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 HD1:sc= 0.131 K(o=0.29,f=-3.4!) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.158 K(o=0.29,f=-1.6) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -52:sc= 1.28 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00954) USER MOD Single : A 25 SER OG : rot 66:sc= 1.21 USER MOD Single : A 27 TYR OH : rot 178:sc= 1.23 USER MOD Single : A 31 MET CE :methyl 161:sc= -0.0182 (180deg=-0.379) USER MOD Single : A 32 GLN : amide:sc= -0.169 K(o=-0.17,f=-2!) USER MOD Single : A 34 ASN : amide:sc=-0.00763 K(o=-0.0076,f=-0.95) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.232 K(o=0.23,f=-3.5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -130:sc= 1.76 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.958 32.756 14.352 1.00 0.00 N ATOM 2 CA PRO A 1 18.341 33.918 15.189 1.00 0.00 C ATOM 3 C PRO A 1 19.557 33.609 16.069 1.00 0.00 C ATOM 4 O PRO A 1 19.550 32.597 16.769 1.00 0.00 O ATOM 5 CB PRO A 1 17.111 34.301 16.029 1.00 0.00 C ATOM 6 CG PRO A 1 16.253 33.036 16.020 1.00 0.00 C ATOM 7 CD PRO A 1 16.533 32.498 14.624 1.00 0.00 C ATOM 0 H2 PRO A 1 18.525 31.940 14.582 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.109 32.955 13.363 1.00 0.00 H new ATOM 0 HA PRO A 1 18.642 34.754 14.558 1.00 0.00 H new ATOM 0 HB2 PRO A 1 17.392 34.586 17.043 1.00 0.00 H new ATOM 0 HB3 PRO A 1 16.579 35.148 15.596 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.549 32.333 16.799 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.196 33.255 16.172 1.00 0.00 H new ATOM 0 HD2 PRO A 1 16.315 31.431 14.569 1.00 0.00 H new ATOM 0 HD3 PRO A 1 15.902 32.991 13.885 1.00 0.00 H new ATOM 15 N LYS A 2 20.582 34.473 16.054 1.00 0.00 N ATOM 16 CA LYS A 2 21.830 34.281 16.812 1.00 0.00 C ATOM 17 C LYS A 2 21.628 34.382 18.329 1.00 0.00 C ATOM 18 O LYS A 2 20.715 35.050 18.810 1.00 0.00 O ATOM 19 CB LYS A 2 22.921 35.271 16.365 1.00 0.00 C ATOM 20 CG LYS A 2 23.301 35.146 14.881 1.00 0.00 C ATOM 21 CD LYS A 2 24.477 36.054 14.471 1.00 0.00 C ATOM 22 CE LYS A 2 24.285 37.545 14.791 1.00 0.00 C ATOM 23 NZ LYS A 2 23.114 38.135 14.098 1.00 0.00 N ATOM 0 H LYS A 2 20.569 35.335 15.509 1.00 0.00 H new ATOM 0 HA LYS A 2 22.157 33.265 16.589 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.578 36.287 16.558 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.812 35.114 16.973 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.560 34.109 14.666 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.433 35.391 14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 2 25.380 35.703 14.971 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.644 35.946 13.399 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.165 37.668 15.867 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.184 38.092 14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 23.032 39.141 14.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 23.237 38.044 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.250 37.634 14.388 1.00 0.00 H new ATOM 37 N SER A 3 22.507 33.713 19.058 1.00 0.00 N ATOM 38 CA SER A 3 22.534 33.558 20.513 1.00 0.00 C ATOM 39 C SER A 3 23.965 33.185 20.928 1.00 0.00 C ATOM 40 O SER A 3 24.738 32.731 20.081 1.00 0.00 O ATOM 41 CB SER A 3 21.569 32.427 20.893 1.00 0.00 C ATOM 42 OG SER A 3 20.820 32.768 22.037 1.00 0.00 O ATOM 0 H SER A 3 23.285 33.223 18.616 1.00 0.00 H new ATOM 0 HA SER A 3 22.235 34.478 21.015 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.896 32.223 20.060 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.131 31.512 21.081 1.00 0.00 H new ATOM 0 HG SER A 3 21.426 33.055 22.751 1.00 0.00 H new ATOM 48 N ARG A 4 24.346 33.300 22.206 1.00 0.00 N ATOM 49 CA ARG A 4 25.688 32.900 22.666 1.00 0.00 C ATOM 50 C ARG A 4 25.680 32.129 23.984 1.00 0.00 C ATOM 51 O ARG A 4 25.192 32.595 25.007 1.00 0.00 O ATOM 52 CB ARG A 4 26.637 34.114 22.642 1.00 0.00 C ATOM 53 CG ARG A 4 28.114 33.726 22.840 1.00 0.00 C ATOM 54 CD ARG A 4 28.556 33.740 24.310 1.00 0.00 C ATOM 55 NE ARG A 4 28.732 35.117 24.805 1.00 0.00 N ATOM 56 CZ ARG A 4 28.529 35.570 26.026 1.00 0.00 C ATOM 57 NH1 ARG A 4 27.982 34.873 26.979 1.00 0.00 N ATOM 58 NH2 ARG A 4 28.882 36.777 26.344 1.00 0.00 N ATOM 0 H ARG A 4 23.745 33.667 22.944 1.00 0.00 H new ATOM 0 HA ARG A 4 26.083 32.170 21.960 1.00 0.00 H new ATOM 0 HB2 ARG A 4 26.528 34.635 21.691 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.343 34.814 23.424 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.279 32.730 22.428 1.00 0.00 H new ATOM 0 HG3 ARG A 4 28.742 34.413 22.273 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.814 33.225 24.920 1.00 0.00 H new ATOM 0 HD3 ARG A 4 29.492 33.191 24.415 1.00 0.00 H new ATOM 0 HE ARG A 4 29.049 35.803 24.120 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.681 33.915 26.802 1.00 0.00 H new ATOM 0 HH12 ARG A 4 27.854 35.285 27.903 1.00 0.00 H new ATOM 0 HH21 ARG A 4 29.319 37.381 25.648 1.00 0.00 H new ATOM 0 HH22 ARG A 4 28.722 37.122 27.290 1.00 0.00 H new ATOM 72 N LEU A 5 26.311 30.964 23.935 1.00 0.00 N ATOM 73 CA LEU A 5 26.648 30.068 25.032 1.00 0.00 C ATOM 74 C LEU A 5 28.075 30.390 25.504 1.00 0.00 C ATOM 75 O LEU A 5 28.994 30.477 24.689 1.00 0.00 O ATOM 76 CB LEU A 5 26.489 28.633 24.471 1.00 0.00 C ATOM 77 CG LEU A 5 26.465 27.482 25.485 1.00 0.00 C ATOM 78 CD1 LEU A 5 26.051 26.168 24.827 1.00 0.00 C ATOM 79 CD2 LEU A 5 27.819 27.238 26.143 1.00 0.00 C ATOM 0 H LEU A 5 26.630 30.587 23.042 1.00 0.00 H new ATOM 0 HA LEU A 5 26.006 30.178 25.906 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.564 28.596 23.896 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.306 28.451 23.773 1.00 0.00 H new ATOM 0 HG LEU A 5 25.742 27.791 26.240 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.044 25.374 25.573 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.054 26.273 24.400 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.759 25.918 24.037 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.737 26.412 26.849 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.555 26.990 25.379 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.134 28.138 26.672 1.00 0.00 H new ATOM 91 N PHE A 6 28.276 30.569 26.807 1.00 0.00 N ATOM 92 CA PHE A 6 29.605 30.563 27.424 1.00 0.00 C ATOM 93 C PHE A 6 29.644 29.583 28.601 1.00 0.00 C ATOM 94 O PHE A 6 28.740 29.590 29.442 1.00 0.00 O ATOM 95 CB PHE A 6 30.001 31.985 27.839 1.00 0.00 C ATOM 96 CG PHE A 6 31.231 32.055 28.728 1.00 0.00 C ATOM 97 CD1 PHE A 6 32.517 32.069 28.160 1.00 0.00 C ATOM 98 CD2 PHE A 6 31.093 32.050 30.129 1.00 0.00 C ATOM 99 CE1 PHE A 6 33.655 32.098 28.984 1.00 0.00 C ATOM 100 CE2 PHE A 6 32.230 32.047 30.955 1.00 0.00 C ATOM 101 CZ PHE A 6 33.511 32.080 30.380 1.00 0.00 C ATOM 0 H PHE A 6 27.518 30.724 27.471 1.00 0.00 H new ATOM 0 HA PHE A 6 30.340 30.219 26.696 1.00 0.00 H new ATOM 0 HB2 PHE A 6 30.181 32.576 26.941 1.00 0.00 H new ATOM 0 HB3 PHE A 6 29.162 32.446 28.361 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.631 32.057 27.086 1.00 0.00 H new ATOM 0 HD2 PHE A 6 30.108 32.048 30.572 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.640 32.134 28.543 1.00 0.00 H new ATOM 0 HE2 PHE A 6 32.119 32.019 32.029 1.00 0.00 H new ATOM 0 HZ PHE A 6 34.386 32.092 31.013 1.00 0.00 H new ATOM 111 N ILE A 7 30.705 28.777 28.678 1.00 0.00 N ATOM 112 CA ILE A 7 31.029 27.928 29.830 1.00 0.00 C ATOM 113 C ILE A 7 32.304 28.465 30.480 1.00 0.00 C ATOM 114 O