USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS : no HE2:sc= 0.177 K(o=-0.11,f=-1.6) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.0624 K(o=-0.11,f=-0.9) USER MOD Set 1.3: A 49 SER OG : rot -24:sc= -0.347 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 110:sc= -0.016 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0279 K(o=-0.028,f=-2.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 64:sc= 1.26 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 155:sc= -0.0266 (180deg=-0.965) USER MOD Single : A 32 GLN : amide:sc= 0.394 K(o=0.39,f=-3.6!) USER MOD Single : A 34 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.6) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.163 K(o=-0.16,f=-3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 56 CYS SG : rot -122:sc= 0.402 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.473 32.804 14.791 1.00 0.00 N ATOM 2 CA PRO A 1 17.977 33.766 15.793 1.00 0.00 C ATOM 3 C PRO A 1 19.496 33.702 15.960 1.00 0.00 C ATOM 4 O PRO A 1 20.118 32.726 15.535 1.00 0.00 O ATOM 5 CB PRO A 1 17.222 33.484 17.108 1.00 0.00 C ATOM 6 CG PRO A 1 16.141 32.471 16.732 1.00 0.00 C ATOM 7 CD PRO A 1 16.083 32.599 15.216 1.00 0.00 C ATOM 0 H2 PRO A 1 18.005 31.934 14.800 1.00 0.00 H new ATOM 0 H3 PRO A 1 17.529 33.178 13.844 1.00 0.00 H new ATOM 0 HA PRO A 1 17.787 34.787 15.462 1.00 0.00 H new ATOM 0 HB2 PRO A 1 17.891 33.083 17.869 1.00 0.00 H new ATOM 0 HB3 PRO A 1 16.785 34.395 17.516 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.405 31.461 17.044 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.184 32.708 17.196 1.00 0.00 H new ATOM 0 HD2 PRO A 1 15.661 31.703 14.761 1.00 0.00 H new ATOM 0 HD3 PRO A 1 15.452 33.436 14.916 1.00 0.00 H new ATOM 15 N LYS A 2 20.086 34.711 16.613 1.00 0.00 N ATOM 16 CA LYS A 2 21.507 34.724 16.993 1.00 0.00 C ATOM 17 C LYS A 2 21.673 34.845 18.512 1.00 0.00 C ATOM 18 O LYS A 2 21.131 35.755 19.142 1.00 0.00 O ATOM 19 CB LYS A 2 22.272 35.778 16.172 1.00 0.00 C ATOM 20 CG LYS A 2 21.980 37.239 16.545 1.00 0.00 C ATOM 21 CD LYS A 2 22.769 38.192 15.639 1.00 0.00 C ATOM 22 CE LYS A 2 22.716 39.639 16.140 1.00 0.00 C ATOM 23 NZ LYS A 2 21.390 40.269 15.964 1.00 0.00 N ATOM 0 H LYS A 2 19.585 35.553 16.897 1.00 0.00 H new ATOM 0 HA LYS A 2 21.964 33.767 16.740 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.341 35.598 16.286 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.035 35.635 15.118 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.913 37.438 16.451 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.246 37.415 17.587 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.807 37.865 15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 2 22.368 38.144 14.627 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.984 39.661 17.196 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.464 40.228 15.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.419 41.245 16.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.141 40.277 14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.676 39.728 16.492 1.00 0.00 H new ATOM 37 N SER A 3 22.387 33.893 19.100 1.00 0.00 N ATOM 38 CA SER A 3 22.506 33.672 20.541 1.00 0.00 C ATOM 39 C SER A 3 23.940 33.335 20.956 1.00 0.00 C ATOM 40 O SER A 3 24.754 32.935 20.126 1.00 0.00 O ATOM 41 CB SER A 3 21.554 32.549 20.954 1.00 0.00 C ATOM 42 OG SER A 3 21.212 32.747 22.301 1.00 0.00 O ATOM 0 H SER A 3 22.928 33.218 18.559 1.00 0.00 H new ATOM 0 HA SER A 3 22.238 34.597 21.052 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.661 32.556 20.329 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.029 31.577 20.820 1.00 0.00 H new ATOM 0 HG SER A 3 20.273 33.021 22.363 1.00 0.00 H new ATOM 48 N ARG A 4 24.276 33.473 22.242 1.00 0.00 N ATOM 49 CA ARG A 4 25.649 33.338 22.754 1.00 0.00 C ATOM 50 C ARG A 4 25.697 32.485 24.024 1.00 0.00 C ATOM 51 O ARG A 4 25.025 32.776 25.009 1.00 0.00 O ATOM 52 CB ARG A 4 26.227 34.749 22.938 1.00 0.00 C ATOM 53 CG ARG A 4 27.611 34.797 23.595 1.00 0.00 C ATOM 54 CD ARG A 4 28.014 36.257 23.830 1.00 0.00 C ATOM 55 NE ARG A 4 29.063 36.354 24.859 1.00 0.00 N ATOM 56 CZ ARG A 4 30.245 36.928 24.749 1.00 0.00 C ATOM 57 NH1 ARG A 4 30.684 37.417 23.632 1.00 0.00 N ATOM 58 NH2 ARG A 4 31.035 37.031 25.772 1.00 0.00 N ATOM 0 H ARG A 4 23.594 33.685 22.970 1.00 0.00 H new ATOM 0 HA ARG A 4 26.273 32.800 22.040 1.00 0.00 H new ATOM 0 HB2 ARG A 4 26.287 35.232 21.963 1.00 0.00 H new ATOM 0 HB3 ARG A 4 25.533 35.334 23.542 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.595 34.256 24.541 1.00 0.00 H new ATOM 0 HG3 ARG A 4 28.345 34.304 22.958 1.00 0.00 H new ATOM 0 HD2 ARG A 4 28.372 36.694 22.898 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.142 36.834 24.138 1.00 0.00 H new ATOM 0 HE ARG A 4 28.851 35.928 25.761 1.00 0.00 H new ATOM 0 HH11 ARG A 4 30.108 37.366 22.792 1.00 0.00 H new ATOM 0 HH12 ARG A 4 31.606 37.853 23.593 1.00 0.00 H new ATOM 0 HH21 ARG A 4 30.745 36.665 26.679 1.00 0.00 H new ATOM 0 HH22 ARG A 4 31.946 37.478 25.670 1.00 0.00 H new ATOM 72 N LEU A 5 26.530 31.453 23.983 1.00 0.00 N ATOM 73 CA LEU A 5 26.790 30.463 25.020 1.00 0.00 C ATOM 74 C LEU A 5 28.213 30.660 25.553 1.00 0.00 C ATOM 75 O LEU A 5 29.174 30.594 24.786 1.00 0.00 O ATOM 76 CB LEU A 5 26.591 29.069 24.374 1.00 0.00 C ATOM 77 CG LEU A 5 26.628 27.853 25.309 1.00 0.00 C ATOM 78 CD1 LEU A 5 26.114 26.607 24.594 1.00 0.00 C ATOM 79 CD2 LEU A 5 28.024 27.504 25.818 1.00 0.00 C ATOM 0 H LEU A 5 27.090 31.272 23.150 1.00 0.00 H new ATOM 0 HA LEU A 5 26.114 30.563 25.869 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.631 29.069 23.858 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.361 28.935 23.615 1.00 0.00 H new ATOM 0 HG LEU A 5 26.000 28.140 26.153 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.149 25.756 25.275 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.086 26.771 24.271 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.739 26.402 23.725 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.966 26.634 26.472 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.674 27.279 24.972 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.431 28.349 26.373 1.00 0.00 H new ATOM 91 N PHE A 6 28.353 30.832 26.865 1.00 0.00 N ATOM 92 CA PHE A 6 29.638 30.724 27.560 1.00 0.00 C ATOM 93 C PHE A 6 29.580 29.632 28.631 1.00 0.00 C ATOM 94 O PHE A 6 28.691 29.645 29.488 1.00 0.00 O ATOM 95 CB PHE A 6 30.012 32.081 28.156 1.00 0.00 C ATOM 96 CG PHE A 6 31.164 32.043 29.143 1.00 0.00 C ATOM 97 CD1 PHE A 6 32.490 32.023 28.678 1.00 0.00 C ATOM 98 CD2 PHE A 6 30.912 32.030 30.529 1.00 0.00 C ATOM 99 CE1 PHE A 6 33.559 32.063 29.588 1.00 0.00 C ATOM 100 CE2 PHE A 6 31.983 32.031 31.441 1.00 0.00 C ATOM 101 CZ PHE A 6 33.308 32.064 30.969 1.00 0.00 C ATOM 0 H PHE A 6 27.572 31.052 27.483 1.00 0.00 H new ATOM 0 HA PHE A 6 30.413 30.437 26.849 1.00 0.00 H new ATOM 0 HB2 PHE A 6 30.269 32.761 27.344 1.00 0.00 H new ATOM 0 HB3 PHE A 6 29.137 32.497 28.655 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.688 31.977 27.617 1.00 0.00 H new ATOM 0 HD2 PHE A 6 29.895 32.019 30.892 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.576 32.093 29.225 1.00 0.00 H new ATOM 0 HE2 PHE A 6 31.788 32.006 32.503 1.00 0.00 H new ATOM 0 HZ PHE A 6 34.131 32.090 31.668 1.00 0.00 H new ATOM 111 N ILE A 7 30.554 28.720 28.599 1.00 0.00 N ATOM 112 CA ILE A 7 30.872 27.824 29.714 1.00 0.00 C ATOM 