USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 46 ASN : amide:sc= 0.743 K(o=0.74,f=-6.2!) USER MOD Set 1.2: A 49 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 14 ASN : amide:sc= 0.91 K(o=2,f=-1.2) USER MOD Set 2.2: A 37 ASN : amide:sc= 1.11 K(o=2,f=-0.023) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 68:sc= 0.819 USER MOD Single : A 9 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ 144:sc=-0.00457 (180deg=-1.07) USER MOD Single : A 16 SER OG : rot 154:sc= 0.622 USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0596) USER MOD Single : A 25 SER OG : rot -67:sc= 1.16 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-6.5!) USER MOD Single : A 31 MET CE :methyl 176:sc= 0 (180deg=-0.0248) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 34 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.26) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0332 K(o=-0.033,f=-2.4!) USER MOD Single : A 48 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.071) USER MOD Single : A 56 CYS SG : rot 75:sc= 0.691 USER MOD Single : A 58 SER OG : rot -48:sc= 0.641 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 19.038 41.551 32.583 1.00 0.00 N ATOM 2 CA PRO A 1 20.301 41.910 31.907 1.00 0.00 C ATOM 3 C PRO A 1 20.493 41.267 30.526 1.00 0.00 C ATOM 4 O PRO A 1 19.822 40.292 30.180 1.00 0.00 O ATOM 5 CB PRO A 1 21.429 41.558 32.884 1.00 0.00 C ATOM 6 CG PRO A 1 20.751 41.505 34.261 1.00 0.00 C ATOM 7 CD PRO A 1 19.319 41.943 33.974 1.00 0.00 C ATOM 0 H2 PRO A 1 18.829 40.556 32.501 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.240 42.056 32.197 1.00 0.00 H new ATOM 0 HA PRO A 1 20.294 42.975 31.673 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.887 40.602 32.631 1.00 0.00 H new ATOM 0 HB3 PRO A 1 22.221 42.307 32.861 1.00 0.00 H new ATOM 0 HG2 PRO A 1 20.786 40.502 34.686 1.00 0.00 H new ATOM 0 HG3 PRO A 1 21.238 42.170 34.974 1.00 0.00 H new ATOM 0 HD2 PRO A 1 18.621 41.465 34.661 1.00 0.00 H new ATOM 0 HD3 PRO A 1 19.208 43.019 34.105 1.00 0.00 H new ATOM 17 N LYS A 2 21.444 41.814 29.761 1.00 0.00 N ATOM 18 CA LYS A 2 21.913 41.356 28.444 1.00 0.00 C ATOM 19 C LYS A 2 23.419 41.085 28.529 1.00 0.00 C ATOM 20 O LYS A 2 24.241 42.004 28.476 1.00 0.00 O ATOM 21 CB LYS A 2 21.590 42.421 27.382 1.00 0.00 C ATOM 22 CG LYS A 2 20.079 42.637 27.168 1.00 0.00 C ATOM 23 CD LYS A 2 19.737 44.121 26.969 1.00 0.00 C ATOM 24 CE LYS A 2 19.881 44.924 28.271 1.00 0.00 C ATOM 25 NZ LYS A 2 18.676 44.836 29.127 1.00 0.00 N ATOM 0 H LYS A 2 21.944 42.649 30.066 1.00 0.00 H new ATOM 0 HA LYS A 2 21.407 40.435 28.154 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.046 43.366 27.676 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.045 42.129 26.436 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.750 42.069 26.298 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.531 42.250 28.027 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.391 44.545 26.207 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.716 44.211 26.598 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.745 44.558 28.826 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.076 45.969 28.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.823 45.394 29.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.855 45.209 28.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.503 43.843 29.381 1.00 0.00 H new ATOM 39 N SER A 3 23.774 39.820 28.713 1.00 0.00 N ATOM 40 CA SER A 3 25.099 39.364 29.142 1.00 0.00 C ATOM 41 C SER A 3 25.674 38.415 28.088 1.00 0.00 C ATOM 42 O SER A 3 25.363 37.218 28.080 1.00 0.00 O ATOM 43 CB SER A 3 25.026 38.695 30.535 1.00 0.00 C ATOM 44 OG SER A 3 23.806 38.939 31.218 1.00 0.00 O ATOM 0 H SER A 3 23.124 39.049 28.563 1.00 0.00 H new ATOM 0 HA SER A 3 25.765 40.222 29.236 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.160 37.619 30.420 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.853 39.056 31.146 1.00 0.00 H new ATOM 0 HG SER A 3 23.075 38.477 30.757 1.00 0.00 H new ATOM 50 N ARG A 4 26.492 38.939 27.170 1.00 0.00 N ATOM 51 CA ARG A 4 27.093 38.130 26.104 1.00 0.00 C ATOM 52 C ARG A 4 28.398 37.470 26.545 1.00 0.00 C ATOM 53 O ARG A 4 29.123 37.979 27.403 1.00 0.00 O ATOM 54 CB ARG A 4 27.180 38.895 24.772 1.00 0.00 C ATOM 55 CG ARG A 4 28.304 39.936 24.733 1.00 0.00 C ATOM 56 CD ARG A 4 28.330 40.718 23.417 1.00 0.00 C ATOM 57 NE ARG A 4 27.207 41.668 23.341 1.00 0.00 N ATOM 58 CZ ARG A 4 26.218 41.686 22.475 1.00 0.00 C ATOM 59 NH1 ARG A 4 26.033 40.778 21.565 1.00 0.00 N ATOM 60 NH2 ARG A 4 25.365 42.663 22.501 1.00 0.00 N ATOM 0 H ARG A 4 26.754 39.924 27.144 1.00 0.00 H new ATOM 0 HA ARG A 4 26.417 37.299 25.902 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.329 38.181 23.962 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.228 39.393 24.586 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.180 40.631 25.563 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.263 39.437 24.875 1.00 0.00 H new ATOM 0 HD2 ARG A 4 29.273 41.258 23.330 1.00 0.00 H new ATOM 0 HD3 ARG A 4 28.281 40.024 22.578 1.00 0.00 H new ATOM 0 HE ARG A 4 27.195 42.403 24.048 1.00 0.00 H new ATOM 0 HH11 ARG A 4 26.677 39.990 21.492 1.00 0.00 H new ATOM 0 HH12 ARG A 4 25.244 40.853 20.923 1.00 0.00 H new ATOM 0 HH21 ARG A 4 25.465 43.409 23.189 1.00 0.00 H new ATOM 0 HH22 ARG A 4 24.595 42.685 21.833 1.00 0.00 H new ATOM 74 N LEU A 5 28.685 36.330 25.931 1.00 0.00 N ATOM 75 CA LEU A 5 29.856 35.498 26.178 1.00 0.00 C ATOM 76 C LEU A 5 30.532 35.186 24.848 1.00 0.00 C ATOM 77 O LEU A 5 29.883 34.679 23.933 1.00 0.00 O ATOM 78 CB LEU A 5 29.393 34.233 26.915 1.00 0.00 C ATOM 79 CG LEU A 5 30.438 33.196 27.354 1.00 0.00 C ATOM 80 CD1 LEU A 5 30.977 32.304 26.236 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.606 33.809 28.123 1.00 0.00 C ATOM 0 H LEU A 5 28.077 35.940 25.211 1.00 0.00 H new ATOM 0 HA LEU A 5 30.591 36.006 26.802 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.853 34.552 27.806 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.675 33.723 26.273 1.00 0.00 H new ATOM 0 HG LEU A 5 29.867 32.553 28.024 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.707 31.607 26.647 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.155 31.746 25.788 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.454 32.922 25.475 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.308 33.024 28.404 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.112 34.540 27.493 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.232 34.300 29.021 1.00 0.00 H new ATOM 93 N PHE A 6 31.825 35.475 24.764 1.00 0.00 N ATOM 94 CA PHE A 6 32.684 35.208 23.616 1.00 0.00 C ATOM 95 C PHE A 6 33.598 33.998 23.868 1.00 0.00 C ATOM 96 O PHE A 6 34.211 33.895 24.934 1.00 0.00 O ATOM 97 CB PHE A 6 33.514 36.470 23.340 1.00 0.00 C ATOM 98 CG PHE A 6 34.615 36.265 22.322 1.00 0.00 C ATOM 99 CD1 PHE A 6 34.333 35.670 21.078 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.942 36.592 22.657 1.00 0.00 C ATOM 101 CE1 PHE A 6 35.376 35.372 20.189 1.00 0.00 C ATOM 102 CE2 PHE A 6 36.980 36.304 21.759 1.00 0.00 C ATOM 103 CZ PHE A 6 36.704 35.675 20.533 1.00 0.00 C ATOM 0 H PHE A 6 32.327 35.923 25.531 1.00 0.00 H new ATOM 0 HA PHE A 6 32.070 34.963 22.749 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.851 37.261 22.990 1.00 0.00 H new ATOM 0 HB3 PHE A 6 33.956 36.815 24.275 1.00 0.00 H new ATOM 0 HD1 PHE A 6 33.312 35.443 20.808 1.00 0.00 H new ATOM 0 HD2 PHE A 6 36.161 37.064 23.604 1.00 0.00 H new ATOM 0 HE1 PHE A 6 35.158 34.909 19.238 1.00 0.00 H new ATOM 0 HE2 PHE A 6 37.997 36.567 22.011 1.00 0.00 H new ATOM 0 HZ PHE A 6 37.509 35.426 19.858 1.00 0.00 H new ATOM 113 N ILE A 7 33.742 33.115 22.875 1.00 0.00 N ATOM 114 CA ILE A 7 34.751 32.045 22.872 1.00 0.00 C ATOM 115 C ILE A 7 36.084 32.573 22.321 1.00 0.00 C ATOM 116 O ILE A 7 36.299 