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.522 7.905 -8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 101 23.060 9.091 -9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 101 23.447 7.106 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 101 24.012 8.793 -11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.163 7.468 -11.938 1.00 0.00 H new ATOM 1517 N GLU A 102 28.286 10.202 -10.615 1.00 0.00 N ATOM 1518 CA GLU A 102 29.225 11.309 -10.537 1.00 0.00 C ATOM 1519 C GLU A 102 28.597 12.510 -9.839 1.00 0.00 C ATOM 1520 O GLU A 102 28.240 13.480 -10.503 1.00 0.00 O ATOM 1521 CB GLU A 102 29.810 11.636 -11.925 1.00 0.00 C ATOM 1522 CG GLU A 102 30.686 10.494 -12.459 1.00 0.00 C ATOM 1523 CD GLU A 102 31.377 10.879 -13.779 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.804 10.639 -14.866 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.516 11.398 -13.745 1.00 0.00 O ATOM 0 H GLU A 102 27.787 10.160 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 102 30.071 11.011 -9.918 1.00 0.00 H new ATOM 0 HB2 GLU A 102 28.997 11.829 -12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.401 12.550 -11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 102 31.440 10.235 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 102 30.073 9.606 -12.614 1.00 0.00 H new ATOM 1532 N ASP A 103 28.450 12.389 -8.508 1.00 0.00 N ATOM 1533 CA ASP A 103 27.924 13.373 -7.544 1.00 0.00 C ATOM 1534 C ASP A 103 27.964 14.798 -8.118 1.00 0.00 C ATOM 1535 O ASP A 103 29.033 15.422 -8.158 1.00 0.00 O ATOM 1536 CB ASP A 103 28.666 13.264 -6.202 1.00 0.00 C ATOM 1537 CG ASP A 103 28.761 14.580 -5.408 1.00 0.00 C ATOM 1538 OD1 ASP A 103 27.750 15.303 -5.268 1.00 0.00 O ATOM 1539 OD2 ASP A 103 29.852 14.863 -4.863 1.00 0.00 O ATOM 0 H ASP A 103 28.720 11.525 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 103 26.875 13.144 -7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 103 28.164 12.519 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 103 29.675 12.895 -6.389 1.00 0.00 H new ATOM 1544 N PRO A 104 26.826 15.268 -8.659 1.00 0.00 N ATOM 1545 CA PRO A 104 26.766 16.497 -9.427 1.00 0.00 C ATOM 1546 C PRO A 104 27.104 17.788 -8.684 1.00 0.00 C ATOM 1547 O PRO A 104 27.177 18.823 -9.339 1.00 0.00 O ATOM 1548 CB PRO A 104 25.365 16.568 -10.015 1.00 0.00 C ATOM 1549 CG PRO A 104 24.939 15.115 -10.106 1.00 0.00 C ATOM 1550 CD PRO A 104 25.659 14.444 -8.945 1.00 0.00 C ATOM 0 HA PRO A 104 27.553 16.444 -10.179 1.00 0.00 H new ATOM 0 HB2 PRO A 104 24.692 17.143 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 104 25.365 17.047 -10.994 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.858 15.010 -10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 104 25.226 14.675 -11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 104 25.009 14.373 -8.073 1.00 0.00 H new ATOM 0 HD3 PRO A 104 25.955 13.428 -9.205 1.00 0.00 H new ATOM 1558 N ASP A 105 27.292 17.788 -7.363 1.00 0.00 N ATOM 1559 CA ASP A 105 27.461 19.023 -6.598 1.00 0.00 C ATOM 1560 C ASP A 105 28.698 19.840 -7.016 1.00 0.00 C ATOM 1561 O ASP A 105 29.798 19.640 -6.495 1.00 0.00 O ATOM 1562 CB ASP A 105 27.454 18.757 -5.094 1.00 0.00 C ATOM 1563 CG ASP A 105 27.595 20.077 -4.316 1.00 0.00 C ATOM 1564 OD1 ASP A 105 26.847 21.032 -4.625 1.00 0.00 O ATOM 1565 OD2 ASP A 105 28.431 20.159 -3.388 1.00 0.00 O ATOM 0 H ASP A 105 27.331 16.940 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 105 26.596 19.641 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.527 18.258 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 105 28.271 18.085 -4.833 1.00 0.00 H new ATOM 1570 N GLY A 106 28.511 20.757 -7.970 1.00 0.00 N ATOM 1571 CA GLY A 106 