USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 9 ASN : amide:sc= 0.771 K(o=1.3,f=-1) USER MOD Set 1.2: A 58 SER OG : rot -140:sc= 0.804 USER MOD Set 1.3: A 61 MET CE :methyl 175:sc= -0.259 (180deg=-0.0721) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.193 K(o=-0.62,f=-1.9) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.428 X(o=-0.62,f=-0.5) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 120:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.12) USER MOD Single : A 16 SER OG : rot 180:sc= -0.144 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.893 (180deg=0.88) USER MOD Single : A 25 SER OG : rot 50:sc= 1.23 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -171:sc= -0.0167 (180deg=-0.148) USER MOD Single : A 32 GLN : amide:sc= -0.266 K(o=-0.27,f=-0.86) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.39) 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=-0.34) USER MOD Single : A 49 SER OG : rot -117:sc= 1.93 USER MOD Single : A 56 CYS SG : rot -30:sc= 0.0168 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 62 ASN : amide:sc= -0.343 K(o=-0.34,f=-2.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -150:sc= 0.381 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc=0.000522 USER MOD Single : A 75 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.858 32.507 14.990 1.00 0.00 N ATOM 2 CA PRO A 1 18.378 33.785 15.532 1.00 0.00 C ATOM 3 C PRO A 1 19.830 33.627 15.994 1.00 0.00 C ATOM 4 O PRO A 1 20.311 32.501 16.073 1.00 0.00 O ATOM 5 CB PRO A 1 17.440 34.213 16.675 1.00 0.00 C ATOM 6 CG PRO A 1 16.500 33.024 16.884 1.00 0.00 C ATOM 7 CD PRO A 1 16.497 32.352 15.516 1.00 0.00 C ATOM 0 H2 PRO A 1 18.448 31.725 15.275 1.00 0.00 H new ATOM 0 H3 PRO A 1 17.853 32.521 13.970 1.00 0.00 H new ATOM 0 HA PRO A 1 18.392 34.561 14.766 1.00 0.00 H new ATOM 0 HB2 PRO A 1 18.001 34.437 17.583 1.00 0.00 H new ATOM 0 HB3 PRO A 1 16.885 35.114 16.413 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.863 32.354 17.663 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.501 33.345 17.179 1.00 0.00 H new ATOM 0 HD2 PRO A 1 16.227 31.299 15.598 1.00 0.00 H new ATOM 0 HD3 PRO A 1 15.767 32.817 14.854 1.00 0.00 H new ATOM 15 N LYS A 2 20.527 34.717 16.338 1.00 0.00 N ATOM 16 CA LYS A 2 21.877 34.662 16.931 1.00 0.00 C ATOM 17 C LYS A 2 21.855 34.669 18.464 1.00 0.00 C ATOM 18 O LYS A 2 21.030 35.346 19.083 1.00 0.00 O ATOM 19 CB LYS A 2 22.788 35.742 16.328 1.00 0.00 C ATOM 20 CG LYS A 2 22.405 37.181 16.724 1.00 0.00 C ATOM 21 CD LYS A 2 23.320 38.229 16.082 1.00 0.00 C ATOM 22 CE LYS A 2 23.235 38.237 14.550 1.00 0.00 C ATOM 23 NZ LYS A 2 24.337 39.028 13.966 1.00 0.00 N ATOM 0 H LYS A 2 20.174 35.666 16.214 1.00 0.00 H new ATOM 0 HA LYS A 2 22.312 33.699 16.665 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.815 35.552 16.640 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.764 35.657 15.242 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.374 37.374 16.428 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.449 37.280 17.809 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.055 39.216 16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.350 38.038 16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.277 37.215 14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.277 38.653 14.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.259 39.019 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.281 40.008 14.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 25.249 38.614 14.248 1.00 0.00 H new ATOM 37 N SER A 3 22.769 33.913 19.061 1.00 0.00 N ATOM 38 CA SER A 3 22.881 33.643 20.501 1.00 0.00 C ATOM 39 C SER A 3 24.329 33.311 20.887 1.00 0.00 C ATOM 40 O SER A 3 25.151 33.023 20.012 1.00 0.00 O ATOM 41 CB SER A 3 21.990 32.438 20.843 1.00 0.00 C ATOM 42 OG SER A 3 21.349 32.655 22.076 1.00 0.00 O ATOM 0 H SER A 3 23.498 33.441 18.526 1.00 0.00 H new ATOM 0 HA SER A 3 22.568 34.531 21.051 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.248 32.288 20.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.592 31.531 20.890 1.00 0.00 H new ATOM 0 HG SER A 3 20.378 32.643 21.946 1.00 0.00 H new ATOM 48 N ARG A 4 24.650 33.288 22.184 1.00 0.00 N ATOM 49 CA ARG A 4 25.975 32.932 22.726 1.00 0.00 C ATOM 50 C ARG A 4 25.851 32.055 23.975 1.00 0.00 C ATOM 51 O ARG A 4 25.153 32.399 24.928 1.00 0.00 O ATOM 52 CB ARG A 4 26.770 34.229 22.980 1.00 0.00 C ATOM 53 CG ARG A 4 27.939 34.122 23.984 1.00 0.00 C ATOM 54 CD ARG A 4 28.406 35.528 24.368 1.00 0.00 C ATOM 55 NE ARG A 4 29.603 35.527 25.222 1.00 0.00 N ATOM 56 CZ ARG A 4 29.649 35.575 26.539 1.00 0.00 C ATOM 57 NH1 ARG A 4 28.596 35.476 27.302 1.00 0.00 N ATOM 58 NH2 ARG A 4 30.791 35.748 27.120 1.00 0.00 N ATOM 0 H ARG A 4 23.977 33.523 22.913 1.00 0.00 H new ATOM 0 HA ARG A 4 26.523 32.330 22.001 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.166 34.581 22.028 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.078 34.991 23.338 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.622 33.576 24.873 1.00 0.00 H new ATOM 0 HG3 ARG A 4 28.762 33.561 23.543 1.00 0.00 H new ATOM 0 HD2 ARG A 4 28.615 36.095 23.461 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.598 36.043 24.887 1.00 0.00 H new ATOM 0 HE ARG A 4 30.501 35.484 24.740 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.673 35.354 26.885 1.00 0.00 H new ATOM 0 HH12 ARG A 4 28.695 35.520 28.316 1.00 0.00 H new ATOM 0 HH21 ARG A 4 31.638 35.845 26.561 1.00 0.00 H new ATOM 0 HH22 ARG A 4 30.845 35.788 28.138 1.00 0.00 H new ATOM 72 N LEU A 5 26.608 30.962 23.967 1.00 0.00 N ATOM 73 CA LEU A 5 26.811 29.993 25.040 1.00 0.00 C ATOM 74 C LEU A 5 28.249 30.115 25.564 1.00 0.00 C ATOM 75 O LEU A 5 29.188 30.174 24.772 1.00 0.00 O ATOM 76 CB LEU A 5 26.507 28.604 24.439 1.00 0.00 C ATOM 77 CG LEU A 5 26.628 27.423 25.419 1.00 0.00 C ATOM 78 CD1 LEU A 5 25.648 26.317 25.035 1.00 0.00 C ATOM 79 CD2 LEU A 5 28.016 26.791 25.383 1.00 0.00 C ATOM 0 H LEU A 5 27.143 30.709 23.136 1.00 0.00 H new ATOM 0 HA LEU A 5 26.156 30.164 25.894 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.496 28.616 24.033 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.185 28.432 23.603 1.00 0.00 H new ATOM 0 HG LEU A 5 26.422 27.827 26.410 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.743 25.487 25.735 1.00 0.00 H new ATOM 0 HD12 LEU A 5 24.630 26.705 25.068 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.870 25.968 24.027 1.00 0.00 H new ATOM 0 HD21 LEU A 5 28.057 25.962 26.090 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.222 26.422 24.378 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.763 27.537 25.655 1.00 0.00 H new ATOM 91 N PHE A 6 28.443 30.122 26.883 1.00 0.00 N ATOM 92 CA PHE A 6 29.754 30.311 27.519 1.00 0.00 C ATOM 93 C PHE A 6 29.996 29.255 28.606 1.00 0.00 C ATOM 94 O PHE A 6 29.122 29.005 29.444 1.00 0.00 O ATOM 95 CB PHE A 6 29.795 31.750 28.048 1.00 0.00 C ATOM 96 CG PHE A 6 30.945 32.123 28.969 1.00 0.00 C ATOM 97 CD1 PHE A 6 30.912 31.775 30.335 1.00 0.00 C ATOM 98 CD2 PHE A 6 32.011 32.898 28.479 1.00 0.00 C ATOM 99 CE1 PHE A 6 31.925 32.215 31.207 1.00 0.00 C ATOM 100 CE2 PHE A 6 33.019 33.346 29.350 1.00 0.00 C ATOM 101 CZ PHE A 6 32.970 33.016 30.714 1.00 