32.604 21.113 1.00 0.00 O ATOM 117 CB ILE A 7 34.250 30.815 22.078 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.886 30.276 22.562 1.00 0.00 C ATOM 119 CG2 ILE A 7 35.297 29.686 22.114 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.818 29.898 24.042 1.00 0.00 C ATOM 0 H ILE A 7 33.156 33.121 22.040 1.00 0.00 H new ATOM 0 HA ILE A 7 34.919 31.719 23.898 1.00 0.00 H new ATOM 0 HB ILE A 7 34.105 31.161 21.055 1.00 0.00 H new ATOM 0 HG12 ILE A 7 32.125 31.030 22.362 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.630 29.399 21.968 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.928 28.829 21.551 1.00 0.00 H new ATOM 0 HG22 ILE A 7 36.228 30.039 21.670 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.478 29.390 23.147 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.819 29.532 24.278 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.550 29.118 24.252 1.00 0.00 H new ATOM 0 HD13 ILE A 7 33.037 30.775 24.652 1.00 0.00 H new ATOM 132 N GLY A 8 37.021 32.922 23.203 1.00 0.00 N ATOM 133 CA GLY A 8 38.392 33.303 22.830 1.00 0.00 C ATOM 134 C GLY A 8 39.309 32.125 22.464 1.00 0.00 C ATOM 135 O GLY A 8 40.426 32.326 21.988 1.00 0.00 O ATOM 0 H GLY A 8 36.852 32.950 24.209 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.347 33.987 21.983 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.840 33.851 23.659 1.00 0.00 H new ATOM 139 N ASN A 9 38.855 30.886 22.652 1.00 0.00 N ATOM 140 CA ASN A 9 39.584 29.651 22.342 1.00 0.00 C ATOM 141 C ASN A 9 39.588 29.324 20.826 1.00 0.00 C ATOM 142 O ASN A 9 39.214 28.225 20.419 1.00 0.00 O ATOM 143 CB ASN A 9 38.994 28.542 23.229 1.00 0.00 C ATOM 144 CG ASN A 9 39.715 27.213 23.109 1.00 0.00 C ATOM 145 OD1 ASN A 9 40.900 27.126 22.813 1.00 0.00 O ATOM 146 ND2 ASN A 9 38.994 26.138 23.299 1.00 0.00 N ATOM 0 H ASN A 9 37.930 30.705 23.041 1.00 0.00 H new ATOM 0 HA ASN A 9 40.644 29.760 22.571 1.00 0.00 H new ATOM 0 HB2 ASN A 9 39.023 28.868 24.269 1.00 0.00 H new ATOM 0 HB3 ASN A 9 37.945 28.401 22.968 1.00 0.00 H new ATOM 0 HD21 ASN A 9 39.418 25.216 23.201 1.00 0.00 H new ATOM 0 HD22 ASN A 9 38.008 26.222 23.545 1.00 0.00 H new ATOM 153 N LEU A 10 39.950 30.310 19.996 1.00 0.00 N ATOM 154 CA LEU A 10 40.047 30.251 18.527 1.00 0.00 C ATOM 155 C LEU A 10 38.923 29.416 17.856 1.00 0.00 C ATOM 156 O LEU A 10 39.202 28.362 17.282 1.00 0.00 O ATOM 157 CB LEU A 10 41.467 29.809 18.119 1.00 0.00 C ATOM 158 CG LEU A 10 42.624 30.688 18.635 1.00 0.00 C ATOM 159 CD1 LEU A 10 43.935 30.199 18.025 1.00 0.00 C ATOM 160 CD2 LEU A 10 42.463 32.166 18.269 1.00 0.00 C ATOM 0 H LEU A 10 40.200 31.232 20.353 1.00 0.00 H new ATOM 0 HA LEU A 10 39.879 31.257 18.142 1.00 0.00 H new ATOM 0 HB2 LEU A 10 41.625 28.791 18.474 1.00 0.00 H new ATOM 0 HB3 LEU A 10 41.518 29.779 17.031 1.00 0.00 H new ATOM 0 HG LEU A 10 42.620 30.604 19.722 1.00 0.00 H new ATOM 0 HD11 LEU A 10 44.757 30.817 18.386 1.00 0.00 H new ATOM 0 HD12 LEU A 10 44.106 29.162 18.314 1.00 0.00 H new ATOM 0 HD13 LEU A 10 43.879 30.268 16.939 1.00 0.00 H new ATOM 0 HD21 LEU A 10 43.308 32.732 18.660 1.00 0.00 H new ATOM 0 HD22 LEU A 10 42.427 32.270 17.185 1.00 0.00 H new ATOM 0 HD23 LEU A 10 41.539 32.549 18.701 1.00 0.00 H new ATOM 172 N PRO A 11 37.652 29.858 17.913 1.00 0.00 N ATOM 173 CA PRO A 11 36.468 29.099 17.472 1.00 0.00 C ATOM 174 C PRO A 11 36.306 28.961 15.944 1.00 0.00 C ATOM 175 O PRO A 11 35.239 28.587 15.457 1.00 0.00 O ATOM 176 CB PRO A 11 35.276 29.822 18.114 1.00 0.00 C ATOM 177 CG PRO A 11 35.763 31.268 18.152 1.00 0.00 C ATOM 178 CD PRO A 11 37.228 31.104 18.532 1.00 0.00 C ATOM 0 HA PRO A 11 36.559 28.060 17.788 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.367 29.713 17.523 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.056 29.440 19.111 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.645 31.763 17.188 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.217 31.863 18.884 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.823 31.943 18.172 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.351 31.066 19.614 1.00 0.00 H new ATOM 186 N LEU A 12 37.352 29.227 15.158 1.00 0.00 N ATOM 187 CA LEU A 12 37.334 29.220 13.689 1.00 0.00 C ATOM 188 C LEU A 12 37.471 27.784 13.119 1.00 0.00 C ATOM 189 O LEU A 12 38.090 27.570 12.076 1.00 0.00 O ATOM 190 CB LEU A 12 38.399 30.199 13.147 1.00 0.00 C ATOM 191 CG LEU A 12 38.164 31.704 13.407 1.00 0.00 C ATOM 192 CD1 LEU A 12 38.397 32.142 14.859 1.00 0.00 C ATOM 193 CD2 LEU A 12 39.127 32.515 12.539 1.00 0.00 C ATOM 0 H LEU A 12 38.269 29.462 15.538 1.00 0.00 H new ATOM 0 HA LEU A 12 36.363 29.573 13.343 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.361 29.926 13.580 1.00 0.00 H new ATOM 0 HB3 LEU A 12 38.480 30.050 12.070 1.00 0.00 H new ATOM 0 HG LEU A 12 37.115 31.882 13.171 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.210 33.212 14.951 1.00 0.00 H new ATOM 0 HD12 LEU A 12 37.720 31.597 15.517 1.00 0.00 H new ATOM 0 HD13 LEU A 12 39.428 31.929 15.143 1.00 0.00 H new ATOM 0 HD21 LEU A 12 38.968 33.579 12.716 1.00 0.00 H new ATOM 0 HD22 LEU A 12 40.154 32.254 12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 12 38.946 32.291 11.488 1.00 0.00 H new ATOM 205 N LYS A 13 36.933 26.783 13.835 1.00 0.00 N ATOM 206 CA LYS A 13 37.204 25.340 13.681 1.00 0.00 C ATOM 207 C LYS A 13 35.921 24.512 13.520 1.00 0.00 C ATOM 208 O LYS A 13 35.714 23.543 14.256 1.00 0.00 O ATOM 209 CB LYS A 13 38.054 24.850 14.875 1.00 0.00 C ATOM 210 CG LYS A 13 39.392 25.569 15.084 1.00 0.00 C ATOM 211 CD LYS A 13 40.403 25.548 13.928 1.00 0.00 C ATOM 212 CE LYS A 13 41.049 24.190 13.621 1.00 0.00 C ATOM 213 NZ LYS A 13 40.147 23.281 12.883 1.00 0.00 N ATOM 0 H LYS A 13 36.260 26.967 14.579 1.00 0.00 H new ATOM 0 HA LYS A 13 37.765 25.195 12.758 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.462 24.954 15.784 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.252 23.786 14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 13 39.179 26.611 15.324 1.00 0.00 H new ATOM 0 HG3 LYS A 13 39.874 25.133 15.959 1.00 0.00 H new ATOM 0 HD2 LYS A 13 39.901 25.901 13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 13 41.195 26.262 14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 13 41.956 24.348 13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 13 41.350 23.716 14.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 40.700 22.719 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 39.671 22.644 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 39.435 23.839 12.371 1.00 0.00 H new ATOM 227 N ASN A 14 35.057 24.897 12.581 1.00 0.00 N ATOM 228 CA ASN A 14 33.712 24.339 12.379 1.00 0.00 C ATOM 229 C ASN A 14 32.923 24.151 13.694 1.00 0.00 C ATOM 230 O ASN A 14 32.507 23.042 14.041 1.00 0.00 O ATOM 231 CB ASN A 14 33.779 23.062 11.519 1.00 0.00 C ATOM 232 CG ASN A 14 32.407 22.659 10.997 1.00 0.00 C ATOM 233 OD1 ASN A 14 31.404 23.335 11.188 1.00 0.00 O ATOM 234 ND2 ASN A 14 32.303 21.556 10.302 1.00 0.00 N ATOM 0 H ASN A 14 35.279 25.634 11.912 1.00 0.00 H new ATOM 0 HA ASN A 14 33.133 25.077 11.823 1.00 0.00 H new ATOM 0 HB2 ASN A 14 34.454 23.225 10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 14 34.197 22.247 12.110 1.00 0.00 H new ATOM 0 HD21 ASN A 14 31.397 21.272 9.929 1.00 0.00 H new ATOM 0 HD22 ASN A 14 33.128 20.980 10.133 1.00 0.00 H new ATOM 241 N VAL A 15 32.773 25.235 14.458 1.00 0.00 N ATOM 242 CA VAL A 15 32.103 25.229 15.764 1.00 0.00 C ATOM 243 C VAL A 15 30.605 24.914 15.630 1.00 0.00 C ATOM 244 O VAL A 15 30.013 25.014 14.550 1.00 0.00 O ATOM 245 CB VAL A 15 32.401 26.538 16.526 1.00 0.00 C ATOM 246 CG1 VAL A 15 31.597 27.740 16.015 1.00 0.00 C ATOM 247 CG2 VAL A 15 32.196 26.386 18.039 1.00 0.00 C ATOM 0 H VAL A 15 33.118 26.155 14.185 1.00 0.00 H new ATOM 0 HA VAL A 15 32.510 24.419 16.369 1.00 0.00 H new ATOM 0 HB VAL A 15 33.454 26.740 16.329 