29.512 21.698 -8.462 1.00 0.00 C ATOM 1572 C GLY A 106 30.077 21.322 -9.838 1.00 0.00 C ATOM 1573 O GLY A 106 31.111 21.870 -10.227 1.00 0.00 O ATOM 0 H GLY A 106 27.613 20.865 -8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.069 22.692 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.331 21.755 -7.744 1.00 0.00 H new ATOM 1577 N GLN A 107 29.462 20.374 -10.556 1.00 0.00 N ATOM 1578 CA GLN A 107 30.019 19.814 -11.789 1.00 0.00 C ATOM 1579 C GLN A 107 29.547 20.578 -13.037 1.00 0.00 C ATOM 1580 O GLN A 107 28.778 21.540 -12.956 1.00 0.00 O ATOM 1581 CB GLN A 107 29.646 18.328 -11.916 1.00 0.00 C ATOM 1582 CG GLN A 107 29.893 17.468 -10.675 1.00 0.00 C ATOM 1583 CD GLN A 107 31.345 17.199 -10.290 1.00 0.00 C ATOM 1584 OE1 GLN A 107 32.299 17.692 -10.887 1.00 0.00 O ATOM 1585 NE2 GLN A 107 31.525 16.380 -9.268 1.00 0.00 N ATOM 0 H GLN A 107 28.561 19.974 -10.295 1.00 0.00 H new ATOM 0 HA GLN A 107 31.103 19.916 -11.728 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.590 18.260 -12.177 1.00 0.00 H new ATOM 0 HB3 GLN A 107 30.208 17.902 -12.747 1.00 0.00 H new ATOM 0 HG2 GLN A 107 29.403 17.948 -9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 107 29.400 16.508 -10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.719 15.981 -8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.470 16.147 -8.962 1.00 0.00 H new ATOM 1594 N SER A 108 30.009 20.119 -14.201 1.00 0.00 N ATOM 1595 CA SER A 108 29.610 20.601 -15.518 1.00 0.00 C ATOM 1596 C SER A 108 28.224 20.054 -15.878 1.00 0.00 C ATOM 1597 O SER A 108 27.851 18.975 -15.411 1.00 0.00 O ATOM 1598 CB SER A 108 30.650 20.092 -16.523 1.00 0.00 C ATOM 1599 OG SER A 108 31.954 20.530 -16.167 1.00 0.00 O ATOM 0 H SER A 108 30.700 19.370 -14.251 1.00 0.00 H new ATOM 0 HA SER A 108 29.559 21.690 -15.532 1.00 0.00 H new ATOM 0 HB2 SER A 108 30.625 19.003 -16.559 1.00 0.00 H new ATOM 0 HB3 SER A 108 30.402 20.450 -17.522 1.00 0.00 H new ATOM 0 HG SER A 108 32.602 20.193 -16.820 1.00 0.00 H new ATOM 1605 N LEU A 109 27.480 20.737 -16.761 1.00 0.00 N ATOM 1606 CA LEU A 109 26.130 20.310 -17.153 1.00 0.00 C ATOM 1607 C LEU A 109 26.133 18.913 -17.753 1.00 0.00 C ATOM 1608 O LEU A 109 25.160 18.189 -17.590 1.00 0.00 O ATOM 1609 CB LEU A 109 25.489 21.254 -18.184 1.00 0.00 C ATOM 1610 CG LEU A 109 25.148 22.656 -17.652 1.00 0.00 C ATOM 1611 CD1 LEU A 109 24.660 23.538 -18.806 1.00 0.00 C ATOM 1612 CD2 LEU A 109 24.070 22.619 -16.560 1.00 0.00 C ATOM 0 H LEU A 109 27.794 21.593 -17.219 1.00 0.00 H new ATOM 0 HA LEU A 109 25.548 20.327 -16.231 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.167 21.357 -19.031 1.00 0.00 H new ATOM 0 HB3 LEU A 109 24.576 20.792 -18.560 1.00 0.00 H new ATOM 0 HG LEU A 109 26.057 23.066 -17.211 1.00 0.00 H new ATOM 0 HD11 LEU A 109 24.419 24.531 -18.428 1.00 0.00 H new ATOM 0 HD12 LEU A 109 25.443 23.617 -19.560 1.00 0.00 H new ATOM 0 HD13 LEU A 109 23.770 23.094 -19.252 1.00 0.00 H new ATOM 0 HD21 LEU A 109 23.865 23.633 -16.217 1.00 0.00 H new ATOM 0 HD22 LEU A 109 23.158 22.181 -16.964 1.00 0.00 H new ATOM 0 HD23 LEU A 109 24.421 22.017 -15.722 1.00 0.00 H new ATOM 1624 N GLU A 110 27.206 18.518 -18.431 1.00 0.00 N ATOM 1625 CA GLU A 110 27.308 17.193 -19.028 1.00 0.00 C ATOM 1626 C GLU A 110 27.411 16.108 -17.952 1.00 0.00 C ATOM 1627 O GLU A 110 26.844 15.028 -18.118 1.00 0.00 O ATOM 1628 CB GLU A 110 28.506 17.163 -19.984 1.00 0.00 C ATOM 1629 CG GLU A 110 28.118 17.599 -21.408 1.00 0.00 C ATOM 1630 CD GLU A 110 27.414 18.969 -21.473 1.00 0.00 C ATOM 1631 OE1 GLU A 110 28.110 20.010 -21.498 1.00 0.00 O ATOM 1632 OE2 GLU A 110 26.163 19.003 -21.525 1.00 0.00 O ATOM 0 H GLU A 110 28.026 19.106 -18.581 1.00 0.00 H new ATOM 0 HA