0.00 C ATOM 0 H PHE A 6 27.684 29.995 27.553 1.00 0.00 H new ATOM 0 HA PHE A 6 30.567 30.171 26.806 1.00 0.00 H new ATOM 0 HB2 PHE A 6 29.817 32.424 27.191 1.00 0.00 H new ATOM 0 HB3 PHE A 6 28.862 31.941 28.579 1.00 0.00 H new ATOM 0 HD1 PHE A 6 30.104 31.167 30.714 1.00 0.00 H new ATOM 0 HD2 PHE A 6 32.055 33.150 27.430 1.00 0.00 H new ATOM 0 HE1 PHE A 6 31.900 31.939 32.251 1.00 0.00 H new ATOM 0 HE2 PHE A 6 33.833 33.945 28.969 1.00 0.00 H new ATOM 0 HZ PHE A 6 33.735 33.378 31.385 1.00 0.00 H new ATOM 111 N ILE A 7 31.183 28.637 28.595 1.00 0.00 N ATOM 112 CA ILE A 7 31.546 27.530 29.488 1.00 0.00 C ATOM 113 C ILE A 7 32.584 27.995 30.515 1.00 0.00 C ATOM 114 O ILE A 7 33.742 28.237 30.185 1.00 0.00 O ATOM 115 CB ILE A 7 32.050 26.296 28.698 1.00 0.00 C ATOM 116 CG1 ILE A 7 31.080 25.824 27.585 1.00 0.00 C ATOM 117 CG2 ILE A 7 32.278 25.128 29.674 1.00 0.00 C ATOM 118 CD1 ILE A 7 31.374 26.442 26.211 1.00 0.00 C ATOM 0 H ILE A 7 31.932 28.897 27.953 1.00 0.00 H new ATOM 0 HA ILE A 7 30.647 27.219 30.021 1.00 0.00 H new ATOM 0 HB ILE A 7 32.974 26.603 28.208 1.00 0.00 H new ATOM 0 HG12 ILE A 7 31.133 24.738 27.505 1.00 0.00 H new ATOM 0 HG13 ILE A 7 30.059 26.072 27.875 1.00 0.00 H new ATOM 0 HG21 ILE A 7 32.633 24.257 29.123 1.00 0.00 H new ATOM 0 HG22 ILE A 7 33.022 25.415 30.417 1.00 0.00 H new ATOM 0 HG23 ILE A 7 31.341 24.884 30.174 1.00 0.00 H new ATOM 0 HD11 ILE A 7 30.656 26.066 25.482 1.00 0.00 H new ATOM 0 HD12 ILE A 7 31.292 27.527 26.275 1.00 0.00 H new ATOM 0 HD13 ILE A 7 32.383 26.172 25.899 1.00 0.00 H new ATOM 130 N GLY A 8 32.188 28.052 31.787 1.00 0.00 N ATOM 131 CA GLY A 8 33.088 28.324 32.908 1.00 0.00 C ATOM 132 C GLY A 8 33.704 27.081 33.556 1.00 0.00 C ATOM 133 O GLY A 8 34.502 27.219 34.480 1.00 0.00 O ATOM 0 H GLY A 8 31.219 27.908 32.071 1.00 0.00 H new ATOM 0 HA2 GLY A 8 33.893 28.971 32.560 1.00 0.00 H new ATOM 0 HA3 GLY A 8 32.539 28.879 33.669 1.00 0.00 H new ATOM 137 N ASN A 9 33.392 25.876 33.063 1.00 0.00 N ATOM 138 CA ASN A 9 33.929 24.585 33.531 1.00 0.00 C ATOM 139 C ASN A 9 35.455 24.403 33.310 1.00 0.00 C ATOM 140 O ASN A 9 35.972 23.309 33.518 1.00 0.00 O ATOM 141 CB ASN A 9 33.184 23.428 32.826 1.00 0.00 C ATOM 142 CG ASN A 9 31.666 23.410 32.895 1.00 0.00 C ATOM 143 OD1 ASN A 9 31.007 24.146 33.618 1.00 0.00 O ATOM 144 ND2 ASN A 9 31.064 22.542 32.119 1.00 0.00 N ATOM 0 H ASN A 9 32.731 25.766 32.294 1.00 0.00 H new ATOM 0 HA ASN A 9 33.768 24.573 34.609 1.00 0.00 H new ATOM 0 HB2 ASN A 9 33.470 23.438 31.774 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.549 22.491 33.247 1.00 0.00 H new ATOM 0 HD21 ASN A 9 30.046 22.480 32.117 1.00 0.00 H new ATOM 0 HD22 ASN A 9 31.614 21.929 31.517 1.00 0.00 H new ATOM 151 N LEU A 10 36.169 25.433 32.846 1.00 0.00 N ATOM 152 CA LEU A 10 37.578 25.410 32.424 1.00 0.00 C ATOM 153 C LEU A 10 37.929 24.297 31.403 1.00 0.00 C ATOM 154 O LEU A 10 38.844 23.503 31.653 1.00 0.00 O ATOM 155 CB LEU A 10 38.514 25.428 33.655 1.00 0.00 C ATOM 156 CG LEU A 10 38.208 26.485 34.732 1.00 0.00 C ATOM 157 CD1 LEU A 10 39.239 26.363 35.853 1.00 0.00 C ATOM 158 CD2 LEU A 10 38.238 27.915 34.187 1.00 0.00 C ATOM 0 H LEU A 10 35.757 26.361 32.748 1.00 0.00 H new ATOM 0 HA LEU A 10 37.746 26.328 31.860 1.00 0.00 H new ATOM 0 HB2 LEU A 10 38.482 24.444 34.123 1.00 0.00 H new ATOM 0 HB3 LEU A 10 39.535 25.582 33.306 1.00 0.00 H new ATOM 0 HG LEU A 10 37.198 26.295 35.096 1.00 0.00 H new ATOM 0 HD11 LEU A 10 39.031 27.108 36.621 1.00 0.00 H new ATOM 0 HD12 LEU A 10 39.185 25.366 36.290 1.00 0.00 H new ATOM 0 HD13 LEU A 10 40.238 26.528 35.448 1.00 0.00 H new ATOM 0 HD21 LEU A 10 38.015 28.616 34.992 1.00 0.00 H new ATOM 0 HD22 LEU A 10 39.227 28.130 33.783 1.00 0.00 H new ATOM 0 HD23 LEU A 10 37.493 28.019 33.398 1.00 0.00 H new ATOM 170 N PRO A 11 37.237 24.199 30.247 1.00 0.00 N ATOM 171 CA PRO A 11 37.715 23.391 29.128 1.00 0.00 C ATOM 172 C PRO A 11 39.078 23.908 28.637 1.00 0.00 C ATOM 173 O PRO A 11 39.188 25.029 28.142 1.00 0.00 O ATOM 174 CB PRO A 11 36.629 23.491 28.049 1.00 0.00 C ATOM 175 CG PRO A 11 35.964 24.838 28.334 1.00 0.00 C ATOM 176 CD PRO A 11 36.033 24.923 29.858 1.00 0.00 C ATOM 0 HA PRO A 11 37.878 22.350 29.408 1.00 0.00 H new ATOM 0 HB2 PRO A 11 37.055 23.458 27.046 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.917 22.669 28.119 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.495 25.662 27.857 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.936 24.868 27.972 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.078 25.960 30.189 1.00 0.00 H new ATOM 0 HD3 PRO A 11 35.147 24.481 30.314 1.00 0.00 H new ATOM 184 N LEU A 12 40.125 23.090 28.768 1.00 0.00 N ATOM 185 CA LEU A 12 41.525 23.434 28.461 1.00 0.00 C ATOM 186 C LEU A 12 42.281 22.338 27.696 1.00 0.00 C ATOM 187 O LEU A 12 43.407 22.575 27.242 1.00 0.00 O ATOM 188 CB LEU A 12 42.254 23.776 29.773 1.00 0.00 C ATOM 189 CG LEU A 12 42.044 25.227 30.231 1.00 0.00 C ATOM 190 CD1 LEU A 12 42.611 25.388 31.634 1.00 0.00 C ATOM 191 CD2 LEU A 12 42.765 26.224 29.312 1.00 0.00 C ATOM 0 H LEU A 12 40.022 22.132 29.103 1.00 0.00 H new ATOM 0 HA LEU A 12 41.506 24.295 27.793 1.00 0.00 H new ATOM 0 HB2 LEU A 12 41.909 23.102 30.557 1.00 0.00 H new ATOM 0 HB3 LEU A 12 43.321 23.595 29.644 1.00 0.00 H new ATOM 0 HG LEU A 12 40.974 25.434 30.203 1.00 0.00 H new ATOM 0 HD11 LEU A 12 42.467 26.415 31.969 1.00 0.00 H new ATOM 0 HD12 LEU A 12 42.097 24.709 32.314 1.00 0.00 H new ATOM 0 HD13 LEU A 12 43.676 25.155 31.625 1.00 0.00 H new ATOM 0 HD21 LEU A 12 42.592 27.239 29.670 1.00 0.00 H new ATOM 0 HD22 LEU A 12 43.835 26.015 29.317 1.00 0.00 H new ATOM 0 HD23 LEU A 12 42.381 26.127 28.297 1.00 0.00 H new ATOM 203 N LYS A 13 41.677 21.160 27.529 1.00 0.00 N ATOM 204 CA LYS A 13 42.169 20.087 26.661 1.00 0.00 C ATOM 205 C LYS A 13 41.642 20.250 25.234 1.00 0.00 C ATOM 206 O LYS A 13 40.701 21.011 24.987 1.00 0.00 O ATOM 207 CB LYS A 13 41.812 18.719 27.272 1.00 0.00 C ATOM 208 CG LYS A 13 42.293 18.523 28.725 1.00 0.00 C ATOM 209 CD LYS A 13 43.766 18.863 28.987 1.00 0.00 C ATOM 210 CE LYS A 13 44.703 18.082 28.065 1.00 0.00 C ATOM 211 NZ LYS A 13 46.093 18.558 28.206 1.00 0.00 N ATOM 0 H LYS A 13 40.809 20.919 28.006 1.00 0.00 H new ATOM 0 HA LYS A 13 43.255 20.146 26.594 1.00 0.00 H new ATOM 0 HB2 LYS A 13 40.730 18.592 27.241 1.00 0.00 H new ATOM 0 HB3 LYS A 13 42.243 17.934 26.651 1.00 0.00 H new ATOM 0 HG2 LYS A 13 41.675 19.138 29.379 1.00 0.00 H new ATOM 0 HG3 LYS A 13 42.122 17.484 29.008 1.00 0.00 H new ATOM 0 HD2 LYS A 13 43.923 19.932 28.844 1.00 0.00 H new ATOM 0 HD3 LYS A 13 44.011 18.641 30.026 1.00 0.00 H new ATOM 0 HE2 LYS A 13 44.652 17.019 28.302 1.00 0.00 H new ATOM 0 HE3 LYS A 13 44.379 18.193 27.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 46.712 18.014 27.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 46.142 19.567 27.