ILE A 7 33.272 28.743 29.773 1.00 0.00 O ATOM 115 CB ILE A 7 31.218 26.428 29.471 1.00 0.00 C ATOM 116 CG1 ILE A 7 30.302 25.870 28.358 1.00 0.00 C ATOM 117 CG2 ILE A 7 30.974 25.594 30.742 1.00 0.00 C ATOM 118 CD1 ILE A 7 30.874 26.065 26.945 1.00 0.00 C ATOM 0 H ILE A 7 31.383 28.693 27.920 1.00 0.00 H new ATOM 0 HA ILE A 7 30.180 27.969 30.513 1.00 0.00 H new ATOM 0 HB ILE A 7 32.233 26.355 29.080 1.00 0.00 H new ATOM 0 HG12 ILE A 7 30.137 24.807 28.532 1.00 0.00 H new ATOM 0 HG13 ILE A 7 29.329 26.358 28.419 1.00 0.00 H new ATOM 0 HG21 ILE A 7 31.102 24.536 30.513 1.00 0.00 H new ATOM 0 HG22 ILE A 7 31.688 25.887 31.512 1.00 0.00 H new ATOM 0 HG23 ILE A 7 29.960 25.768 31.102 1.00 0.00 H new ATOM 0 HD11 ILE A 7 30.182 25.651 26.212 1.00 0.00 H new ATOM 0 HD12 ILE A 7 31.013 27.129 26.752 1.00 0.00 H new ATOM 0 HD13 ILE A 7 31.833 25.554 26.867 1.00 0.00 H new ATOM 130 N GLY A 8 32.314 28.559 31.811 1.00 0.00 N ATOM 131 CA GLY A 8 33.522 28.766 32.611 1.00 0.00 C ATOM 132 C GLY A 8 34.425 27.526 32.634 1.00 0.00 C ATOM 133 O GLY A 8 34.353 26.683 31.742 1.00 0.00 O ATOM 0 H GLY A 8 31.466 28.492 32.374 1.00 0.00 H new ATOM 0 HA2 GLY A 8 34.080 29.612 32.210 1.00 0.00 H new ATOM 0 HA3 GLY A 8 33.239 29.026 33.631 1.00 0.00 H new ATOM 137 N ASN A 9 35.273 27.388 33.655 1.00 0.00 N ATOM 138 CA ASN A 9 36.285 26.328 33.751 1.00 0.00 C ATOM 139 C ASN A 9 35.659 24.912 33.838 1.00 0.00 C ATOM 140 O ASN A 9 35.392 24.400 34.932 1.00 0.00 O ATOM 141 CB ASN A 9 37.224 26.615 34.939 1.00 0.00 C ATOM 142 CG ASN A 9 38.161 27.802 34.770 1.00 0.00 C ATOM 143 OD1 ASN A 9 38.100 28.608 33.850 1.00 0.00 O ATOM 144 ND2 ASN A 9 39.104 27.935 35.667 1.00 0.00 N ATOM 0 H ASN A 9 35.278 28.021 34.455 1.00 0.00 H new ATOM 0 HA ASN A 9 36.869 26.334 32.831 1.00 0.00 H new ATOM 0 HB2 ASN A 9 36.615 26.781 35.828 1.00 0.00 H new ATOM 0 HB3 ASN A 9 37.825 25.725 35.126 1.00 0.00 H new ATOM 0 HD21 ASN A 9 39.774 28.701 35.593 1.00 0.00 H new ATOM 0 HD22 ASN A 9 39.170 27.273 36.440 1.00 0.00 H new ATOM 151 N LEU A 10 35.448 24.271 32.683 1.00 0.00 N ATOM 152 CA LEU A 10 34.900 22.915 32.529 1.00 0.00 C ATOM 153 C LEU A 10 35.354 22.199 31.233 1.00 0.00 C ATOM 154 O LEU A 10 35.816 21.059 31.347 1.00 0.00 O ATOM 155 CB LEU A 10 33.362 22.967 32.648 1.00 0.00 C ATOM 156 CG LEU A 10 32.667 21.606 32.450 1.00 0.00 C ATOM 157 CD1 LEU A 10 33.055 20.604 33.537 1.00 0.00 C ATOM 158 CD2 LEU A 10 31.155 21.783 32.484 1.00 0.00 C ATOM 0 H LEU A 10 35.665 24.703 31.785 1.00 0.00 H new ATOM 0 HA LEU A 10 35.308 22.307 33.336 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.098 23.358 33.631 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.975 23.671 31.911 1.00 0.00 H new ATOM 0 HG LEU A 10 32.990 21.220 31.483 1.00 0.00 H new ATOM 0 HD11 LEU A 10 32.543 19.658 33.360 1.00 0.00 H new ATOM 0 HD12 LEU A 10 34.133 20.443 33.515 1.00 0.00 H new ATOM 0 HD13 LEU A 10 32.766 20.995 34.512 1.00 0.00 H new ATOM 0 HD21 LEU A 10 30.672 20.816 32.343 1.00 0.00 H new ATOM 0 HD22 LEU A 10 30.859 22.200 33.447 1.00 0.00 H new ATOM 0 HD23 LEU A 10 30.850 22.460 31.686 1.00 0.00 H new ATOM 170 N PRO A 11 35.291 22.796 30.020 1.00 0.00 N ATOM 171 CA PRO A 11 35.769 22.165 28.784 1.00 0.00 C ATOM 172 C PRO A 11 37.308 22.204 28.659 1.00 0.00 C ATOM 173 O PRO A 11 37.860 22.699 27.680 1.00 0.00 O ATOM 174 CB PRO A 11 35.028 22.888 27.649 1.00 0.00 C ATOM 175 CG PRO A 11 34.904 24.305 28.198 1.00 0.00 C ATOM 176 CD PRO A 11 34.610 24.043 29.673 1.00 0.00 C ATOM 0 HA PRO A 11 35.552 21.097 28.758 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.588 22.861 26.715 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.054 22.442 27.449 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.820 24.879 28.059 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.102 24.862 27.714 1.00 0.00 H new ATOM 0 HD2 PRO A 11 34.969 24.866 30.292 1.00 0.00 H new ATOM 0 HD3 PRO A 11 33.537 23.959 29.845 1.00 0.00 H new ATOM 184 N LEU A 12 38.026 21.659 29.646 1.00 0.00 N ATOM 185 CA LEU A 12 39.495 21.531 29.660 1.00 0.00 C ATOM 186 C LEU A 12 40.008 20.408 28.725 1.00 0.00 C ATOM 187 O LEU A 12 41.218 20.204 28.586 1.00 0.00 O ATOM 188 CB LEU A 12 39.991 21.307 31.106 1.00 0.00 C ATOM 189 CG LEU A 12 39.894 22.509 32.066 1.00 0.00 C ATOM 190 CD1 LEU A 12 38.467 22.824 32.512 1.00 0.00 C ATOM 191 CD2 LEU A 12 40.687 22.227 33.337 1.00 0.00 C ATOM 0 H LEU A 12 37.590 21.281 30.487 1.00 0.00 H new ATOM 0 HA LEU A 12 39.905 22.465 29.275 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.424 20.482 31.536 1.00 0.00 H new ATOM 0 HB3 LEU A 12 41.033 20.989 31.063 1.00 0.00 H new ATOM 0 HG LEU A 12 40.286 23.357 31.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.477 23.681 33.185 1.00 0.00 H new ATOM 0 HD12 LEU A 12 37.856 23.055 31.640 1.00 0.00 H new ATOM 0 HD13 LEU A 12 38.049 21.961 33.030 1.00 0.00 H new ATOM 0 HD21 LEU A 12 40.613 23.082 34.009 1.00 0.00 H new ATOM 0 HD22 LEU A 12 40.283 21.342 33.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 41.733 22.055 33.083 1.00 0.00 H new ATOM 203 N LYS A 13 39.094 19.656 28.103 1.00 0.00 N ATOM 204 CA LYS A 13 39.354 18.510 27.216 1.00 0.00 C ATOM 205 C LYS A 13 39.612 18.961 25.770 1.00 0.00 C ATOM 206 O LYS A 13 39.432 20.134 25.437 1.00 0.00 O ATOM 207 CB LYS A 13 38.175 17.513 27.316 1.00 0.00 C ATOM 208 CG LYS A 13 37.700 17.189 28.750 1.00 0.00 C ATOM 209 CD LYS A 13 38.784 16.713 29.728 1.00 0.00 C ATOM 210 CE LYS A 13 39.204 15.253 29.511 1.00 0.00 C ATOM 211 NZ LYS A 13 38.389 14.328 30.334 1.00 0.00 N ATOM 0 H LYS A 13 38.096 19.838 28.209 1.00 0.00 H new ATOM 0 HA LYS A 13 40.264 18.005 27.540 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.332 17.916 26.755 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.466 16.582 26.829 1.00 0.00 H new ATOM 0 HG2 LYS A 13 37.230 18.080 29.166 1.00 0.00 H new ATOM 0 HG3 LYS A 13 36.929 16.420 28.691 1.00 0.00 H new ATOM 0 HD2 LYS A 13 39.660 17.354 29.627 1.00 0.00 H new ATOM 0 HD3 LYS A 13 38.419 16.830 30.748 1.00 0.00 H new ATOM 0 HE2 LYS A 13 39.098 14.995 28.457 1.00 0.00 H new ATOM 0 HE3 LYS A 13 40.258 15.135 29.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 38.697 13.349 30.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 38.511 14.560 31.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 37.386 14.425 30.075 1.00 0.00 H new ATOM 225 N ASN A 14 40.047 18.049 24.904 1.00 0.00 N ATOM 226 CA ASN A 14 40.223 18.320 23.477 1.00 0.00 C ATOM 227 C ASN A 14 38.856 18.508 22.786 1.00 0.00 C ATOM 228 O ASN A 14 37.957 17.679 22.954 1.00 0.00 O ATOM 229 CB ASN A 14 41.052 17.185 22.848 1.00 0.00 C ATOM 230 CG ASN A 14 41.518 17.513 21.440 1.00 0.00 C ATOM 231 OD1 ASN A 14 41.403 18.630 20.959 1.00 0.00 O ATOM 232 ND2 ASN A 14 42.077 16.575 20.727 1.00 0.00 N ATOM 0 H ASN A 14 40.289 17.095 25.173 1.00 0.00 H new ATOM 0 HA ASN A 14 40.768 19.253 23.338 1.00 0.00 H new ATOM 0 HB2 ASN A 14 41.920 16.983 23.