1.00 0.00 H new ATOM 0 HG11 VAL A 15 31.857 28.625 16.596 1.00 0.00 H new ATOM 0 HG12 VAL A 15 31.830 27.914 14.965 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.531 27.537 16.121 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.417 27.332 18.533 1.00 0.00 H new ATOM 0 HG22 VAL A 15 31.162 26.105 18.240 1.00 0.00 H new ATOM 0 HG23 VAL A 15 32.863 25.613 18.421 1.00 0.00 H new ATOM 257 N SER A 16 29.980 24.503 16.731 1.00 0.00 N ATOM 258 CA SER A 16 28.572 24.111 16.787 1.00 0.00 C ATOM 259 C SER A 16 27.923 24.456 18.133 1.00 0.00 C ATOM 260 O SER A 16 28.594 24.583 19.160 1.00 0.00 O ATOM 261 CB SER A 16 28.463 22.616 16.500 1.00 0.00 C ATOM 262 OG SER A 16 29.195 21.876 17.460 1.00 0.00 O ATOM 0 H SER A 16 30.451 24.431 17.633 1.00 0.00 H new ATOM 0 HA SER A 16 28.028 24.676 16.030 1.00 0.00 H new ATOM 0 HB2 SER A 16 27.417 22.311 16.517 1.00 0.00 H new ATOM 0 HB3 SER A 16 28.841 22.402 15.500 1.00 0.00 H new ATOM 0 HG SER A 16 28.814 20.977 17.540 1.00 0.00 H new ATOM 268 N LYS A 17 26.598 24.639 18.140 1.00 0.00 N ATOM 269 CA LYS A 17 25.841 25.134 19.304 1.00 0.00 C ATOM 270 C LYS A 17 25.917 24.217 20.524 1.00 0.00 C ATOM 271 O LYS A 17 25.911 24.717 21.644 1.00 0.00 O ATOM 272 CB LYS A 17 24.397 25.452 18.892 1.00 0.00 C ATOM 273 CG LYS A 17 23.579 24.208 18.521 1.00 0.00 C ATOM 274 CD LYS A 17 22.287 24.626 17.814 1.00 0.00 C ATOM 275 CE LYS A 17 21.443 23.411 17.430 1.00 0.00 C ATOM 276 NZ LYS A 17 20.873 22.757 18.625 1.00 0.00 N ATOM 0 H LYS A 17 26.010 24.446 17.329 1.00 0.00 H new ATOM 0 HA LYS A 17 26.319 26.057 19.633 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.900 25.973 19.710 1.00 0.00 H new ATOM 0 HB3 LYS A 17 24.412 26.134 18.042 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.165 23.557 17.872 1.00 0.00 H new ATOM 0 HG3 LYS A 17 23.344 23.636 19.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.709 25.281 18.466 1.00 0.00 H new ATOM 0 HD3 LYS A 17 22.529 25.200 16.920 1.00 0.00 H new ATOM 0 HE2 LYS A 17 20.638 23.720 16.763 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.057 22.698 16.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.212 22.010 18.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.639 22.338 19.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.366 23.462 19.198 1.00 0.00 H new ATOM 290 N GLU A 18 26.078 22.907 20.335 1.00 0.00 N ATOM 291 CA GLU A 18 26.305 21.959 21.434 1.00 0.00 C ATOM 292 C GLU A 18 27.653 22.153 22.158 1.00 0.00 C ATOM 293 O GLU A 18 27.782 21.769 23.323 1.00 0.00 O ATOM 294 CB GLU A 18 26.129 20.508 20.960 1.00 0.00 C ATOM 295 CG GLU A 18 27.112 19.998 19.895 1.00 0.00 C ATOM 296 CD GLU A 18 26.733 20.319 18.445 1.00 0.00 C ATOM 297 OE1 GLU A 18 25.770 21.084 18.190 1.00 0.00 O ATOM 298 OE2 GLU A 18 27.437 19.805 17.538 1.00 0.00 O ATOM 0 H GLU A 18 26.055 22.469 19.414 1.00 0.00 H new ATOM 0 HA GLU A 18 25.539 22.178 22.178 1.00 0.00 H new ATOM 0 HB2 GLU A 18 26.204 19.856 21.830 1.00 0.00 H new ATOM 0 HB3 GLU A 18 25.118 20.400 20.567 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.095 20.423 20.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 27.205 18.917 19.998 1.00 0.00 H new ATOM 305 N ASP A 19 28.644 22.781 21.516 1.00 0.00 N ATOM 306 CA ASP A 19 29.928 23.136 22.135 1.00 0.00 C ATOM 307 C ASP A 19 29.775 24.380 23.030 1.00 0.00 C ATOM 308 O ASP A 19 30.281 24.424 24.149 1.00 0.00 O ATOM 309 CB ASP A 19 30.974 23.336 21.020 1.00 0.00 C ATOM 310 CG ASP A 19 32.412 23.093 21.480 1.00 0.00 C ATOM 311 OD1 ASP A 19 32.667 22.102 22.204 1.00 0.00 O ATOM 312 OD2 ASP A 19 33.338 23.831 21.065 1.00 0.00 O ATOM 0 H ASP A 19 28.577 23.061 20.538 1.00 0.00 H new ATOM 0 HA ASP A 19 30.269 22.331 22.786 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.746 22.662 20.194 1.00 0.00 H new ATOM 0 HB3 ASP A 19 30.892 24.352 20.634 1.00 0.00 H new ATOM 317 N LEU A 20 28.976 25.358 22.590 1.00 0.00 N ATOM 318 CA LEU A 20 28.590 26.531 23.388 1.00 0.00 C ATOM 319 C LEU A 20 27.693 26.129 24.569 1.00 0.00 C ATOM 320 O LEU A 20 27.932 26.553 25.699 1.00 0.00 O ATOM 321 CB LEU A 20 27.899 27.557 22.463 1.00 0.00 C ATOM 322 CG LEU A 20 28.833 28.562 21.758 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.215 29.703 22.702 1.00 0.00 C ATOM 324 CD2 LEU A 20 30.116 27.938 21.208 1.00 0.00 C ATOM 0 H LEU A 20 28.572 25.358 21.654 1.00 0.00 H new ATOM 0 HA LEU A 20 29.480 26.989 23.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.341 27.013 21.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.172 28.117 23.052 1.00 0.00 H new ATOM 0 HG LEU A 20 28.259 28.934 20.909 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.874 30.399 22.183 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.314 30.226 23.023 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.729 29.298 23.573 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.719 28.709 20.728 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.683 27.491 22.025 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.863 27.168 20.479 1.00 0.00 H new ATOM 336 N PHE A 21 26.714 25.255 24.321 1.00 0.00 N ATOM 337 CA PHE A 21 25.798 24.711 25.325 1.00 0.00 C ATOM 338 C PHE A 21 26.543 23.924 26.411 1.00 0.00 C ATOM 339 O PHE A 21 26.270 24.110 27.601 1.00 0.00 O ATOM 340 CB PHE A 21 24.773 23.820 24.602 1.00 0.00 C ATOM 341 CG PHE A 21 23.620 23.307 25.443 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.823 22.266 26.370 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.320 23.815 25.244 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.744 21.766 27.118 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.237 23.290 25.970 1.00 0.00 C ATOM 346 CZ PHE A 21 21.451 22.273 26.914 1.00 0.00 C ATOM 0 H PHE A 21 26.532 24.895 23.384 1.00 0.00 H new ATOM 0 HA PHE A 21 25.292 25.531 25.835 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.362 24.382 23.763 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.300 22.962 24.183 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.811 21.851 26.506 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.156 24.610 24.532 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.910 20.990 27.851 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.240 23.669 25.802 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.621 21.881 27.483 1.00 0.00 H new ATOM 356 N ARG A 22 27.501 23.056 26.039 1.00 0.00 N ATOM 357 CA ARG A 22 28.274 22.276 27.025 1.00 0.00 C ATOM 358 C ARG A 22 29.240 23.146 27.820 1.00 0.00 C ATOM 359 O ARG A 22 29.493 22.832 28.983 1.00 0.00 O ATOM 360 CB ARG A 22 28.950 21.054 26.381 1.00 0.00 C ATOM 361 CG ARG A 22 30.321 21.304 25.727 1.00 0.00 C ATOM 362 CD ARG A 22 31.491 21.088 26.703 1.00 0.00 C ATOM 363 NE ARG A 22 31.839 19.664 26.808 1.00 0.00 N ATOM 364 CZ ARG A 22 32.593 18.980 25.973 1.00 0.00 C ATOM 365 NH1 ARG A 22 33.309 19.541 25.045 1.00 0.00 N ATOM 366 NH2 ARG A 22 32.615 17.688 26.065 1.00 0.00 N ATOM 0 H ARG A 22 27.758 22.877 25.068 1.00 0.00 H new ATOM 0 HA ARG A 22 27.565 21.883 27.754 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.069 20.286 27.145 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.278 20.649 25.624 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.438 20.638 24.872 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.356 22.324 25.344 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.359 21.653 26.365 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.223 21.473 27.687 1.00 0.00 H new ATOM 0 HE ARG A 22 31.459 19.155 27.606 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.303 20.555 24.939 1.00 0.00 H new ATOM 0 HH12 ARG A 22 33.877 18.967 24.422 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.054 17.218 26.775 1.00 0.00 H new ATOM 0 HH22 ARG A 22 33.193 17.141 25.427 1.00 0.00 H new ATOM 380 N ILE A 23 29.737 24.240 27.242 1.00 0.00 N ATOM 381 CA ILE A 23 30.473 25.276 