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 46.406 18.429 29.189 1.00 0.00 H new ATOM 225 N ASN A 14 42.257 19.543 24.292 1.00 0.00 N ATOM 226 CA ASN A 14 41.915 19.592 22.875 1.00 0.00 C ATOM 227 C ASN A 14 40.449 19.186 22.612 1.00 0.00 C ATOM 228 O ASN A 14 40.005 18.116 23.037 1.00 0.00 O ATOM 229 CB ASN A 14 42.924 18.723 22.098 1.00 0.00 C ATOM 230 CG ASN A 14 42.873 17.255 22.478 1.00 0.00 C ATOM 231 OD1 ASN A 14 43.546 16.785 23.383 1.00 0.00 O ATOM 232 ND2 ASN A 14 42.096 16.453 21.801 1.00 0.00 N ATOM 0 H ASN A 14 43.026 18.905 24.498 1.00 0.00 H new ATOM 0 HA ASN A 14 41.988 20.620 22.520 1.00 0.00 H new ATOM 0 HB2 ASN A 14 42.730 18.821 21.030 1.00 0.00 H new ATOM 0 HB3 ASN A 14 43.931 19.102 22.275 1.00 0.00 H new ATOM 0 HD21 ASN A 14 42.062 15.460 22.033 1.00 0.00 H new ATOM 0 HD22 ASN A 14 41.524 16.819 21.040 1.00 0.00 H new ATOM 239 N VAL A 15 39.717 20.022 21.875 1.00 0.00 N ATOM 240 CA VAL A 15 38.353 19.782 21.363 1.00 0.00 C ATOM 241 C VAL A 15 38.154 20.546 20.049 1.00 0.00 C ATOM 242 O VAL A 15 38.759 21.600 19.845 1.00 0.00 O ATOM 243 CB VAL A 15 37.254 20.210 22.367 1.00 0.00 C ATOM 244 CG1 VAL A 15 37.126 19.244 23.549 1.00 0.00 C ATOM 245 CG2 VAL A 15 37.446 21.627 22.922 1.00 0.00 C ATOM 0 H VAL A 15 40.073 20.937 21.600 1.00 0.00 H new ATOM 0 HA VAL A 15 38.256 18.708 21.205 1.00 0.00 H new ATOM 0 HB VAL A 15 36.339 20.189 21.776 1.00 0.00 H new ATOM 0 HG11 VAL A 15 36.341 19.593 24.221 1.00 0.00 H new ATOM 0 HG12 VAL A 15 36.873 18.250 23.181 1.00 0.00 H new ATOM 0 HG13 VAL A 15 38.072 19.201 24.088 1.00 0.00 H new ATOM 0 HG21 VAL A 15 36.639 21.858 23.618 1.00 0.00 H new ATOM 0 HG22 VAL A 15 38.402 21.688 23.442 1.00 0.00 H new ATOM 0 HG23 VAL A 15 37.433 22.344 22.101 1.00 0.00 H new ATOM 255 N SER A 16 37.296 20.053 19.154 1.00 0.00 N ATOM 256 CA SER A 16 36.965 20.734 17.893 1.00 0.00 C ATOM 257 C SER A 16 35.488 21.126 17.807 1.00 0.00 C ATOM 258 O SER A 16 34.649 20.678 18.590 1.00 0.00 O ATOM 259 CB SER A 16 37.393 19.861 16.710 1.00 0.00 C ATOM 260 OG SER A 16 37.255 20.584 15.504 1.00 0.00 O ATOM 0 H SER A 16 36.807 19.167 19.280 1.00 0.00 H new ATOM 0 HA SER A 16 37.520 21.671 17.859 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.428 19.543 16.837 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.784 18.958 16.674 1.00 0.00 H new ATOM 0 HG SER A 16 37.532 20.021 14.751 1.00 0.00 H new ATOM 266 N LYS A 17 35.153 21.944 16.805 1.00 0.00 N ATOM 267 CA LYS A 17 33.786 22.344 16.454 1.00 0.00 C ATOM 268 C LYS A 17 32.827 21.173 16.225 1.00 0.00 C ATOM 269 O LYS A 17 31.639 21.323 16.490 1.00 0.00 O ATOM 270 CB LYS A 17 33.831 23.287 15.243 1.00 0.00 C ATOM 271 CG LYS A 17 34.490 22.677 14.003 1.00 0.00 C ATOM 272 CD LYS A 17 34.588 23.707 12.875 1.00 0.00 C ATOM 273 CE LYS A 17 35.499 23.204 11.755 1.00 0.00 C ATOM 274 NZ LYS A 17 35.022 21.934 11.165 1.00 0.00 N ATOM 0 H LYS A 17 35.853 22.362 16.192 1.00 0.00 H new ATOM 0 HA LYS A 17 33.373 22.867 17.317 1.00 0.00 H new ATOM 0 HB2 LYS A 17 32.814 23.587 14.991 1.00 0.00 H new ATOM 0 HB3 LYS A 17 34.371 24.192 15.520 1.00 0.00 H new ATOM 0 HG2 LYS A 17 35.486 22.314 14.257 1.00 0.00 H new ATOM 0 HG3 LYS A 17 33.913 21.816 13.666 1.00 0.00 H new ATOM 0 HD2 LYS A 17 33.594 23.912 12.477 1.00 0.00 H new ATOM 0 HD3 LYS A 17 34.974 24.648 13.268 1.00 0.00 H new ATOM 0 HE2 LYS A 17 35.563 23.962 10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 17 36.507 23.064 12.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 35.664 21.644 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 35.002 21.197 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 34.064 22.067 10.782 1.00 0.00 H new ATOM 288 N GLU A 18 33.312 20.015 15.778 1.00 0.00 N ATOM 289 CA GLU A 18 32.495 18.798 15.654 1.00 0.00 C ATOM 290 C GLU A 18 32.204 18.114 17.011 1.00 0.00 C ATOM 291 O GLU A 18 31.134 17.528 17.167 1.00 0.00 O ATOM 292 CB GLU A 18 33.152 17.817 14.666 1.00 0.00 C ATOM 293 CG GLU A 18 32.752 18.043 13.196 1.00 0.00 C ATOM 294 CD GLU A 18 33.337 19.302 12.550 1.00 0.00 C ATOM 295 OE1 GLU A 18 34.562 19.552 12.675 1.00 0.00 O ATOM 296 OE2 GLU A 18 32.590 20.015 11.831 1.00 0.00 O ATOM 0 H GLU A 18 34.282 19.889 15.490 1.00 0.00 H new ATOM 0 HA GLU A 18 31.525 19.106 15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.235 17.901 14.754 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.887 16.799 14.951 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.064 17.176 12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.665 18.094 13.135 1.00 0.00 H new ATOM 303 N ASP A 19 33.084 18.230 18.016 1.00 0.00 N ATOM 304 CA ASP A 19 32.872 17.650 19.354 1.00 0.00 C ATOM 305 C ASP A 19 31.702 18.330 20.067 1.00 0.00 C ATOM 306 O ASP A 19 30.690 17.706 20.385 1.00 0.00 O ATOM 307 CB ASP A 19 34.128 17.801 20.234 1.00 0.00 C ATOM 308 CG ASP A 19 35.279 16.934 19.762 1.00 0.00 C ATOM 309 OD1 ASP A 19 35.982 17.317 18.798 1.00 0.00 O ATOM 310 OD2 ASP A 19 35.437 15.828 20.326 1.00 0.00 O ATOM 0 H ASP A 19 33.968 18.731 17.925 1.00 0.00 H new ATOM 0 HA ASP A 19 32.653 16.592 19.208 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.442 18.845 20.237 1.00 0.00 H new ATOM 0 HB3 ASP A 19 33.880 17.540 21.263 1.00 0.00 H new ATOM 315 N LEU A 20 31.828 19.644 20.258 1.00 0.00 N ATOM 316 CA LEU A 20 30.800 20.477 20.877 1.00 0.00 C ATOM 317 C LEU A 20 29.482 20.439 20.090 1.00 0.00 C ATOM 318 O LEU A 20 28.409 20.474 20.691 1.00 0.00 O ATOM 319 CB LEU A 20 31.357 21.895 21.075 1.00 0.00 C ATOM 320 CG LEU A 20 31.797 22.603 19.777 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.693 23.450 19.139 1.00 0.00 C ATOM 322 CD2 LEU A 20 32.997 23.494 20.071 1.00 0.00 C ATOM 0 H LEU A 20 32.660 20.166 19.982 1.00 0.00 H new ATOM 0 HA LEU A 20 30.547 20.078 21.859 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.597 22.504 21.565 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.210 21.844 21.752 1.00 0.00 H new ATOM 0 HG LEU A 20 32.050 21.818 19.064 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.073 23.918 18.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.843 22.814 18.891 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.376 24.222 19.840 1.00 0.00 H new ATOM 0 HD21 LEU A 20 33.311 23.996 19.156 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.723 24.239 20.818 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.818 22.885 20.450 1.00 0.00 H new ATOM 334 N PHE A 21 29.539 20.305 18.761 1.00 0.00 N ATOM 335 CA PHE A 21 28.331 20.183 17.955 1.00 0.00 C ATOM 336 C PHE A 21 27.649 18.829 18.151 1.00 0.00 C ATOM 337 O PHE A 21 26.436 18.819 18.361 1.00 0.00 O ATOM 338 CB PHE A 21 28.630 20.472 16.484 1.00 0.00 C ATOM 339 CG PHE A 21 27.440 20.389 15.541 1.00 0.00 C ATOM 340 CD1 PHE A 21 26.186 20.921 15.903 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.600 19.805 14.270 1.00 0.00 C ATOM 342 CE1 PHE A 21 25.110 20.883 15.001 1.00 0.00 C ATOM 343 CE2 PHE A 21 26.525 19.770 13.366 1.00 0.00 C ATOM 344 CZ PHE A 21 25.281 20.313 13.732 1.00 0.00 C ATOM 0 H PHE A 21 30.408 20.279 18.227 1.00 0.00 H new ATOM 0 HA PHE A 21 27.621 20.935 18.300 1.00 0.00 H new ATOM 0 HB2 PHE A 21 29.061 21.471 16.409 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.391 19.770 16.142 1.00 0.00 H new ATOM 0 HD1 PHE A 21 26.052 21.361 16.880 1.00 0.00 H new ATOM 0 HD2 PHE A 21 28.553 19.382 13.989 1.00 0.00 H new ATOM 0 HE1 PHE A 21 24.152 21.293 15.285 1.00 0.00 H new ATOM 0 HE2 PHE A 21 26.654 19.326 12.390 1.00 0.00 H new ATOM 0 HZ PHE A 21 24.456 20.291 13.035 1.00 0.00 H new ATOM 354 N ARG A 22 28.362 17.692 18.167 1.00 0.00 N ATOM 355 CA ARG A 22 27.699 16.393 