113 C ILE A 7 32.064 28.421 30.462 1.00 0.00 C ATOM 114 O ILE A 7 33.049 28.794 29.823 1.00 0.00 O ATOM 115 CB ILE A 7 31.209 26.376 29.268 1.00 0.00 C ATOM 116 CG1 ILE A 7 30.316 25.803 28.143 1.00 0.00 C ATOM 117 CG2 ILE A 7 31.095 25.449 30.492 1.00 0.00 C ATOM 118 CD1 ILE A 7 30.894 26.042 26.740 1.00 0.00 C ATOM 0 H ILE A 7 31.153 28.581 27.786 1.00 0.00 H new ATOM 0 HA ILE A 7 29.988 27.746 30.347 1.00 0.00 H new ATOM 0 HB ILE A 7 32.217 26.422 28.856 1.00 0.00 H new ATOM 0 HG12 ILE A 7 30.186 24.732 28.299 1.00 0.00 H new ATOM 0 HG13 ILE A 7 29.327 26.256 28.205 1.00 0.00 H new ATOM 0 HG21 ILE A 7 31.329 24.426 30.197 1.00 0.00 H new ATOM 0 HG22 ILE A 7 31.796 25.774 31.261 1.00 0.00 H new ATOM 0 HG23 ILE A 7 30.080 25.490 30.886 1.00 0.00 H new ATOM 0 HD11 ILE A 7 30.223 25.618 25.993 1.00 0.00 H new ATOM 0 HD12 ILE A 7 30.998 27.113 26.567 1.00 0.00 H new ATOM 0 HD13 ILE A 7 31.871 25.565 26.663 1.00 0.00 H new ATOM 130 N GLY A 8 32.000 28.454 31.796 1.00 0.00 N ATOM 131 CA GLY A 8 33.160 28.695 32.653 1.00 0.00 C ATOM 132 C GLY A 8 34.208 27.576 32.564 1.00 0.00 C ATOM 133 O GLY A 8 34.248 26.817 31.599 1.00 0.00 O ATOM 0 H GLY A 8 31.133 28.313 32.314 1.00 0.00 H new ATOM 0 HA2 GLY A 8 33.622 29.642 32.374 1.00 0.00 H new ATOM 0 HA3 GLY A 8 32.828 28.794 33.686 1.00 0.00 H new ATOM 137 N ASN A 9 35.066 27.462 33.577 1.00 0.00 N ATOM 138 CA ASN A 9 36.241 26.581 33.571 1.00 0.00 C ATOM 139 C ASN A 9 35.878 25.076 33.650 1.00 0.00 C ATOM 140 O ASN A 9 36.065 24.422 34.677 1.00 0.00 O ATOM 141 CB ASN A 9 37.204 27.007 34.693 1.00 0.00 C ATOM 142 CG ASN A 9 37.748 28.423 34.610 1.00 0.00 C ATOM 143 OD1 ASN A 9 37.615 29.157 33.635 1.00 0.00 O ATOM 144 ND2 ASN A 9 38.394 28.864 35.659 1.00 0.00 N ATOM 0 H ASN A 9 34.965 27.989 34.444 1.00 0.00 H new ATOM 0 HA ASN A 9 36.742 26.696 32.610 1.00 0.00 H new ATOM 0 HB2 ASN A 9 36.690 26.893 35.647 1.00 0.00 H new ATOM 0 HB3 ASN A 9 38.047 26.316 34.701 1.00 0.00 H new ATOM 0 HD21 ASN A 9 38.780 29.808 35.660 1.00 0.00 H new ATOM 0 HD22 ASN A 9 38.511 28.264 36.475 1.00 0.00 H new ATOM 151 N LEU A 10 35.368 24.515 32.553 1.00 0.00 N ATOM 152 CA LEU A 10 35.099 23.088 32.354 1.00 0.00 C ATOM 153 C LEU A 10 35.706 22.542 31.041 1.00 0.00 C ATOM 154 O LEU A 10 36.227 21.427 31.087 1.00 0.00 O ATOM 155 CB LEU A 10 33.586 22.825 32.503 1.00 0.00 C ATOM 156 CG LEU A 10 33.181 21.348 32.338 1.00 0.00 C ATOM 157 CD1 LEU A 10 33.727 20.457 33.454 1.00 0.00 C ATOM 158 CD2 LEU A 10 31.659 21.229 32.328 1.00 0.00 C ATOM 0 H LEU A 10 35.118 25.072 31.736 1.00 0.00 H new ATOM 0 HA LEU A 10 35.609 22.520 33.132 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.264 23.171 33.485 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.051 23.421 31.764 1.00 0.00 H new ATOM 0 HG LEU A 10 33.609 21.009 31.395 1.00 0.00 H new ATOM 0 HD11 LEU A 10 33.410 19.428 33.286 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.816 20.505 33.458 1.00 0.00 H new ATOM 0 HD13 LEU A 10 33.345 20.802 34.415 1.00 0.00 H new ATOM 0 HD21 LEU A 10 31.377 20.183 32.211 1.00 0.00 H new ATOM 0 HD22 LEU A 10 31.258 21.610 33.267 1.00 0.00 H new ATOM 0 HD23 LEU A 10 31.254 21.809 31.499 1.00 0.00 H new ATOM 170 N PRO A 11 35.762 23.285 29.912 1.00 0.00 N ATOM 171 CA PRO A 11 36.542 22.929 28.713 1.00 0.00 C ATOM 172 C PRO A 11 38.079 22.906 28.889 1.00 0.00 C ATOM 173 O PRO A 11 38.819 23.363 28.018 1.00 0.00 O ATOM 174 CB PRO A 11 36.092 23.901 27.611 1.00 0.00 C ATOM 175 CG PRO A 11 34.698 24.323 28.053 1.00 0.00 C ATOM 176 CD PRO A 11 34.865 24.383 29.565 1.00 0.00 C ATOM 0 HA PRO A 11 36.335 21.890 28.459 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.763 24.756 27.532 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.074 23.419 26.634 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.409 25.287 27.634 1.00 0.00 H new ATOM 0 HG3 PRO A 11 33.937 23.603 27.752 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.283 25.341 29.874 1.00 0.00 H new ATOM 0 HD3 PRO A 11 33.904 24.277 30.069 1.00 0.00 H new ATOM 184 N LEU A 12 38.597 22.355 29.993 1.00 0.00 N ATOM 185 CA LEU A 12 40.032 22.204 30.259 1.00 0.00 C ATOM 186 C LEU A 12 40.714 21.178 29.333 1.00 0.00 C ATOM 187 O LEU A 12 41.943 21.184 29.243 1.00 0.00 O ATOM 188 CB LEU A 12 40.270 21.833 31.738 1.00 0.00 C ATOM 189 CG LEU A 12 40.125 23.006 32.725 1.00 0.00 C ATOM 190 CD1 LEU A 12 38.670 23.354 33.026 1.00 0.00 C ATOM 191 CD2 LEU A 12 40.775 22.673 34.065 1.00 0.00 C ATOM 0 H LEU A 12 38.013 21.992 30.747 1.00 0.00 H new ATOM 0 HA LEU A 12 40.491 23.170 30.047 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.567 21.049 32.020 1.00 0.00 H new ATOM 0 HB3 LEU A 12 41.271 21.414 31.837 1.00 0.00 H new ATOM 0 HG LEU A 12 40.612 23.851 32.237 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.633 24.188 33.727 1.00 0.00 H new ATOM 0 HD12 LEU A 12 38.164 23.634 32.102 1.00 0.00 H new ATOM 0 HD13 LEU A 12 38.172 22.489 33.464 1.00 0.00 H new ATOM 0 HD21 LEU A 12 40.659 23.517 34.745 1.00 0.00 H new ATOM 0 HD22 LEU A 12 40.295 21.793 34.494 1.00 0.00 H new ATOM 0 HD23 LEU A 12 41.835 22.471 33.915 1.00 0.00 H new ATOM 203 N LYS A 13 39.951 20.329 28.634 1.00 0.00 N ATOM 204 CA LYS A 13 40.425 19.423 27.570 1.00 0.00 C ATOM 205 C LYS A 13 40.228 20.039 26.182 1.00 0.00 C ATOM 206 O LYS A 13 39.469 20.993 26.007 1.00 0.00 O ATOM 207 CB LYS A 13 39.699 18.068 27.668 1.00 0.00 C ATOM 208 CG LYS A 13 39.940 17.373 29.017 1.00 0.00 C ATOM 209 CD LYS A 13 39.271 15.996 29.132 1.00 0.00 C ATOM 210 CE LYS A 13 37.751 16.069 28.925 1.00 0.00 C ATOM 211 NZ LYS A 13 37.034 15.037 29.704 1.00 0.00 N ATOM 0 H LYS A 13 38.947 20.248 28.797 1.00 0.00 H new ATOM 0 HA LYS A 13 41.494 19.264 27.711 1.00 0.00 H new ATOM 0 HB2 LYS A 13 38.629 18.221 27.527 1.00 0.00 H new ATOM 0 HB3 LYS A 13 40.038 17.418 26.861 1.00 0.00 H new ATOM 0 HG2 LYS A 13 41.013 17.259 29.170 1.00 0.00 H new ATOM 0 HG3 LYS A 13 39.570 18.014 29.817 1.00 0.00 H new ATOM 0 HD2 LYS A 13 39.704 15.321 28.394 1.00 0.00 H new ATOM 0 HD3 LYS A 13 39.482 15.573 30.114 1.00 0.00 H new ATOM 0 HE2 LYS A 13 37.393 17.056 29.216 1.00 0.00 H new ATOM 0 HE3 LYS A 13 37.523 15.947 27.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.011 15.122 29.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 37.356 14.093 29.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 37.229 15.168 30.717 1.00 0.00 H new ATOM 225 N ASN A 14 40.860 19.457 25.168 1.00 0.00 N ATOM 226 CA ASN A 14 40.633 19.795 23.765 1.00 0.00 C ATOM 227 C ASN A 14 39.166 19.532 23.361 1.00 0.00 C ATOM 228 O ASN A 14 38.641 18.430 23.549 1.00 0.00 O ATOM 229 CB ASN A 14 41.639 18.999 22.918 1.00 0.00 C ATOM 230 CG ASN A 14 41.674 19.391 21.454 1.00 0.00 C ATOM 231 OD1 ASN A 14 40.914 20.218 20.972 1.00 0.00 O ATOM 232 ND2 ASN A 14 42.591 18.824 20.712 1.00 0.00 N ATOM 0 H ASN A 14 41.557 18.724 25.299 1.00 0.00 H new ATOM 0 HA ASN A 14 40.795 20.859 23.594 1.00 0.00 H new ATOM 0 HB2 ASN A 14 42.635 19.130 23.341 1.00 0.00 H new ATOM 0 HB3 ASN A 14 41.399 17.938 22.992 1.00 0.00 H new ATOM 0 HD21 ASN A 14 42.674 19.072 19.726 1.00 0.00 H new ATOM 0 HD22 ASN A 14 43.222 18.135 21.120 1.00 0.00 H new ATOM 239 N VAL A 15 38.497 20.540 22.803 1.00 0.00 N ATOM 240 CA VAL A 15 37.139 20.456 22.240 1.00 0.00 C ATOM 241 C VAL A 15 37.173 21.055 20.838 1.00 0.00 C ATOM 242 O VAL A 15 37.541 22.219 20.677 1.00 0.00 O ATOM 243 CB VAL A 15 36.109 21.196 23.121 1.00 0.00 C ATOM 244 CG1 VAL