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 40.455 16.273 22.826 1.00 0.00 H new ATOM 0 HD21 ASN A 14 42.409 16.780 19.785 1.00 0.00 H new ATOM 0 HD22 ASN A 14 42.182 15.636 21.112 1.00 0.00 H new ATOM 239 N VAL A 15 38.681 19.597 22.030 1.00 0.00 N ATOM 240 CA VAL A 15 37.373 19.994 21.481 1.00 0.00 C ATOM 241 C VAL A 15 37.497 20.833 20.200 1.00 0.00 C ATOM 242 O VAL A 15 38.171 21.862 20.163 1.00 0.00 O ATOM 243 CB VAL A 15 36.549 20.707 22.583 1.00 0.00 C ATOM 244 CG1 VAL A 15 37.201 21.977 23.148 1.00 0.00 C ATOM 245 CG2 VAL A 15 35.130 21.044 22.116 1.00 0.00 C ATOM 0 H VAL A 15 39.440 20.230 21.779 1.00 0.00 H new ATOM 0 HA VAL A 15 36.839 19.094 21.176 1.00 0.00 H new ATOM 0 HB VAL A 15 36.512 19.976 23.390 1.00 0.00 H new ATOM 0 HG11 VAL A 15 36.555 22.409 23.912 1.00 0.00 H new ATOM 0 HG12 VAL A 15 38.166 21.726 23.588 1.00 0.00 H new ATOM 0 HG13 VAL A 15 37.346 22.700 22.345 1.00 0.00 H new ATOM 0 HG21 VAL A 15 34.591 21.542 22.921 1.00 0.00 H new ATOM 0 HG22 VAL A 15 35.179 21.704 21.250 1.00 0.00 H new ATOM 0 HG23 VAL A 15 34.609 20.126 21.844 1.00 0.00 H new ATOM 255 N SER A 16 36.799 20.420 19.142 1.00 0.00 N ATOM 256 CA SER A 16 36.610 21.174 17.894 1.00 0.00 C ATOM 257 C SER A 16 35.116 21.282 17.550 1.00 0.00 C ATOM 258 O SER A 16 34.267 20.769 18.283 1.00 0.00 O ATOM 259 CB SER A 16 37.411 20.512 16.765 1.00 0.00 C ATOM 260 OG SER A 16 37.372 21.328 15.612 1.00 0.00 O ATOM 0 H SER A 16 36.329 19.515 19.126 1.00 0.00 H new ATOM 0 HA SER A 16 36.984 22.190 18.023 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.443 20.359 17.080 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.997 19.529 16.541 1.00 0.00 H new ATOM 0 HG SER A 16 37.886 20.904 14.893 1.00 0.00 H new ATOM 266 N LYS A 17 34.789 21.944 16.433 1.00 0.00 N ATOM 267 CA LYS A 17 33.429 22.166 15.911 1.00 0.00 C ATOM 268 C LYS A 17 32.569 20.903 15.935 1.00 0.00 C ATOM 269 O LYS A 17 31.452 20.950 16.435 1.00 0.00 O ATOM 270 CB LYS A 17 33.541 22.729 14.481 1.00 0.00 C ATOM 271 CG LYS A 17 32.207 22.922 13.740 1.00 0.00 C ATOM 272 CD LYS A 17 31.181 23.751 14.530 1.00 0.00 C ATOM 273 CE LYS A 17 29.947 24.124 13.702 1.00 0.00 C ATOM 274 NZ LYS A 17 29.252 22.935 13.151 1.00 0.00 N ATOM 0 H LYS A 17 35.502 22.362 15.835 1.00 0.00 H new ATOM 0 HA LYS A 17 32.924 22.880 16.562 1.00 0.00 H new ATOM 0 HB2 LYS A 17 34.054 23.690 14.526 1.00 0.00 H new ATOM 0 HB3 LYS A 17 34.170 22.060 13.894 1.00 0.00 H new ATOM 0 HG2 LYS A 17 32.399 23.410 12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 17 31.779 21.944 13.518 1.00 0.00 H new ATOM 0 HD2 LYS A 17 30.866 23.187 15.408 1.00 0.00 H new ATOM 0 HD3 LYS A 17 31.659 24.662 14.891 1.00 0.00 H new ATOM 0 HE2 LYS A 17 29.254 24.690 14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 17 30.247 24.777 12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 28.406 23.239 12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 29.892 22.426 12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 28.970 22.306 13.930 1.00 0.00 H new ATOM 288 N GLU A 18 33.078 19.780 15.434 1.00 0.00 N ATOM 289 CA GLU A 18 32.322 18.522 15.395 1.00 0.00 C ATOM 290 C GLU A 18 32.038 17.966 16.800 1.00 0.00 C ATOM 291 O GLU A 18 30.944 17.452 17.040 1.00 0.00 O ATOM 292 CB GLU A 18 33.076 17.482 14.550 1.00 0.00 C ATOM 293 CG GLU A 18 32.958 17.710 13.035 1.00 0.00 C ATOM 294 CD GLU A 18 33.504 19.063 12.563 1.00 0.00 C ATOM 295 OE1 GLU A 18 34.686 19.390 12.832 1.00 0.00 O ATOM 296 OE2 GLU A 18 32.771 19.814 11.884 1.00 0.00 O ATOM 0 H GLU A 18 34.019 19.712 15.045 1.00 0.00 H new ATOM 0 HA GLU A 18 31.357 18.735 14.935 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.130 17.496 14.829 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.696 16.489 14.789 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.491 16.914 12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.910 17.632 12.747 1.00 0.00 H new ATOM 303 N ASP A 19 32.974 18.116 17.743 1.00 0.00 N ATOM 304 CA ASP A 19 32.822 17.652 19.127 1.00 0.00 C ATOM 305 C ASP A 19 31.776 18.481 19.877 1.00 0.00 C ATOM 306 O ASP A 19 30.774 17.943 20.345 1.00 0.00 O ATOM 307 CB ASP A 19 34.166 17.699 19.873 1.00 0.00 C ATOM 308 CG ASP A 19 35.300 17.011 19.125 1.00 0.00 C ATOM 309 OD1 ASP A 19 35.470 15.778 19.264 1.00 0.00 O ATOM 310 OD2 ASP A 19 36.057 17.715 18.417 1.00 0.00 O ATOM 0 H ASP A 19 33.870 18.569 17.565 1.00 0.00 H new ATOM 0 HA ASP A 19 32.479 16.618 19.090 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.437 18.740 20.051 1.00 0.00 H new ATOM 0 HB3 ASP A 19 34.047 17.229 20.849 1.00 0.00 H new ATOM 315 N LEU A 20 31.959 19.805 19.933 1.00 0.00 N ATOM 316 CA LEU A 20 31.019 20.705 20.608 1.00 0.00 C ATOM 317 C LEU A 20 29.634 20.700 19.940 1.00 0.00 C ATOM 318 O LEU A 20 28.623 20.868 20.621 1.00 0.00 O ATOM 319 CB LEU A 20 31.640 22.107 20.753 1.00 0.00 C ATOM 320 CG LEU A 20 31.911 22.839 19.424 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.720 23.687 18.974 1.00 0.00 C ATOM 322 CD2 LEU A 20 33.137 23.745 19.551 1.00 0.00 C ATOM 0 H LEU A 20 32.758 20.280 19.514 1.00 0.00 H new ATOM 0 HA LEU A 20 30.838 20.336 21.617 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.975 22.722 21.360 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.579 22.018 21.299 1.00 0.00 H new ATOM 0 HG LEU A 20 32.087 22.067 18.675 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.961 24.182 18.033 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.849 23.046 18.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.500 24.438 19.733 1.00 0.00 H new ATOM 0 HD21 LEU A 20 33.313 24.254 18.603 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.964 24.484 20.333 1.00 0.00 H new ATOM 0 HD23 LEU A 20 34.009 23.143 19.807 1.00 0.00 H new ATOM 334 N PHE A 21 29.563 20.452 18.626 1.00 0.00 N ATOM 335 CA PHE A 21 28.289 20.280 17.936 1.00 0.00 C ATOM 336 C PHE A 21 27.604 18.973 18.337 1.00 0.00 C ATOM 337 O PHE A 21 26.451 19.031 18.765 1.00 0.00 O ATOM 338 CB PHE A 21 28.467 20.387 16.417 1.00 0.00 C ATOM 339 CG PHE A 21 27.200 20.167 15.608 1.00 0.00 C ATOM 340 CD1 PHE A 21 26.007 20.844 15.935 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.215 19.281 14.514 1.00 0.00 C ATOM 342 CE1 PHE A 21 24.848 20.653 15.163 1.00 0.00 C ATOM 343 CE2 PHE A 21 26.051 19.083 13.751 1.00 0.00 C ATOM 344 CZ PHE A 21 24.872 19.778 14.067 1.00 0.00 C ATOM 0 H PHE A 21 30.380 20.367 18.021 1.00 0.00 H new ATOM 0 HA PHE A 21 27.631 21.091 18.247 1.00 0.00 H new ATOM 0 HB2 PHE A 21 28.865 21.374 16.181 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.214 19.659 16.101 1.00 0.00 H new ATOM 0 HD1 PHE A 21 25.984 21.513 16.783 1.00 0.00 H new ATOM 0 HD2 PHE A 21 28.122 18.753 14.261 1.00 0.00 H new ATOM 0 HE1 PHE A 21 23.939 21.180 15.414 1.00 0.00 H new ATOM 0 HE2 PHE A 21 26.063 18.394 12.919 1.00 0.00 H new ATOM 0 HZ PHE A 21 23.985 19.639 13.467 1.00 0.00 H new ATOM 354 N ARG A 22 28.266 17.806 18.271 1.00 0.00 N ATOM 355 CA ARG A 22 27.603 16.530 18.613 1.00 0.00 C ATOM 356 C ARG A 22 27.190 16.481 20.086 1.00 0.00 C ATOM 357 O ARG A 22 26.098 16.006 20.388 1.00 0.00 O ATOM 358 CB ARG A 22 28.433 15.301 18.182 1.00 0.00 C ATOM 359 CG ARG A 22 29.589 14.966 19.133 1.00 0.00 C ATOM 360 CD ARG A 22 30.393 13.729 18.733 1.00 0.00 C ATOM 361 NE ARG A 22 31.305 13.383 19.837 1.00 0.00 N ATOM 362 CZ ARG A 22 32.578 13.715 19.931 1.00 0.00 C ATOM 363 NH1 ARG A 22 33.277 14.117 18.912 1.00 0.00 N ATOM 364 NH2 ARG A 22 33.168 13.679 21.084 1.00 0.00 N ATOM 0 H ARG A 22 29.242 17.716 17.990 1.00 0.00 H new ATOM 0 HA ARG A 22 26.682 16.484 18.032 1.00 0.00 H new ATOM 0 HB2 ARG A 22 27.773 14.437 18.110 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.836 15.479 17.185 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.262 15.822 19.184 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.188 14.816 20.135 1.00 0.00 H new ATOM 0 HD2 ARG A 22 29.724 12.895 18.520 1.00 0.00 H new ATOM 0 HD3 ARG A 22 30.959 13.924 17.822 1.00 