18.394 1.00 0.00 C ATOM 356 C ARG A 22 27.128 16.283 19.807 1.00 0.00 C ATOM 357 O ARG A 22 25.997 15.819 19.963 1.00 0.00 O ATOM 358 CB ARG A 22 28.591 15.205 17.982 1.00 0.00 C ATOM 359 CG ARG A 22 29.564 14.692 19.057 1.00 0.00 C ATOM 360 CD ARG A 22 30.368 13.472 18.601 1.00 0.00 C ATOM 361 NE ARG A 22 31.490 13.843 17.729 1.00 0.00 N ATOM 362 CZ ARG A 22 31.533 13.863 16.414 1.00 0.00 C ATOM 363 NH1 ARG A 22 30.558 13.476 15.650 1.00 0.00 N ATOM 364 NH2 ARG A 22 32.602 14.293 15.829 1.00 0.00 N ATOM 0 H ARG A 22 29.371 17.641 18.030 1.00 0.00 H new ATOM 0 HA ARG A 22 26.836 16.344 17.730 1.00 0.00 H new ATOM 0 HB2 ARG A 22 27.947 14.380 17.679 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.169 15.497 17.105 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.252 15.493 19.329 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.002 14.435 19.955 1.00 0.00 H new ATOM 0 HD2 ARG A 22 30.748 12.942 19.474 1.00 0.00 H new ATOM 0 HD3 ARG A 22 29.711 12.783 18.071 1.00 0.00 H new ATOM 0 HE ARG A 22 32.348 14.122 18.205 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.692 13.130 16.064 1.00 0.00 H new ATOM 0 HH12 ARG A 22 30.657 13.518 14.636 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.396 14.610 16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.652 14.315 14.810 1.00 0.00 H new ATOM 378 N ILE A 23 27.849 16.756 20.830 1.00 0.00 N ATOM 379 CA ILE A 23 27.420 16.641 22.237 1.00 0.00 C ATOM 380 C ILE A 23 26.330 17.649 22.631 1.00 0.00 C ATOM 381 O ILE A 23 25.625 17.396 23.604 1.00 0.00 O ATOM 382 CB ILE A 23 28.618 16.623 23.215 1.00 0.00 C ATOM 383 CG1 ILE A 23 29.361 17.970 23.326 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.593 15.493 22.847 1.00 0.00 C ATOM 385 CD1 ILE A 23 28.884 18.828 24.503 1.00 0.00 C ATOM 0 H ILE A 23 28.745 17.229 20.711 1.00 0.00 H new ATOM 0 HA ILE A 23 26.940 15.666 22.324 1.00 0.00 H new ATOM 0 HB ILE A 23 28.196 16.438 24.203 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.429 17.781 23.432 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.227 18.529 22.400 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.431 15.494 23.545 1.00 0.00 H new ATOM 0 HG22 ILE A 23 29.076 14.535 22.901 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.964 15.648 21.834 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.447 19.761 24.524 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.822 19.047 24.387 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.043 18.287 25.436 1.00 0.00 H new ATOM 397 N PHE A 24 26.123 18.728 21.862 1.00 0.00 N ATOM 398 CA PHE A 24 24.988 19.655 22.040 1.00 0.00 C ATOM 399 C PHE A 24 23.891 19.573 20.963 1.00 0.00 C ATOM 400 O PHE A 24 22.833 20.156 21.170 1.00 0.00 O ATOM 401 CB PHE A 24 25.481 21.102 22.222 1.00 0.00 C ATOM 402 CG PHE A 24 26.267 21.382 23.492 1.00 0.00 C ATOM 403 CD1 PHE A 24 25.789 20.960 24.748 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.447 22.147 23.437 1.00 0.00 C ATOM 405 CE1 PHE A 24 26.480 21.306 25.922 1.00 0.00 C ATOM 406 CE2 PHE A 24 28.132 22.486 24.619 1.00 0.00 C ATOM 407 CZ PHE A 24 27.654 22.070 25.870 1.00 0.00 C ATOM 0 H PHE A 24 26.741 18.987 21.093 1.00 0.00 H new ATOM 0 HA PHE A 24 24.498 19.318 22.954 1.00 0.00 H new ATOM 0 HB2 PHE A 24 26.105 21.363 21.367 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.616 21.765 22.200 1.00 0.00 H new ATOM 0 HD1 PHE A 24 24.888 20.368 24.809 1.00 0.00 H new ATOM 0 HD2 PHE A 24 27.829 22.476 22.482 1.00 0.00 H new ATOM 0 HE1 PHE A 24 26.101 20.978 26.879 1.00 0.00 H new ATOM 0 HE2 PHE A 24 29.036 23.073 24.562 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.180 22.333 26.776 1.00 0.00 H new ATOM 417 N SER A 25 24.063 18.831 19.860 1.00 0.00 N ATOM 418 CA SER A 25 23.045 18.672 18.795 1.00 0.00 C ATOM 419 C SER A 25 21.622 18.348 19.305 1.00 0.00 C ATOM 420 O SER A 25 20.691 19.064 18.927 1.00 0.00 O ATOM 421 CB SER A 25 23.470 17.592 17.786 1.00 0.00 C ATOM 422 OG SER A 25 24.407 18.112 16.861 1.00 0.00 O ATOM 0 H SER A 25 24.923 18.315 19.674 1.00 0.00 H new ATOM 0 HA SER A 25 22.993 19.651 18.318 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.906 16.744 18.315 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.595 17.220 17.254 1.00 0.00 H new ATOM 0 HG SER A 25 25.129 18.564 17.346 1.00 0.00 H new ATOM 428 N PRO A 26 21.413 17.358 20.199 1.00 0.00 N ATOM 429 CA PRO A 26 20.084 17.076 20.751 1.00 0.00 C ATOM 430 C PRO A 26 19.624 18.080 21.826 1.00 0.00 C ATOM 431 O PRO A 26 18.468 18.035 22.253 1.00 0.00 O ATOM 432 CB PRO A 26 20.177 15.651 21.300 1.00 0.00 C ATOM 433 CG PRO A 26 21.642 15.496 21.678 1.00 0.00 C ATOM 434 CD PRO A 26 22.365 16.340 20.634 1.00 0.00 C ATOM 0 HA PRO A 26 19.323 17.176 19.977 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.526 15.513 22.163 1.00 0.00 H new ATOM 0 HB3 PRO A 26 19.878 14.915 20.553 1.00 0.00 H new ATOM 0 HG2 PRO A 26 21.836 15.854 22.689 1.00 0.00 H new ATOM 0 HG3 PRO A 26 21.959 14.454 21.642 1.00 0.00 H new ATOM 0 HD2 PRO A 26 23.259 16.799 21.056 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.689 15.726 19.794 1.00 0.00 H new ATOM 442 N TYR A 27 20.493 18.986 22.282 1.00 0.00 N ATOM 443 CA TYR A 27 20.189 20.001 23.297 1.00 0.00 C ATOM 444 C TYR A 27 19.843 21.368 22.686 1.00 0.00 C ATOM 445 O TYR A 27 18.987 22.074 23.225 1.00 0.00 O ATOM 446 CB TYR A 27 21.356 20.139 24.285 1.00 0.00 C ATOM 447 CG TYR A 27 21.722 18.896 25.083 1.00 0.00 C ATOM 448 CD1 TYR A 27 22.529 17.893 24.512 1.00 0.00 C ATOM 449 CD2 TYR A 27 21.293 18.756 26.417 1.00 0.00 C ATOM 450 CE1 TYR A 27 22.896 16.756 25.258 1.00 0.00 C ATOM 451 CE2 TYR A 27 21.654 17.616 27.167 1.00 0.00 C ATOM 452 CZ TYR A 27 22.459 16.611 26.591 1.00 0.00 C ATOM 453 OH TYR A 27 22.817 15.515 27.319 1.00 0.00 O ATOM 0 H TYR A 27 21.455 19.036 21.946 1.00 0.00 H new ATOM 0 HA TYR A 27 19.302 19.657 23.830 1.00 0.00 H new ATOM 0 HB2 TYR A 27 22.237 20.459 23.729 1.00 0.00 H new ATOM 0 HB3 TYR A 27 21.115 20.937 24.988 1.00 0.00 H new ATOM 0 HD1 TYR A 27 22.870 17.997 23.492 1.00 0.00 H new ATOM 0 HD2 TYR A 27 20.684 19.525 26.869 1.00 0.00 H new ATOM 0 HE1 TYR A 27 23.514 15.993 24.808 1.00 0.00 H new ATOM 0 HE2 TYR A 27 21.312 17.513 28.186 1.00 0.00 H new ATOM 0 HH TYR A 27 22.430 15.578 28.217 1.00 0.00 H new ATOM 463 N GLY A 28 20.449 21.727 21.546 1.00 0.00 N ATOM 464 CA GLY A 28 20.205 23.009 20.890 1.00 0.00 C ATOM 465 C GLY A 28 20.713 23.152 19.452 1.00 0.00 C ATOM 466 O GLY A 28 21.255 22.226 18.845 1.00 0.00 O ATOM 0 H GLY A 28 21.120 21.135 21.057 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.131 23.193 20.892 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.664 23.793 21.493 1.00 0.00 H new ATOM 470 N HIS A 29 20.484 24.333 18.876 1.00 0.00 N ATOM 471 CA HIS A 29 20.457 24.552 17.425 1.00 0.00 C ATOM 472 C HIS A 29 21.790 25.000 16.792 1.00 0.00 C ATOM 473 O HIS A 29 21.943 24.778 15.596 1.00 0.00 O ATOM 474 CB HIS A 29 19.295 25.503 17.087 1.00 0.00 C ATOM 475 CG HIS A 29 17.933 24.988 17.490 1.00 0.00 C ATOM 476 ND1 HIS A 29 17.254 25.312 18.671 1.00 0.00 N ATOM 477 CD2 HIS A 29 17.159 24.133 16.764 1.00 0.00 C ATOM 478 CE1 HIS A 29 16.106 24.615 18.641 1.00 0.00 C ATOM 479 NE2 HIS A 29 16.017 23.917 17.499 1.00 0.00 N ATOM 0 H HIS