27.971 1.00 0.00 C ATOM 382 C ILE A 23 29.524 25.912 29.000 1.00 0.00 C ATOM 383 O ILE A 23 29.632 25.581 30.185 1.00 0.00 O ATOM 384 CB ILE A 23 31.175 26.240 26.979 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.403 25.510 26.379 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.608 27.573 27.617 1.00 0.00 C ATOM 387 CD1 ILE A 23 33.041 26.215 25.176 1.00 0.00 C ATOM 0 H ILE A 23 29.640 24.435 26.245 1.00 0.00 H new ATOM 0 HA ILE A 23 31.301 24.869 28.552 1.00 0.00 H new ATOM 0 HB ILE A 23 30.454 26.503 26.205 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.157 25.395 27.158 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.101 24.507 26.077 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.092 28.196 26.865 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.732 28.090 28.009 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.307 27.377 28.430 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.892 25.633 24.823 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.306 26.306 24.376 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.379 27.208 25.473 1.00 0.00 H new ATOM 399 N PHE A 24 28.554 26.737 28.583 1.00 0.00 N ATOM 400 CA PHE A 24 27.619 27.427 29.486 1.00 0.00 C ATOM 401 C PHE A 24 26.157 27.062 29.186 1.00 0.00 C ATOM 402 O PHE A 24 25.617 27.397 28.136 1.00 0.00 O ATOM 403 CB PHE A 24 27.786 28.960 29.415 1.00 0.00 C ATOM 404 CG PHE A 24 29.023 29.620 30.012 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.098 28.892 30.559 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.096 31.025 30.000 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.264 29.542 30.983 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.241 31.682 30.487 1.00 0.00 C ATOM 409 CZ PHE A 24 31.340 30.939 30.935 1.00 0.00 C ATOM 0 H PHE A 24 28.394 26.947 27.598 1.00 0.00 H new ATOM 0 HA PHE A 24 27.864 27.089 30.493 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.744 29.242 28.363 1.00 0.00 H new ATOM 0 HB3 PHE A 24 26.916 29.404 29.899 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.022 27.819 30.653 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.269 31.602 29.615 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.103 28.967 31.346 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.272 32.761 30.515 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.244 31.443 31.243 1.00 0.00 H new ATOM 419 N SER A 25 25.493 26.453 30.170 1.00 0.00 N ATOM 420 CA SER A 25 24.025 26.327 30.247 1.00 0.00 C ATOM 421 C SER A 25 23.454 25.971 31.641 1.00 0.00 C ATOM 422 O SER A 25 22.354 26.444 31.927 1.00 0.00 O ATOM 423 CB SER A 25 23.500 25.314 29.218 1.00 0.00 C ATOM 424 OG SER A 25 24.215 24.098 29.263 1.00 0.00 O ATOM 0 H SER A 25 25.969 26.019 30.961 1.00 0.00 H new ATOM 0 HA SER A 25 23.669 27.333 30.023 1.00 0.00 H new ATOM 0 HB2 SER A 25 22.444 25.121 29.405 1.00 0.00 H new ATOM 0 HB3 SER A 25 23.574 25.741 28.218 1.00 0.00 H new ATOM 0 HG SER A 25 25.136 24.248 28.962 1.00 0.00 H new ATOM 430 N PRO A 26 24.126 25.209 32.541 1.00 0.00 N ATOM 431 CA PRO A 26 23.494 24.717 33.776 1.00 0.00 C ATOM 432 C PRO A 26 23.710 25.615 35.010 1.00 0.00 C ATOM 433 O PRO A 26 23.267 25.268 36.104 1.00 0.00 O ATOM 434 CB PRO A 26 24.096 23.327 33.976 1.00 0.00 C ATOM 435 CG PRO A 26 25.538 23.519 33.522 1.00 0.00 C ATOM 436 CD PRO A 26 25.405 24.519 32.372 1.00 0.00 C ATOM 0 HA PRO A 26 22.409 24.709 33.672 1.00 0.00 H new ATOM 0 HB2 PRO A 26 24.038 23.006 35.016 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.581 22.573 33.381 1.00 0.00 H new ATOM 0 HG2 PRO A 26 26.166 23.907 34.324 1.00 0.00 H new ATOM 0 HG3 PRO A 26 25.986 22.582 33.192 1.00 0.00 H new ATOM 0 HD2 PRO A 26 26.230 25.231 32.385 1.00 0.00 H new ATOM 0 HD3 PRO A 26 25.441 24.006 31.411 1.00 0.00 H new ATOM 444 N TYR A 27 24.415 26.735 34.846 1.00 0.00 N ATOM 445 CA TYR A 27 24.703 27.739 35.877 1.00 0.00 C ATOM 446 C TYR A 27 23.494 28.667 36.125 1.00 0.00 C ATOM 447 O TYR A 27 22.476 28.575 35.438 1.00 0.00 O ATOM 448 CB TYR A 27 25.917 28.552 35.406 1.00 0.00 C ATOM 449 CG TYR A 27 27.241 27.815 35.369 1.00 0.00 C ATOM 450 CD1 TYR A 27 28.069 27.806 36.510 1.00 0.00 C ATOM 451 CD2 TYR A 27 27.674 27.189 34.184 1.00 0.00 C ATOM 452 CE1 TYR A 27 29.322 27.167 36.464 1.00 0.00 C ATOM 453 CE2 TYR A 27 28.923 26.539 34.140 1.00 0.00 C ATOM 454 CZ TYR A 27 29.753 26.530 35.283 1.00 0.00 C ATOM 455 OH TYR A 27 30.961 25.914 35.260 1.00 0.00 O ATOM 0 H TYR A 27 24.823 26.981 33.944 1.00 0.00 H new ATOM 0 HA TYR A 27 24.913 27.241 36.824 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.708 28.932 34.406 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.025 29.418 36.060 1.00 0.00 H new ATOM 0 HD1 TYR A 27 27.742 28.289 37.419 1.00 0.00 H new ATOM 0 HD2 TYR A 27 27.046 27.207 33.306 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.956 27.165 37.338 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.246 26.048 33.234 1.00 0.00 H new ATOM 0 HH TYR A 27 31.111 25.522 34.375 1.00 0.00 H new ATOM 465 N GLY A 28 23.620 29.623 37.052 1.00 0.00 N ATOM 466 CA GLY A 28 22.609 30.648 37.363 1.00 0.00 C ATOM 467 C GLY A 28 22.333 31.699 36.270 1.00 0.00 C ATOM 468 O GLY A 28 21.813 32.769 36.588 1.00 0.00 O ATOM 0 H GLY A 28 24.457 29.710 37.628 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.671 30.143 37.594 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.921 31.171 38.267 1.00 0.00 H new ATOM 472 N HIS A 29 22.686 31.439 35.007 1.00 0.00 N ATOM 473 CA HIS A 29 22.454 32.312 33.851 1.00 0.00 C ATOM 474 C HIS A 29 22.069 31.527 32.587 1.00 0.00 C ATOM 475 O HIS A 29 22.621 30.465 32.300 1.00 0.00 O ATOM 476 CB HIS A 29 23.680 33.202 33.592 1.00 0.00 C ATOM 477 CG HIS A 29 24.950 32.476 33.232 1.00 0.00 C ATOM 478 ND1 HIS A 29 25.577 31.487 33.987 1.00 0.00 N ATOM 479 CD2 HIS A 29 25.683 32.688 32.104 1.00 0.00 C ATOM 480 CE1 HIS A 29 26.658 31.118 33.287 1.00 0.00 C ATOM 481 NE2 HIS A 29 26.747 31.817 32.147 1.00 0.00 N ATOM 0 H HIS A 29 23.163 30.575 34.751 1.00 0.00 H new ATOM 0 HA HIS A 29 21.603 32.948 34.096 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.439 33.896 32.786 1.00 0.00 H new ATOM 0 HB3 HIS A 29 23.866 33.801 34.483 1.00 0.00 H new ATOM 0 HD2 HIS A 29 25.470 33.404 31.324 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.362 30.360 33.599 1.00 0.00 H new ATOM 0 HE2 HIS A 29 27.474 31.720 31.438 1.00 0.00 H new ATOM 489 N ILE A 30 21.116 32.070 31.824 1.00 0.00 N ATOM 490 CA ILE A 30 20.580 31.529 30.561 1.00 0.00 C ATOM 491 C ILE A 30 19.819 32.651 29.827 1.00 0.00 C ATOM 492 O ILE A 30 19.336 33.568 30.487 1.00 0.00 O ATOM 493 CB ILE A 30 19.661 30.314 30.861 1.00 0.00 C ATOM 494 CG1 ILE A 30 19.380 29.391 29.658 1.00 0.00 C ATOM 495 CG2 ILE A 30 18.316 30.747 31.458 1.00 0.00 C ATOM 496 CD1 ILE A 30 20.612 28.601 29.208 1.00 0.00 C ATOM 0 H ILE A 30 20.669 32.950 32.082 1.00 0.00 H new ATOM 0 HA ILE A 30 21.389 31.180 29.919 1.00 0.00 H new ATOM 0 HB ILE A 30 20.239 29.737 31.583 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.584 28.694 29.920 1.00 0.00 H new ATOM 0 HG13 ILE A 30 19.016 29.991 28.824 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.704 29.866 31.653 1.00 0.00 H new ATOM 0 HG22 ILE A 30 18.488 31.283 32.391 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.799 31.400 30.755 1.00 0.00 H new ATOM 0 HD11 ILE A 30 20.350 27.970 28.358 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.401 29.293 28.916 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.963 27.976 30.029 1.00 0.00 H new ATOM 508 N MET A 31 19.704 32.613 28.495 1.00 0.00 N ATOM 509 CA MET A 31 18.610 33.274 27.751 1.00 0.00 C ATOM 510 C MET A 31 18.553 32.774 26.305 1.00 0.00 C ATOM 511 O MET A 31 17.519 32.241 25.901 1.00 0.00 O ATOM 512 CB MET A 31 18.682 34.819 27.767 1.00 0.00 C ATOM 513 CG MET A 31 17.469 35.488 27.109 1.00 0.00 C ATOM 