A 15 34.686 21.046 22.565 1.00 0.00 C ATOM 245 CG2 VAL A 15 36.073 20.659 24.556 1.00 0.00 C ATOM 0 H VAL A 15 38.896 21.475 22.725 1.00 0.00 H new ATOM 0 HA VAL A 15 36.827 19.412 22.202 1.00 0.00 H new ATOM 0 HB VAL A 15 36.428 22.238 23.117 1.00 0.00 H new ATOM 0 HG11 VAL A 15 33.986 21.579 23.209 1.00 0.00 H new ATOM 0 HG12 VAL A 15 34.643 21.463 21.559 1.00 0.00 H new ATOM 0 HG13 VAL A 15 34.418 19.990 22.532 1.00 0.00 H new ATOM 0 HG21 VAL A 15 35.333 21.213 25.133 1.00 0.00 H new ATOM 0 HG22 VAL A 15 35.806 19.602 24.542 1.00 0.00 H new ATOM 0 HG23 VAL A 15 37.055 20.779 25.014 1.00 0.00 H new ATOM 255 N SER A 16 36.788 20.272 19.829 1.00 0.00 N ATOM 256 CA SER A 16 36.706 20.719 18.429 1.00 0.00 C ATOM 257 C SER A 16 35.263 21.030 18.018 1.00 0.00 C ATOM 258 O SER A 16 34.328 20.693 18.752 1.00 0.00 O ATOM 259 CB SER A 16 37.332 19.677 17.498 1.00 0.00 C ATOM 260 OG SER A 16 38.638 19.350 17.932 1.00 0.00 O ATOM 0 H SER A 16 36.520 19.296 19.958 1.00 0.00 H new ATOM 0 HA SER A 16 37.272 21.646 18.340 1.00 0.00 H new ATOM 0 HB2 SER A 16 36.713 18.780 17.477 1.00 0.00 H new ATOM 0 HB3 SER A 16 37.366 20.064 16.480 1.00 0.00 H new ATOM 0 HG SER A 16 39.025 18.682 17.329 1.00 0.00 H new ATOM 266 N LYS A 17 35.057 21.636 16.837 1.00 0.00 N ATOM 267 CA LYS A 17 33.719 22.050 16.359 1.00 0.00 C ATOM 268 C LYS A 17 32.712 20.890 16.360 1.00 0.00 C ATOM 269 O LYS A 17 31.572 21.072 16.776 1.00 0.00 O ATOM 270 CB LYS A 17 33.809 22.693 14.959 1.00 0.00 C ATOM 271 CG LYS A 17 34.701 23.945 14.901 1.00 0.00 C ATOM 272 CD LYS A 17 34.746 24.544 13.485 1.00 0.00 C ATOM 273 CE LYS A 17 35.483 25.890 13.418 1.00 0.00 C ATOM 274 NZ LYS A 17 36.899 25.797 13.836 1.00 0.00 N ATOM 0 H LYS A 17 35.810 21.854 16.184 1.00 0.00 H new ATOM 0 HA LYS A 17 33.349 22.796 17.063 1.00 0.00 H new ATOM 0 HB2 LYS A 17 34.192 21.954 14.255 1.00 0.00 H new ATOM 0 HB3 LYS A 17 32.805 22.959 14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 17 34.326 24.692 15.601 1.00 0.00 H new ATOM 0 HG3 LYS A 17 35.711 23.688 15.220 1.00 0.00 H new ATOM 0 HD2 LYS A 17 35.234 23.837 12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 17 33.727 24.677 13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 17 35.436 26.273 12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 17 34.969 26.611 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 37.343 26.735 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 36.950 25.459 14.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 37.401 25.132 13.214 1.00 0.00 H new ATOM 288 N GLU A 18 33.141 19.689 15.975 1.00 0.00 N ATOM 289 CA GLU A 18 32.307 18.483 15.967 1.00 0.00 C ATOM 290 C GLU A 18 31.987 17.947 17.370 1.00 0.00 C ATOM 291 O GLU A 18 30.906 17.393 17.552 1.00 0.00 O ATOM 292 CB GLU A 18 32.960 17.401 15.088 1.00 0.00 C ATOM 293 CG GLU A 18 32.163 16.092 15.081 1.00 0.00 C ATOM 294 CD GLU A 18 32.438 15.251 13.836 1.00 0.00 C ATOM 295 OE1 GLU A 18 33.596 14.853 13.580 1.00 0.00 O ATOM 296 OE2 GLU A 18 31.464 14.962 13.101 1.00 0.00 O ATOM 0 H GLU A 18 34.094 19.521 15.654 1.00 0.00 H new ATOM 0 HA GLU A 18 31.344 18.764 15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.051 17.773 14.067 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.970 17.206 15.448 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.413 15.513 15.970 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.098 16.318 15.136 1.00 0.00 H new ATOM 303 N ASP A 19 32.861 18.126 18.369 1.00 0.00 N ATOM 304 CA ASP A 19 32.615 17.623 19.729 1.00 0.00 C ATOM 305 C ASP A 19 31.475 18.389 20.401 1.00 0.00 C ATOM 306 O ASP A 19 30.476 17.797 20.807 1.00 0.00 O ATOM 307 CB ASP A 19 33.874 17.707 20.600 1.00 0.00 C ATOM 308 CG ASP A 19 34.968 16.730 20.186 1.00 0.00 C ATOM 309 OD1 ASP A 19 34.686 15.514 20.033 1.00 0.00 O ATOM 310 OD2 ASP A 19 36.129 17.182 20.046 1.00 0.00 O ATOM 0 H ASP A 19 33.748 18.617 18.261 1.00 0.00 H new ATOM 0 HA ASP A 19 32.332 16.575 19.632 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.269 18.722 20.556 1.00 0.00 H new ATOM 0 HB3 ASP A 19 33.601 17.516 21.638 1.00 0.00 H new ATOM 315 N LEU A 20 31.582 19.720 20.449 1.00 0.00 N ATOM 316 CA LEU A 20 30.509 20.578 20.960 1.00 0.00 C ATOM 317 C LEU A 20 29.232 20.458 20.115 1.00 0.00 C ATOM 318 O LEU A 20 28.131 20.508 20.659 1.00 0.00 O ATOM 319 CB LEU A 20 31.025 22.019 21.119 1.00 0.00 C ATOM 320 CG LEU A 20 31.503 22.690 19.816 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.393 23.459 19.093 1.00 0.00 C ATOM 322 CD2 LEU A 20 32.635 23.666 20.115 1.00 0.00 C ATOM 0 H LEU A 20 32.408 20.230 20.137 1.00 0.00 H new ATOM 0 HA LEU A 20 30.215 20.237 21.953 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.231 22.627 21.552 1.00 0.00 H new ATOM 0 HB3 LEU A 20 31.850 22.017 21.832 1.00 0.00 H new ATOM 0 HG LEU A 20 31.837 21.882 19.165 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.794 23.908 18.184 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.585 22.774 18.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.009 24.243 19.746 1.00 0.00 H new ATOM 0 HD21 LEU A 20 32.966 24.135 19.188 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.281 24.433 20.804 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.469 23.129 20.567 1.00 0.00 H new ATOM 334 N PHE A 21 29.354 20.229 18.802 1.00 0.00 N ATOM 335 CA PHE A 21 28.195 20.003 17.943 1.00 0.00 C ATOM 336 C PHE A 21 27.486 18.688 18.292 1.00 0.00 C ATOM 337 O PHE A 21 26.283 18.715 18.541 1.00 0.00 O ATOM 338 CB PHE A 21 28.614 20.081 16.472 1.00 0.00 C ATOM 339 CG PHE A 21 27.477 19.937 15.485 1.00 0.00 C ATOM 340 CD1 PHE A 21 26.726 21.065 15.101 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.181 18.681 14.926 1.00 0.00 C ATOM 342 CE1 PHE A 21 25.690 20.941 14.157 1.00 0.00 C ATOM 343 CE2 PHE A 21 26.141 18.561 13.989 1.00 0.00 C ATOM 344 CZ PHE A 21 25.399 19.686 13.600 1.00 0.00 C ATOM 0 H PHE A 21 30.249 20.196 18.314 1.00 0.00 H new ATOM 0 HA PHE A 21 27.463 20.791 18.118 1.00 0.00 H new ATOM 0 HB2 PHE A 21 29.109 21.037 16.299 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.349 19.301 16.275 1.00 0.00 H new ATOM 0 HD1 PHE A 21 26.946 22.030 15.533 1.00 0.00 H new ATOM 0 HD2 PHE A 21 27.752 17.811 15.216 1.00 0.00 H new ATOM 0 HE1 PHE A 21 25.120 21.810 13.862 1.00 0.00 H new ATOM 0 HE2 PHE A 21 25.911 17.595 13.565 1.00 0.00 H new ATOM 0 HZ PHE A 21 24.606 19.587 12.874 1.00 0.00 H new ATOM 354 N ARG A 22 28.187 17.547 18.386 1.00 0.00 N ATOM 355 CA ARG A 22 27.557 16.245 18.696 1.00 0.00 C ATOM 356 C ARG A 22 26.989 16.188 20.119 1.00 0.00 C ATOM 357 O ARG A 22 25.889 15.665 20.295 1.00 0.00 O ATOM 358 CB ARG A 22 28.500 15.062 18.378 1.00 0.00 C ATOM 359 CG ARG A 22 29.674 14.938 19.356 1.00 0.00 C ATOM 360 CD ARG A 22 30.676 13.821 19.037 1.00 0.00 C ATOM 361 NE ARG A 22 31.856 13.937 19.915 1.00 0.00 N ATOM 362 CZ ARG A 22 31.885 13.770 21.225 1.00 0.00 C ATOM 363 NH1 ARG A 22 30.894 13.260 21.901 1.00 0.00 N ATOM 364 NH2 ARG A 22 32.931 14.162 21.889 1.00 0.00 N ATOM 0 H ARG A 22 29.197 17.496 18.252 1.00 0.00 H new ATOM 0 HA ARG A 22 26.697 16.145 18.033 1.00 0.00 H new ATOM 0 HB2 ARG A 22 27.926 14.136 18.392 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.890 15.180 17.367 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.208 15.888 19.379 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.276 14.772 20.357 1.00 0.00 H new ATOM 0 HD2 ARG A 22 30.204 12.848 19.174 1.00 0.00 H