A 29 20.308 25.182 19.413 1.00 0.00 H new ATOM 0 HA HIS A 29 20.293 23.578 16.965 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.469 26.460 17.579 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.296 25.692 16.014 1.00 0.00 H new ATOM 0 HD2 HIS A 29 17.396 23.708 15.800 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.362 24.616 19.424 1.00 0.00 H new ATOM 0 HE2 HIS A 29 15.234 23.325 17.222 1.00 0.00 H new ATOM 487 N ILE A 30 22.760 25.526 17.561 1.00 0.00 N ATOM 488 CA ILE A 30 24.138 25.909 17.134 1.00 0.00 C ATOM 489 C ILE A 30 24.236 27.010 16.042 1.00 0.00 C ATOM 490 O ILE A 30 23.357 27.151 15.198 1.00 0.00 O ATOM 491 CB ILE A 30 24.975 24.634 16.808 1.00 0.00 C ATOM 492 CG1 ILE A 30 26.271 24.513 17.648 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.276 24.435 15.310 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.418 25.476 17.321 1.00 0.00 C ATOM 0 H ILE A 30 22.606 25.709 18.552 1.00 0.00 H new ATOM 0 HA ILE A 30 24.582 26.411 17.993 1.00 0.00 H new ATOM 0 HB ILE A 30 24.314 23.819 17.103 1.00 0.00 H new ATOM 0 HG12 ILE A 30 26.006 24.649 18.697 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.646 23.495 17.543 1.00 0.00 H new ATOM 0 HG21 ILE A 30 25.862 23.526 15.174 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.339 24.349 14.759 1.00 0.00 H new ATOM 0 HG23 ILE A 30 25.840 25.289 14.936 1.00 0.00 H new ATOM 0 HD11 ILE A 30 28.259 25.279 17.985 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.731 25.332 16.287 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.081 26.503 17.458 1.00 0.00 H new ATOM 506 N MET A 31 25.339 27.773 16.028 1.00 0.00 N ATOM 507 CA MET A 31 25.743 28.671 14.928 1.00 0.00 C ATOM 508 C MET A 31 27.234 28.522 14.573 1.00 0.00 C ATOM 509 O MET A 31 27.550 28.039 13.484 1.00 0.00 O ATOM 510 CB MET A 31 25.417 30.148 15.249 1.00 0.00 C ATOM 511 CG MET A 31 24.003 30.577 14.860 1.00 0.00 C ATOM 512 SD MET A 31 23.794 30.837 13.077 1.00 0.00 S ATOM 513 CE MET A 31 22.685 29.466 12.672 1.00 0.00 C ATOM 0 H MET A 31 25.998 27.785 16.806 1.00 0.00 H new ATOM 0 HA MET A 31 25.160 28.369 14.058 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.554 30.314 16.317 1.00 0.00 H new ATOM 0 HB3 MET A 31 26.133 30.787 14.732 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.296 29.818 15.194 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.753 31.499 15.386 1.00 0.00 H new ATOM 0 HE1 MET A 31 22.585 29.386 11.590 1.00 0.00 H new ATOM 0 HE2 MET A 31 23.095 28.537 13.068 1.00 0.00 H new ATOM 0 HE3 MET A 31 21.705 29.648 13.114 1.00 0.00 H new ATOM 523 N GLN A 32 28.138 28.941 15.467 1.00 0.00 N ATOM 524 CA GLN A 32 29.575 29.145 15.208 1.00 0.00 C ATOM 525 C GLN A 32 30.406 28.933 16.493 1.00 0.00 C ATOM 526 O GLN A 32 29.836 28.779 17.567 1.00 0.00 O ATOM 527 CB GLN A 32 29.778 30.556 14.610 1.00 0.00 C ATOM 528 CG GLN A 32 31.115 30.780 13.886 1.00 0.00 C ATOM 529 CD GLN A 32 31.404 29.694 12.859 1.00 0.00 C ATOM 530 OE1 GLN A 32 32.185 28.777 13.099 1.00 0.00 O ATOM 531 NE2 GLN A 32 30.717 29.707 11.739 1.00 0.00 N ATOM 0 H GLN A 32 27.882 29.157 16.430 1.00 0.00 H new ATOM 0 HA GLN A 32 29.929 28.407 14.489 1.00 0.00 H new ATOM 0 HB2 GLN A 32 28.967 30.755 13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 32 29.692 31.288 15.413 1.00 0.00 H new ATOM 0 HG2 GLN A 32 31.099 31.751 13.391 1.00 0.00 H new ATOM 0 HG3 GLN A 32 31.922 30.809 14.618 1.00 0.00 H new ATOM 0 HE21 GLN A 32 30.070 30.472 11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 32 30.831 28.952 11.062 1.00 0.00 H new ATOM 540 N ILE A 33 31.740 28.888 16.420 1.00 0.00 N ATOM 541 CA ILE A 33 32.605 28.488 17.544 1.00 0.00 C ATOM 542 C ILE A 33 33.735 29.504 17.770 1.00 0.00 C ATOM 543 O ILE A 33 34.369 29.935 16.807 1.00 0.00 O ATOM 544 CB ILE A 33 33.171 27.067 17.298 1.00 0.00 C ATOM 545 CG1 ILE A 33 32.102 25.975 17.033 1.00 0.00 C ATOM 546 CG2 ILE A 33 33.987 26.603 18.518 1.00 0.00 C ATOM 547 CD1 ILE A 33 31.564 25.862 15.600 1.00 0.00 C ATOM 0 H ILE A 33 32.258 29.129 15.575 1.00 0.00 H new ATOM 0 HA ILE A 33 32.002 28.470 18.452 1.00 0.00 H new ATOM 0 HB ILE A 33 33.776 27.169 16.397 1.00 0.00 H new ATOM 0 HG12 ILE A 33 32.526 25.011 17.313 1.00 0.00 H new ATOM 0 HG13 ILE A 33 31.258 26.158 17.699 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.380 25.603 18.334 1.00 0.00 H new ATOM 0 HG22 ILE A 33 34.814 27.293 18.686 1.00 0.00 H new ATOM 0 HG23 ILE A 33 33.345 26.584 19.399 1.00 0.00 H new ATOM 0 HD11 ILE A 33 30.825 25.062 15.551 1.00 0.00 H new ATOM 0 HD12 ILE A 33 31.099 26.804 15.311 1.00 0.00 H new ATOM 0 HD13 ILE A 33 32.386 25.639 14.919 1.00 0.00 H new ATOM 559 N ASN A 34 34.020 29.840 19.037 1.00 0.00 N ATOM 560 CA ASN A 34 35.167 30.649 19.465 1.00 0.00 C ATOM 561 C ASN A 34 35.774 30.099 20.775 1.00 0.00 C ATOM 562 O ASN A 34 35.657 30.692 21.852 1.00 0.00 O ATOM 563 CB ASN A 34 34.733 32.114 19.625 1.00 0.00 C ATOM 564 CG ASN A 34 34.436 32.831 18.329 1.00 0.00 C ATOM 565 OD1 ASN A 34 33.305 33.208 18.059 1.00 0.00 O ATOM 566 ND2 ASN A 34 35.436 33.095 17.523 1.00 0.00 N ATOM 0 H ASN A 34 33.436 29.544 19.819 1.00 0.00 H new ATOM 0 HA ASN A 34 35.943 30.595 18.702 1.00 0.00 H new ATOM 0 HB2 ASN A 34 33.844 32.148 20.255 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.518 32.656 20.152 1.00 0.00 H new ATOM 0 HD21 ASN A 34 35.273 33.619 16.663 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.377 32.777 17.756 1.00 0.00 H new ATOM 573 N ILE A 35 36.443 28.945 20.707 1.00 0.00 N ATOM 574 CA ILE A 35 37.172 28.411 21.864 1.00 0.00 C ATOM 575 C ILE A 35 38.511 29.146 21.982 1.00 0.00 C ATOM 576 O ILE A 35 39.436 28.935 21.189 1.00 0.00 O ATOM 577 CB ILE A 35 37.280 26.872 21.827 1.00 0.00 C ATOM 578 CG1 ILE A 35 35.856 26.285 21.988 1.00 0.00 C ATOM 579 CG2 ILE A 35 38.205 26.361 22.952 1.00 0.00 C ATOM 580 CD1 ILE A 35 35.781 24.757 22.002 1.00 0.00 C ATOM 0 H ILE A 35 36.496 28.365 19.870 1.00 0.00 H new ATOM 0 HA ILE A 35 36.614 28.603 22.781 1.00 0.00 H new ATOM 0 HB ILE A 35 37.712 26.554 20.878 1.00 0.00 H new ATOM 0 HG12 ILE A 35 35.427 26.663 22.916 1.00 0.00 H new ATOM 0 HG13 ILE A 35 35.233 26.656 21.174 1.00 0.00 H new ATOM 0 HG21 ILE A 35 38.266 25.274 22.907 1.00 0.00 H new ATOM 0 HG22 ILE A 35 39.201 26.786 22.826 1.00 0.00 H new ATOM 0 HG23 ILE A 35 37.802 26.662 23.919 1.00 0.00 H new ATOM 0 HD11 ILE A 35 34.743 24.445 22.119 1.00 0.00 H new ATOM 0 HD12 ILE A 35 36.175 24.365 21.064 1.00 0.00 H new ATOM 0 HD13 ILE A 35 36.372 24.371 22.833 1.00 0.00 H new ATOM 592 N LYS A 36 38.592 30.009 22.998 1.00 0.00 N ATOM 593 CA LYS A 36 39.774 30.777 23.405 1.00 0.00 C ATOM 594 C LYS A 36 40.001 30.615 24.909 1.00 0.00 C ATOM 595 O LYS A 36 39.044 30.712 25.680 1.00 0.00 O ATOM 596 CB LYS A 36 39.588 32.265 23.055 1.00 0.00 C ATOM 597 CG LYS A 36 39.425 32.529 21.550 1.00 0.00 C ATOM 598 CD LYS A 36 39.318 34.034 21.271 1.00 0.00 C ATOM 599 CE LYS A 36 39.242 34.272 19.762 1.00 0.00 C ATOM 600 NZ LYS A 36 39.290 35.709 19.421 1.00 0.00 N ATOM 0 H LYS A 36 37.787 30.202 23.594 1.00 0.00 H new ATOM 0 HA LYS A 36 40.645 30.400 22.869 1.00 0.00 H new ATOM 0 HB2 LYS A 36 38.711 32.646 23.579 1.00 0.00 H new ATOM 0 HB3 LYS A 36 40.447 32.826 23.422 1.00 0.00 H new ATOM 0 HG2 LYS A 36 40.275 32.113 21.