0.00 H new ATOM 0 HE ARG A 22 30.914 12.834 20.603 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.843 14.186 17.991 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.259 14.363 19.033 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.648 13.395 21.914 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.152 13.935 21.161 1.00 0.00 H new ATOM 378 N ILE A 23 28.009 17.010 21.002 1.00 0.00 N ATOM 379 CA ILE A 23 27.729 16.914 22.443 1.00 0.00 C ATOM 380 C ILE A 23 26.609 17.856 22.902 1.00 0.00 C ATOM 381 O ILE A 23 25.905 17.513 23.853 1.00 0.00 O ATOM 382 CB ILE A 23 29.005 17.046 23.303 1.00 0.00 C ATOM 383 CG1 ILE A 23 29.673 18.435 23.249 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.999 15.932 22.941 1.00 0.00 C ATOM 385 CD1 ILE A 23 29.394 19.265 24.507 1.00 0.00 C ATOM 0 H ILE A 23 28.869 17.508 20.774 1.00 0.00 H new ATOM 0 HA ILE A 23 27.351 15.905 22.606 1.00 0.00 H new ATOM 0 HB ILE A 23 28.687 16.933 24.339 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.749 18.313 23.128 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.313 18.975 22.373 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.896 16.032 23.552 1.00 0.00 H new ATOM 0 HG22 ILE A 23 29.540 14.961 23.126 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.267 16.012 21.887 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.886 20.234 24.420 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.319 19.412 24.615 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.778 18.740 25.382 1.00 0.00 H new ATOM 397 N PHE A 24 26.381 18.980 22.211 1.00 0.00 N ATOM 398 CA PHE A 24 25.255 19.878 22.493 1.00 0.00 C ATOM 399 C PHE A 24 24.045 19.714 21.546 1.00 0.00 C ATOM 400 O PHE A 24 22.962 20.206 21.868 1.00 0.00 O ATOM 401 CB PHE A 24 25.745 21.326 22.568 1.00 0.00 C ATOM 402 CG PHE A 24 26.659 21.671 23.740 1.00 0.00 C ATOM 403 CD1 PHE A 24 26.297 21.335 25.063 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.839 22.410 23.515 1.00 0.00 C ATOM 405 CE1 PHE A 24 27.091 21.752 26.146 1.00 0.00 C ATOM 406 CE2 PHE A 24 28.642 22.815 24.599 1.00 0.00 C ATOM 407 CZ PHE A 24 28.263 22.490 25.913 1.00 0.00 C ATOM 0 H PHE A 24 26.972 19.292 21.441 1.00 0.00 H new ATOM 0 HA PHE A 24 24.863 19.584 23.467 1.00 0.00 H new ATOM 0 HB2 PHE A 24 26.273 21.557 21.643 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.874 21.980 22.609 1.00 0.00 H new ATOM 0 HD1 PHE A 24 25.405 20.754 25.244 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.128 22.667 22.507 1.00 0.00 H new ATOM 0 HE1 PHE A 24 26.800 21.505 27.156 1.00 0.00 H new ATOM 0 HE2 PHE A 24 29.548 23.375 24.421 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.874 22.808 26.745 1.00 0.00 H new ATOM 417 N SER A 25 24.176 18.973 20.437 1.00 0.00 N ATOM 418 CA SER A 25 23.104 18.702 19.454 1.00 0.00 C ATOM 419 C SER A 25 21.743 18.309 20.050 1.00 0.00 C ATOM 420 O SER A 25 20.749 18.907 19.640 1.00 0.00 O ATOM 421 CB SER A 25 23.516 17.601 18.469 1.00 0.00 C ATOM 422 OG SER A 25 24.361 18.117 17.462 1.00 0.00 O ATOM 0 H SER A 25 25.059 18.528 20.186 1.00 0.00 H new ATOM 0 HA SER A 25 22.973 19.663 18.956 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.028 16.801 19.004 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.627 17.163 18.015 1.00 0.00 H new ATOM 0 HG SER A 25 25.206 18.410 17.862 1.00 0.00 H new ATOM 428 N PRO A 26 21.622 17.370 21.014 1.00 0.00 N ATOM 429 CA PRO A 26 20.313 16.977 21.547 1.00 0.00 C ATOM 430 C PRO A 26 19.635 18.066 22.402 1.00 0.00 C ATOM 431 O PRO A 26 18.462 17.920 22.758 1.00 0.00 O ATOM 432 CB PRO A 26 20.556 15.675 22.318 1.00 0.00 C ATOM 433 CG PRO A 26 22.019 15.765 22.733 1.00 0.00 C ATOM 434 CD PRO A 26 22.661 16.507 21.564 1.00 0.00 C ATOM 0 HA PRO A 26 19.599 16.831 20.736 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.899 15.594 23.184 1.00 0.00 H new ATOM 0 HB3 PRO A 26 20.370 14.800 21.695 1.00 0.00 H new ATOM 0 HG2 PRO A 26 22.140 16.307 23.671 1.00 0.00 H new ATOM 0 HG3 PRO A 26 22.460 14.778 22.876 1.00 0.00 H new ATOM 0 HD2 PRO A 26 23.518 17.092 21.897 1.00 0.00 H new ATOM 0 HD3 PRO A 26 23.026 15.808 20.812 1.00 0.00 H new ATOM 442 N TYR A 27 20.335 19.163 22.701 1.00 0.00 N ATOM 443 CA TYR A 27 19.830 20.292 23.482 1.00 0.00 C ATOM 444 C TYR A 27 19.605 21.550 22.631 1.00 0.00 C ATOM 445 O TYR A 27 18.574 22.209 22.805 1.00 0.00 O ATOM 446 CB TYR A 27 20.786 20.581 24.643 1.00 0.00 C ATOM 447 CG TYR A 27 21.236 19.362 25.428 1.00 0.00 C ATOM 448 CD1 TYR A 27 20.431 18.818 26.446 1.00 0.00 C ATOM 449 CD2 TYR A 27 22.473 18.766 25.124 1.00 0.00 C ATOM 450 CE1 TYR A 27 20.883 17.697 27.169 1.00 0.00 C ATOM 451 CE2 TYR A 27 22.926 17.645 25.841 1.00 0.00 C ATOM 452 CZ TYR A 27 22.134 17.116 26.879 1.00 0.00 C ATOM 453 OH TYR A 27 22.578 16.069 27.620 1.00 0.00 O ATOM 0 H TYR A 27 21.300 19.293 22.396 1.00 0.00 H new ATOM 0 HA TYR A 27 18.852 20.011 23.874 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.668 21.086 24.249 1.00 0.00 H new ATOM 0 HB3 TYR A 27 20.300 21.276 25.328 1.00 0.00 H new ATOM 0 HD1 TYR A 27 19.471 19.258 26.672 1.00 0.00 H new ATOM 0 HD2 TYR A 27 23.082 19.174 24.331 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.267 17.280 27.951 1.00 0.00 H new ATOM 0 HE2 TYR A 27 23.876 17.192 25.598 1.00 0.00 H new ATOM 0 HH TYR A 27 23.441 15.764 27.271 1.00 0.00 H new ATOM 463 N GLY A 28 20.511 21.872 21.696 1.00 0.00 N ATOM 464 CA GLY A 28 20.497 23.144 20.969 1.00 0.00 C ATOM 465 C GLY A 28 20.976 23.102 19.513 1.00 0.00 C ATOM 466 O GLY A 28 21.533 22.114 19.035 1.00 0.00 O ATOM 0 H GLY A 28 21.275 21.254 21.424 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.479 23.534 20.983 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.119 23.855 21.513 1.00 0.00 H new ATOM 470 N HIS A 29 20.733 24.206 18.805 1.00 0.00 N ATOM 471 CA HIS A 29 20.776 24.316 17.338 1.00 0.00 C ATOM 472 C HIS A 29 22.128 24.758 16.738 1.00 0.00 C ATOM 473 O HIS A 29 22.327 24.560 15.544 1.00 0.00 O ATOM 474 CB HIS A 29 19.650 25.271 16.903 1.00 0.00 C ATOM 475 CG HIS A 29 18.239 24.777 17.120 1.00 0.00 C ATOM 476 ND1 HIS A 29 17.592 24.645 18.355 1.00 0.00 N ATOM 477 CD2 HIS A 29 17.340 24.513 16.128 1.00 0.00 C ATOM 478 CE1 HIS A 29 16.317 24.324 18.070 1.00 0.00 C ATOM 479 NE2 HIS A 29 16.143 24.220 16.743 1.00 0.00 N ATOM 0 H HIS A 29 20.490 25.089 19.254 1.00 0.00 H new ATOM 0 HA HIS A 29 20.637 23.309 16.944 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.771 26.211 17.441 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.777 25.491 15.843 1.00 0.00 H new ATOM 0 HD2 HIS A 29 17.530 24.530 15.065 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.542 24.171 18.806 1.00 0.00 H new ATOM 0 HE2 HIS A 29 15.274 23.968 16.272 1.00 0.00 H new ATOM 487 N ILE A 30 23.051 25.308 17.544 1.00 0.00 N ATOM 488 CA ILE A 30 24.407 25.803 17.178 1.00 0.00 C ATOM 489 C ILE A 30 24.446 26.944 16.126 1.00 0.00 C ATOM 490 O ILE A 30 23.522 27.124 15.341 1.00 0.00 O ATOM 491 CB ILE A 30 25.360 24.605 16.884 1.00 0.00 C ATOM 492 CG1 ILE A 30 26.688 24.645 17.682 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.625 24.358 15.389 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.837 25.506 17.133 1.00 0.00 C ATOM 0 H ILE A 30 22.866 25.431 18.539 1.00 0.00 H new ATOM 0 HA ILE A 30 24.795 26.321 18.055 1.00 0.00 H new ATOM 0 HB ILE A 30 24.794 23.747 17.247 1.00 0.00 H new ATOM 0 HG12 ILE A 30 26.461 24.995 18.689 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.053 23.622 17.774 1.00 0.00 H new ATOM 0 HG21 ILE A 30 26.297 23.508 15.274 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.683 24.147 14.883 1.00 0.00 H new ATOM 0 HG23 ILE A 30 26.083 25.244 14.949 1.00 0.00 H new ATOM 0 HD11 ILE A 30 28.697 25.433 17.