514 SD MET A 31 15.837 34.950 27.693 1.00 0.00 S ATOM 515 CE MET A 31 15.962 35.342 29.459 1.00 0.00 C ATOM 0 H MET A 31 20.367 32.123 27.894 1.00 0.00 H new ATOM 0 HA MET A 31 17.696 32.999 28.277 1.00 0.00 H new ATOM 0 HB2 MET A 31 18.762 35.162 28.799 1.00 0.00 H new ATOM 0 HB3 MET A 31 19.588 35.139 27.253 1.00 0.00 H new ATOM 0 HG2 MET A 31 17.548 36.565 27.260 1.00 0.00 H new ATOM 0 HG3 MET A 31 17.523 35.312 26.035 1.00 0.00 H new ATOM 0 HE1 MET A 31 15.009 35.135 29.946 1.00 0.00 H new ATOM 0 HE2 MET A 31 16.742 34.731 29.913 1.00 0.00 H new ATOM 0 HE3 MET A 31 16.210 36.396 29.581 1.00 0.00 H new ATOM 525 N GLN A 32 19.647 32.918 25.545 1.00 0.00 N ATOM 526 CA GLN A 32 19.777 32.386 24.185 1.00 0.00 C ATOM 527 C GLN A 32 21.234 32.152 23.726 1.00 0.00 C ATOM 528 O GLN A 32 22.155 32.896 24.074 1.00 0.00 O ATOM 529 CB GLN A 32 19.018 33.296 23.208 1.00 0.00 C ATOM 530 CG GLN A 32 19.454 34.771 23.211 1.00 0.00 C ATOM 531 CD GLN A 32 18.573 35.661 22.339 1.00 0.00 C ATOM 532 OE1 GLN A 32 17.723 35.212 21.575 1.00 0.00 O ATOM 533 NE2 GLN A 32 18.742 36.959 22.435 1.00 0.00 N ATOM 0 H GLN A 32 20.478 33.415 25.864 1.00 0.00 H new ATOM 0 HA GLN A 32 19.332 31.391 24.192 1.00 0.00 H new ATOM 0 HB2 GLN A 32 19.139 32.900 22.200 1.00 0.00 H new ATOM 0 HB3 GLN A 32 17.955 33.248 23.444 1.00 0.00 H new ATOM 0 HG2 GLN A 32 19.437 35.146 24.234 1.00 0.00 H new ATOM 0 HG3 GLN A 32 20.485 34.839 22.863 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.447 37.336 23.068 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.168 37.591 21.876 1.00 0.00 H new ATOM 542 N ILE A 33 21.451 31.129 22.896 1.00 0.00 N ATOM 543 CA ILE A 33 22.712 30.880 22.174 1.00 0.00 C ATOM 544 C ILE A 33 22.629 31.586 20.809 1.00 0.00 C ATOM 545 O ILE A 33 21.546 31.673 20.223 1.00 0.00 O ATOM 546 CB ILE A 33 23.004 29.359 22.062 1.00 0.00 C ATOM 547 CG1 ILE A 33 23.027 28.700 23.465 1.00 0.00 C ATOM 548 CG2 ILE A 33 24.333 29.101 21.323 1.00 0.00 C ATOM 549 CD1 ILE A 33 23.324 27.195 23.491 1.00 0.00 C ATOM 0 H ILE A 33 20.737 30.428 22.698 1.00 0.00 H new ATOM 0 HA ILE A 33 23.558 31.293 22.724 1.00 0.00 H new ATOM 0 HB ILE A 33 22.200 28.907 21.481 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.775 29.209 24.073 1.00 0.00 H new ATOM 0 HG13 ILE A 33 22.061 28.869 23.941 1.00 0.00 H new ATOM 0 HG21 ILE A 33 24.512 28.028 21.259 1.00 0.00 H new ATOM 0 HG22 ILE A 33 24.278 29.520 20.318 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.150 29.573 21.868 1.00 0.00 H new ATOM 0 HD11 ILE A 33 23.315 26.840 24.522 1.00 0.00 H new ATOM 0 HD12 ILE A 33 22.564 26.664 22.918 1.00 0.00 H new ATOM 0 HD13 ILE A 33 24.304 27.010 23.052 1.00 0.00 H new ATOM 561 N ASN A 34 23.739 32.136 20.307 1.00 0.00 N ATOM 562 CA ASN A 34 23.790 32.750 18.973 1.00 0.00 C ATOM 563 C ASN A 34 25.140 32.461 18.299 1.00 0.00 C ATOM 564 O ASN A 34 26.092 33.232 18.414 1.00 0.00 O ATOM 565 CB ASN A 34 23.412 34.248 19.041 1.00 0.00 C ATOM 566 CG ASN A 34 24.386 35.160 19.773 1.00 0.00 C ATOM 567 OD1 ASN A 34 24.996 36.048 19.197 1.00 0.00 O ATOM 568 ND2 ASN A 34 24.514 35.039 21.072 1.00 0.00 N ATOM 0 H ASN A 34 24.625 32.169 20.810 1.00 0.00 H new ATOM 0 HA ASN A 34 23.038 32.295 18.329 1.00 0.00 H new ATOM 0 HB2 ASN A 34 23.298 34.618 18.022 1.00 0.00 H new ATOM 0 HB3 ASN A 34 22.438 34.333 19.522 1.00 0.00 H new ATOM 0 HD21 ASN A 34 25.116 35.681 21.587 1.00 0.00 H new ATOM 0 HD22 ASN A 34 24.011 34.303 21.568 1.00 0.00 H new ATOM 575 N ILE A 35 25.238 31.316 17.623 1.00 0.00 N ATOM 576 CA ILE A 35 26.488 30.803 17.052 1.00 0.00 C ATOM 577 C ILE A 35 26.597 30.998 15.532 1.00 0.00 C ATOM 578 O ILE A 35 25.605 30.899 14.805 1.00 0.00 O ATOM 579 CB ILE A 35 26.697 29.338 17.496 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.202 29.111 17.685 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.044 28.312 16.554 1.00 0.00 C ATOM 582 CD1 ILE A 35 28.563 27.699 18.115 1.00 0.00 C ATOM 0 H ILE A 35 24.438 30.707 17.453 1.00 0.00 H new ATOM 0 HA ILE A 35 27.308 31.402 17.449 1.00 0.00 H new ATOM 0 HB ILE A 35 26.183 29.175 18.443 1.00 0.00 H new ATOM 0 HG12 ILE A 35 28.714 29.337 16.750 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.575 29.814 18.430 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.231 27.305 16.927 1.00 0.00 H new ATOM 0 HG22 ILE A 35 24.969 28.490 16.511 1.00 0.00 H new ATOM 0 HG23 ILE A 35 26.468 28.413 15.555 1.00 0.00 H new ATOM 0 HD11 ILE A 35 29.644 27.618 18.227 1.00 0.00 H new ATOM 0 HD12 ILE A 35 28.081 27.474 19.067 1.00 0.00 H new ATOM 0 HD13 ILE A 35 28.223 26.990 17.360 1.00 0.00 H new ATOM 594 N LYS A 36 27.823 31.229 15.053 1.00 0.00 N ATOM 595 CA LYS A 36 28.197 31.336 13.638 1.00 0.00 C ATOM 596 C LYS A 36 29.433 30.474 13.371 1.00 0.00 C ATOM 597 O LYS A 36 30.290 30.346 14.244 1.00 0.00 O ATOM 598 CB LYS A 36 28.411 32.829 13.315 1.00 0.00 C ATOM 599 CG LYS A 36 29.012 33.078 11.927 1.00 0.00 C ATOM 600 CD LYS A 36 28.936 34.553 11.521 1.00 0.00 C ATOM 601 CE LYS A 36 29.629 34.695 10.165 1.00 0.00 C ATOM 602 NZ LYS A 36 29.311 35.983 9.518 1.00 0.00 N ATOM 0 H LYS A 36 28.623 31.353 15.673 1.00 0.00 H new ATOM 0 HA LYS A 36 27.413 30.960 12.980 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.455 33.348 13.386 1.00 0.00 H new ATOM 0 HB3 LYS A 36 29.067 33.265 14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.053 32.754 11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 36 28.484 32.472 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.898 34.880 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 36 29.422 35.181 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 36 30.708 34.612 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 29.324 33.876 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 29.799 36.041 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.284 36.052 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 29.625 36.765 10.128 1.00 0.00 H new ATOM 616 N ASN A 37 29.571 29.944 12.155 1.00 0.00 N ATOM 617 CA ASN A 37 30.654 29.046 11.722 1.00 0.00 C ATOM 618 C ASN A 37 32.024 29.744 11.534 1.00 0.00 C ATOM 619 O ASN A 37 32.753 29.474 10.577 1.00 0.00 O ATOM 620 CB ASN A 37 30.187 28.286 10.464 1.00 0.00 C ATOM 621 CG ASN A 37 30.857 26.936 10.337 1.00 0.00 C ATOM 622 OD1 ASN A 37 31.718 26.706 9.498 1.00 0.00 O ATOM 623 ND2 ASN A 37 30.471 26.007 11.173 1.00 0.00 N ATOM 0 H ASN A 37 28.903 30.135 11.408 1.00 0.00 H new ATOM 0 HA ASN A 37 30.847 28.336 12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 37 29.106 28.152 10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 37 30.404 28.883 9.578 1.00 0.00 H new ATOM 0 HD21 ASN A 37 30.889 25.077 11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 37 29.752 26.212 11.867 1.00 0.00 H new ATOM 630 N ALA A 38 32.358 30.675 12.427 1.00 0.00 N ATOM 631 CA ALA A 38 33.609 31.430 12.498 1.00 0.00 C ATOM 632 C ALA A 38 33.887 31.889 13.941 1.00 0.00 C ATOM 633 O ALA A 38 35.005 31.746 14.430 1.00 0.00 O ATOM 634 CB ALA A 38 33.518 32.634 11.549 1.00 0.00 C ATOM 0 H ALA A 38 31.715 30.941 13.173 1.00 0.00 H new ATOM 0 HA ALA A 38 34.437 30.791 12.192 1.00 0.00 H new ATOM 0 HB1 ALA A 38 34.446 33.204 11.594 1.00 0.00 H new ATOM 0 HB2 ALA A 38 33.357 32.283 10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 38 32.686 33.271 11.848 1.00 0.00 H new ATOM 640 N PHE A 39 32.864 32.392 14.645 1.00 0.00 N ATOM 641 CA PHE A 39 32.975 32.852 16.028 1.00 0.00 C ATOM 642 C PHE A 39 31.821 32.334 16.893 1.00 0.00 C ATOM 643 O PHE A 39 30.646 32.488 16.557 1.00 0.00 O ATOM 644 CB PHE A 39 33.083 34.381 16.083 1.00 0.00 C ATOM 645 CG PHE A 39 34.305 34.964 15.393 1.00 0.00 C ATOM 646 CD1 PHE A 39 35.520 35.096 16.092 1.00 0.00 C ATOM 647 CD2 PHE A 39 34.231 35.381 14.051 1.00 0.00 C ATOM 648 CE1 PHE A 39 36.644 35.660 15.464 1.00 0.00 C ATOM 649 CE2 PHE A 39 35.356 35.940 13.419 1.00 0.00 