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 38.534 32.022 21.181 1.00 0.00 H new ATOM 0 HD2 LYS A 36 38.433 34.442 21.759 1.00 0.00 H new ATOM 0 HD3 LYS A 36 40.180 34.554 21.688 1.00 0.00 H new ATOM 0 HE2 LYS A 36 40.068 33.756 19.272 1.00 0.00 H new ATOM 0 HE3 LYS A 36 38.320 33.839 19.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 39.236 35.823 18.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 38.487 36.198 19.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 40.181 36.119 19.768 1.00 0.00 H new ATOM 614 N ASN A 37 41.255 30.445 25.325 1.00 0.00 N ATOM 615 CA ASN A 37 41.662 30.293 26.734 1.00 0.00 C ATOM 616 C ASN A 37 40.880 29.170 27.463 1.00 0.00 C ATOM 617 O ASN A 37 40.502 28.186 26.823 1.00 0.00 O ATOM 618 CB ASN A 37 41.649 31.681 27.417 1.00 0.00 C ATOM 619 CG ASN A 37 42.429 32.756 26.675 1.00 0.00 C ATOM 620 OD1 ASN A 37 43.288 32.488 25.843 1.00 0.00 O ATOM 621 ND2 ASN A 37 42.152 34.007 26.942 1.00 0.00 N ATOM 0 H ASN A 37 42.043 30.407 24.678 1.00 0.00 H new ATOM 0 HA ASN A 37 42.689 29.933 26.791 1.00 0.00 H new ATOM 0 HB2 ASN A 37 40.615 32.009 27.525 1.00 0.00 H new ATOM 0 HB3 ASN A 37 42.058 31.581 28.422 1.00 0.00 H new ATOM 0 HD21 ASN A 37 42.650 34.754 26.458 1.00 0.00 H new ATOM 0 HD22 ASN A 37 41.438 34.235 27.634 1.00 0.00 H new ATOM 628 N ALA A 38 40.650 29.280 28.780 1.00 0.00 N ATOM 629 CA ALA A 38 39.825 28.329 29.536 1.00 0.00 C ATOM 630 C ALA A 38 38.323 28.633 29.401 1.00 0.00 C ATOM 631 O ALA A 38 37.501 27.724 29.335 1.00 0.00 O ATOM 632 CB ALA A 38 40.246 28.355 31.011 1.00 0.00 C ATOM 0 H ALA A 38 41.033 30.034 29.351 1.00 0.00 H new ATOM 0 HA ALA A 38 39.987 27.334 29.122 1.00 0.00 H new ATOM 0 HB1 ALA A 38 39.636 27.650 31.576 1.00 0.00 H new ATOM 0 HB2 ALA A 38 41.296 28.074 31.095 1.00 0.00 H new ATOM 0 HB3 ALA A 38 40.106 29.359 31.412 1.00 0.00 H new ATOM 638 N PHE A 39 37.960 29.914 29.341 1.00 0.00 N ATOM 639 CA PHE A 39 36.581 30.380 29.178 1.00 0.00 C ATOM 640 C PHE A 39 36.154 30.374 27.703 1.00 0.00 C ATOM 641 O PHE A 39 35.913 31.421 27.098 1.00 0.00 O ATOM 642 CB PHE A 39 36.430 31.747 29.857 1.00 0.00 C ATOM 643 CG PHE A 39 36.517 31.677 31.367 1.00 0.00 C ATOM 644 CD1 PHE A 39 35.424 31.190 32.108 1.00 0.00 C ATOM 645 CD2 PHE A 39 37.684 32.086 32.036 1.00 0.00 C ATOM 646 CE1 PHE A 39 35.491 31.121 33.511 1.00 0.00 C ATOM 647 CE2 PHE A 39 37.752 32.011 33.438 1.00 0.00 C ATOM 648 CZ PHE A 39 36.659 31.526 34.177 1.00 0.00 C ATOM 0 H PHE A 39 38.634 30.677 29.406 1.00 0.00 H new ATOM 0 HA PHE A 39 35.896 29.690 29.671 1.00 0.00 H new ATOM 0 HB2 PHE A 39 37.205 32.417 29.486 1.00 0.00 H new ATOM 0 HB3 PHE A 39 35.471 32.182 29.575 1.00 0.00 H new ATOM 0 HD1 PHE A 39 34.529 30.868 31.596 1.00 0.00 H new ATOM 0 HD2 PHE A 39 38.528 32.458 31.473 1.00 0.00 H new ATOM 0 HE1 PHE A 39 34.645 30.757 34.075 1.00 0.00 H new ATOM 0 HE2 PHE A 39 38.649 32.328 33.950 1.00 0.00 H new ATOM 0 HZ PHE A 39 36.717 31.465 35.254 1.00 0.00 H new ATOM 658 N GLY A 40 36.103 29.183 27.106 1.00 0.00 N ATOM 659 CA GLY A 40 35.642 28.992 25.732 1.00 0.00 C ATOM 660 C GLY A 40 34.155 29.324 25.566 1.00 0.00 C ATOM 661 O GLY A 40 33.340 29.060 26.455 1.00 0.00 O ATOM 0 H GLY A 40 36.383 28.317 27.567 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.229 29.621 25.063 1.00 0.00 H new ATOM 0 HA3 GLY A 40 35.817 27.959 25.433 1.00 0.00 H new ATOM 665 N PHE A 41 33.787 29.879 24.408 1.00 0.00 N ATOM 666 CA PHE A 41 32.400 30.206 24.077 1.00 0.00 C ATOM 667 C PHE A 41 32.013 29.752 22.664 1.00 0.00 C ATOM 668 O PHE A 41 32.843 29.522 21.783 1.00 0.00 O ATOM 669 CB PHE A 41 32.104 31.690 24.362 1.00 0.00 C ATOM 670 CG PHE A 41 33.050 32.702 23.740 1.00 0.00 C ATOM 671 CD1 PHE A 41 34.203 33.110 24.438 1.00 0.00 C ATOM 672 CD2 PHE A 41 32.760 33.269 22.485 1.00 0.00 C ATOM 673 CE1 PHE A 41 35.075 34.058 23.875 1.00 0.00 C ATOM 674 CE2 PHE A 41 33.629 34.223 21.926 1.00 0.00 C ATOM 675 CZ PHE A 41 34.792 34.611 22.614 1.00 0.00 C ATOM 0 H PHE A 41 34.449 30.115 23.669 1.00 0.00 H new ATOM 0 HA PHE A 41 31.749 29.632 24.736 1.00 0.00 H new ATOM 0 HB2 PHE A 41 31.094 31.909 24.015 1.00 0.00 H new ATOM 0 HB3 PHE A 41 32.109 31.837 25.442 1.00 0.00 H new ATOM 0 HD1 PHE A 41 34.418 32.693 25.411 1.00 0.00 H new ATOM 0 HD2 PHE A 41 31.870 32.971 21.951 1.00 0.00 H new ATOM 0 HE1 PHE A 41 35.962 34.361 24.411 1.00 0.00 H new ATOM 0 HE2 PHE A 41 33.402 34.659 20.964 1.00 0.00 H new ATOM 0 HZ PHE A 41 35.466 35.332 22.175 1.00 0.00 H new ATOM 685 N ILE A 42 30.712 29.545 22.474 1.00 0.00 N ATOM 686 CA ILE A 42 30.114 28.965 21.273 1.00 0.00 C ATOM 687 C ILE A 42 28.911 29.829 20.897 1.00 0.00 C ATOM 688 O ILE A 42 28.022 30.078 21.708 1.00 0.00 O ATOM 689 CB ILE A 42 29.722 27.485 21.507 1.00 0.00 C ATOM 690 CG1 ILE A 42 30.904 26.623 22.023 1.00 0.00 C ATOM 691 CG2 ILE A 42 29.197 26.894 20.186 1.00 0.00 C ATOM 692 CD1 ILE A 42 30.499 25.233 22.530 1.00 0.00 C ATOM 0 H ILE A 42 30.017 29.786 23.181 1.00 0.00 H new ATOM 0 HA ILE A 42 30.829 28.957 20.450 1.00 0.00 H new ATOM 0 HB ILE A 42 28.953 27.467 22.279 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.631 26.506 21.219 1.00 0.00 H new ATOM 0 HG13 ILE A 42 31.404 27.159 22.829 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.918 25.852 20.339 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.325 27.458 19.856 1.00 0.00 H new ATOM 0 HG23 ILE A 42 29.976 26.953 19.426 1.00 0.00 H new ATOM 0 HD11 ILE A 42 31.385 24.698 22.872 1.00 0.00 H new ATOM 0 HD12 ILE A 42 29.797 25.338 23.357 1.00 0.00 H new ATOM 0 HD13 ILE A 42 30.027 24.674 21.722 1.00 0.00 H new ATOM 704 N GLN A 43 28.870 30.290 19.657 1.00 0.00 N ATOM 705 CA GLN A 43 27.732 31.009 19.103 1.00 0.00 C ATOM 706 C GLN A 43 26.624 30.015 18.750 1.00 0.00 C ATOM 707 O GLN A 43 26.878 28.958 18.171 1.00 0.00 O ATOM 708 CB GLN A 43 28.203 31.786 17.878 1.00 0.00 C ATOM 709 CG GLN A 43 27.325 32.995 17.553 1.00 0.00 C ATOM 710 CD GLN A 43 27.815 33.662 16.278 1.00 0.00 C ATOM 711 OE1 GLN A 43 27.112 33.751 15.284 1.00 0.00 O ATOM 712 NE2 GLN A 43 29.044 34.114 16.241 1.00 0.00 N ATOM 0 H GLN A 43 29.638 30.174 18.996 1.00 0.00 H new ATOM 0 HA GLN A 43 27.325 31.713 19.829 1.00 0.00 H new ATOM 0 HB2 GLN A 43 29.227 32.123 18.042 1.00 0.00 H new ATOM 0 HB3 GLN A 43 28.221 31.117 17.017 1.00 0.00 H new ATOM 0 HG2 GLN A 43 26.288 32.681 17.434 1.00 0.00 H new ATOM 0 HG3 GLN A 43 27.350 33.706 18.379 1.00 0.00 H new ATOM 0 HE21 GLN A 43 29.638 34.044 17.067 1.00 0.00 H new ATOM 0 HE22 GLN A 43 29.407 34.536 15.386 1.00 0.00 H new ATOM 721 N PHE A 44 25.382 30.353 19.057 1.00 0.00 N ATOM 722 CA PHE A 44 24.245 29.442 18.963 1.00 0.00 C ATOM 723 C PHE A 44 23.064 30.050 18.210 1.00 0.00 C ATOM 724 O PHE A 44 22.974 31.262 18.030 1.00 0.00 O ATOM 725 CB PHE A 44 23.847 28.994 20.372 1.00 0.00 C ATOM 726 CG PHE A 44 24.268 27.580 20.719 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.610 27.295 21.024 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.311 26.549 20.759 1.00 0.00 C ATOM 729 CE1 PHE A 44 25.993 25.984 21.358 1.00 0.00 C ATOM 730 CE2 PHE A 44 23.695 25.239 21.098 1.00 0.00 C ATOM 731 CZ PHE A 44 25.038 24.955 21.397 1.00 0.00 C ATOM 0 H PHE A 44 25.128 31.285 19.385 1.00 0.00 H new ATOM 0 HA PHE A 44 