GLU A 110 26.402 16.982 -19.596 1.00 0.00 H new ATOM 0 HB2 GLU A 110 29.289 17.819 -19.605 1.00 0.00 H new ATOM 0 HB3 GLU A 110 28.921 16.156 -20.014 1.00 0.00 H new ATOM 0 HG2 GLU A 110 29.017 17.634 -22.024 1.00 0.00 H new ATOM 0 HG3 GLU A 110 27.463 16.844 -21.843 1.00 0.00 H new ATOM 1639 N VAL A 111 28.071 16.390 -16.826 1.00 0.00 N ATOM 1640 CA VAL A 111 28.089 15.484 -15.678 1.00 0.00 C ATOM 1641 C VAL A 111 26.676 15.395 -15.096 1.00 0.00 C ATOM 1642 O VAL A 111 26.184 14.290 -14.861 1.00 0.00 O ATOM 1643 CB VAL A 111 29.117 15.944 -14.628 1.00 0.00 C ATOM 1644 CG1 VAL A 111 29.112 15.024 -13.399 1.00 0.00 C ATOM 1645 CG2 VAL A 111 30.537 15.979 -15.217 1.00 0.00 C ATOM 0 H VAL A 111 28.605 17.248 -16.686 1.00 0.00 H new ATOM 0 HA VAL A 111 28.399 14.489 -15.999 1.00 0.00 H new ATOM 0 HB VAL A 111 28.827 16.950 -14.324 1.00 0.00 H new ATOM 0 HG11 VAL A 111 29.849 15.377 -12.677 1.00 0.00 H new ATOM 0 HG12 VAL A 111 28.123 15.033 -12.941 1.00 0.00 H new ATOM 0 HG13 VAL A 111 29.361 14.008 -13.704 1.00 0.00 H new ATOM 0 HG21 VAL A 111 31.240 16.308 -14.452 1.00 0.00 H new ATOM 0 HG22 VAL A 111 30.813 14.982 -15.560 1.00 0.00 H new ATOM 0 HG23 VAL A 111 30.565 16.672 -16.057 1.00 0.00 H new ATOM 1655 N PHE A 112 25.999 16.536 -14.923 1.00 0.00 N ATOM 1656 CA PHE A 112 24.616 16.557 -14.463 1.00 0.00 C ATOM 1657 C PHE A 112 23.727 15.727 -15.397 1.00 0.00 C ATOM 1658 O PHE A 112 23.003 14.862 -14.917 1.00 0.00 O ATOM 1659 CB PHE A 112 24.101 17.995 -14.356 1.00 0.00 C ATOM 1660 CG PHE A 112 24.369 18.704 -13.052 1.00 0.00 C ATOM 1661 CD1 PHE A 112 25.545 19.453 -12.887 1.00 0.00 C ATOM 1662 CD2 PHE A 112 23.420 18.639 -12.011 1.00 0.00 C ATOM 1663 CE1 PHE A 112 25.798 20.095 -11.669 1.00 0.00 C ATOM 1664 CE2 PHE A 112 23.677 19.282 -10.789 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.883 19.980 -10.614 1.00 0.00 C ATOM 0 H PHE A 112 26.395 17.460 -15.097 1.00 0.00 H new ATOM 0 HA PHE A 112 24.578 16.111 -13.469 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.547 18.579 -15.161 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.024 17.987 -14.526 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.253 19.534 -13.698 1.00 0.00 H new ATOM 0 HD2 PHE A 112 22.497 18.096 -12.153 1.00 0.00 H new ATOM 0 HE1 PHE A 112 26.698 20.679 -11.543 1.00 0.00 H new ATOM 0 HE2 PHE A 112 22.952 19.240 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 112 25.107 20.432 -9.659 1.00 0.00 H new ATOM 1675 N ARG A 113 23.804 15.934 -16.716 1.00 0.00 N ATOM 1676 CA ARG A 113 23.067 15.166 -17.723 1.00 0.00 C ATOM 1677 C ARG A 113 23.375 13.678 -17.636 1.00 0.00 C ATOM 1678 O ARG A 113 22.442 12.878 -17.693 1.00 0.00 O ATOM 1679 CB ARG A 113 23.380 15.717 -19.129 1.00 0.00 C ATOM 1680 CG ARG A 113 22.522 16.952 -19.434 1.00 0.00 C ATOM 1681 CD ARG A 113 23.184 17.979 -20.347 1.00 0.00 C ATOM 1682 NE ARG A 113 22.257 19.085 -20.627 1.00 0.00 N ATOM 1683 CZ ARG A 113 22.576 20.230 -21.238 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.823 20.479 -21.636 1.00 0.00 N ATOM 1685 NH2 ARG A 113 21.625 21.131 -21.447 1.00 0.00 N ATOM 0 H ARG A 113 24.396 16.659 -17.122 1.00 0.00 H new ATOM 0 HA ARG A 113 22.001 15.279 -17.527 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.436 15.977 -19.196 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.194 14.946 -19.876 1.00 0.00 H new ATOM 0 HG2 ARG A 113 21.589 16.625 -19.894 1.00 0.00 H new ATOM 0 HG3 ARG A 113 22.261 17.437 -18.494 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.089 18.364 -19.877 1.00 0.00 H new ATOM 0 HD3 ARG A 113 23.487 17.504 -21.280 1.00 0.00 H new ATOM 0 HE ARG A 113 21.288 18.969 -20.330 1.00 0.00 H new ATOM 0 HH11 ARG A 113 24.557 19.789 -21.476 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.044 21.360 -22.101 1.00 0.00 H new ATOM 0 HH21 ARG A 113 20.670 20.944 -21.143 1.00 0.00 H new ATOM 0 HH22 ARG A 113 21.849 22.011 -21.912 1.00 0.00 H new ATOM 1699 N THR A 114 24.640 13.291 -17.468 1.00 0.00 N ATOM 1700 CA THR A 114 25.028 11.902 -17.348 1.00 0.00 C ATOM 1701 C THR A 114 24.349 11.288 -16.119 1.00 0.00 C ATOM 1702 O THR A 114 23.706 10.242 -16.229 1.00 0.00 O ATOM 1703 CB THR A 114 26.564 11.853 -17.287 1.00 0.00 C ATOM 1704 OG1 THR A 114 27.122 12.388 -18.473 1.00 0.00 O ATOM 1705 CG2 THR A 114 27.073 10.428 -17.125 1.00 0.00 C ATOM 0 H THR A 114 25.422 13.943 -17.412 1.00 0.00 H new ATOM 0 HA THR A 114 24.704 11.308 -18.203 1.00 0.00 H new ATOM 0 HB THR A 114 26.867 12.444 -16.422 1.00 0.00 H new ATOM 0 HG1 THR A 114 26.874 13.332 -18.554 1.00 0.00 H new ATOM 0 HG21 THR A 114 28.162 10.433 -17.086 1.00 0.00 H new ATOM 0 HG22 THR A 114 26.679 10.004 -16.202 1.00 0.00 H new ATOM 0 HG23 THR A 114 26.743 9.825 -17.971 1.00 0.00 H new ATOM 1713 N VAL A 115 24.435 11.949 -14.961 1.00 0.00 N ATOM 1714 CA VAL A 115 23.823 11.450 -13.741 1.00 0.00 C ATOM 1715 C VAL A 115 22.304 11.439 -13.875 1.00 0.00 C ATOM 1716 O VAL A 115 21.710 10.418 -13.549 1.00 0.00 O ATOM 1717 CB VAL A 115 24.331 12.233 -12.524 1.00 0.00 C ATOM 1718 CG1 VAL A 115 23.554 11.943 -11.229 1.00 0.00 C ATOM 1719 CG2 VAL A 115 25.809 11.897 -12.291 1.00 0.00 C ATOM 0 H VAL A 115 24.927 12.836 -14.850 1.00 0.00 H new ATOM 0 HA VAL A 115 24.121 10.414 -13.577 1.00 0.00 H new ATOM 0 HB VAL A 115 24.185 13.288 -12.754 1.00 0.00 H new ATOM 0 HG11 VAL A 115 23.972 12.534 -10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.505 12.206 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL A 115 23.633 10.883 -10.987 1.00 0.00 H new ATOM 0 HG21 VAL A 115 26.176 12.451 -11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 115 25.915 10.828 -12.108 1.00 0.00 H new ATOM 0 HG23 VAL A 115 26.388 12.174 -13.172 1.00 0.00 H new ATOM 1729 N ARG A 116 21.671 12.494 -14.405 1.00 0.00 N ATOM 1730 CA ARG A 116 20.230 12.522 -14.644 1.00 0.00 C ATOM 1731 C ARG A 116 19.836 11.300 -15.456 1.00 0.00 C ATOM 1732 O ARG A 116 18.859 10.647 -15.107 1.00 0.00 O ATOM 1733 CB ARG A 116 19.787 13.833 -15.340 1.00 0.00 C ATOM 1734 CG ARG A 116 18.393 13.666 -15.979 1.00 0.00 C ATOM 1735 CD ARG A 116 17.685 14.941 -16.434 1.00 0.00 C ATOM 1736 NE ARG A 116 18.366 15.638 -17.545 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.250 15.339 -18.848 1.00 0.00 C ATOM 1738 NH1 ARG A 116 17.578 14.258 -19.243 1.00 0.00 N ATOM 1739 NH2 ARG A 116 18.804 16.122 -19.764 1.00 0.00 N ATOM 0 H ARG A 116 22.149 13.352 -14.679 1.00 0.00 H new ATOM 0 HA ARG A 116 19.714 12.495 -13.684 1.00 0.00 H new ATOM 0 HB2 ARG A 116 19.765 14.646 -14.615 1.00 0.00 H new ATOM 0 HB3 ARG A 116 20.513 14.108 -16.105 1.00 0.00 H new ATOM 0 HG2 ARG A 116 18.492 13.006 -16.841 1.00 0.00 H new ATOM 0 HG3 ARG A 116 17.749 13.158 -15.261 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.670 14.691 -16.742 1.00 0.00 H new ATOM 0 HD3 ARG A 116 17.603 15.622 -15.587 1.00 0.00 H new ATOM 0 HE ARG A 116 18.979 16.416 -17.300 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.144 13.646 -18.552 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.497 14.042 -20.237 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.320 16.954 -19.479 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.714 15.892 -20.754 1.00 0.00 H new ATOM 1753 N GLY A 117 20.569 11.003 -16.527 1.00 0.00 N ATOM 1754 CA GLY A 117 20.217 9.904 -17.401 1.00 0.00 C ATOM 1755 C GLY A 117 20.304 8.585 -16.654 1.00 0.00 C ATOM 1756 O GLY A 117 19.322 7.844 -16.661 1.00 