new ATOM 0 HD3 ARG A 22 30.982 13.883 17.993 1.00 0.00 H new ATOM 0 HE ARG A 22 32.741 14.170 19.464 1.00 0.00 H new ATOM 0 HH11 ARG A 22 30.044 12.968 21.418 1.00 0.00 H new ATOM 0 HH12 ARG A 22 30.968 13.153 22.913 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.715 14.592 21.398 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.968 14.040 22.901 1.00 0.00 H new ATOM 378 N ILE A 23 27.667 16.769 21.120 1.00 0.00 N ATOM 379 CA ILE A 23 27.167 16.732 22.507 1.00 0.00 C ATOM 380 C ILE A 23 25.950 17.644 22.725 1.00 0.00 C ATOM 381 O ILE A 23 25.093 17.307 23.541 1.00 0.00 O ATOM 382 CB ILE A 23 28.260 16.969 23.573 1.00 0.00 C ATOM 383 CG1 ILE A 23 28.898 18.376 23.544 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.349 15.887 23.503 1.00 0.00 C ATOM 385 CD1 ILE A 23 28.943 19.020 24.928 1.00 0.00 C ATOM 0 H ILE A 23 28.551 17.264 21.001 1.00 0.00 H new ATOM 0 HA ILE A 23 26.829 15.706 22.651 1.00 0.00 H new ATOM 0 HB ILE A 23 27.736 16.902 24.527 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.910 18.306 23.145 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.332 19.015 22.866 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.104 16.081 24.265 1.00 0.00 H new ATOM 0 HG22 ILE A 23 28.901 14.908 23.676 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.815 15.903 22.518 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.400 20.007 24.855 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.930 19.117 25.317 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.532 18.396 25.601 1.00 0.00 H new ATOM 397 N PHE A 24 25.819 18.737 21.963 1.00 0.00 N ATOM 398 CA PHE A 24 24.672 19.651 22.042 1.00 0.00 C ATOM 399 C PHE A 24 23.625 19.463 20.926 1.00 0.00 C ATOM 400 O PHE A 24 22.600 20.137 20.965 1.00 0.00 O ATOM 401 CB PHE A 24 25.170 21.107 22.113 1.00 0.00 C ATOM 402 CG PHE A 24 26.076 21.460 23.286 1.00 0.00 C ATOM 403 CD1 PHE A 24 25.765 21.032 24.591 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.200 22.287 23.090 1.00 0.00 C ATOM 405 CE1 PHE A 24 26.551 21.445 25.681 1.00 0.00 C ATOM 406 CE2 PHE A 24 27.997 22.678 24.181 1.00 0.00 C ATOM 407 CZ PHE A 24 27.669 22.268 25.482 1.00 0.00 C ATOM 0 H PHE A 24 26.512 19.014 21.268 1.00 0.00 H new ATOM 0 HA PHE A 24 24.139 19.399 22.959 1.00 0.00 H new ATOM 0 HB2 PHE A 24 25.705 21.330 21.190 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.301 21.764 22.144 1.00 0.00 H new ATOM 0 HD1 PHE A 24 24.918 20.383 24.755 1.00 0.00 H new ATOM 0 HD2 PHE A 24 27.451 22.623 22.095 1.00 0.00 H new ATOM 0 HE1 PHE A 24 26.292 21.126 26.680 1.00 0.00 H new ATOM 0 HE2 PHE A 24 28.866 23.297 24.016 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.271 22.583 26.321 1.00 0.00 H new ATOM 417 N SER A 25 23.825 18.551 19.962 1.00 0.00 N ATOM 418 CA SER A 25 22.935 18.366 18.794 1.00 0.00 C ATOM 419 C SER A 25 21.440 18.245 19.147 1.00 0.00 C ATOM 420 O SER A 25 20.651 19.023 18.604 1.00 0.00 O ATOM 421 CB SER A 25 23.359 17.158 17.945 1.00 0.00 C ATOM 422 OG SER A 25 24.477 17.459 17.137 1.00 0.00 O ATOM 0 H SER A 25 24.619 17.910 19.967 1.00 0.00 H new ATOM 0 HA SER A 25 23.050 19.283 18.217 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.597 16.319 18.598 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.527 16.845 17.314 1.00 0.00 H new ATOM 0 HG SER A 25 25.248 17.662 17.707 1.00 0.00 H new ATOM 428 N PRO A 26 21.004 17.362 20.071 1.00 0.00 N ATOM 429 CA PRO A 26 19.596 17.308 20.477 1.00 0.00 C ATOM 430 C PRO A 26 19.173 18.447 21.414 1.00 0.00 C ATOM 431 O PRO A 26 17.980 18.732 21.550 1.00 0.00 O ATOM 432 CB PRO A 26 19.422 15.949 21.150 1.00 0.00 C ATOM 433 CG PRO A 26 20.813 15.614 21.688 1.00 0.00 C ATOM 434 CD PRO A 26 21.754 16.267 20.679 1.00 0.00 C ATOM 0 HA PRO A 26 18.954 17.433 19.605 1.00 0.00 H new ATOM 0 HB2 PRO A 26 18.685 15.994 21.952 1.00 0.00 H new ATOM 0 HB3 PRO A 26 19.077 15.196 20.442 1.00 0.00 H new ATOM 0 HG2 PRO A 26 20.962 16.013 22.691 1.00 0.00 H new ATOM 0 HG3 PRO A 26 20.972 14.537 21.746 1.00 0.00 H new ATOM 0 HD2 PRO A 26 22.654 16.637 21.169 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.075 15.549 19.924 1.00 0.00 H new ATOM 442 N TYR A 27 20.122 19.105 22.079 1.00 0.00 N ATOM 443 CA TYR A 27 19.849 20.142 23.079 1.00 0.00 C ATOM 444 C TYR A 27 19.700 21.537 22.450 1.00 0.00 C ATOM 445 O TYR A 27 19.092 22.412 23.070 1.00 0.00 O ATOM 446 CB TYR A 27 20.946 20.127 24.160 1.00 0.00 C ATOM 447 CG TYR A 27 21.242 18.802 24.861 1.00 0.00 C ATOM 448 CD1 TYR A 27 20.360 17.701 24.793 1.00 0.00 C ATOM 449 CD2 TYR A 27 22.435 18.672 25.599 1.00 0.00 C ATOM 450 CE1 TYR A 27 20.694 16.475 25.395 1.00 0.00 C ATOM 451 CE2 TYR A 27 22.772 17.449 26.213 1.00 0.00 C ATOM 452 CZ TYR A 27 21.904 16.342 26.099 1.00 0.00 C ATOM 453 OH TYR A 27 22.215 15.155 26.678 1.00 0.00 O ATOM 0 H TYR A 27 21.117 18.932 21.938 1.00 0.00 H new ATOM 0 HA TYR A 27 18.890 19.914 23.545 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.871 20.477 23.702 1.00 0.00 H new ATOM 0 HB3 TYR A 27 20.673 20.855 24.924 1.00 0.00 H new ATOM 0 HD1 TYR A 27 19.419 17.802 24.273 1.00 0.00 H new ATOM 0 HD2 TYR A 27 23.098 19.519 25.695 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.020 15.634 25.317 1.00 0.00 H new ATOM 0 HE2 TYR A 27 23.693 17.359 26.770 1.00 0.00 H new ATOM 0 HH TYR A 27 23.084 15.227 27.125 1.00 0.00 H new ATOM 463 N GLY A 28 20.212 21.746 21.227 1.00 0.00 N ATOM 464 CA GLY A 28 20.225 23.063 20.603 1.00 0.00 C ATOM 465 C GLY A 28 20.451 23.152 19.086 1.00 0.00 C ATOM 466 O GLY A 28 20.676 22.148 18.409 1.00 0.00 O ATOM 0 H GLY A 28 20.623 21.009 20.654 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.273 23.545 20.825 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.002 23.653 21.089 1.00 0.00 H new ATOM 470 N HIS A 29 20.338 24.371 18.538 1.00 0.00 N ATOM 471 CA HIS A 29 20.312 24.638 17.087 1.00 0.00 C ATOM 472 C HIS A 29 21.573 25.311 16.492 1.00 0.00 C ATOM 473 O HIS A 29 21.694 25.309 15.268 1.00 0.00 O ATOM 474 CB HIS A 29 19.013 25.389 16.744 1.00 0.00 C ATOM 475 CG HIS A 29 17.765 24.540 16.856 1.00 0.00 C ATOM 476 ND1 HIS A 29 17.047 24.303 18.028 1.00 0.00 N ATOM 477 CD2 HIS A 29 17.131 23.904 15.829 1.00 0.00 C ATOM 478 CE1 HIS A 29 15.968 23.585 17.676 1.00 0.00 C ATOM 479 NE2 HIS A 29 16.011 23.303 16.364 1.00 0.00 N ATOM 0 H HIS A 29 20.260 25.218 19.101 1.00 0.00 H new ATOM 0 HA HIS A 29 20.328 23.666 16.594 1.00 0.00 H new ATOM 0 HB2 HIS A 29 18.916 26.249 17.407 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.087 25.777 15.728 1.00 0.00 H new ATOM 0 HD1 HIS A 29 17.293 24.614 18.968 1.00 0.00 H new ATOM 0 HD2 HIS A 29 17.446 23.876 14.796 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.181 23.279 18.350 1.00 0.00 H new ATOM 487 N ILE A 30 22.542 25.751 17.318 1.00 0.00 N ATOM 488 CA ILE A 30 23.948 26.120 16.971 1.00 0.00 C ATOM 489 C ILE A 30 24.151 27.303 15.983 1.00 0.00 C ATOM 490 O ILE A 30 23.285 27.594 15.169 1.00 0.00 O ATOM 491 CB ILE A 30 24.739 24.836 16.575 1.00 0.00 C ATOM 492 CG1 ILE A 30 25.974 24.565 17.465 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.104 24.761 15.083 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.124 25.576 17.393 1.00 0.00 C ATOM 0 H ILE A 30 22.362 25.870 18.315 1.00 0.00 H new ATOM 0 HA ILE A 30 24.367 26.549 17.881 1.00 0.00 H new ATOM 0 HB ILE A 30 24.029 24.031 16.764 1.00 0.00 H new ATOM 0 HG12 ILE A 30 25.638 24.508 18.500 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.370 