24.548 28.574 18.378 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.287 29.680 21.096 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.765 29.074 20.474 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.348 28.084 21.002 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.278 26.764 20.529 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.026 25.767 21.586 1.00 0.00 H new ATOM 0 HE2 PHE A 44 22.957 24.451 21.128 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.335 23.949 21.656 1.00 0.00 H new ATOM 741 N ASP A 45 22.142 29.175 17.824 1.00 0.00 N ATOM 742 CA ASP A 45 20.784 29.525 17.427 1.00 0.00 C ATOM 743 C ASP A 45 19.820 29.198 18.583 1.00 0.00 C ATOM 744 O ASP A 45 20.048 28.229 19.306 1.00 0.00 O ATOM 745 CB ASP A 45 20.481 28.827 16.090 1.00 0.00 C ATOM 746 CG ASP A 45 19.075 29.063 15.546 1.00 0.00 C ATOM 747 OD1 ASP A 45 18.409 30.030 15.963 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.633 28.272 14.676 1.00 0.00 O ATOM 0 H ASP A 45 22.325 28.173 17.777 1.00 0.00 H new ATOM 0 HA ASP A 45 20.656 30.592 17.246 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.204 29.166 15.348 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.631 27.755 16.214 1.00 0.00 H new ATOM 753 N ASN A 46 18.770 30.007 18.756 1.00 0.00 N ATOM 754 CA ASN A 46 17.779 30.017 19.847 1.00 0.00 C ATOM 755 C ASN A 46 18.347 30.089 21.295 1.00 0.00 C ATOM 756 O ASN A 46 19.055 29.181 21.737 1.00 0.00 O ATOM 757 CB ASN A 46 16.829 28.821 19.677 1.00 0.00 C ATOM 758 CG ASN A 46 15.880 28.934 18.500 1.00 0.00 C ATOM 759 OD1 ASN A 46 15.427 30.007 18.118 1.00 0.00 O ATOM 760 ND2 ASN A 46 15.519 27.813 17.927 1.00 0.00 N ATOM 0 H ASN A 46 18.570 30.740 18.076 1.00 0.00 H new ATOM 0 HA ASN A 46 17.244 30.961 19.746 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.423 27.915 19.562 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.244 28.705 20.589 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.854 27.827 17.154 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.903 26.926 18.254 1.00 0.00 H new ATOM 767 N PRO A 47 17.946 31.079 22.120 1.00 0.00 N ATOM 768 CA PRO A 47 18.486 31.248 23.474 1.00 0.00 C ATOM 769 C PRO A 47 18.015 30.157 24.441 1.00 0.00 C ATOM 770 O PRO A 47 18.768 29.751 25.322 1.00 0.00 O ATOM 771 CB PRO A 47 18.026 32.636 23.918 1.00 0.00 C ATOM 772 CG PRO A 47 16.713 32.845 23.167 1.00 0.00 C ATOM 773 CD PRO A 47 16.931 32.090 21.856 1.00 0.00 C ATOM 0 HA PRO A 47 19.572 31.158 23.475 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.881 32.683 24.997 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.759 33.401 23.662 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.864 32.447 23.723 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.513 33.902 22.993 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.004 31.628 21.516 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.257 32.769 21.068 1.00 0.00 H new ATOM 781 N GLN A 48 16.816 29.602 24.230 1.00 0.00 N ATOM 782 CA GLN A 48 16.316 28.439 24.975 1.00 0.00 C ATOM 783 C GLN A 48 17.202 27.200 24.755 1.00 0.00 C ATOM 784 O GLN A 48 17.380 26.375 25.652 1.00 0.00 O ATOM 785 CB GLN A 48 14.871 28.140 24.555 1.00 0.00 C ATOM 786 CG GLN A 48 13.955 29.340 24.836 1.00 0.00 C ATOM 787 CD GLN A 48 12.478 29.070 24.583 1.00 0.00 C ATOM 788 OE1 GLN A 48 12.075 28.102 23.947 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.625 29.930 25.086 1.00 0.00 N ATOM 0 H GLN A 48 16.159 29.950 23.531 1.00 0.00 H new ATOM 0 HA GLN A 48 16.346 28.679 26.038 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.841 27.896 23.493 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.506 27.266 25.094 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.084 29.646 25.874 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.271 30.178 24.215 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.963 30.734 25.615 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.623 29.795 24.949 1.00 0.00 H new ATOM 798 N SER A 49 17.808 27.121 23.569 1.00 0.00 N ATOM 799 CA SER A 49 18.722 26.064 23.147 1.00 0.00 C ATOM 800 C SER A 49 20.139 26.264 23.695 1.00 0.00 C ATOM 801 O SER A 49 20.764 25.289 24.111 1.00 0.00 O ATOM 802 CB SER A 49 18.635 25.943 21.622 1.00 0.00 C ATOM 803 OG SER A 49 19.857 26.202 20.969 1.00 0.00 O ATOM 0 H SER A 49 17.667 27.826 22.845 1.00 0.00 H new ATOM 0 HA SER A 49 18.424 25.108 23.577 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.299 24.939 21.363 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.880 26.637 21.252 1.00 0.00 H new ATOM 0 HG SER A 49 19.758 26.985 20.388 1.00 0.00 H new ATOM 809 N VAL A 50 20.594 27.520 23.837 1.00 0.00 N ATOM 810 CA VAL A 50 21.780 27.851 24.644 1.00 0.00 C ATOM 811 C VAL A 50 21.597 27.370 26.073 1.00 0.00 C ATOM 812 O VAL A 50 22.417 26.590 26.559 1.00 0.00 O ATOM 813 CB VAL A 50 22.097 29.360 24.671 1.00 0.00 C ATOM 814 CG1 VAL A 50 23.161 29.703 25.722 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.614 29.814 23.318 1.00 0.00 C ATOM 0 H VAL A 50 20.154 28.329 23.399 1.00 0.00 H new ATOM 0 HA VAL A 50 22.618 27.343 24.167 1.00 0.00 H new ATOM 0 HB VAL A 50 21.168 29.871 24.922 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.354 30.776 25.707 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.804 29.412 26.710 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.082 29.165 25.496 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.834 30.881 23.352 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.523 29.264 23.072 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.858 29.623 22.557 1.00 0.00 H new ATOM 825 N ARG A 51 20.546 27.834 26.763 1.00 0.00 N ATOM 826 CA ARG A 51 20.392 27.524 28.188 1.00 0.00 C ATOM 827 C ARG A 51 20.192 26.036 28.411 1.00 0.00 C ATOM 828 O ARG A 51 20.918 25.487 29.219 1.00 0.00 O ATOM 829 CB ARG A 51 19.410 28.452 28.922 1.00 0.00 C ATOM 830 CG ARG A 51 17.989 28.550 28.369 1.00 0.00 C ATOM 831 CD ARG A 51 16.977 27.521 28.880 1.00 0.00 C ATOM 832 NE ARG A 51 15.619 27.970 28.547 1.00 0.00 N ATOM 833 CZ ARG A 51 14.537 27.255 28.325 1.00 0.00 C ATOM 834 NH1 ARG A 51 14.483 25.960 28.384 1.00 0.00 N ATOM 835 NH2 ARG A 51 13.427 27.853 28.016 1.00 0.00 N ATOM 0 H ARG A 51 19.805 28.413 26.367 1.00 0.00 H new ATOM 0 HA ARG A 51 21.336 27.759 28.681 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.346 28.122 29.959 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.837 29.455 28.932 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.605 29.545 28.594 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.040 28.466 27.283 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.171 26.548 28.429 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.078 27.399 29.958 1.00 0.00 H new ATOM 0 HE ARG A 51 15.497 28.980 28.478 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.320 25.425 28.616 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.604 25.477 28.198 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.398 28.870 27.947 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.584 27.306 27.842 1.00 0.00 H new ATOM 849 N ASP A 52 19.355 25.333 27.650 1.00 0.00 N ATOM 850 CA ASP A 52 19.194 23.885 27.852 1.00 0.00 C ATOM 851 C ASP A 52 20.475 23.071 27.605 