0.00 O ATOM 0 H GLY A 117 21.408 11.512 -16.804 1.00 0.00 H new ATOM 0 HA2 GLY A 117 19.207 10.046 -17.785 1.00 0.00 H new ATOM 0 HA3 GLY A 117 20.886 9.887 -18.262 1.00 0.00 H new ATOM 1760 N GLN A 118 21.417 8.321 -15.956 1.00 0.00 N ATOM 1761 CA GLN A 118 21.582 7.091 -15.198 1.00 0.00 C ATOM 1762 C GLN A 118 20.494 6.975 -14.136 1.00 0.00 C ATOM 1763 O GLN A 118 19.750 6.003 -14.127 1.00 0.00 O ATOM 1764 CB GLN A 118 22.968 7.017 -14.542 1.00 0.00 C ATOM 1765 CG GLN A 118 24.116 6.767 -15.530 1.00 0.00 C ATOM 1766 CD GLN A 118 25.324 6.135 -14.833 1.00 0.00 C ATOM 1767 OE1 GLN A 118 25.207 5.092 -14.189 1.00 0.00 O ATOM 1768 NE2 GLN A 118 26.499 6.734 -14.930 1.00 0.00 N ATOM 0 H GLN A 118 22.216 8.953 -15.906 1.00 0.00 H new ATOM 0 HA GLN A 118 21.494 6.257 -15.894 1.00 0.00 H new ATOM 0 HB2 GLN A 118 23.157 7.950 -14.010 1.00 0.00 H new ATOM 0 HB3 GLN A 118 22.964 6.221 -13.797 1.00 0.00 H new ATOM 0 HG2 GLN A 118 23.773 6.113 -16.331 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.412 7.709 -15.992 1.00 0.00 H new ATOM 0 HE21 GLN A 118 26.588 7.598 -15.465 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.316 6.332 -14.470 1.00 0.00 H new ATOM 1777 N VAL A 119 20.387 7.973 -13.264 1.00 0.00 N ATOM 1778 CA VAL A 119 19.380 8.070 -12.215 1.00 0.00 C ATOM 1779 C VAL A 119 17.994 7.819 -12.801 1.00 0.00 C ATOM 1780 O VAL A 119 17.316 6.940 -12.282 1.00 0.00 O ATOM 1781 CB VAL A 119 19.467 9.426 -11.476 1.00 0.00 C ATOM 1782 CG1 VAL A 119 18.337 9.619 -10.454 1.00 0.00 C ATOM 1783 CG2 VAL A 119 20.770 9.551 -10.674 1.00 0.00 C ATOM 0 H VAL A 119 21.026 8.768 -13.270 1.00 0.00 H new ATOM 0 HA VAL A 119 19.572 7.300 -11.468 1.00 0.00 H new ATOM 0 HB VAL A 119 19.404 10.173 -12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 119 18.449 10.587 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.374 9.579 -10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 119 18.384 8.828 -9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 119 20.795 10.517 -10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 119 20.820 8.753 -9.934 1.00 0.00 H new ATOM 0 HG23 VAL A 119 21.622 9.473 -11.349 1.00 0.00 H new ATOM 1793 N LYS A 120 17.553 8.517 -13.860 1.00 0.00 N ATOM 1794 CA LYS A 120 16.187 8.335 -14.340 1.00 0.00 C ATOM 1795 C LYS A 120 15.963 6.894 -14.773 1.00 0.00 C ATOM 1796 O LYS A 120 14.975 6.281 -14.376 1.00 0.00 O ATOM 1797 CB LYS A 120 15.880 9.327 -15.473 1.00 0.00 C ATOM 1798 CG LYS A 120 14.420 9.199 -15.936 1.00 0.00 C ATOM 1799 CD LYS A 120 14.077 10.166 -17.083 1.00 0.00 C ATOM 1800 CE LYS A 120 14.612 9.673 -18.438 1.00 0.00 C ATOM 1801 NZ LYS A 120 13.814 8.551 -19.001 1.00 0.00 N ATOM 0 H LYS A 120 18.110 9.193 -14.383 1.00 0.00 H new ATOM 0 HA LYS A 120 15.494 8.543 -13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 120 16.069 10.345 -15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 120 16.549 9.143 -16.313 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.234 8.175 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.757 9.391 -15.093 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.995 10.286 -17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.495 11.149 -16.865 1.00 0.00 H new ATOM 0 HE2 LYS A 120 14.614 10.502 -19.146 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.647 9.353 -18.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.286 8.182 -19.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.733 7.793 -18.