23.584 17.204 1.00 0.00 H new ATOM 0 HG21 ILE A 30 25.652 23.839 14.888 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.193 24.775 14.484 1.00 0.00 H new ATOM 0 HG23 ILE A 30 25.726 25.616 14.817 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.924 25.266 18.065 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.505 25.622 16.373 1.00 0.00 H new ATOM 0 HD13 ILE A 30 26.762 26.560 17.690 1.00 0.00 H new ATOM 506 N MET A 31 25.309 27.983 16.026 1.00 0.00 N ATOM 507 CA MET A 31 25.795 28.910 14.981 1.00 0.00 C ATOM 508 C MET A 31 27.308 28.779 14.724 1.00 0.00 C ATOM 509 O MET A 31 27.697 28.410 13.616 1.00 0.00 O ATOM 510 CB MET A 31 25.476 30.391 15.291 1.00 0.00 C ATOM 511 CG MET A 31 24.038 30.860 15.057 1.00 0.00 C ATOM 512 SD MET A 31 23.694 31.460 13.384 1.00 0.00 S ATOM 513 CE MET A 31 23.274 29.927 12.527 1.00 0.00 C ATOM 0 H MET A 31 25.955 27.903 16.811 1.00 0.00 H new ATOM 0 HA MET A 31 25.253 28.612 14.084 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.727 30.579 16.335 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.137 31.013 14.687 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.362 30.034 15.277 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.811 31.656 15.766 1.00 0.00 H new ATOM 0 HE1 MET A 31 22.636 30.151 11.672 1.00 0.00 H new ATOM 0 HE2 MET A 31 24.187 29.442 12.181 1.00 0.00 H new ATOM 0 HE3 MET A 31 22.746 29.261 13.210 1.00 0.00 H new ATOM 523 N GLN A 32 28.165 29.107 15.700 1.00 0.00 N ATOM 524 CA GLN A 32 29.603 29.371 15.486 1.00 0.00 C ATOM 525 C GLN A 32 30.448 29.060 16.739 1.00 0.00 C ATOM 526 O GLN A 32 29.909 28.996 17.836 1.00 0.00 O ATOM 527 CB GLN A 32 29.756 30.841 15.034 1.00 0.00 C ATOM 528 CG GLN A 32 31.157 31.241 14.550 1.00 0.00 C ATOM 529 CD GLN A 32 31.704 30.263 13.521 1.00 0.00 C ATOM 530 OE1 GLN A 32 32.552 29.431 13.819 1.00 0.00 O ATOM 531 NE2 GLN A 32 31.186 30.267 12.319 1.00 0.00 N ATOM 0 H GLN A 32 27.880 29.199 16.675 1.00 0.00 H new ATOM 0 HA GLN A 32 29.984 28.705 14.711 1.00 0.00 H new ATOM 0 HB2 GLN A 32 29.045 31.032 14.230 1.00 0.00 H new ATOM 0 HB3 GLN A 32 29.479 31.489 15.865 1.00 0.00 H new ATOM 0 HG2 GLN A 32 31.119 32.240 14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 32 31.835 31.288 15.402 1.00 0.00 H new ATOM 0 HE21 GLN A 32 30.480 30.960 12.070 1.00 0.00 H new ATOM 0 HE22 GLN A 32 31.489 29.577 11.631 1.00 0.00 H new ATOM 540 N ILE A 33 31.763 28.853 16.603 1.00 0.00 N ATOM 541 CA ILE A 33 32.655 28.378 17.678 1.00 0.00 C ATOM 542 C ILE A 33 33.780 29.390 17.960 1.00 0.00 C ATOM 543 O ILE A 33 34.326 29.971 17.018 1.00 0.00 O ATOM 544 CB ILE A 33 33.239 26.991 17.305 1.00 0.00 C ATOM 545 CG1 ILE A 33 32.160 25.901 17.086 1.00 0.00 C ATOM 546 CG2 ILE A 33 34.195 26.485 18.403 1.00 0.00 C ATOM 547 CD1 ILE A 33 31.488 25.873 15.708 1.00 0.00 C ATOM 0 H ILE A 33 32.252 29.014 15.723 1.00 0.00 H new ATOM 0 HA ILE A 33 32.070 28.279 18.592 1.00 0.00 H new ATOM 0 HB ILE A 33 33.764 27.150 16.363 1.00 0.00 H new ATOM 0 HG12 ILE A 33 32.617 24.927 17.263 1.00 0.00 H new ATOM 0 HG13 ILE A 33 31.385 26.031 17.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.592 25.510 18.119 1.00 0.00 H new ATOM 0 HG22 ILE A 33 35.017 27.191 18.523 1.00 0.00 H new ATOM 0 HG23 ILE A 33 33.653 26.396 19.344 1.00 0.00 H new ATOM 0 HD11 ILE A 33 30.753 25.068 15.678 1.00 0.00 H new ATOM 0 HD12 ILE A 33 30.991 26.826 15.526 1.00 0.00 H new ATOM 0 HD13 ILE A 33 32.242 25.705 14.939 1.00 0.00 H new ATOM 559 N ASN A 34 34.179 29.552 19.230 1.00 0.00 N ATOM 560 CA ASN A 34 35.460 30.161 19.618 1.00 0.00 C ATOM 561 C ASN A 34 35.923 29.709 21.027 1.00 0.00 C ATOM 562 O ASN A 34 35.506 30.278 22.039 1.00 0.00 O ATOM 563 CB ASN A 34 35.308 31.690 19.545 1.00 0.00 C ATOM 564 CG ASN A 34 36.608 32.428 19.783 1.00 0.00 C ATOM 565 OD1 ASN A 34 37.674 31.855 19.970 1.00 0.00 O ATOM 566 ND2 ASN A 34 36.548 33.730 19.766 1.00 0.00 N ATOM 0 H ASN A 34 33.614 29.260 20.027 1.00 0.00 H new ATOM 0 HA ASN A 34 36.235 29.828 18.928 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.916 31.964 18.566 1.00 0.00 H new ATOM 0 HB3 ASN A 34 34.574 32.012 20.284 1.00 0.00 H new ATOM 0 HD21 ASN A 34 37.394 34.281 19.909 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.655 34.197 19.609 1.00 0.00 H new ATOM 573 N ILE A 35 36.812 28.712 21.114 1.00 0.00 N ATOM 574 CA ILE A 35 37.298 28.154 22.398 1.00 0.00 C ATOM 575 C ILE A 35 38.773 28.510 22.649 1.00 0.00 C ATOM 576 O ILE A 35 39.608 28.356 21.751 1.00 0.00 O ATOM 577 CB ILE A 35 37.015 26.632 22.470 1.00 0.00 C ATOM 578 CG1 ILE A 35 35.482 26.400 22.465 1.00 0.00 C ATOM 579 CG2 ILE A 35 37.660 25.989 23.713 1.00 0.00 C ATOM 580 CD1 ILE A 35 35.041 24.934 22.538 1.00 0.00 C ATOM 0 H ILE A 35 37.221 28.262 20.295 1.00 0.00 H new ATOM 0 HA ILE A 35 36.742 28.618 23.213 1.00 0.00 H new ATOM 0 HB ILE A 35 37.461 26.154 21.598 1.00 0.00 H new ATOM 0 HG12 ILE A 35 35.047 26.935 23.309 1.00 0.00 H new ATOM 0 HG13 ILE A 35 35.067 26.842 21.559 1.00 0.00 H new ATOM 0 HG21 ILE A 35 37.439 24.922 23.727 1.00 0.00 H new ATOM 0 HG22 ILE A 35 38.740 26.135 23.679 1.00 0.00 H new ATOM 0 HG23 ILE A 35 37.259 26.455 24.613 1.00 0.00 H new ATOM 0 HD11 ILE A 35 33.952 24.881 22.529 1.00 0.00 H new ATOM 0 HD12 ILE A 35 35.438 24.391 21.680 1.00 0.00 H new ATOM 0 HD13 ILE A 35 35.418 24.486 23.457 1.00 0.00 H new ATOM 592 N LYS A 36 39.093 28.961 23.871 1.00 0.00 N ATOM 593 CA LYS A 36 40.434 29.264 24.411 1.00 0.00 C ATOM 594 C LYS A 36 40.420 29.101 25.937 1.00 0.00 C ATOM 595 O LYS A 36 39.355 29.162 26.544 1.00 0.00 O ATOM 596 CB LYS A 36 40.845 30.717 24.102 1.00 0.00 C ATOM 597 CG LYS A 36 40.966 31.023 22.604 1.00 0.00 C ATOM 598 CD LYS A 36 41.577 32.394 22.301 1.00 0.00 C ATOM 599 CE LYS A 36 40.742 33.523 22.905 1.00 0.00 C ATOM 600 NZ LYS A 36 41.363 34.834 22.637 1.00 0.00 N ATOM 0 H LYS A 36 38.366 29.138 24.565 1.00 0.00 H new ATOM 0 HA LYS A 36 41.141 28.578 23.945 1.00 0.00 H new ATOM 0 HB2 LYS A 36 40.113 31.393 24.543 1.00 0.00 H new ATOM 0 HB3 LYS A 36 41.801 30.924 24.584 1.00 0.00 H new ATOM 0 HG2 LYS A 36 41.576 30.252 22.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 39.976 30.968 22.150 1.00 0.00 H new ATOM 0 HD2 LYS A 36 42.591 32.438 22.698 1.00 0.00 H new ATOM 0 HD3 LYS A 36 41.650 32.531 21.222 1.00 0.00 H new ATOM 0 HE2 LYS A 36 39.735 33.500 22.488 1.00 0.00 H new ATOM 0 HE3 LYS A 36 40.645 33.374 23.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 40.780 35.586 23.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 42.314 34.860 23.