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.115 25.152 16.140 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.515 26.545 17.070 1.00 0.00 H new ATOM 506 N MET A 31 25.514 27.751 16.121 1.00 0.00 N ATOM 507 CA MET A 31 25.842 28.742 15.080 1.00 0.00 C ATOM 508 C MET A 31 27.342 28.740 14.731 1.00 0.00 C ATOM 509 O MET A 31 27.667 28.414 13.591 1.00 0.00 O ATOM 510 CB MET A 31 25.384 30.166 15.467 1.00 0.00 C ATOM 511 CG MET A 31 23.939 30.508 15.089 1.00 0.00 C ATOM 512 SD MET A 31 23.705 31.076 13.384 1.00 0.00 S ATOM 513 CE MET A 31 23.099 29.572 12.574 1.00 0.00 C ATOM 0 H MET A 31 26.204 27.733 16.872 1.00 0.00 H new ATOM 0 HA MET A 31 25.288 28.440 14.191 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.500 30.288 16.544 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.048 30.887 14.991 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.319 29.626 15.250 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.576 31.281 15.766 1.00 0.00 H new ATOM 0 HE1 MET A 31 22.602 29.836 11.641 1.00 0.00 H new ATOM 0 HE2 MET A 31 23.938 28.909 12.363 1.00 0.00 H new ATOM 0 HE3 MET A 31 22.392 29.065 13.230 1.00 0.00 H new ATOM 523 N GLN A 32 28.240 29.109 15.659 1.00 0.00 N ATOM 524 CA GLN A 32 29.671 29.386 15.394 1.00 0.00 C ATOM 525 C GLN A 32 30.533 29.265 16.678 1.00 0.00 C ATOM 526 O GLN A 32 29.969 29.206 17.767 1.00 0.00 O ATOM 527 CB GLN A 32 29.759 30.787 14.750 1.00 0.00 C ATOM 528 CG GLN A 32 31.115 31.203 14.157 1.00 0.00 C ATOM 529 CD GLN A 32 31.610 30.368 12.976 1.00 0.00 C ATOM 530 OE1 GLN A 32 31.059 29.342 12.595 1.00 0.00 O ATOM 531 NE2 GLN A 32 32.707 30.749 12.371 1.00 0.00 N ATOM 0 H GLN A 32 27.990 29.227 16.641 1.00 0.00 H new ATOM 0 HA GLN A 32 30.080 28.642 14.711 1.00 0.00 H new ATOM 0 HB2 GLN A 32 29.012 30.842 13.958 1.00 0.00 H new ATOM 0 HB3 GLN A 32 29.479 31.523 15.503 1.00 0.00 H new ATOM 0 HG2 GLN A 32 31.047 32.243 13.839 1.00 0.00 H new ATOM 0 HG3 GLN A 32 31.864 31.160 14.947 1.00 0.00 H new ATOM 0 HE21 GLN A 32 33.185 31.599 12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 32 33.084 30.195 11.602 1.00 0.00 H new ATOM 540 N ILE A 33 31.875 29.192 16.599 1.00 0.00 N ATOM 541 CA ILE A 33 32.739 28.766 17.730 1.00 0.00 C ATOM 542 C ILE A 33 33.910 29.712 18.073 1.00 0.00 C ATOM 543 O ILE A 33 34.529 30.299 17.181 1.00 0.00 O ATOM 544 CB ILE A 33 33.258 27.324 17.500 1.00 0.00 C ATOM 545 CG1 ILE A 33 34.277 27.186 16.341 1.00 0.00 C ATOM 546 CG2 ILE A 33 32.069 26.374 17.270 1.00 0.00 C ATOM 547 CD1 ILE A 33 35.066 25.869 16.381 1.00 0.00 C ATOM 0 H ILE A 33 32.396 29.425 15.753 1.00 0.00 H new ATOM 0 HA ILE A 33 32.089 28.805 18.604 1.00 0.00 H new ATOM 0 HB ILE A 33 33.801 27.053 18.405 1.00 0.00 H new ATOM 0 HG12 ILE A 33 33.748 27.256 15.391 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.976 28.022 16.379 1.00 0.00 H new ATOM 0 HG21 ILE A 33 32.438 25.361 17.109 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.418 26.388 18.144 1.00 0.00 H new ATOM 0 HG23 ILE A 33 31.508 26.699 16.394 1.00 0.00 H new ATOM 0 HD11 ILE A 33 35.762 25.836 15.542 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.622 25.806 17.316 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.375 25.029 16.313 1.00 0.00 H new ATOM 559 N ASN A 34 34.281 29.790 19.361 1.00 0.00 N ATOM 560 CA ASN A 34 35.565 30.318 19.847 1.00 0.00 C ATOM 561 C ASN A 34 35.931 29.755 21.246 1.00 0.00 C ATOM 562 O ASN A 34 35.560 30.313 22.282 1.00 0.00 O ATOM 563 CB ASN A 34 35.512 31.859 19.866 1.00 0.00 C ATOM 564 CG ASN A 34 36.852 32.477 20.227 1.00 0.00 C ATOM 565 OD1 ASN A 34 37.899 31.842 20.201 1.00 0.00 O ATOM 566 ND2 ASN A 34 36.874 33.751 20.525 1.00 0.00 N ATOM 0 H ASN A 34 33.674 29.476 20.118 1.00 0.00 H new ATOM 0 HA ASN A 34 36.350 29.993 19.165 1.00 0.00 H new ATOM 0 HB2 ASN A 34 35.199 32.222 18.887 1.00 0.00 H new ATOM 0 HB3 ASN A 34 34.759 32.186 20.583 1.00 0.00 H new ATOM 0 HD21 ASN A 34 37.760 34.211 20.734 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.005 34.284 20.548 1.00 0.00 H new ATOM 573 N ILE A 35 36.679 28.647 21.293 1.00 0.00 N ATOM 574 CA ILE A 35 37.167 28.034 22.543 1.00 0.00 C ATOM 575 C ILE A 35 38.651 28.367 22.754 1.00 0.00 C ATOM 576 O ILE A 35 39.448 28.297 21.815 1.00 0.00 O ATOM 577 CB ILE A 35 36.867 26.514 22.571 1.00 0.00 C ATOM 578 CG1 ILE A 35 35.333 26.294 22.509 1.00 0.00 C ATOM 579 CG2 ILE A 35 37.473 25.853 23.825 1.00 0.00 C ATOM 580 CD1 ILE A 35 34.883 24.830 22.554 1.00 0.00 C ATOM 0 H ILE A 35 36.969 28.141 20.456 1.00 0.00 H new ATOM 0 HA ILE A 35 36.627 28.460 23.388 1.00 0.00 H new ATOM 0 HB ILE A 35 37.329 26.043 21.704 1.00 0.00 H new ATOM 0 HG12 ILE A 35 34.872 26.825 23.341 1.00 0.00 H new ATOM 0 HG13 ILE A 35 34.954 26.746 21.593 1.00 0.00 H new ATOM 0 HG21 ILE A 35 37.247 24.787 23.819 1.00 0.00 H new ATOM 0 HG22 ILE A 35 38.554 25.995 23.825 1.00 0.00 H new ATOM 0 HG23 ILE A 35 37.047 26.309 24.719 1.00 0.00 H new ATOM 0 HD11 ILE A 35 33.795 24.782 22.505 1.00 0.00 H new ATOM 0 HD12 ILE A 35 35.308 24.292 21.707 1.00 0.00 H new ATOM 0 HD13 ILE A 35 35.225 24.373 23.482 1.00 0.00 H new ATOM 592 N LYS A 36 39.022 28.713 23.992 1.00 0.00 N ATOM 593 CA LYS A 36 40.393 28.987 24.450 1.00 0.00 C ATOM 594 C LYS A 36 40.460 28.798 25.967 1.00 0.00 C ATOM 595 O LYS A 36 39.500 29.141 26.651 1.00 0.00 O ATOM 596 CB LYS A 36 40.782 30.426 24.054 1.00 0.00 C ATOM 597 CG LYS A 36 42.200 30.817 24.503 1.00 0.00 C ATOM 598 CD LYS A 36 42.564 32.212 23.989 1.00 0.00 C ATOM 599 CE LYS A 36 43.931 32.631 24.529 1.00 0.00 C ATOM 600 NZ LYS A 36 44.346 33.948 23.995 1.00 0.00 N ATOM 0 H LYS A 36 38.339 28.815 24.743 1.00 0.00 H new ATOM 0 HA LYS A 36 41.096 28.298 23.982 1.00 0.00 H new ATOM 0 HB2 LYS A 36 40.709 30.530 22.971 1.00 0.00 H new ATOM 0 HB3 LYS A 36 40.065 31.122 24.490 1.00 0.00 H new ATOM 0 HG2 LYS A 36 42.261 30.797 25.591 1.00 0.00 H new ATOM 0 HG3 LYS A 36 42.919 30.087 24.130 1.00 0.00 H new ATOM 0 HD2 LYS A 36 42.579 32.214 22.899 1.00 0.00 H new ATOM 0 HD3 LYS A 36 41.806 32.931 24.299 1.00 0.00 H new ATOM 0 HE2 LYS A 36 43.896 32.674 25.618 1.00 0.00 H new ATOM 0 HE3 LYS A 36 44.674 31.879 24.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 45.278 34.202 24.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 44.403 33.900 22.