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 12.864 8.892 -19.253 1.00 0.00 H new ATOM 1815 N GLU A 121 16.892 6.344 -15.548 1.00 0.00 N ATOM 1816 CA GLU A 121 16.822 4.970 -16.013 1.00 0.00 C ATOM 1817 C GLU A 121 16.751 4.013 -14.826 1.00 0.00 C ATOM 1818 O GLU A 121 15.951 3.082 -14.824 1.00 0.00 O ATOM 1819 CB GLU A 121 18.040 4.695 -16.923 1.00 0.00 C ATOM 1820 CG GLU A 121 18.878 3.441 -16.635 1.00 0.00 C ATOM 1821 CD GLU A 121 19.879 3.158 -17.769 1.00 0.00 C ATOM 1822 OE1 GLU A 121 19.506 2.489 -18.760 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.055 3.577 -17.676 1.00 0.00 O ATOM 0 H GLU A 121 17.719 6.846 -15.871 1.00 0.00 H new ATOM 0 HA GLU A 121 15.916 4.808 -16.597 1.00 0.00 H new ATOM 0 HB2 GLU A 121 17.683 4.631 -17.951 1.00 0.00 H new ATOM 0 HB3 GLU A 121 18.701 5.560 -16.869 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.417 3.570 -15.696 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.218 2.583 -16.508 1.00 0.00 H new ATOM 1830 N ARG A 122 17.584 4.237 -13.812 1.00 0.00 N ATOM 1831 CA ARG A 122 17.669 3.367 -12.650 1.00 0.00 C ATOM 1832 C ARG A 122 16.389 3.478 -11.811 1.00 0.00 C ATOM 1833 O ARG A 122 15.886 2.445 -11.384 1.00 0.00 O ATOM 1834 CB ARG A 122 18.935 3.692 -11.848 1.00 0.00 C ATOM 1835 CG ARG A 122 20.277 3.343 -12.519 1.00 0.00 C ATOM 1836 CD ARG A 122 21.410 4.069 -11.777 1.00 0.00 C ATOM 1837 NE ARG A 122 22.744 3.804 -12.348 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.642 2.915 -11.905 1.00 0.00 C ATOM 1839 NH1 ARG A 122 23.337 2.056 -10.933 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.853 2.904 -12.449 1.00 0.00 N ATOM 0 H ARG A 122 18.221 5.033 -13.777 1.00 0.00 H new ATOM 0 HA ARG A 122 17.748 2.328 -12.969 1.00 0.00 H new ATOM 0 HB2 ARG A 122 18.933 4.758 -11.622 1.00 0.00 H new ATOM 0 HB3 ARG A 122 18.881 3.165 -10.896 1.00 0.00 H new ATOM 0 HG2 ARG A 122 20.441 2.266 -12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 122 20.262 3.640 -13.568 1.00 0.00 H new ATOM 0 HD2 ARG A 122 21.220 5.142 -11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 122 21.403 3.765 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 122 23.010 4.355 -13.164 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.407 2.069 -10.514 1.00 0.00 H new ATOM 0 HH12 ARG A 122 24.033 1.386 -10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.085 3.565 -13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 122 25.551 2.235 -12.126 1.00 0.00 H new ATOM 1854 N VAL A 123 15.812 4.669 -11.608 1.00 0.00 N ATOM 1855 CA VAL A 123 14.494 4.853 -11.014 1.00 0.00 C ATOM 1856 C VAL A 123 13.458 4.044 -11.801 1.00 0.00 C ATOM 1857 O VAL A 123 12.699 3.296 -11.187 1.00 0.00 O ATOM 1858 CB VAL A 123 14.140 6.355 -10.960 1.00 0.00 C ATOM 1859 CG1 VAL A 123 12.699 6.574 -10.494 1.00 0.00 C ATOM 1860 CG2 VAL A 123 15.033 7.143 -9.989 1.00 0.00 C ATOM 0 H VAL A 123 16.264 5.548 -11.860 1.00 0.00 H new ATOM 0 HA VAL A 123 14.495 4.484 -9.988 1.00 0.00 H new ATOM 0 HB VAL A 123 14.288 6.713 -11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.484 7.642 -10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 123 12.014 6.083 -11.185 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.571 6.153 -9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 123 14.738 8.192 -9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 123 14.922 6.739 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 123 16.074 7.058 -10.301 1.00 0.00 H new ATOM 1870 N GLU A 124 13.423 4.143 -13.135 1.00 0.00 N ATOM 1871 CA GLU A 124 12.477 3.381 -13.947 1.00 0.00 C ATOM 1872 C GLU A 124 12.690 1.877 -13.747 1.00 0.00 C ATOM 1873 O GLU A 124 11.730 1.113 -13.647 1.00 0.00 O ATOM 1874 CB GLU A 124 12.594 3.737 -15.443 1.00 0.00 C ATOM 1875 CG GLU A 124 12.098 5.147 -15.790 1.00 0.00 C ATOM 1876 CD GLU A 124 12.236 5.449 -17.293 1.00 0.00 C ATOM 1877 OE1 GLU A 124 11.406 4.957 -18.093 1.00 0.00 O ATOM 1878 OE2 GLU A 124 13.158 