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 41.433 34.981 21.610 1.00 0.00 H new ATOM 614 N ASN A 37 41.598 28.990 26.557 1.00 0.00 N ATOM 615 CA ASN A 37 41.762 28.862 28.012 1.00 0.00 C ATOM 616 C ASN A 37 41.017 27.632 28.590 1.00 0.00 C ATOM 617 O ASN A 37 40.710 26.689 27.863 1.00 0.00 O ATOM 618 CB ASN A 37 41.371 30.215 28.649 1.00 0.00 C ATOM 619 CG ASN A 37 41.976 30.418 30.020 1.00 0.00 C ATOM 620 OD1 ASN A 37 41.360 30.151 31.043 1.00 0.00 O ATOM 621 ND2 ASN A 37 43.220 30.811 30.058 1.00 0.00 N ATOM 0 H ASN A 37 42.485 28.986 26.053 1.00 0.00 H new ATOM 0 HA ASN A 37 42.802 28.654 28.264 1.00 0.00 H new ATOM 0 HB2 ASN A 37 41.690 31.025 27.993 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.285 30.275 28.724 1.00 0.00 H new ATOM 0 HD21 ASN A 37 43.699 30.901 30.954 1.00 0.00 H new ATOM 0 HD22 ASN A 37 43.713 31.028 29.192 1.00 0.00 H new ATOM 628 N ALA A 38 40.731 27.615 29.893 1.00 0.00 N ATOM 629 CA ALA A 38 39.932 26.586 30.564 1.00 0.00 C ATOM 630 C ALA A 38 38.418 26.677 30.272 1.00 0.00 C ATOM 631 O ALA A 38 37.673 25.766 30.627 1.00 0.00 O ATOM 632 CB ALA A 38 40.207 26.731 32.066 1.00 0.00 C ATOM 0 H ALA A 38 41.059 28.340 30.531 1.00 0.00 H new ATOM 0 HA ALA A 38 40.224 25.607 30.184 1.00 0.00 H new ATOM 0 HB1 ALA A 38 39.633 25.984 32.615 1.00 0.00 H new ATOM 0 HB2 ALA A 38 41.270 26.584 32.257 1.00 0.00 H new ATOM 0 HB3 ALA A 38 39.913 27.728 32.395 1.00 0.00 H new ATOM 638 N PHE A 39 37.961 27.781 29.674 1.00 0.00 N ATOM 639 CA PHE A 39 36.558 28.092 29.382 1.00 0.00 C ATOM 640 C PHE A 39 36.223 27.890 27.891 1.00 0.00 C ATOM 641 O PHE A 39 37.033 27.367 27.126 1.00 0.00 O ATOM 642 CB PHE A 39 36.259 29.508 29.915 1.00 0.00 C ATOM 643 CG PHE A 39 37.222 30.613 29.515 1.00 0.00 C ATOM 644 CD1 PHE A 39 37.319 31.036 28.175 1.00 0.00 C ATOM 645 CD2 PHE A 39 38.012 31.239 30.496 1.00 0.00 C ATOM 646 CE1 PHE A 39 38.213 32.060 27.819 1.00 0.00 C ATOM 647 CE2 PHE A 39 38.902 32.267 30.141 1.00 0.00 C ATOM 648 CZ PHE A 39 39.000 32.682 28.803 1.00 0.00 C ATOM 0 H PHE A 39 38.592 28.520 29.364 1.00 0.00 H new ATOM 0 HA PHE A 39 35.896 27.394 29.895 1.00 0.00 H new ATOM 0 HB2 PHE A 39 35.261 29.792 29.582 1.00 0.00 H new ATOM 0 HB3 PHE A 39 36.230 29.461 31.004 1.00 0.00 H new ATOM 0 HD1 PHE A 39 36.704 30.572 27.418 1.00 0.00 H new ATOM 0 HD2 PHE A 39 37.934 30.928 31.527 1.00 0.00 H new ATOM 0 HE1 PHE A 39 38.295 32.369 26.788 1.00 0.00 H new ATOM 0 HE2 PHE A 39 39.511 32.738 30.898 1.00 0.00 H new ATOM 0 HZ PHE A 39 39.678 33.477 28.531 1.00 0.00 H new ATOM 658 N GLY A 40 35.029 28.287 27.446 1.00 0.00 N ATOM 659 CA GLY A 40 34.701 28.272 26.016 1.00 0.00 C ATOM 660 C GLY A 40 33.501 29.136 25.640 1.00 0.00 C ATOM 661 O GLY A 40 32.534 29.223 26.398 1.00 0.00 O ATOM 0 H GLY A 40 34.277 28.621 28.049 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.570 28.611 25.452 1.00 0.00 H new ATOM 0 HA3 GLY A 40 34.504 27.244 25.711 1.00 0.00 H new ATOM 665 N PHE A 41 33.552 29.734 24.445 1.00 0.00 N ATOM 666 CA PHE A 41 32.442 30.474 23.846 1.00 0.00 C ATOM 667 C PHE A 41 31.935 29.764 22.587 1.00 0.00 C ATOM 668 O PHE A 41 32.707 29.287 21.749 1.00 0.00 O ATOM 669 CB PHE A 41 32.834 31.921 23.518 1.00 0.00 C ATOM 670 CG PHE A 41 33.346 32.739 24.684 1.00 0.00 C ATOM 671 CD1 PHE A 41 34.702 32.663 25.046 1.00 0.00 C ATOM 672 CD2 PHE A 41 32.480 33.597 25.389 1.00 0.00 C ATOM 673 CE1 PHE A 41 35.194 33.432 26.112 1.00 0.00 C ATOM 674 CE2 PHE A 41 32.973 34.361 26.461 1.00 0.00 C ATOM 675 CZ PHE A 41 34.327 34.273 26.825 1.00 0.00 C ATOM 0 H PHE A 41 34.385 29.715 23.857 1.00 0.00 H new ATOM 0 HA PHE A 41 31.639 30.505 24.582 1.00 0.00 H new ATOM 0 HB2 PHE A 41 33.601 31.904 22.744 1.00 0.00 H new ATOM 0 HB3 PHE A 41 31.966 32.427 23.095 1.00 0.00 H new ATOM 0 HD1 PHE A 41 35.368 32.010 24.502 1.00 0.00 H new ATOM 0 HD2 PHE A 41 31.440 33.668 25.107 1.00 0.00 H new ATOM 0 HE1 PHE A 41 36.238 33.376 26.383 1.00 0.00 H new ATOM 0 HE2 PHE A 41 32.310 35.017 27.006 1.00 0.00 H new ATOM 0 HZ PHE A 41 34.701 34.854 27.655 1.00 0.00 H new ATOM 685 N ILE A 42 30.618 29.714 22.436 1.00 0.00 N ATOM 686 CA ILE A 42 29.932 29.154 21.273 1.00 0.00 C ATOM 687 C ILE A 42 28.754 30.081 20.974 1.00 0.00 C ATOM 688 O ILE A 42 28.014 30.452 21.877 1.00 0.00 O ATOM 689 CB ILE A 42 29.473 27.693 21.531 1.00 0.00 C ATOM 690 CG1 ILE A 42 30.558 26.796 22.182 1.00 0.00 C ATOM 691 CG2 ILE A 42 29.022 27.068 20.200 1.00 0.00 C ATOM 692 CD1 ILE A 42 30.031 25.447 22.682 1.00 0.00 C ATOM 0 H ILE A 42 29.975 30.073 23.141 1.00 0.00 H new ATOM 0 HA ILE A 42 30.601 29.099 20.414 1.00 0.00 H new ATOM 0 HB ILE A 42 28.652 27.744 22.246 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.352 26.618 21.456 1.00 0.00 H new ATOM 0 HG13 ILE A 42 31.005 27.333 23.019 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.698 26.042 20.371 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.195 27.646 19.789 1.00 0.00 H new ATOM 0 HG23 ILE A 42 29.854 27.073 19.495 1.00 0.00 H new ATOM 0 HD11 ILE A 42 30.849 24.878 23.124 1.00 0.00 H new ATOM 0 HD12 ILE A 42 29.258 25.614 23.432 1.00 0.00 H new ATOM 0 HD13 ILE A 42 29.610 24.888 21.846 1.00 0.00 H new ATOM 704 N GLN A 43 28.542 30.474 19.727 1.00 0.00 N ATOM 705 CA GLN A 43 27.312 31.153 19.329 1.00 0.00 C ATOM 706 C GLN A 43 26.299 30.136 18.797 1.00 0.00 C ATOM 707 O GLN A 43 26.664 29.087 18.262 1.00 0.00 O ATOM 708 CB GLN A 43 27.597 32.318 18.380 1.00 0.00 C ATOM 709 CG GLN A 43 28.453 33.404 19.063 1.00 0.00 C ATOM 710 CD GLN A 43 28.593 34.680 18.240 1.00 0.00 C ATOM 711 OE1 GLN A 43 28.153 34.776 17.099 1.00 0.00 O ATOM 712 NE2 GLN A 43 29.191 35.713 18.788 1.00 0.00 N ATOM 0 H GLN A 43 29.208 30.335 18.967 1.00 0.00 H new ATOM 0 HA GLN A 43 26.851 31.615 20.202 1.00 0.00 H new ATOM 0 HB2 GLN A 43 28.114 31.949 17.494 1.00 0.00 H new ATOM 0 HB3 GLN A 43 26.656 32.753 18.043 1.00 0.00 H new ATOM 0 HG2 GLN A 43 28.009 33.651 20.028 1.00 0.00 H new ATOM 0 HG3 GLN A 43 29.445 33.000 19.263 1.00 0.00 H new ATOM 0 HE21 GLN A 43 29.561 35.644 19.736 1.00 0.00 H new ATOM 0 HE22 GLN A 43 29.286 36.584 18.265 1.00 0.00 H new ATOM 721 N PHE A 44 25.017 30.438 18.960 1.00 0.00 N ATOM 722 CA PHE A 44 23.897 29.514 18.820 1.00 0.00 C ATOM 723 C PHE A 44 22.719 30.136 18.075 1.00 0.00 C ATOM 724 O PHE A 44 22.530 31.347 18.073 1.00 0.00 O ATOM 725 CB PHE A 44 23.465 29.035 20.211 1.00 0.00 C ATOM 726 CG PHE A 44 23.963 27.648 20.557 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.294 27.451 20.970 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.097 26.547 20.436 1.00 0.00 C ATOM 729 CE1 PHE A 44 25.752 26.154 21.257 1.00 0.00 C ATOM 730 CE2 PHE A 44 23.562 25.249 20.723 1.00 0.00 C ATOM 731 CZ PHE A 44 24.887 25.055 21.142 1.00 0.00 C ATOM 0 H PHE A 44 24.715 31.381 19.206 1.00 0.00 H new ATOM 0 HA PHE A 44 24.229 28.666 18.221 1.00 0.00 H new ATOM 0 HB2 PHE A 44 23.830 29.740 20.958 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.377 29.046 20.268 1.00 0.00 H new ATOM 0 HD1 PHE A 44 25.962 28.295 21.066 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.074 26.697 20.123 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.775 26.002 21.568 1.00 0.00 H new ATOM 0 HE2 PHE A 44 22.899 24.403 20.621 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.241 24.062 21.376 1.00 0.00 H new ATOM 741 N ASP A 45 21.891 29.282 17.492 1.00 0.00 N ATOM 742 CA ASP A 45 20.528 29.611 17.095 1.00 0.00 C ATOM 743 C ASP A 45 19.583 29.195 18.243 1.00 0.00 C ATOM 744 O ASP A 45 19.826 28.160 18.861 1.00 0.00 O ATOM 745 CB ASP A 45 20.262 28.914 15.754 1.00 0.00 C ATOM 746 CG ASP A 45 18.961 29.301 15.067 1.00 0.00 C ATOM 747 OD1 ASP A 45 18.241 30.210 15.541 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.660 28.690 14.014 1.00 0.00 O ATOM 0 H ASP A 45 22.153 28.320 17.277 1.00 0.00 H new ATOM 0 HA ASP A 45 20.360 30.676 16.936 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.089 29.133 15.079 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.261 27.836 15.917 1.00 0.00 H new ATOM 753 N ASN A 46 18.551 30.006 18.518 1.00 0.00 N ATOM 754 CA ASN A 46 17.656 30.004 19.699 1.00 0.00 C ATOM 755 C ASN A 46 18.346 30.185 21.090 1.00 0.00 C ATOM 756 O ASN A 46 19.230 29.408 21.452 1.00 0.00 O ATOM 757 CB ASN A 46 16.770 28.741 19.695 1.00 0.00 C ATOM 758 CG ASN A 46 15.946 28.524 18.441 1.00 0.00 C