C ATOM 650 CZ PHE A 39 36.562 36.084 14.127 1.00 0.00 C ATOM 0 H PHE A 39 31.924 32.490 14.261 1.00 0.00 H new ATOM 0 HA PHE A 39 33.892 32.436 16.446 1.00 0.00 H new ATOM 0 HB2 PHE A 39 32.189 34.810 15.630 1.00 0.00 H new ATOM 0 HB3 PHE A 39 33.091 34.692 17.128 1.00 0.00 H new ATOM 0 HD1 PHE A 39 35.589 34.762 17.117 1.00 0.00 H new ATOM 0 HD2 PHE A 39 33.306 35.271 13.504 1.00 0.00 H new ATOM 0 HE1 PHE A 39 37.570 35.767 16.009 1.00 0.00 H new ATOM 0 HE2 PHE A 39 35.293 36.259 12.389 1.00 0.00 H new ATOM 0 HZ PHE A 39 37.424 36.520 13.644 1.00 0.00 H new ATOM 660 N GLY A 40 32.168 31.729 18.032 1.00 0.00 N ATOM 661 CA GLY A 40 31.206 31.212 18.999 1.00 0.00 C ATOM 662 C GLY A 40 30.751 32.279 19.995 1.00 0.00 C ATOM 663 O GLY A 40 31.593 32.889 20.656 1.00 0.00 O ATOM 0 H GLY A 40 33.139 31.584 18.309 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.338 30.819 18.470 1.00 0.00 H new ATOM 0 HA3 GLY A 40 31.652 30.379 19.542 1.00 0.00 H new ATOM 667 N PHE A 41 29.432 32.467 20.123 1.00 0.00 N ATOM 668 CA PHE A 41 28.828 33.429 21.048 1.00 0.00 C ATOM 669 C PHE A 41 27.572 32.899 21.765 1.00 0.00 C ATOM 670 O PHE A 41 26.803 32.082 21.253 1.00 0.00 O ATOM 671 CB PHE A 41 28.526 34.751 20.324 1.00 0.00 C ATOM 672 CG PHE A 41 29.725 35.666 20.154 1.00 0.00 C ATOM 673 CD1 PHE A 41 30.035 36.602 21.159 1.00 0.00 C ATOM 674 CD2 PHE A 41 30.496 35.623 18.977 1.00 0.00 C ATOM 675 CE1 PHE A 41 31.094 37.510 20.978 1.00 0.00 C ATOM 676 CE2 PHE A 41 31.568 36.520 18.809 1.00 0.00 C ATOM 677 CZ PHE A 41 31.862 37.466 19.803 1.00 0.00 C ATOM 0 H PHE A 41 28.745 31.946 19.578 1.00 0.00 H new ATOM 0 HA PHE A 41 29.566 33.602 21.832 1.00 0.00 H new ATOM 0 HB2 PHE A 41 28.115 34.526 19.340 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.753 35.285 20.877 1.00 0.00 H new ATOM 0 HD1 PHE A 41 29.458 36.623 22.072 1.00 0.00 H new ATOM 0 HD2 PHE A 41 30.266 34.904 18.205 1.00 0.00 H new ATOM 0 HE1 PHE A 41 31.316 38.240 21.742 1.00 0.00 H new ATOM 0 HE2 PHE A 41 32.167 36.480 17.911 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.678 38.160 19.665 1.00 0.00 H new ATOM 687 N ILE A 42 27.361 33.423 22.972 1.00 0.00 N ATOM 688 CA ILE A 42 26.182 33.236 23.829 1.00 0.00 C ATOM 689 C ILE A 42 25.652 34.613 24.257 1.00 0.00 C ATOM 690 O ILE A 42 26.418 35.572 24.315 1.00 0.00 O ATOM 691 CB ILE A 42 26.548 32.284 25.002 1.00 0.00 C ATOM 692 CG1 ILE A 42 25.963 30.891 24.705 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.091 32.767 26.393 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.518 29.761 25.582 1.00 0.00 C ATOM 0 H ILE A 42 28.053 34.031 23.410 1.00 0.00 H new ATOM 0 HA ILE A 42 25.364 32.750 23.297 1.00 0.00 H new ATOM 0 HB ILE A 42 27.636 32.259 25.056 1.00 0.00 H new ATOM 0 HG12 ILE A 42 24.881 30.932 24.831 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.153 30.648 23.660 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.390 32.039 27.147 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.553 33.729 26.614 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.006 32.874 26.403 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.048 28.818 25.301 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.596 29.686 25.440 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.304 29.975 26.629 1.00 0.00 H new ATOM 706 N GLN A 43 24.354 34.723 24.544 1.00 0.00 N ATOM 707 CA GLN A 43 23.687 35.951 24.990 1.00 0.00 C ATOM 708 C GLN A 43 22.668 35.586 26.082 1.00 0.00 C ATOM 709 O GLN A 43 21.530 35.225 25.789 1.00 0.00 O ATOM 710 CB GLN A 43 23.081 36.641 23.748 1.00 0.00 C ATOM 711 CG GLN A 43 22.176 37.850 24.025 1.00 0.00 C ATOM 712 CD GLN A 43 22.854 38.912 24.880 1.00 0.00 C ATOM 713 OE1 GLN A 43 22.848 38.830 26.100 1.00 0.00 O ATOM 714 NE2 GLN A 43 23.450 39.922 24.290 1.00 0.00 N ATOM 0 H GLN A 43 23.714 33.932 24.470 1.00 0.00 H new ATOM 0 HA GLN A 43 24.372 36.667 25.444 1.00 0.00 H new ATOM 0 HB2 GLN A 43 23.897 36.964 23.102 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.506 35.902 23.190 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.870 38.294 23.077 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.269 37.512 24.526 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.454 39.988 23.272 1.00 0.00 H new ATOM 0 HE22 GLN A 43 23.909 40.641 24.849 1.00 0.00 H new ATOM 723 N PHE A 44 23.099 35.600 27.345 1.00 0.00 N ATOM 724 CA PHE A 44 22.344 35.103 28.506 1.00 0.00 C ATOM 725 C PHE A 44 21.910 36.238 29.454 1.00 0.00 C ATOM 726 O PHE A 44 22.382 37.375 29.376 1.00 0.00 O ATOM 727 CB PHE A 44 23.152 34.003 29.226 1.00 0.00 C ATOM 728 CG PHE A 44 23.246 32.621 28.574 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.638 32.304 27.340 1.00 0.00 C ATOM 730 CD2 PHE A 44 23.937 31.599 29.252 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.754 31.014 26.789 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.065 30.315 28.699 1.00 0.00 C ATOM 733 CZ PHE A 44 23.487 30.023 27.457 1.00 0.00 C ATOM 0 H PHE A 44 24.015 35.970 27.601 1.00 0.00 H new ATOM 0 HA PHE A 44 21.416 34.659 28.146 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.167 34.374 29.364 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.722 33.872 30.219 1.00 0.00 H new ATOM 0 HD1 PHE A 44 22.077 33.061 26.812 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.377 31.807 30.216 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.276 30.787 25.847 1.00 0.00 H new ATOM 0 HE2 PHE A 44 24.610 29.551 29.232 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.605 29.043 27.018 1.00 0.00 H new ATOM 743 N ASP A 45 20.968 35.956 30.348 1.00 0.00 N ATOM 744 CA ASP A 45 20.537 36.855 31.421 1.00 0.00 C ATOM 745 C ASP A 45 21.139 36.401 32.763 1.00 0.00 C ATOM 746 O ASP A 45 21.313 35.198 32.974 1.00 0.00 O ATOM 747 CB ASP A 45 19.003 36.908 31.428 1.00 0.00 C ATOM 748 CG ASP A 45 18.434 38.117 32.163 1.00 0.00 C ATOM 749 OD1 ASP A 45 19.147 38.799 32.930 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.244 38.431 31.939 1.00 0.00 O ATOM 0 H ASP A 45 20.466 35.068 30.349 1.00 0.00 H new ATOM 0 HA ASP A 45 20.901 37.869 31.254 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.644 36.918 30.399 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.619 35.999 31.891 1.00 0.00 H new ATOM 755 N ASN A 46 21.411 37.359 33.654 1.00 0.00 N ATOM 756 CA ASN A 46 22.372 37.343 34.768 1.00 0.00 C ATOM 757 C ASN A 46 23.863 37.359 34.331 1.00 0.00 C ATOM 758 O ASN A 46 24.397 36.320 33.938 1.00 0.00 O ATOM 759 CB ASN A 46 22.044 36.221 35.773 1.00 0.00 C ATOM 760 CG ASN A 46 22.995 36.190 36.954 1.00 0.00 C ATOM 761 OD1 ASN A 46 23.775 37.097 37.205 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.989 35.114 37.692 1.00 0.00 N ATOM 0 H ASN A 46 20.919 38.251 33.612 1.00 0.00 H new ATOM 0 HA ASN A 46 22.246 38.293 35.288 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.025 36.353 36.137 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.078 35.260 35.260 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.635 35.031 38.477 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.339 34.356 37.484 1.00 0.00 H new ATOM 769 N PRO A 47 24.584 38.496 34.464 1.00 0.00 N ATOM 770 CA PRO A 47 26.008 38.595 34.129 1.00 0.00 C ATOM 771 C PRO A 47 26.930 37.992 35.200 1.00 0.00 C ATOM 772 O PRO A 47 28.021 37.517 34.878 1.00 0.00 O ATOM 773 CB PRO A 47 26.267 40.097 33.967 1.00 0.00 C ATOM 774 CG PRO A 47 25.296 40.726 34.964 1.00 0.00 C ATOM 775 CD PRO A 47 24.088 39.794 34.903 1.00 0.00 C ATOM 0 HA PRO A 47 26.230 38.023 33.228 1.00 0.00 H new ATOM 0 HB2 PRO A 47 27.301 40.354 34.195 1.00 0.00 H new ATOM 0 HB3 PRO A 47 26.072 40.432 32.948 1.00 0.00 H new ATOM 0 HG2 PRO A 47 25.720 40.771 35.967 1.00 0.00 H new ATOM 0 HG3 PRO A 47 25.033 41.746 34.683 1.00 0.00 H new ATOM 0 HD2 PRO A 47 23.610 39.716 35.879 1.00 0.00 H new ATOM 0 HD3 PRO A 47 23.338 40.177 34.210 