6.200 -17.687 1.00 0.00 O ATOM 0 H GLU A 124 14.043 4.747 -13.674 1.00 0.00 H new ATOM 0 HA GLU A 124 11.473 3.648 -13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.637 3.645 -15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 124 12.027 3.010 -16.024 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.054 5.248 -15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.664 5.882 -15.218 1.00 0.00 H new ATOM 1885 N ASN A 125 13.951 1.458 -13.641 1.00 0.00 N ATOM 1886 CA ASN A 125 14.339 0.075 -13.422 1.00 0.00 C ATOM 1887 C ASN A 125 13.824 -0.415 -12.073 1.00 0.00 C ATOM 1888 O ASN A 125 13.247 -1.495 -11.983 1.00 0.00 O ATOM 1889 CB ASN A 125 15.869 -0.065 -13.505 1.00 0.00 C ATOM 1890 CG ASN A 125 16.272 -1.447 -13.986 1.00 0.00 C ATOM 1891 OD1 ASN A 125 16.229 -2.426 -13.245 1.00 0.00 O ATOM 1892 ND2 ASN A 125 16.673 -1.543 -15.244 1.00 0.00 N ATOM 0 H ASN A 125 14.747 2.092 -13.708 1.00 0.00 H new ATOM 0 HA ASN A 125 13.893 -0.543 -14.201 1.00 0.00 H new ATOM 0 HB2 ASN A 125 16.269 0.689 -14.183 1.00 0.00 H new ATOM 0 HB3 ASN A 125 16.307 0.123 -12.525 1.00 0.00 H new ATOM 0 HD21 ASN A 125 16.957 -2.447 -15.621 1.00 0.00 H new ATOM 0 HD22 ASN A 125 16.698 -0.713 -15.836 1.00 0.00 H new ATOM 1899 N LEU A 126 14.002 0.395 -11.025 1.00 0.00 N ATOM 1900 CA LEU A 126 13.558 0.086 -9.674 1.00 0.00 C ATOM 1901 C LEU A 126 12.036 0.005 -9.637 1.00 0.00 C ATOM 1902 O LEU A 126 11.514 -0.985 -9.143 1.00 0.00 O ATOM 1903 CB LEU A 126 14.236 0.989 -8.613 1.00 0.00 C ATOM 1904 CG LEU A 126 13.348 2.068 -7.974 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.483 1.518 -6.836 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.166 3.211 -7.383 1.00 0.00 C ATOM 0 H LEU A 126 14.468 1.299 -11.100 1.00 0.00 H new ATOM 0 HA LEU A 126 13.900 -0.907 -9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 126 14.626 0.352 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.092 1.480 -9.077 1.00 0.00 H new ATOM 0 HG LEU A 126 12.720 2.424 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.875 2.322 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.832 0.733 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.125 1.108 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.495 3.949 -6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.832 2.822 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.756 3.681 -8.170 1.00 0.00 H new ATOM 1918 N ILE A 127 11.328 0.972 -10.221 1.00 0.00 N ATOM 1919 CA ILE A 127 9.878 0.968 -10.364 1.00 0.00 C ATOM 1920 C ILE A 127 9.423 -0.327 -11.044 1.00 0.00 C ATOM 1921 O ILE A 127 8.454 -0.925 -10.591 1.00 0.00 O ATOM 1922 CB ILE A 127 9.456 2.235 -11.150 1.00 0.00 C ATOM 1923 CG1 ILE A 127 9.444 3.477 -10.233 1.00 0.00 C ATOM 1924 CG2 ILE A 127 8.078 2.066 -11.794 1.00 0.00 C ATOM 1925 CD1 ILE A 127 9.322 4.813 -10.985 1.00 0.00 C ATOM 0 H ILE A 127 11.764 1.804 -10.619 1.00 0.00 H new ATOM 0 HA ILE A 127 9.391 0.997 -9.389 1.00 0.00 H new ATOM 0 HB ILE A 127 10.194 2.378 -11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 127 8.614 3.390 -9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.360 3.488 -9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 127 7.816 2.974 -12.336 1.00 0.00 H new ATOM 0 HG22 ILE A 127 8.101 1.224 -12.486 1.00 0.00 H new ATOM 0 HG23 ILE A 127 7.335 1.879 -11.019 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.321 5.635 -10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.166 4.926 -11.666 1.00 0.00 H new ATOM 0 HD13 ILE A 127 8.393 4.827 -11.554 1.00 0.00 H new ATOM 1937 N ALA A 128 10.110 -0.795 -12.089 1.00 0.00 N ATOM 1938 CA ALA A 128 9.636 -1.925 -12.890 1.00 0.00 C ATOM 1939 C ALA A 128 9.479 -3.196 -12.041 1.00 0.00 