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 43.649 34.669 24.270 1.00 0.00 H new ATOM 614 N ASN A 37 41.597 28.335 26.496 1.00 0.00 N ATOM 615 CA ASN A 37 41.798 28.088 27.933 1.00 0.00 C ATOM 616 C ASN A 37 40.795 27.039 28.483 1.00 0.00 C ATOM 617 O ASN A 37 40.237 26.245 27.729 1.00 0.00 O ATOM 618 CB ASN A 37 41.765 29.458 28.656 1.00 0.00 C ATOM 619 CG ASN A 37 42.417 29.475 30.025 1.00 0.00 C ATOM 620 OD1 ASN A 37 41.789 29.205 31.040 1.00 0.00 O ATOM 621 ND2 ASN A 37 43.686 29.771 30.102 1.00 0.00 N ATOM 0 H ASN A 37 42.418 28.117 25.932 1.00 0.00 H new ATOM 0 HA ASN A 37 42.771 27.633 28.121 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.259 30.197 28.025 1.00 0.00 H new ATOM 0 HB3 ASN A 37 40.726 29.772 28.761 1.00 0.00 H new ATOM 0 HD21 ASN A 37 44.154 29.777 31.008 1.00 0.00 H new ATOM 0 HD22 ASN A 37 44.209 29.996 29.256 1.00 0.00 H new ATOM 628 N ALA A 38 40.574 27.002 29.797 1.00 0.00 N ATOM 629 CA ALA A 38 39.659 26.086 30.484 1.00 0.00 C ATOM 630 C ALA A 38 38.162 26.364 30.225 1.00 0.00 C ATOM 631 O ALA A 38 37.316 25.567 30.632 1.00 0.00 O ATOM 632 CB ALA A 38 39.982 26.196 31.980 1.00 0.00 C ATOM 0 H ALA A 38 41.047 27.636 30.441 1.00 0.00 H new ATOM 0 HA ALA A 38 39.813 25.079 30.095 1.00 0.00 H new ATOM 0 HB1 ALA A 38 39.327 25.532 32.543 1.00 0.00 H new ATOM 0 HB2 ALA A 38 41.020 25.912 32.150 1.00 0.00 H new ATOM 0 HB3 ALA A 38 39.828 27.223 32.311 1.00 0.00 H new ATOM 638 N PHE A 39 37.844 27.495 29.593 1.00 0.00 N ATOM 639 CA PHE A 39 36.501 28.002 29.308 1.00 0.00 C ATOM 640 C PHE A 39 36.209 27.974 27.796 1.00 0.00 C ATOM 641 O PHE A 39 37.032 27.528 26.996 1.00 0.00 O ATOM 642 CB PHE A 39 36.383 29.406 29.937 1.00 0.00 C ATOM 643 CG PHE A 39 37.510 30.380 29.638 1.00 0.00 C ATOM 644 CD1 PHE A 39 37.610 31.001 28.378 1.00 0.00 C ATOM 645 CD2 PHE A 39 38.450 30.691 30.641 1.00 0.00 C ATOM 646 CE1 PHE A 39 38.650 31.912 28.119 1.00 0.00 C ATOM 647 CE2 PHE A 39 39.485 31.607 30.384 1.00 0.00 C ATOM 648 CZ PHE A 39 39.590 32.213 29.119 1.00 0.00 C ATOM 0 H PHE A 39 38.567 28.123 29.243 1.00 0.00 H new ATOM 0 HA PHE A 39 35.738 27.363 29.752 1.00 0.00 H new ATOM 0 HB2 PHE A 39 35.448 29.853 29.600 1.00 0.00 H new ATOM 0 HB3 PHE A 39 36.310 29.290 31.018 1.00 0.00 H new ATOM 0 HD1 PHE A 39 36.886 30.777 27.608 1.00 0.00 H new ATOM 0 HD2 PHE A 39 38.375 30.223 31.612 1.00 0.00 H new ATOM 0 HE1 PHE A 39 38.726 32.381 27.149 1.00 0.00 H new ATOM 0 HE2 PHE A 39 40.200 31.845 31.158 1.00 0.00 H new ATOM 0 HZ PHE A 39 40.391 32.908 28.917 1.00 0.00 H new ATOM 658 N GLY A 40 35.035 28.440 27.364 1.00 0.00 N ATOM 659 CA GLY A 40 34.740 28.526 25.931 1.00 0.00 C ATOM 660 C GLY A 40 33.501 29.339 25.579 1.00 0.00 C ATOM 661 O GLY A 40 32.512 29.325 26.312 1.00 0.00 O ATOM 0 H GLY A 40 34.283 28.759 27.975 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.600 28.963 25.423 1.00 0.00 H new ATOM 0 HA3 GLY A 40 34.618 27.516 25.539 1.00 0.00 H new ATOM 665 N PHE A 41 33.554 30.015 24.430 1.00 0.00 N ATOM 666 CA PHE A 41 32.428 30.712 23.813 1.00 0.00 C ATOM 667 C PHE A 41 31.946 29.915 22.595 1.00 0.00 C ATOM 668 O PHE A 41 32.737 29.471 21.760 1.00 0.00 O ATOM 669 CB PHE A 41 32.828 32.143 23.406 1.00 0.00 C ATOM 670 CG PHE A 41 33.347 33.029 24.527 1.00 0.00 C ATOM 671 CD1 PHE A 41 34.686 32.923 24.953 1.00 0.00 C ATOM 672 CD2 PHE A 41 32.507 33.992 25.121 1.00 0.00 C ATOM 673 CE1 PHE A 41 35.171 33.747 25.983 1.00 0.00 C ATOM 674 CE2 PHE A 41 32.990 34.818 26.153 1.00 0.00 C ATOM 675 CZ PHE A 41 34.321 34.690 26.590 1.00 0.00 C ATOM 0 H PHE A 41 34.413 30.094 23.886 1.00 0.00 H new ATOM 0 HA PHE A 41 31.615 30.789 24.535 1.00 0.00 H new ATOM 0 HB2 PHE A 41 33.595 32.080 22.634 1.00 0.00 H new ATOM 0 HB3 PHE A 41 31.962 32.628 22.956 1.00 0.00 H new ATOM 0 HD1 PHE A 41 35.343 32.205 24.485 1.00 0.00 H new ATOM 0 HD2 PHE A 41 31.487 34.097 24.782 1.00 0.00 H new ATOM 0 HE1 PHE A 41 36.197 33.656 26.309 1.00 0.00 H new ATOM 0 HE2 PHE A 41 32.339 35.550 26.609 1.00 0.00 H new ATOM 0 HZ PHE A 41 34.690 35.315 27.390 1.00 0.00 H new ATOM 685 N ILE A 42 30.636 29.725 22.478 1.00 0.00 N ATOM 686 CA ILE A 42 30.004 29.107 21.314 1.00 0.00 C ATOM 687 C ILE A 42 28.747 29.913 21.000 1.00 0.00 C ATOM 688 O ILE A 42 27.835 30.008 21.816 1.00 0.00 O ATOM 689 CB ILE A 42 29.673 27.614 21.559 1.00 0.00 C ATOM 690 CG1 ILE A 42 30.882 26.769 22.036 1.00 0.00 C ATOM 691 CG2 ILE A 42 29.116 27.025 20.250 1.00 0.00 C ATOM 692 CD1 ILE A 42 30.471 25.413 22.623 1.00 0.00 C ATOM 0 H ILE A 42 29.971 30.000 23.201 1.00 0.00 H new ATOM 0 HA ILE A 42 30.689 29.122 20.466 1.00 0.00 H new ATOM 0 HB ILE A 42 28.944 27.572 22.368 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.558 26.606 21.197 1.00 0.00 H new ATOM 0 HG13 ILE A 42 31.437 27.331 22.787 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.875 25.972 20.398 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.215 27.566 19.962 1.00 0.00 H new ATOM 0 HG23 ILE A 42 29.863 27.119 19.462 1.00 0.00 H new ATOM 0 HD11 ILE A 42 31.361 24.868 22.939 1.00 0.00 H new ATOM 0 HD12 ILE A 42 29.818 25.571 23.482 1.00 0.00 H new ATOM 0 HD13 ILE A 42 29.941 24.834 21.866 1.00 0.00 H new ATOM 704 N GLN A 43 28.661 30.491 19.810 1.00 0.00 N ATOM 705 CA GLN A 43 27.405 31.042 19.326 1.00 0.00 C ATOM 706 C GLN A 43 26.460 29.901 18.943 1.00 0.00 C ATOM 707 O GLN A 43 26.852 28.927 18.300 1.00 0.00 O ATOM 708 CB GLN A 43 27.644 32.038 18.190 1.00 0.00 C ATOM 709 CG GLN A 43 28.340 33.297 18.727 1.00 0.00 C ATOM 710 CD GLN A 43 28.660 34.260 17.598 1.00 0.00 C ATOM 711 OE1 GLN A 43 29.726 34.209 16.997 1.00 0.00 O ATOM 712 NE2 GLN A 43 27.757 35.148 17.267 1.00 0.00 N ATOM 0 H GLN A 43 29.444 30.590 19.164 1.00 0.00 H new ATOM 0 HA GLN A 43 26.921 31.611 20.120 1.00 0.00 H new ATOM 0 HB2 GLN A 43 28.257 31.577 17.415 1.00 0.00 H new ATOM 0 HB3 GLN A 43 26.695 32.308 17.727 1.00 0.00 H new ATOM 0 HG2 GLN A 43 27.699 33.788 19.459 1.00 0.00 H new ATOM 0 HG3 GLN A 43 29.258 33.018 19.244 1.00 0.00 H new ATOM 0 HE21 GLN A 43 26.871 35.186 17.771 1.00 0.00 H new ATOM 0 HE22 GLN A 43 27.940 35.802 16.505 1.00 0.00 H new ATOM 721 N PHE A 44 25.198 30.041 19.325 1.00 0.00 N ATOM 722 CA PHE A 44 24.103 29.118 19.045 1.00 0.00 C ATOM 723 C PHE A 44 22.990 29.842 18.294 1.00 0.00 C ATOM 724 O PHE A 44 22.927 31.069 18.285 1.00 0.00 O ATOM 725 CB PHE A 44 23.591 28.496 20.353 1.00 0.00 C ATOM 726 CG PHE A 44 24.262 27.192 20.735 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.593 27.183 21.189 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.558 25.977 20.630 1.00 0.00 C ATOM 729 CE1 PHE A 44 26.213 25.965 21.509 1.00 0.00 C ATOM 730 CE2 PHE A 44 24.183 24.757 20.937 1.00 0.00 C ATOM 731 CZ PHE A 44 25.518 24.756 21.372 1.00 0.00 C ATOM 0 H PHE A 44 24.892 30.847 19.870 1.00 0.00 H new ATOM 0 HA PHE A 44 24.463 28.309 18.410 1.00 0.00 H new ATOM 0 HB2 PHE A 44 23.733 29.213 21.161 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.518 28.325 20.263 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.137 28.111 21.291 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.527 25.983 20.310 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.233 25.960 21.863 1.00 0.00 H new ATOM 0 HE2 PHE A 44 23.641 23.828 20.839 1.00 0.00 H new ATOM 0 HZ PHE A 44 26.010 23.822 21.601 1.00 0.00 H new ATOM 741 N ASP A 45 22.087 29.085 17.685 1.00 0.00 N ATOM 742 CA ASP A 45 20.782 29.609 17.304 1.00 0.00 C ATOM 743 C ASP A 45 19.797 29.434 18.477 1.00 0.00 C ATOM 744 O ASP A 45 19.807 28.380 19.109 1.00 0.00 O ATOM 745 CB ASP A 45 20.350 28.930 16.007 1.00 0.00 C ATOM 746 CG ASP A 45 18.979 29.398 15.550 1.00 0.00 C ATOM 747 OD1 ASP A 45 17.962 28.858 16.042 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.914 30.245 14.633 1.00 0.00 O ATOM 0 H ASP A 45 22.234 28.105 17.444 1.00 0.00 H new ATOM 0 HA ASP A 45 20.813 30.680 17.103 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.083 29.138 15.227 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.335 27.850 16.151 1.00 0.00 H new ATOM 753 N ASN A 46 18.994 30.469 18.755 1.00 0.00 N ATOM 754 CA ASN A 46 17.984 30.633 19.824 1.00 0.00 C ATOM 755 C ASN A 46 18.427 30.403 21.307 1.00 0.00 C ATOM 756 O ASN A 46 19.169 29.468 21.623 1.00 0.00 O ATOM 757 CB ASN A 46 16.648 29.969 19.418 1.00 0.00 C ATOM 758 CG ASN A 46 16.583 28.457 19.544 1.00 0.00 C ATOM 759 OD1 ASN A 46 16.167 