1.00 0.00 H new ATOM 783 N GLN A 48 26.505 37.956 36.467 1.00 0.00 N ATOM 784 CA GLN A 48 27.341 37.506 37.585 1.00 0.00 C ATOM 785 C GLN A 48 27.699 36.024 37.472 1.00 0.00 C ATOM 786 O GLN A 48 28.820 35.629 37.806 1.00 0.00 O ATOM 787 CB GLN A 48 26.618 37.768 38.913 1.00 0.00 C ATOM 788 CG GLN A 48 26.442 39.263 39.216 1.00 0.00 C ATOM 789 CD GLN A 48 27.777 39.952 39.469 1.00 0.00 C ATOM 790 OE1 GLN A 48 28.258 40.752 38.675 1.00 0.00 O ATOM 791 NE2 GLN A 48 28.440 39.631 40.555 1.00 0.00 N ATOM 0 H GLN A 48 25.566 38.240 36.747 1.00 0.00 H new ATOM 0 HA GLN A 48 28.271 38.073 37.551 1.00 0.00 H new ATOM 0 HB2 GLN A 48 25.639 37.290 38.887 1.00 0.00 H new ATOM 0 HB3 GLN A 48 27.179 37.302 39.724 1.00 0.00 H new ATOM 0 HG2 GLN A 48 25.937 39.746 38.380 1.00 0.00 H new ATOM 0 HG3 GLN A 48 25.800 39.384 40.089 1.00 0.00 H new ATOM 0 HE21 GLN A 48 28.042 38.965 41.218 1.00 0.00 H new ATOM 0 HE22 GLN A 48 29.353 40.047 40.737 1.00 0.00 H new ATOM 800 N SER A 49 26.781 35.208 36.948 1.00 0.00 N ATOM 801 CA SER A 49 27.054 33.798 36.661 1.00 0.00 C ATOM 802 C SER A 49 27.769 33.572 35.326 1.00 0.00 C ATOM 803 O SER A 49 28.484 32.580 35.221 1.00 0.00 O ATOM 804 CB SER A 49 25.797 32.946 36.817 1.00 0.00 C ATOM 805 OG SER A 49 25.390 32.998 38.168 1.00 0.00 O ATOM 0 H SER A 49 25.834 35.504 36.712 1.00 0.00 H new ATOM 0 HA SER A 49 27.766 33.461 37.414 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.004 33.317 36.167 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.997 31.916 36.520 1.00 0.00 H new ATOM 0 HG SER A 49 24.803 32.238 38.362 1.00 0.00 H new ATOM 811 N VAL A 50 27.734 34.517 34.368 1.00 0.00 N ATOM 812 CA VAL A 50 28.685 34.504 33.233 1.00 0.00 C ATOM 813 C VAL A 50 30.109 34.599 33.777 1.00 0.00 C ATOM 814 O VAL A 50 30.943 33.755 33.458 1.00 0.00 O ATOM 815 CB VAL A 50 28.476 35.638 32.200 1.00 0.00 C ATOM 816 CG1 VAL A 50 29.354 35.431 30.958 1.00 0.00 C ATOM 817 CG2 VAL A 50 27.053 35.764 31.661 1.00 0.00 C ATOM 0 H VAL A 50 27.069 35.290 34.353 1.00 0.00 H new ATOM 0 HA VAL A 50 28.504 33.569 32.703 1.00 0.00 H new ATOM 0 HB VAL A 50 28.733 36.534 32.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 29.184 36.244 30.252 1.00 0.00 H new ATOM 0 HG12 VAL A 50 30.404 35.420 31.252 1.00 0.00 H new ATOM 0 HG13 VAL A 50 29.099 34.482 30.486 1.00 0.00 H new ATOM 0 HG21 VAL A 50 27.006 36.585 30.945 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.767 34.835 31.167 1.00 0.00 H new ATOM 0 HG23 VAL A 50 26.368 35.962 32.485 1.00 0.00 H new ATOM 827 N ARG A 51 30.389 35.586 34.639 1.00 0.00 N ATOM 828 CA ARG A 51 31.742 35.791 35.177 1.00 0.00 C ATOM 829 C ARG A 51 32.167 34.709 36.181 1.00 0.00 C ATOM 830 O ARG A 51 33.355 34.394 36.220 1.00 0.00 O ATOM 831 CB ARG A 51 31.881 37.234 35.697 1.00 0.00 C ATOM 832 CG ARG A 51 33.289 37.589 36.208 1.00 0.00 C ATOM 833 CD ARG A 51 34.438 37.346 35.210 1.00 0.00 C ATOM 834 NE ARG A 51 35.764 37.500 35.843 1.00 0.00 N ATOM 835 CZ ARG A 51 36.349 36.668 36.689 1.00 0.00 C ATOM 836 NH1 ARG A 51 35.778 35.576 37.099 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.540 36.903 37.154 1.00 0.00 N ATOM 0 H ARG A 51 29.698 36.255 34.979 1.00 0.00 H new ATOM 0 HA ARG A 51 32.460 35.670 34.366 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.613 37.924 34.897 1.00 0.00 H new ATOM 0 HB3 ARG A 51 31.165 37.388 36.504 1.00 0.00 H new ATOM 0 HG2 ARG A 51 33.298 38.640 36.496 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.486 37.010 37.110 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.350 36.343 34.793 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.350 38.045 34.379 1.00 0.00 H new ATOM 0 HE ARG A 51 36.287 38.342 35.601 1.00 0.00 H new ATOM 0 HH11 ARG A 51 34.844 35.333 36.768 1.00 0.00 H new ATOM 0 HH12 ARG A 51 36.263 34.961 37.752 1.00 0.00 H new ATOM 0 HH21 ARG A 51 38.043 37.743 36.867 1.00 0.00 H new ATOM 0 HH22 ARG A 51 37.972 36.247 37.805 1.00 0.00 H new ATOM 851 N ASP A 52 31.238 34.077 36.903 1.00 0.00 N ATOM 852 CA ASP A 52 31.514 32.860 37.691 1.00 0.00 C ATOM 853 C ASP A 52 31.855 31.666 36.792 1.00 0.00 C ATOM 854 O ASP A 52 32.861 30.992 36.995 1.00 0.00 O ATOM 855 CB ASP A 52 30.305 32.508 38.567 1.00 0.00 C ATOM 856 CG ASP A 52 30.541 31.347 39.543 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.686 31.077 39.962 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.553 30.680 39.928 1.00 0.00 O ATOM 0 H ASP A 52 30.269 34.391 36.962 1.00 0.00 H new ATOM 0 HA ASP A 52 32.378 33.071 38.321 1.00 0.00 H new ATOM 0 HB2 ASP A 52 30.016 33.391 39.136 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.465 32.257 37.920 1.00 0.00 H new ATOM 863 N ALA A 53 31.061 31.416 35.751 1.00 0.00 N ATOM 864 CA ALA A 53 31.306 30.308 34.841 1.00 0.00 C ATOM 865 C ALA A 53 32.594 30.503 34.013 1.00 0.00 C ATOM 866 O ALA A 53 33.242 29.517 33.665 1.00 0.00 O ATOM 867 CB ALA A 53 30.050 30.086 34.005 1.00 0.00 C ATOM 0 H ALA A 53 30.238 31.973 35.520 1.00 0.00 H new ATOM 0 HA ALA A 53 31.500 29.396 35.405 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.214 29.258 33.315 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.213 29.851 34.662 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.825 30.990 33.439 1.00 0.00 H new ATOM 873 N ILE A 54 33.038 31.747 33.779 1.00 0.00 N ATOM 874 CA ILE A 54 34.380 32.039 33.242 1.00 0.00 C ATOM 875 C ILE A 54 35.456 31.498 34.186 1.00 0.00 C ATOM 876 O ILE A 54 36.273 30.700 33.751 1.00 0.00 O ATOM 877 CB ILE A 54 34.562 33.543 32.921 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.742 33.881 31.657 1.00 0.00 C ATOM 879 CG2 ILE A 54 36.035 33.941 32.694 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.697 35.366 31.307 1.00 0.00 C ATOM 0 H ILE A 54 32.478 32.581 33.956 1.00 0.00 H new ATOM 0 HA ILE A 54 34.490 31.522 32.289 1.00 0.00 H new ATOM 0 HB ILE A 54 34.213 34.107 33.786 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.160 33.334 30.812 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.722 33.523 31.795 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.094 35.007 32.473 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.613 33.724 33.592 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.440 33.374 31.856 1.00 0.00 H new ATOM 0 HD11 ILE A 54 33.100 35.510 30.406 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.249 35.921 32.131 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.710 35.730 31.133 1.00 0.00 H new ATOM 892 N GLU A 55 35.449 31.828 35.476 1.00 0.00 N ATOM 893 CA GLU A 55 36.456 31.274 36.401 1.00 0.00 C ATOM 894 C GLU A 55 36.259 29.774 36.699 1.00 0.00 C ATOM 895 O GLU A 55 37.214 29.102 37.088 1.00 0.00 O ATOM 896 CB GLU A 55 36.593 32.142 37.662 1.00 0.00 C ATOM 897 CG GLU A 55 35.277 32.353 38.418 1.00 0.00 C ATOM 898 CD GLU A 55 35.365 33.366 39.559 1.00 0.00 C ATOM 899 OE1 GLU A 55 36.222 34.280 39.530 1.00 0.00 O ATOM 900 OE2 GLU A 55 34.530 33.272 40.490 1.00 0.00 O ATOM 0 H GLU A 55 34.775 32.462 35.905 1.00 0.00 H new ATOM 0 HA GLU A 55 37.416 31.317 35.886 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.316 31.678 38.333 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.998 33.114 37.380 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.515 32.683 37.712 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.945 31.396 38.821 1.00 0.00 H new ATOM 907 N CYS A 56 35.074 29.208 36.449 1.00 0.00 N ATOM 908 CA CYS A 56 34.849 27.759 36.523 1.00 0.00 C ATOM 909 C CYS A 56 35.374 26.995 35.290 1.00 0.00 C ATOM 910 O CYS A 56 35.874 25.877 35.434 1.00 0.00 O ATOM 911 CB CYS A 56 33.358 27.466 36.737 1.00 0.00 C ATOM 912 SG CYS A 56 32.764 28.177 38.299 1.00 0.00 S ATOM 0 H CYS A 56 34.243 29.740 36.190 1.00 0.00 H new ATOM 0 HA CYS A 56 35.423 27.398 37.376 1.00 0.00 H new ATOM 0 HB2 CYS A 56 32.782 27.874 35.907 1.00 0.00 H new ATOM 0 HB3 CYS A 56 33.194 26.388 36.739 1.00 