ATOM 759 OD1 ASN A 46 15.292 29.422 17.927 1.00 0.00 O ATOM 760 ND2 ASN A 46 15.924 27.327 17.906 1.00 0.00 N ATOM 0 H ASN A 46 18.293 30.747 17.867 1.00 0.00 H new ATOM 0 HA ASN A 46 17.052 30.904 19.583 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.409 27.870 19.844 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.094 28.790 20.549 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.366 27.152 17.070 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.465 26.571 18.326 1.00 0.00 H new ATOM 767 N PRO A 47 17.908 31.118 21.965 1.00 0.00 N ATOM 768 CA PRO A 47 18.431 31.215 23.339 1.00 0.00 C ATOM 769 C PRO A 47 18.060 30.028 24.244 1.00 0.00 C ATOM 770 O PRO A 47 18.833 29.672 25.137 1.00 0.00 O ATOM 771 CB PRO A 47 17.918 32.548 23.893 1.00 0.00 C ATOM 772 CG PRO A 47 16.672 32.838 23.059 1.00 0.00 C ATOM 773 CD PRO A 47 16.999 32.224 21.697 1.00 0.00 C ATOM 0 HA PRO A 47 19.520 31.177 23.319 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.680 32.474 24.954 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.662 33.337 23.787 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.782 32.388 23.498 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.482 33.909 22.981 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.095 31.874 21.199 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.462 32.959 21.038 1.00 0.00 H new ATOM 781 N GLN A 48 16.939 29.336 24.005 1.00 0.00 N ATOM 782 CA GLN A 48 16.623 28.112 24.756 1.00 0.00 C ATOM 783 C GLN A 48 17.579 26.958 24.419 1.00 0.00 C ATOM 784 O GLN A 48 17.918 26.165 25.298 1.00 0.00 O ATOM 785 CB GLN A 48 15.159 27.715 24.565 1.00 0.00 C ATOM 786 CG GLN A 48 14.257 28.689 25.339 1.00 0.00 C ATOM 787 CD GLN A 48 12.782 28.483 25.050 1.00 0.00 C ATOM 788 OE1 GLN A 48 12.345 27.480 24.501 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.940 29.425 25.393 1.00 0.00 N ATOM 0 H GLN A 48 16.243 29.597 23.307 1.00 0.00 H new ATOM 0 HA GLN A 48 16.772 28.333 25.813 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.903 27.730 23.506 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.999 26.696 24.918 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.433 28.568 26.408 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.533 29.712 25.084 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.280 30.270 25.852 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.944 29.314 25.202 1.00 0.00 H new ATOM 798 N SER A 49 18.110 26.920 23.194 1.00 0.00 N ATOM 799 CA SER A 49 19.208 26.021 22.829 1.00 0.00 C ATOM 800 C SER A 49 20.490 26.303 23.615 1.00 0.00 C ATOM 801 O SER A 49 21.217 25.368 23.940 1.00 0.00 O ATOM 802 CB SER A 49 19.541 26.173 21.351 1.00 0.00 C ATOM 803 OG SER A 49 18.480 25.798 20.496 1.00 0.00 O ATOM 0 H SER A 49 17.791 27.512 22.427 1.00 0.00 H new ATOM 0 HA SER A 49 18.863 25.014 23.062 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.810 27.210 21.151 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.417 25.567 21.119 1.00 0.00 H new ATOM 0 HG SER A 49 17.891 25.169 20.962 1.00 0.00 H new ATOM 809 N VAL A 50 20.767 27.571 23.952 1.00 0.00 N ATOM 810 CA VAL A 50 21.926 27.940 24.780 1.00 0.00 C ATOM 811 C VAL A 50 21.772 27.408 26.197 1.00 0.00 C ATOM 812 O VAL A 50 22.646 26.680 26.668 1.00 0.00 O ATOM 813 CB VAL A 50 22.169 29.461 24.794 1.00 0.00 C ATOM 814 CG1 VAL A 50 23.260 29.845 25.795 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.610 29.939 23.414 1.00 0.00 C ATOM 0 H VAL A 50 20.198 28.366 23.661 1.00 0.00 H new ATOM 0 HA VAL A 50 22.802 27.476 24.327 1.00 0.00 H new ATOM 0 HB VAL A 50 21.229 29.932 25.082 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.405 30.925 25.778 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.961 29.534 26.796 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.192 29.349 25.525 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.778 31.016 23.438 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.534 29.434 23.132 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.834 29.710 22.684 1.00 0.00 H new ATOM 825 N ARG A 51 20.667 27.727 26.887 1.00 0.00 N ATOM 826 CA ARG A 51 20.469 27.242 28.266 1.00 0.00 C ATOM 827 C ARG A 51 20.419 25.716 28.319 1.00 0.00 C ATOM 828 O ARG A 51 21.113 25.136 29.142 1.00 0.00 O ATOM 829 CB ARG A 51 19.300 27.955 28.976 1.00 0.00 C ATOM 830 CG ARG A 51 17.916 27.775 28.330 1.00 0.00 C ATOM 831 CD ARG A 51 17.089 26.582 28.834 1.00 0.00 C ATOM 832 NE ARG A 51 16.627 26.751 30.224 1.00 0.00 N ATOM 833 CZ ARG A 51 16.445 25.787 31.115 1.00 0.00 C ATOM 834 NH1 ARG A 51 16.653 24.529 30.849 1.00 0.00 N ATOM 835 NH2 ARG A 51 16.041 26.066 32.319 1.00 0.00 N ATOM 0 H ARG A 51 19.910 28.306 26.525 1.00 0.00 H new ATOM 0 HA ARG A 51 21.345 27.519 28.853 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.250 27.595 30.004 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.523 29.021 29.022 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.340 28.686 28.492 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.050 27.670 27.253 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.225 26.444 28.184 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.689 25.675 28.764 1.00 0.00 H new ATOM 0 HE ARG A 51 16.428 27.703 30.530 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.970 24.250 29.921 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.499 23.823 31.569 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.861 27.034 32.585 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.904 25.317 32.997 1.00 0.00 H new ATOM 849 N ASP A 52 19.720 25.046 27.404 1.00 0.00 N ATOM 850 CA ASP A 52 19.622 23.578 27.424 1.00 0.00 C ATOM 851 C ASP A 52 20.913 22.852 27.031 1.00 0.00 C ATOM 852 O ASP A 52 21.072 21.682 27.370 1.00 0.00 O ATOM 853 CB ASP A 52 18.473 23.117 26.530 1.00 0.00 C ATOM 854 CG ASP A 52 17.103 23.388 27.142 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.921 23.218 28.372 1.00 0.00 O ATOM 856 OD2 ASP A 52 16.168 23.693 26.369 1.00 0.00 O ATOM 0 H ASP A 52 19.212 25.491 26.639 1.00 0.00 H new ATOM 0 HA ASP A 52 19.432 23.308 28.463 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.542 23.623 25.567 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.575 22.049 26.337 1.00 0.00 H new ATOM 861 N ALA A 53 21.859 23.522 26.373 1.00 0.00 N ATOM 862 CA ALA A 53 23.212 23.011 26.213 1.00 0.00 C ATOM 863 C ALA A 53 23.971 23.041 27.558 1.00 0.00 C ATOM 864 O ALA A 53 24.346 21.992 28.098 1.00 0.00 O ATOM 865 CB ALA A 53 23.892 23.818 25.098 1.00 0.00 C ATOM 0 H ALA A 53 21.705 24.432 25.938 1.00 0.00 H new ATOM 0 HA ALA A 53 23.207 21.962 25.915 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.910 23.456 24.956 1.00 0.00 H new ATOM 0 HB2 ALA A 53 23.332 23.700 24.170 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.917 24.872 25.375 1.00 0.00 H new ATOM 871 N ILE A 54 24.158 24.230 28.144 1.00 0.00 N ATOM 872 CA ILE A 54 25.021 24.396 29.329 1.00 0.00 C ATOM 873 C ILE A 54 24.396 23.772 30.585 1.00 0.00 C ATOM 874 O ILE A 54 25.097 23.198 31.417 1.00 0.00 O ATOM 875 CB ILE A 54 25.379 25.874 29.634 1.00 0.00 C ATOM 876 CG1 ILE A 54 25.489 26.854 28.447 1.00 0.00 C ATOM 877 CG2 ILE A 54 26.747 25.874 30.337 1.00 0.00 C ATOM 878 CD1 ILE A 54 25.040 28.273 28.833 1.00 0.00 C ATOM 0 H ILE A 54 23.725 25.094 27.819 1.00 0.00 H new ATOM 0 HA ILE A 54 25.941 23.871 29.073 1.00 0.00 H new ATOM 0 HB ILE A 54 24.537 26.241 30.221 1.00 0.00 H new ATOM 0 