27.919 20.566 1.00 0.00 O ATOM 760 ND2 ASN A 46 16.931 27.733 18.505 1.00 0.00 N ATOM 0 H ASN A 46 19.036 31.308 18.176 1.00 0.00 H new ATOM 0 HA ASN A 46 17.825 31.710 19.882 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.853 30.398 20.029 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.434 30.236 18.383 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.856 26.716 18.544 1.00 0.00 H new ATOM 0 HD22 ASN A 46 17.276 28.187 17.659 1.00 0.00 H new ATOM 767 N PRO A 47 17.968 31.237 22.270 1.00 0.00 N ATOM 768 CA PRO A 47 18.483 31.243 23.648 1.00 0.00 C ATOM 769 C PRO A 47 18.042 30.041 24.481 1.00 0.00 C ATOM 770 O PRO A 47 18.774 29.612 25.370 1.00 0.00 O ATOM 771 CB PRO A 47 17.969 32.540 24.274 1.00 0.00 C ATOM 772 CG PRO A 47 16.656 32.775 23.532 1.00 0.00 C ATOM 773 CD PRO A 47 17.001 32.315 22.118 1.00 0.00 C ATOM 0 HA PRO A 47 19.571 31.179 23.628 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.814 32.437 25.348 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.668 33.364 24.130 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.837 32.197 23.960 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.355 33.822 23.558 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.111 31.969 21.592 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.419 33.134 21.533 1.00 0.00 H new ATOM 781 N GLN A 48 16.887 29.447 24.178 1.00 0.00 N ATOM 782 CA GLN A 48 16.435 28.229 24.854 1.00 0.00 C ATOM 783 C GLN A 48 17.366 27.048 24.537 1.00 0.00 C ATOM 784 O GLN A 48 17.683 26.237 25.409 1.00 0.00 O ATOM 785 CB GLN A 48 14.985 27.946 24.468 1.00 0.00 C ATOM 786 CG GLN A 48 14.081 29.075 24.982 1.00 0.00 C ATOM 787 CD GLN A 48 12.627 28.755 24.721 1.00 0.00 C ATOM 788 OE1 GLN A 48 11.902 28.306 25.603 1.00 0.00 O ATOM 789 NE2 GLN A 48 12.159 28.930 23.510 1.00 0.00 N ATOM 0 H GLN A 48 16.244 29.792 23.465 1.00 0.00 H new ATOM 0 HA GLN A 48 16.476 28.372 25.934 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.897 27.862 23.385 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.666 26.992 24.889 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.241 29.218 26.051 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.346 30.012 24.492 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.764 29.303 22.779 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.190 28.693 23.299 1.00 0.00 H new ATOM 798 N SER A 49 17.875 27.019 23.304 1.00 0.00 N ATOM 799 CA SER A 49 18.897 26.092 22.818 1.00 0.00 C ATOM 800 C SER A 49 20.263 26.330 23.487 1.00 0.00 C ATOM 801 O SER A 49 20.922 25.360 23.865 1.00 0.00 O ATOM 802 CB SER A 49 18.901 26.206 21.288 1.00 0.00 C ATOM 803 OG SER A 49 20.170 26.342 20.703 1.00 0.00 O ATOM 0 H SER A 49 17.571 27.673 22.583 1.00 0.00 H new ATOM 0 HA SER A 49 18.669 25.062 23.093 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.420 25.321 20.872 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.293 27.064 21.002 1.00 0.00 H new ATOM 0 HG SER A 49 20.164 27.100 20.082 1.00 0.00 H new ATOM 809 N VAL A 50 20.641 27.593 23.758 1.00 0.00 N ATOM 810 CA VAL A 50 21.795 27.930 24.621 1.00 0.00 C ATOM 811 C VAL A 50 21.621 27.357 26.027 1.00 0.00 C ATOM 812 O VAL A 50 22.463 26.587 26.486 1.00 0.00 O ATOM 813 CB VAL A 50 22.044 29.454 24.729 1.00 0.00 C ATOM 814 CG1 VAL A 50 23.086 29.812 25.799 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.548 30.039 23.416 1.00 0.00 C ATOM 0 H VAL A 50 20.157 28.410 23.386 1.00 0.00 H new ATOM 0 HA VAL A 50 22.662 27.478 24.140 1.00 0.00 H new ATOM 0 HB VAL A 50 21.075 29.874 24.998 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.219 30.893 25.830 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.743 29.461 26.772 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.036 29.336 25.555 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.710 31.110 23.534 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.486 29.558 23.140 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.808 29.868 22.634 1.00 0.00 H new ATOM 825 N ARG A 51 20.559 27.747 26.743 1.00 0.00 N ATOM 826 CA ARG A 51 20.437 27.426 28.174 1.00 0.00 C ATOM 827 C ARG A 51 20.245 25.940 28.425 1.00 0.00 C ATOM 828 O ARG A 51 20.844 25.427 29.360 1.00 0.00 O ATOM 829 CB ARG A 51 19.409 28.323 28.883 1.00 0.00 C ATOM 830 CG ARG A 51 17.967 28.277 28.351 1.00 0.00 C ATOM 831 CD ARG A 51 17.064 27.157 28.882 1.00 0.00 C ATOM 832 NE ARG A 51 16.929 27.187 30.348 1.00 0.00 N ATOM 833 CZ ARG A 51 16.951 26.158 31.174 1.00 0.00 C ATOM 834 NH1 ARG A 51 17.032 24.922 30.769 1.00 0.00 N ATOM 835 NH2 ARG A 51 16.897 26.400 32.447 1.00 0.00 N ATOM 0 H ARG A 51 19.778 28.280 26.361 1.00 0.00 H new ATOM 0 HA ARG A 51 21.394 27.663 28.639 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.391 28.051 29.938 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.760 29.353 28.826 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.492 29.231 28.578 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.009 28.192 27.265 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.077 27.245 28.428 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.470 26.192 28.578 1.00 0.00 H new ATOM 0 HE ARG A 51 16.805 28.106 30.773 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.082 24.714 29.772 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.046 24.162 31.449 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.840 27.362 32.781 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.912 25.628 33.114 1.00 0.00 H new ATOM 849 N ASP A 52 19.517 25.219 27.571 1.00 0.00 N ATOM 850 CA ASP A 52 19.348 23.772 27.739 1.00 0.00 C ATOM 851 C ASP A 52 20.678 23.021 27.590 1.00 0.00 C ATOM 852 O ASP A 52 20.937 22.090 28.349 1.00 0.00 O ATOM 853 CB ASP A 52 18.328 23.230 26.732 1.00 0.00 C ATOM 854 CG ASP A 52 16.879 23.621 27.025 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.527 23.961 28.179 1.00 0.00 O ATOM 856 OD2 ASP A 52 16.046 23.481 26.101 1.00 0.00 O ATOM 0 H ASP A 52 19.037 25.609 26.760 1.00 0.00 H new ATOM 0 HA ASP A 52 18.980 23.605 28.751 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.593 23.587 25.737 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.400 22.143 26.710 1.00 0.00 H new ATOM 861 N ALA A 53 21.547 23.452 26.670 1.00 0.00 N ATOM 862 CA ALA A 53 22.868 22.861 26.477 1.00 0.00 C ATOM 863 C ALA A 53 23.745 22.995 27.738 1.00 0.00 C ATOM 864 O ALA A 53 24.292 22.004 28.226 1.00 0.00 O ATOM 865 CB ALA A 53 23.488 23.517 25.238 1.00 0.00 C ATOM 0 H ALA A 53 21.349 24.226 26.036 1.00 0.00 H new ATOM 0 HA ALA A 53 22.788 21.787 26.311 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.479 23.099 25.062 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.855 23.328 24.371 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.571 24.592 25.399 1.00 0.00 H new ATOM 871 N ILE A 54 23.823 24.194 28.327 1.00 0.00 N ATOM 872 CA ILE A 54 24.624 24.401 29.545 1.00 0.00 C ATOM 873 C ILE A 54 23.968 23.725 30.757 1.00 0.00 C ATOM 874 O ILE A 54 24.597 22.952 31.479 1.00 0.00 O ATOM 875 CB ILE A 54 24.859 25.894 29.870 1.00 0.00 C ATOM 876 CG1 ILE A 54 25.195 26.790 28.662 1.00 0.00 C ATOM 877 CG2 ILE A 54 26.027 25.953 30.865 1.00 0.00 C ATOM 878 CD1 ILE A 54 25.135 28.296 28.971 1.00 0.00 C ATOM 0 H ILE A 54 23.347 25.030 27.986 1.00 0.00 H new ATOM 0 HA ILE A 54 25.593 23.946 29.341 1.00 0.00 H new ATOM 0 HB ILE A 54 23.921 26.287 30.263 1.00 0.00 H new ATOM 0 HG12 ILE A 54 26.194 26.542 28.304 1.00 0.00 H new ATOM 