C ATOM 1940 O ALA A 128 8.646 -4.055 -12.333 1.00 0.00 O ATOM 1941 CB ALA A 128 10.584 -2.172 -14.069 1.00 0.00 C ATOM 0 H ALA A 128 11.000 -0.406 -12.401 1.00 0.00 H new ATOM 0 HA ALA A 128 8.650 -1.671 -13.278 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.221 -3.015 -14.657 1.00 0.00 H new ATOM 0 HB2 ALA A 128 10.624 -1.282 -14.697 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.582 -2.395 -13.693 1.00 0.00 H new ATOM 1947 N LYS A 129 10.281 -3.302 -10.980 1.00 0.00 N ATOM 1948 CA LYS A 129 10.297 -4.403 -10.029 1.00 0.00 C ATOM 1949 C LYS A 129 9.081 -4.386 -9.091 1.00 0.00 C ATOM 1950 O LYS A 129 8.759 -5.427 -8.518 1.00 0.00 O ATOM 1951 CB LYS A 129 11.590 -4.301 -9.214 1.00 0.00 C ATOM 1952 CG LYS A 129 12.842 -4.416 -10.100 1.00 0.00 C ATOM 1953 CD LYS A 129 14.117 -4.074 -9.321 1.00 0.00 C ATOM 1954 CE LYS A 129 15.233 -3.536 -10.234 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.626 -4.464 -11.323 1.00 0.00 N ATOM 0 H LYS A 129 10.969 -2.584 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 129 10.250 -5.342 -10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.609 -3.350 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.606 -5.088 -8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.917 -5.429 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.746 -3.746 -10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.885 -3.331 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.473 -4.964 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.905 -2.595 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.110 -3.315 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.907 -3.916 -12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.426 -5.050 -11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.821 -5.078 -11.564 1.00 0.00 H new ATOM 1969 N ILE A 130 8.406 -3.241 -8.932 1.00 0.00 N ATOM 1970 CA ILE A 130 7.388 -2.986 -7.929 1.00 0.00 C ATOM 1971 C ILE A 130 6.027 -2.511 -8.457 1.00 0.00 C ATOM 1972 O ILE A 130 5.029 -2.682 -7.753 1.00 0.00 O ATOM 1973 CB ILE A 130 7.964 -1.985 -6.907 1.00 0.00 C ATOM 1974 CG1 ILE A 130 8.582 -0.712 -7.506 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.970 -2.736 -6.014 1.00 0.00 C ATOM 1976 CD1 ILE A 130 9.316 0.182 -6.507 1.00 0.00 C ATOM 0 H ILE A 130 8.570 -2.433 -9.533 1.00 0.00 H new ATOM 0 HA ILE A 130 7.157 -3.948 -7.472 1.00 0.00 H new ATOM 0 HB ILE A 130 7.124 -1.605 -6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.279 -1.000 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.791 -0.130 -7.978 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.391 -2.047 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.461 -3.549 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.771 -3.144 -6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.716 1.054 -7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.622 0.507 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.133 -0.377 -6.051 1.00 0.00 H new ATOM 1988 N SER A 131 5.977 -1.941 -9.660 1.00 0.00 N ATOM 1989 CA SER A 131 4.756 -1.611 -10.396 1.00 0.00 C ATOM 1990 C SER A 131 3.715 -2.731 -10.278 1.00 0.00 C ATOM 1991 O SER A 131 4.050 -3.906 -10.548 1.00 0.00 O ATOM 1992 CB SER A 131 5.077 -1.361 -11.873 1.00 0.00 C ATOM 1993 OG SER A 131 5.939 -0.254 -12.028 1.00 0.00 O ATOM 1994 OXT SER A 131 2.552 -2.431 -9.940 1.00 0.00 O ATOM 0 H SER A 131 6.822 -1.685 -10.171 1.00 0.00 H new ATOM 0 HA SER A 131 4.339 -0.705 -9.957 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.541 -2.249 -12.302 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.153 -1.186 -12.424 1.00 0.00 H new ATOM 0 HG SER A 131 6.826 -0.479 -11.678 1.00 0.00 H new TER 2000 SER A 131