HG12 ILE A 54 26.520 26.883 28.094 1.00 0.00 H new ATOM 0 HG13 ILE A 54 24.879 26.492 27.620 1.00 0.00 H new ATOM 0 HG21 ILE A 54 27.037 26.899 30.570 1.00 0.00 H new ATOM 0 HG22 ILE A 54 26.682 25.297 31.259 1.00 0.00 H new ATOM 0 HG23 ILE A 54 27.493 25.426 29.681 1.00 0.00 H new ATOM 0 HD11 ILE A 54 25.133 28.932 27.969 1.00 0.00 H new ATOM 0 HD12 ILE A 54 24.001 28.249 29.161 1.00 0.00 H new ATOM 0 HD13 ILE A 54 25.668 28.646 29.643 1.00 0.00 H new ATOM 890 N GLU A 55 23.075 23.852 30.733 1.00 0.00 N ATOM 891 CA GLU A 55 22.325 23.309 31.872 1.00 0.00 C ATOM 892 C GLU A 55 22.125 21.790 31.786 1.00 0.00 C ATOM 893 O GLU A 55 21.587 21.210 32.727 1.00 0.00 O ATOM 894 CB GLU A 55 20.961 24.016 32.004 1.00 0.00 C ATOM 895 CG GLU A 55 21.042 25.541 32.181 1.00 0.00 C ATOM 896 CD GLU A 55 21.358 25.939 33.619 1.00 0.00 C ATOM 897 OE1 GLU A 55 22.472 25.648 34.123 1.00 0.00 O ATOM 898 OE2 GLU A 55 20.481 26.558 34.267 1.00 0.00 O ATOM 0 H GLU A 55 22.476 24.309 30.045 1.00 0.00 H new ATOM 0 HA GLU A 55 22.925 23.501 32.761 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.367 23.798 31.117 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.429 23.593 32.856 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.809 25.942 31.518 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.095 25.990 31.881 1.00 0.00 H new ATOM 905 N CYS A 56 22.526 21.132 30.690 1.00 0.00 N ATOM 906 CA CYS A 56 22.372 19.685 30.508 1.00 0.00 C ATOM 907 C CYS A 56 23.711 18.936 30.428 1.00 0.00 C ATOM 908 O CYS A 56 23.779 17.801 30.900 1.00 0.00 O ATOM 909 CB CYS A 56 21.476 19.442 29.288 1.00 0.00 C ATOM 910 SG CYS A 56 20.759 17.777 29.322 1.00 0.00 S ATOM 0 H CYS A 56 22.971 21.595 29.898 1.00 0.00 H new ATOM 0 HA CYS A 56 21.892 19.268 31.394 1.00 0.00 H new ATOM 0 HB2 CYS A 56 20.678 20.184 29.266 1.00 0.00 H new ATOM 0 HB3 CYS A 56 22.057 19.572 28.375 1.00 0.00 H new ATOM 0 HG CYS A 56 21.099 17.136 28.243 1.00 0.00 H new ATOM 916 N GLU A 57 24.788 19.531 29.895 1.00 0.00 N ATOM 917 CA GLU A 57 26.110 18.870 29.830 1.00 0.00 C ATOM 918 C GLU A 57 27.211 19.546 30.657 1.00 0.00 C ATOM 919 O GLU A 57 28.151 18.884 31.091 1.00 0.00 O ATOM 920 CB GLU A 57 26.556 18.721 28.363 1.00 0.00 C ATOM 921 CG GLU A 57 27.462 17.499 28.142 1.00 0.00 C ATOM 922 CD GLU A 57 26.747 16.205 28.533 1.00 0.00 C ATOM 923 OE1 GLU A 57 25.604 15.989 28.074 1.00 0.00 O ATOM 924 OE2 GLU A 57 27.274 15.423 29.358 1.00 0.00 O ATOM 0 H GLU A 57 24.774 20.471 29.500 1.00 0.00 H new ATOM 0 HA GLU A 57 25.969 17.891 30.287 1.00 0.00 H new ATOM 0 HB2 GLU A 57 25.675 18.636 27.726 1.00 0.00 H new ATOM 0 HB3 GLU A 57 27.086 19.622 28.055 1.00 0.00 H new ATOM 0 HG2 GLU A 57 27.763 17.450 27.095 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.373 17.607 28.731 1.00 0.00 H new ATOM 1095 N ILE A 68 30.333 27.837 36.761 1.00 0.00 N ATOM 1096 CA ILE A 68 29.432 28.911 36.314 1.00 0.00 C ATOM 1097 C ILE A 68 29.338 28.958 34.782 1.00 0.00 C ATOM 1098 O ILE A 68 30.134 28.344 34.070 1.00 0.00 O ATOM 1099 CB ILE A 68 29.876 30.258 36.935 1.00 0.00 C ATOM 1100 CG1 ILE A 68 28.858 31.418 36.859 1.00 0.00 C ATOM 1101 CG2 ILE A 68 31.208 30.745 36.343 1.00 0.00 C ATOM 1102 CD1 ILE A 68 27.474 31.093 37.434 1.00 0.00 C ATOM 0 HA ILE A 68 28.422 28.705 36.667 1.00 0.00 H new ATOM 0 HB ILE A 68 29.976 30.008 37.991 1.00 0.00 H new ATOM 0 HG12 ILE A 68 29.266 32.277 37.392 1.00 0.00 H new ATOM 0 HG13 ILE A 68 28.743 31.715 35.817 1.00 0.00 H new ATOM 0 HG21 ILE A 68 31.486 31.693 36.804 1.00 0.00 H new ATOM 0 HG22 ILE A 68 31.985 30.005 36.537 1.00 0.00 H new ATOM 0 HG23 ILE A 68 31.099 30.883 35.267 1.00 0.00 H new ATOM 0 HD11 ILE A 68 26.826 31.964 37.338 1.00 0.00 H new ATOM 0 HD12 ILE A 68 27.040 30.256 36.887 1.00 0.00 H new ATOM 0 HD13 ILE A 68 27.571 30.827 38.487 1.00 0.00 H new ATOM 1114 N LEU A 69 28.342 29.683 34.282 1.00 0.00 N ATOM 1115 CA LEU A 69 28.027 29.849 32.870 1.00 0.00 C ATOM 1116 C LEU A 69 27.361 31.198 32.590 1.00 0.00 C ATOM 1117 O LEU A 69 27.036 31.949 33.513 1.00 0.00 O ATOM 1118 CB LEU A 69 27.158 28.672 32.392 1.00 0.00 C ATOM 1119 CG LEU A 69 25.736 28.419 32.947 1.00 0.00 C ATOM 1120 CD1 LEU A 69 25.710 28.165 34.449 1.00 0.00 C ATOM 1121 CD2 LEU A 69 24.701 29.501 32.624 1.00 0.00 C ATOM 0 H LEU A 69 27.700 30.197 34.885 1.00 0.00 H new ATOM 0 HA LEU A 69 28.958 29.846 32.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.059 28.774 31.311 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.732 27.764 32.575 1.00 0.00 H new ATOM 0 HG LEU A 69 25.445 27.515 32.412 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.683 27.995 34.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.313 27.287 34.680 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.116 29.031 34.972 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.740 29.226 33.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.029 30.454 33.040 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.597 29.594 31.543 1.00 0.00 H new ATOM 1133 N GLU A 70 27.126 31.494 31.312 1.00 0.00 N ATOM 1134 CA GLU A 70 26.331 32.648 30.896 1.00 0.00 C ATOM 1135 C GLU A 70 25.582 32.373 29.581 1.00 0.00 C ATOM 1136 O GLU A 70 26.198 32.148 28.535 1.00 0.00 O ATOM 1137 CB GLU A 70 27.268 33.855 30.791 1.00 0.00 C ATOM 1138 CG GLU A 70 26.567 35.163 30.436 1.00 0.00 C ATOM 1139 CD GLU A 70 27.640 36.233 30.276 1.00 0.00 C ATOM 1140 OE1 GLU A 70 28.101 36.809 31.293 1.00 0.00 O ATOM 1141 OE2 GLU A 70 28.091 36.451 29.132 1.00 0.00 O ATOM 0 H GLU A 70 27.483 30.939 30.534 1.00 0.00 H new ATOM 0 HA GLU A 70 25.557 32.856 31.635 1.00 0.00 H new ATOM 0 HB2 GLU A 70 27.788 33.981 31.741 1.00 0.00 H new ATOM 0 HB3 GLU A 70 28.027 33.647 30.037 1.00 0.00 H new ATOM 0 HG2 GLU A 70 25.996 35.053 29.514 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.861 35.443 31.217 1.00 0.00 H new ATOM 1148 N VAL A 71 24.249 32.445 29.641 1.00 0.00 N ATOM 1149 CA VAL A 71 23.348 32.498 28.479 1.00 0.00 C ATOM 1150 C VAL A 71 23.157 33.956 28.058 1.00 0.00 C ATOM 1151 O VAL A 71 22.817 34.810 28.881 1.00 0.00 O ATOM 1152 CB VAL A 71 22.012 31.760 28.749 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.321 32.137 30.068 1.00 0.00 C ATOM 1154 CG2 VAL A 71 20.995 31.962 27.618 1.00 0.00 C ATOM 0 H VAL A 71 23.747 32.469 30.529 1.00 0.00 H new ATOM 0 HA VAL A 71 23.802 31.964 27.644 1.00 0.00 H new ATOM 0 HB VAL A 71 22.319 30.716 28.813 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.395 31.570 30.169 1.00 0.00 H new ATOM 0 HG12 VAL A 71 21.981 31.905 30.904 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.095 33.203 30.069 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.076 31.425 27.855 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.777 33.025 27.510 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.408 31.580 26.685 1.00 0.00 H new ATOM 1164 N SER A 72 23.396 34.262 26.784 1.00 0.00 N ATOM 1165 CA SER A 72 23.507 35.631 26.268 1.00 0.00 C ATOM 1166 C SER A 72 23.103 35.734 24.787 1.00 0.00 C ATOM 1167 O SER A 72 22.619 34.761 24.206 1.00 0.00 O ATOM 1168 CB SER A 72 24.952 36.086 26.499 1.00 0.00 C ATOM 1169 OG SER A 72 25.051 37.489 26.408 1.00 0.00 O ATOM 0 H SER A 72 23.521 33.551 26.063 1.00 0.00 H new ATOM 0 HA SER A 72 22.813 36.284 26.796 1.00 0.00 H new ATOM 0 HB2 SER A 72 25.291 35.755 27.481 1.00 0.00 H new ATOM 0 HB3 SER A 72 25.607 35.621 25.762 1.00 0.00 H new ATOM 0 HG SER A 72 25.980 37.762 26.560 1.00 0.00 H new