0 HG13 ILE A 54 24.501 26.567 27.852 1.00 0.00 H new ATOM 0 HG21 ILE A 54 26.231 26.992 31.125 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.766 25.398 31.766 1.00 0.00 H new ATOM 0 HG23 ILE A 54 26.914 25.512 30.411 1.00 0.00 H new ATOM 0 HD11 ILE A 54 25.383 28.862 28.073 1.00 0.00 H new ATOM 0 HD12 ILE A 54 24.130 28.560 29.300 1.00 0.00 H new ATOM 0 HD13 ILE A 54 25.849 28.534 29.759 1.00 0.00 H new ATOM 890 N GLU A 55 22.687 24.005 30.989 1.00 0.00 N ATOM 891 CA GLU A 55 21.982 23.580 32.197 1.00 0.00 C ATOM 892 C GLU A 55 21.845 22.050 32.252 1.00 0.00 C ATOM 893 O GLU A 55 21.921 21.473 33.341 1.00 0.00 O ATOM 894 CB GLU A 55 20.606 24.274 32.267 1.00 0.00 C ATOM 895 CG GLU A 55 20.675 25.813 32.401 1.00 0.00 C ATOM 896 CD GLU A 55 20.917 26.306 33.831 1.00 0.00 C ATOM 897 OE1 GLU A 55 21.380 25.510 34.690 1.00 0.00 O ATOM 898 OE2 GLU A 55 20.618 27.492 34.122 1.00 0.00 O ATOM 0 H GLU A 55 22.106 24.536 30.341 1.00 0.00 H new ATOM 0 HA GLU A 55 22.565 23.878 33.068 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.040 24.024 31.369 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.052 23.872 33.115 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.472 26.187 31.759 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.742 26.241 32.033 1.00 0.00 H new ATOM 905 N CYS A 56 21.688 21.382 31.104 1.00 0.00 N ATOM 906 CA CYS A 56 21.439 19.945 31.030 1.00 0.00 C ATOM 907 C CYS A 56 22.672 19.093 30.656 1.00 0.00 C ATOM 908 O CYS A 56 22.654 17.893 30.918 1.00 0.00 O ATOM 909 CB CYS A 56 20.246 19.722 30.095 1.00 0.00 C ATOM 910 SG CYS A 56 19.353 18.237 30.619 1.00 0.00 S ATOM 0 H CYS A 56 21.732 21.833 30.190 1.00 0.00 H new ATOM 0 HA CYS A 56 21.202 19.587 32.032 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.583 20.587 30.118 1.00 0.00 H new ATOM 0 HB3 CYS A 56 20.590 19.611 29.067 1.00 0.00 H new ATOM 0 HG CYS A 56 18.337 18.041 29.832 1.00 0.00 H new ATOM 916 N GLU A 57 23.769 19.663 30.135 1.00 0.00 N ATOM 917 CA GLU A 57 25.003 18.904 29.834 1.00 0.00 C ATOM 918 C GLU A 57 26.259 19.459 30.518 1.00 0.00 C ATOM 919 O GLU A 57 27.045 18.680 31.064 1.00 0.00 O ATOM 920 CB GLU A 57 25.204 18.802 28.318 1.00 0.00 C ATOM 921 CG GLU A 57 26.258 17.769 27.895 1.00 0.00 C ATOM 922 CD GLU A 57 25.849 16.333 28.242 1.00 0.00 C ATOM 923 OE1 GLU A 57 25.197 15.658 27.407 1.00 0.00 O ATOM 924 OE2 GLU A 57 26.201 15.830 29.335 1.00 0.00 O ATOM 0 H GLU A 57 23.831 20.656 29.910 1.00 0.00 H new ATOM 0 HA GLU A 57 24.860 17.908 30.253 1.00 0.00 H new ATOM 0 HB2 GLU A 57 24.252 18.546 27.852 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.494 19.780 27.934 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.426 17.846 26.821 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.205 18.001 28.383 1.00 0.00 H new ATOM 1095 N ILE A 68 30.032 27.347 36.565 1.00 0.00 N ATOM 1096 CA ILE A 68 30.167 28.738 36.106 1.00 0.00 C ATOM 1097 C ILE A 68 29.829 28.820 34.611 1.00 0.00 C ATOM 1098 O ILE A 68 30.342 28.032 33.814 1.00 0.00 O ATOM 1099 CB ILE A 68 31.571 29.295 36.437 1.00 0.00 C ATOM 1100 CG1 ILE A 68 31.853 29.183 37.958 1.00 0.00 C ATOM 1101 CG2 ILE A 68 31.663 30.752 35.953 1.00 0.00 C ATOM 1102 CD1 ILE A 68 33.222 29.699 38.420 1.00 0.00 C ATOM 0 HA ILE A 68 29.458 29.371 36.639 1.00 0.00 H new ATOM 0 HB ILE A 68 32.331 28.708 35.922 1.00 0.00 H new ATOM 0 HG12 ILE A 68 31.079 29.732 38.494 1.00 0.00 H new ATOM 0 HG13 ILE A 68 31.762 28.137 38.250 1.00 0.00 H new ATOM 0 HG21 ILE A 68 32.651 31.150 36.184 1.00 0.00 H new ATOM 0 HG22 ILE A 68 31.499 30.789 34.876 1.00 0.00 H new ATOM 0 HG23 ILE A 68 30.904 31.351 36.456 1.00 0.00 H new ATOM 0 HD11 ILE A 68 33.313 29.573 39.499 1.00 0.00 H new ATOM 0 HD12 ILE A 68 34.010 29.136 37.921 1.00 0.00 H new ATOM 0 HD13 ILE A 68 33.316 30.755 38.169 1.00 0.00 H new ATOM 1114 N LEU A 69 28.957 29.757 34.224 1.00 0.00 N ATOM 1115 CA LEU A 69 28.460 29.903 32.848 1.00 0.00 C ATOM 1116 C LEU A 69 27.911 31.300 32.539 1.00 0.00 C ATOM 1117 O LEU A 69 27.732 32.122 33.437 1.00 0.00 O ATOM 1118 CB LEU A 69 27.406 28.813 32.548 1.00 0.00 C ATOM 1119 CG LEU A 69 25.982 28.859 33.162 1.00 0.00 C ATOM 1120 CD1 LEU A 69 25.973 29.052 34.669 1.00 0.00 C ATOM 1121 CD2 LEU A 69 25.043 29.897 32.546 1.00 0.00 C ATOM 0 H LEU A 69 28.569 30.447 34.867 1.00 0.00 H new ATOM 0 HA LEU A 69 29.318 29.772 32.188 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.281 28.785 31.466 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.846 27.860 32.843 1.00 0.00 H new ATOM 0 HG LEU A 69 25.602 27.868 32.915 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.944 29.074 35.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.505 28.228 35.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.464 29.993 34.918 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.074 29.851 33.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.468 30.893 32.672 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.917 29.688 31.484 1.00 0.00 H new ATOM 1133 N GLU A 70 27.585 31.553 31.270 1.00 0.00 N ATOM 1134 CA GLU A 70 26.740 32.682 30.870 1.00 0.00 C ATOM 1135 C GLU A 70 25.883 32.359 29.632 1.00 0.00 C ATOM 1136 O GLU A 70 26.398 32.045 28.556 1.00 0.00 O ATOM 1137 CB GLU A 70 27.613 33.925 30.654 1.00 0.00 C ATOM 1138 CG GLU A 70 26.780 35.167 30.345 1.00 0.00 C ATOM 1139 CD GLU A 70 27.699 36.379 30.259 1.00 0.00 C ATOM 1140 OE1 GLU A 70 27.975 36.997 31.313 1.00 0.00 O ATOM 1141 OE2 GLU A 70 28.202 36.682 29.148 1.00 0.00 O ATOM 0 H GLU A 70 27.900 30.979 30.488 1.00 0.00 H new ATOM 0 HA GLU A 70 26.034 32.885 31.675 1.00 0.00 H new ATOM 0 HB2 GLU A 70 28.214 34.105 31.546 1.00 0.00 H new ATOM 0 HB3 GLU A 70 28.307 33.742 29.834 1.00 0.00 H new ATOM 0 HG2 GLU A 70 26.244 35.035 29.405 1.00 0.00 H new ATOM 0 HG3 GLU A 70 26.030 35.319 31.121 1.00 0.00 H new ATOM 1148 N VAL A 71 24.563 32.493 29.787 1.00 0.00 N ATOM 1149 CA VAL A 71 23.563 32.474 28.704 1.00 0.00 C ATOM 1150 C VAL A 71 23.456 33.852 28.039 1.00 0.00 C ATOM 1151 O VAL A 71 23.571 34.881 28.708 1.00 0.00 O ATOM 1152 CB VAL A 71 22.193 31.980 29.235 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.716 32.735 30.487 1.00 0.00 C ATOM 1154 CG2 VAL A 71 21.070 32.059 28.190 1.00 0.00 C ATOM 0 H VAL A 71 24.140 32.623 30.706 1.00 0.00 H new ATOM 0 HA VAL A 71 23.890 31.770 27.939 1.00 0.00 H new ATOM 0 HB VAL A 71 22.384 30.937 29.488 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.752 32.339 30.805 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.443 32.607 31.289 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.614 33.795 30.256 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.139 31.698 28.628 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.943 33.093 27.870 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.329 31.442 27.330 1.00 0.00 H new ATOM 1164 N SER A 72 23.205 33.892 26.729 1.00 0.00 N ATOM 1165 CA SER A 72 22.907 35.122 25.991 1.00 0.00 C ATOM 1166 C SER A 72 22.017 34.871 24.769 1.00 0.00 C ATOM 1167 O SER A 72 22.211 33.905 24.023 1.00 0.00 O ATOM 1168 CB SER A 72 24.213 35.778 25.554 1.00 0.00 C ATOM 1169 OG SER A 72 23.971 37.058 25.015 1.00 0.00 O ATOM 0 H SER A 72 23.203 33.058 26.142 1.00 0.00 H new ATOM 0 HA SER A 72 22.355 35.783 26.660 1.00 0.00 H new ATOM 0 HB2 SER A 72 24.888 35.858 26.406 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.709 35.153 24.812 1.00 0.00 H new ATOM 0 HG SER A 72 24.820 37.464 24.742 1.00 0.00 H new