0.00 H new ATOM 0 HG CYS A 56 32.636 29.464 38.169 1.00 0.00 H new ATOM 918 N GLU A 57 35.273 27.558 34.083 1.00 0.00 N ATOM 919 CA GLU A 57 35.519 26.855 32.810 1.00 0.00 C ATOM 920 C GLU A 57 36.734 27.407 32.039 1.00 0.00 C ATOM 921 O GLU A 57 37.575 26.634 31.592 1.00 0.00 O ATOM 922 CB GLU A 57 34.224 26.920 31.976 1.00 0.00 C ATOM 923 CG GLU A 57 34.171 25.996 30.749 1.00 0.00 C ATOM 924 CD GLU A 57 33.914 24.514 31.070 1.00 0.00 C ATOM 925 OE1 GLU A 57 34.098 24.084 32.237 1.00 0.00 O ATOM 926 OE2 GLU A 57 33.479 23.761 30.166 1.00 0.00 O ATOM 0 H GLU A 57 35.013 28.536 33.955 1.00 0.00 H new ATOM 0 HA GLU A 57 35.777 25.817 33.021 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.383 26.678 32.626 1.00 0.00 H new ATOM 0 HB3 GLU A 57 34.082 27.947 31.640 1.00 0.00 H new ATOM 0 HG2 GLU A 57 33.387 26.349 30.079 1.00 0.00 H new ATOM 0 HG3 GLU A 57 35.114 26.078 30.208 1.00 0.00 H new ATOM 933 N SER A 58 36.911 28.731 31.967 1.00 0.00 N ATOM 934 CA SER A 58 38.038 29.439 31.318 1.00 0.00 C ATOM 935 C SER A 58 39.368 29.341 32.087 1.00 0.00 C ATOM 936 O SER A 58 40.239 30.204 31.962 1.00 0.00 O ATOM 937 CB SER A 58 37.681 30.914 31.093 1.00 0.00 C ATOM 938 OG SER A 58 38.532 31.509 30.139 1.00 0.00 O ATOM 0 H SER A 58 36.240 29.379 32.380 1.00 0.00 H new ATOM 0 HA SER A 58 38.194 28.934 30.365 1.00 0.00 H new ATOM 0 HB2 SER A 58 36.646 30.993 30.759 1.00 0.00 H new ATOM 0 HB3 SER A 58 37.754 31.456 32.036 1.00 0.00 H new ATOM 0 HG SER A 58 39.464 31.299 30.356 1.00 0.00 H new ATOM 944 N GLN A 59 39.518 28.310 32.916 1.00 0.00 N ATOM 945 CA GLN A 59 40.726 27.966 33.673 1.00 0.00 C ATOM 946 C GLN A 59 41.007 26.451 33.626 1.00 0.00 C ATOM 947 O GLN A 59 41.877 25.958 34.343 1.00 0.00 O ATOM 948 CB GLN A 59 40.609 28.486 35.118 1.00 0.00 C ATOM 949 CG GLN A 59 40.377 30.003 35.186 1.00 0.00 C ATOM 950 CD GLN A 59 40.317 30.572 36.594 1.00 0.00 C ATOM 951 OE1 GLN A 59 40.549 29.906 37.599 1.00 0.00 O ATOM 952 NE2 GLN A 59 39.986 31.834 36.715 1.00 0.00 N ATOM 0 H GLN A 59 38.757 27.653 33.089 1.00 0.00 H new ATOM 0 HA GLN A 59 41.581 28.455 33.206 1.00 0.00 H new ATOM 0 HB2 GLN A 59 39.787 27.974 35.618 1.00 0.00 H new ATOM 0 HB3 GLN A 59 41.519 28.237 35.664 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.176 30.504 34.640 1.00 0.00 H new ATOM 0 HG3 GLN A 59 39.444 30.238 34.673 1.00 0.00 H new ATOM 0 HE21 GLN A 59 39.792 32.392 35.884 1.00 0.00 H new ATOM 0 HE22 GLN A 59 39.922 32.258 37.640 1.00 0.00 H new ATOM 1097 N ILE A 68 39.341 29.510 26.870 1.00 0.00 N ATOM 1098 CA ILE A 68 39.435 30.976 26.940 1.00 0.00 C ATOM 1099 C ILE A 68 38.061 31.546 26.598 1.00 0.00 C ATOM 1100 O ILE A 68 37.562 31.334 25.492 1.00 0.00 O ATOM 1101 CB ILE A 68 40.517 31.536 25.983 1.00 0.00 C ATOM 1102 CG1 ILE A 68 41.920 30.946 26.222 1.00 0.00 C ATOM 1103 CG2 ILE A 68 40.578 33.076 26.048 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.558 31.326 27.560 1.00 0.00 C ATOM 0 HA ILE A 68 39.735 31.272 27.945 1.00 0.00 H new ATOM 0 HB ILE A 68 40.209 31.225 24.985 1.00 0.00 H new ATOM 0 HG12 ILE A 68 41.857 29.860 26.162 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.578 31.272 25.416 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.347 33.439 25.366 1.00 0.00 H new ATOM 0 HG22 ILE A 68 39.612 33.491 25.760 1.00 0.00 H new ATOM 0 HG23 ILE A 68 40.819 33.388 27.064 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.542 30.865 27.638 1.00 0.00 H new ATOM 0 HD12 ILE A 68 42.659 32.410 27.620 1.00 0.00 H new ATOM 0 HD13 ILE A 68 41.927 30.975 28.377 1.00 0.00 H new ATOM 1116 N LEU A 69 37.456 32.251 27.550 1.00 0.00 N ATOM 1117 CA LEU A 69 36.096 32.788 27.489 1.00 0.00 C ATOM 1118 C LEU A 69 36.090 34.245 27.983 1.00 0.00 C ATOM 1119 O LEU A 69 36.817 34.568 28.928 1.00 0.00 O ATOM 1120 CB LEU A 69 35.166 31.928 28.373 1.00 0.00 C ATOM 1121 CG LEU A 69 35.234 30.396 28.200 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.363 29.710 29.253 1.00 0.00 C ATOM 1123 CD2 LEU A 69 34.718 29.940 26.841 1.00 0.00 C ATOM 0 H LEU A 69 37.922 32.475 28.429 1.00 0.00 H new ATOM 0 HA LEU A 69 35.740 32.762 26.459 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.385 32.159 29.416 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.139 32.242 28.186 1.00 0.00 H new ATOM 0 HG LEU A 69 36.285 30.126 28.301 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.418 28.629 29.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.720 29.974 30.249 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.329 30.037 29.140 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.788 28.854 26.771 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.678 30.245 26.726 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.319 30.394 26.053 1.00 0.00 H new ATOM 1135 N GLU A 70 35.267 35.122 27.403 1.00 0.00 N ATOM 1136 CA GLU A 70 35.133 36.519 27.856 1.00 0.00 C ATOM 1137 C GLU A 70 33.680 36.987 27.989 1.00 0.00 C ATOM 1138 O GLU A 70 32.849 36.704 27.130 1.00 0.00 O ATOM 1139 CB GLU A 70 35.948 37.465 26.952 1.00 0.00 C ATOM 1140 CG GLU A 70 35.903 38.948 27.370 1.00 0.00 C ATOM 1141 CD GLU A 70 36.593 39.214 28.716 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.175 38.640 29.752 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.601 39.959 28.744 1.00 0.00 O ATOM 0 H GLU A 70 34.673 34.889 26.607 1.00 0.00 H new ATOM 0 HA GLU A 70 35.544 36.554 28.865 1.00 0.00 H new ATOM 0 HB2 GLU A 70 36.987 37.134 26.945 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.579 37.378 25.930 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.380 39.552 26.598 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.864 39.271 27.431 1.00 0.00 H new ATOM 1150 N VAL A 71 33.395 37.738 29.057 1.00 0.00 N ATOM 1151 CA VAL A 71 32.096 38.375 29.315 1.00 0.00 C ATOM 1152 C VAL A 71 32.076 39.794 28.753 1.00 0.00 C ATOM 1153 O VAL A 71 33.052 40.541 28.871 1.00 0.00 O ATOM 1154 CB VAL A 71 31.725 38.342 30.815 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.774 38.989 31.731 1.00 0.00 C ATOM 1156 CG2 VAL A 71 30.363 38.987 31.102 1.00 0.00 C ATOM 0 H VAL A 71 34.080 37.926 29.789 1.00 0.00 H new ATOM 0 HA VAL A 71 31.330 37.798 28.797 1.00 0.00 H new ATOM 0 HB VAL A 71 31.681 37.278 31.046 1.00 0.00 H new ATOM 0 HG11 VAL A 71 32.441 38.926 32.767 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.724 38.466 31.623 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.903 40.035 31.454 1.00 0.00 H new ATOM 0 HG21 VAL A 71 30.154 38.936 32.171 1.00 0.00 H new ATOM 0 HG22 VAL A 71 30.380 40.030 30.785 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.586 38.454 30.554 1.00 0.00 H new ATOM 1166 N SER A 72 30.943 40.188 28.179 1.00 0.00 N ATOM 1167 CA SER A 72 30.653 41.575 27.827 1.00 0.00 C ATOM 1168 C SER A 72 29.188 41.894 28.131 1.00 0.00 C ATOM 1169 O SER A 72 28.312 41.035 28.005 1.00 0.00 O ATOM 1170 CB SER A 72 31.029 41.816 26.362 1.00 0.00 C ATOM 1171 OG SER A 72 31.139 43.195 26.076 1.00 0.00 O ATOM 0 H SER A 72 30.189 39.543 27.942 1.00 0.00 H new ATOM 0 HA SER A 72 31.252 42.257 28.430 1.00 0.00 H new ATOM 0 HB2 SER A 72 31.975 41.321 26.142 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.276 41.368 25.714 1.00 0.00 H new ATOM 0 HG SER A 72 31.382 43.315 25.134 1.00 0.00 H new ATOM 1177 N SER A 73 28.909 43.112 28.584 1.00 0.00 N ATOM 1178 CA SER A 73 27.585 43.515 29.058 1.00 0.00 C ATOM 1179 C SER A 73 27.323 44.998 28.808 1.00 0.00 C ATOM 1180 O SER A 73 28.209 45.844 28.943 1.00 0.00 O ATOM 1181 CB SER A 73 27.436 43.171 30.545 1.00 0.00 C ATOM 1182 OG SER A 73 28.475 43.755 31.314 1.00 0.00 O ATOM 0 H SER A 73 29.603 43.858 28.634 1.00 0.00 H new ATOM 0 HA SER A 73 26.837 42.960 28.491 1.00 0.00 H new ATOM 0 HB2 SER A 73 26.470 43.523 30.907 1.00 0.00 H new ATOM 0 HB3 SER A 73 27.449 42.089 30.674 1.00 0.00 H new ATOM 0 HG SER A 73 28.354 43.521 32.258 1.00 0.00 H new