1.00 0.00 C ATOM 852 O ASP A 52 20.665 22.052 28.270 1.00 0.00 O ATOM 853 CB ASP A 52 18.063 23.347 26.973 1.00 0.00 C ATOM 854 CG ASP A 52 16.669 23.686 27.492 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.499 24.004 28.696 1.00 0.00 O ATOM 856 OD2 ASP A 52 15.710 23.544 26.697 1.00 0.00 O ATOM 0 H ASP A 52 18.786 25.728 26.901 1.00 0.00 H new ATOM 0 HA ASP A 52 18.948 23.760 28.907 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.174 23.750 25.966 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.159 22.264 26.895 1.00 0.00 H new ATOM 861 N ALA A 53 21.378 23.520 26.727 1.00 0.00 N ATOM 862 CA ALA A 53 22.662 22.862 26.509 1.00 0.00 C ATOM 863 C ALA A 53 23.526 22.843 27.784 1.00 0.00 C ATOM 864 O ALA A 53 23.815 21.766 28.305 1.00 0.00 O ATOM 865 CB ALA A 53 23.346 23.510 25.300 1.00 0.00 C ATOM 0 H ALA A 53 21.236 24.349 26.150 1.00 0.00 H new ATOM 0 HA ALA A 53 22.506 21.808 26.278 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.308 23.028 25.125 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.715 23.392 24.419 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.502 24.571 25.496 1.00 0.00 H new ATOM 871 N ILE A 54 23.897 24.001 28.342 1.00 0.00 N ATOM 872 CA ILE A 54 24.707 24.043 29.577 1.00 0.00 C ATOM 873 C ILE A 54 23.900 23.894 30.875 1.00 0.00 C ATOM 874 O ILE A 54 24.478 23.525 31.890 1.00 0.00 O ATOM 875 CB ILE A 54 25.705 25.231 29.645 1.00 0.00 C ATOM 876 CG1 ILE A 54 25.405 26.446 28.750 1.00 0.00 C ATOM 877 CG2 ILE A 54 27.131 24.734 29.351 1.00 0.00 C ATOM 878 CD1 ILE A 54 24.118 27.188 29.101 1.00 0.00 C ATOM 0 H ILE A 54 23.654 24.918 27.966 1.00 0.00 H new ATOM 0 HA ILE A 54 25.315 23.141 29.502 1.00 0.00 H new ATOM 0 HB ILE A 54 25.594 25.603 30.663 1.00 0.00 H new ATOM 0 HG12 ILE A 54 26.240 27.143 28.814 1.00 0.00 H new ATOM 0 HG13 ILE A 54 25.346 26.113 27.714 1.00 0.00 H new ATOM 0 HG21 ILE A 54 27.826 25.572 29.400 1.00 0.00 H new ATOM 0 HG22 ILE A 54 27.414 23.984 30.089 1.00 0.00 H new ATOM 0 HG23 ILE A 54 27.164 24.293 28.355 1.00 0.00 H new ATOM 0 HD11 ILE A 54 23.986 28.029 28.420 1.00 0.00 H new ATOM 0 HD12 ILE A 54 23.270 26.509 29.009 1.00 0.00 H new ATOM 0 HD13 ILE A 54 24.178 27.556 30.125 1.00 0.00 H new ATOM 890 N GLU A 55 22.583 24.077 30.881 1.00 0.00 N ATOM 891 CA GLU A 55 21.748 23.831 32.068 1.00 0.00 C ATOM 892 C GLU A 55 21.383 22.361 32.244 1.00 0.00 C ATOM 893 O GLU A 55 21.103 21.964 33.374 1.00 0.00 O ATOM 894 CB GLU A 55 20.457 24.654 32.034 1.00 0.00 C ATOM 895 CG GLU A 55 20.720 26.157 32.145 1.00 0.00 C ATOM 896 CD GLU A 55 20.698 26.606 33.599 1.00 0.00 C ATOM 897 OE1 GLU A 55 21.393 25.996 34.459 1.00 0.00 O ATOM 898 OE2 GLU A 55 19.953 27.562 33.890 1.00 0.00 O ATOM 0 H GLU A 55 22.058 24.399 30.068 1.00 0.00 H new ATOM 0 HA GLU A 55 22.360 24.139 32.916 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.923 24.449 31.106 1.00 0.00 H new ATOM 0 HB3 GLU A 55 19.808 24.340 32.851 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.687 26.395 31.701 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.966 26.705 31.580 1.00 0.00 H new ATOM 905 N CYS A 56 21.410 21.559 31.172 1.00 0.00 N ATOM 906 CA CYS A 56 21.281 20.104 31.245 1.00 0.00 C ATOM 907 C CYS A 56 22.649 19.388 31.233 1.00 0.00 C ATOM 908 O CYS A 56 22.736 18.261 31.719 1.00 0.00 O ATOM 909 CB CYS A 56 20.341 19.626 30.132 1.00 0.00 C ATOM 910 SG CYS A 56 19.750 17.956 30.532 1.00 0.00 S ATOM 0 H CYS A 56 21.523 21.909 30.221 1.00 0.00 H new ATOM 0 HA CYS A 56 20.839 19.835 32.204 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.498 20.310 30.032 1.00 0.00 H new ATOM 0 HB3 CYS A 56 20.863 19.621 29.175 1.00 0.00 H new ATOM 0 HG CYS A 56 20.655 17.329 31.223 1.00 0.00 H new ATOM 916 N GLU A 57 23.730 20.014 30.746 1.00 0.00 N ATOM 917 CA GLU A 57 25.105 19.481 30.830 1.00 0.00 C ATOM 918 C GLU A 57 25.806 19.888 32.140 1.00 0.00 C ATOM 919 O GLU A 57 26.134 19.012 32.935 1.00 0.00 O ATOM 920 CB GLU A 57 25.892 19.873 29.566 1.00 0.00 C ATOM 921 CG GLU A 57 27.272 19.220 29.439 1.00 0.00 C ATOM 922 CD GLU A 57 27.195 17.692 29.332 1.00 0.00 C ATOM 923 OE1 GLU A 57 26.844 17.136 28.270 1.00 0.00 O ATOM 924 OE2 GLU A 57 27.547 17.002 30.322 1.00 0.00 O ATOM 0 H GLU A 57 23.677 20.917 30.275 1.00 0.00 H new ATOM 0 HA GLU A 57 25.061 18.392 30.864 1.00 0.00 H new ATOM 0 HB2 GLU A 57 25.299 19.610 28.690 1.00 0.00 H new ATOM 0 HB3 GLU A 57 26.016 20.956 29.554 1.00 0.00 H new ATOM 0 HG2 GLU A 57 27.778 19.617 28.559 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.878 19.490 30.304 1.00 0.00 H new ATOM 931 N SER A 58 25.926 21.185 32.453 1.00 0.00 N ATOM 932 CA SER A 58 26.324 21.708 33.782 1.00 0.00 C ATOM 933 C SER A 58 25.123 21.817 34.744 1.00 0.00 C ATOM 934 O SER A 58 24.987 22.776 35.511 1.00 0.00 O ATOM 935 CB SER A 58 27.098 23.039 33.688 1.00 0.00 C ATOM 936 OG SER A 58 28.325 22.893 32.994 1.00 0.00 O ATOM 0 H SER A 58 25.746 21.926 31.775 1.00 0.00 H new ATOM 0 HA SER A 58 27.012 20.975 34.203 1.00 0.00 H new ATOM 0 HB2 SER A 58 26.481 23.782 33.182 1.00 0.00 H new ATOM 0 HB3 SER A 58 27.292 23.417 34.692 1.00 0.00 H new ATOM 0 HG SER A 58 29.017 23.426 33.438 1.00 0.00 H new ATOM 942 N GLN A 59 24.229 20.828 34.695 1.00 0.00 N ATOM 943 CA GLN A 59 23.044 20.714 35.550 1.00 0.00 C ATOM 944 C GLN A 59 23.420 20.486 37.021 1.00 0.00 C ATOM 945 O GLN A 59 22.859 21.118 37.922 1.00 0.00 O ATOM 946 CB GLN A 59 22.201 19.539 35.022 1.00 0.00 C ATOM 947 CG GLN A 59 20.764 19.467 35.563 1.00 0.00 C ATOM 948 CD GLN A 59 19.964 18.383 34.842 1.00 0.00 C ATOM 949 OE1 GLN A 59 20.435 17.271 34.616 1.00 0.00 O ATOM 950 NE2 GLN A 59 18.745 18.661 34.446 1.00 0.00 N ATOM 0 H GLN A 59 24.313 20.055 34.035 1.00 0.00 H new ATOM 0 HA GLN A 59 22.479 21.645 35.514 1.00 0.00 H new ATOM 0 HB2 GLN A 59 22.160 19.603 33.935 1.00 0.00 H new ATOM 0 HB3 GLN A 59 22.711 18.608 35.268 1.00 0.00 H new ATOM 0 HG2 GLN A 59 20.784 19.259 36.633 1.00 0.00 H new ATOM 0 HG3 GLN A 59 20.274 20.432 35.435 1.00 0.00 H new ATOM 0 HE21 GLN A 59 18.347 19.582 34.630 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.195 17.956 33.954 1.00 0.00 H new ATOM 959 N GLU A 60 24.392 19.599 37.241 1.00 0.00 N ATOM 960 CA GLU A 60 24.884 19.194 38.554 1.00 0.00 C ATOM 961 C GLU A 60 26.357 18.748 38.510 1.00 0.00 C ATOM 962 O GLU A 60 27.156 19.285 39.272 1.00 0.00 O ATOM 963 CB GLU A 60 23.977 18.062 39.062 1.00 0.00 C ATOM 964 CG GLU A 60 24.407 17.501 40.420 1.00 0.00 C ATOM 965 CD GLU A 60 23.479 16.360 40.824 1.00 0.00 C ATOM 966 OE1 GLU A 60 22.356 16.638 41.306 1.00 0.00 O ATOM 967 OE2 GLU A 60 23.862 15.176 40.686 1.00 0.00 O ATOM 0 H GLU A 60 24.875 19.126 36.478 1.00 0.00 H new ATOM 0 HA GLU A 60 24.851 20.045 39.234 1.00 0.00 H new ATOM 0 HB2 GLU A 60 22.954 18.432 39.137 1.00 0.00 H new ATOM 0 HB3 GLU A 60 23.971 17.255 38.329 1.00 0.00 H new ATOM 0 HG2 GLU A 60 25.436 17.144 40.367 1.00 0.00 H new ATOM 0 HG3 GLU A 60 24.381 18.288 41.174 1.00 0.00 H new ATOM 974 N MET A 61 26.718 17.781 37.653 1.00 0.00 N ATOM 975 CA MET A 61 28.065 17.186 37.532 1.00 0.00 C ATOM 976 C MET A 61 28.818 17.021 38.879 1.00 0.00 C ATOM 977 O MET A 61 29.934 17.530 39.034 1.00 0.00 O ATOM 978 CB MET A 61 28.929 17.943 36.510 1.00 0.00 C ATOM 979 CG MET A 61 28.281 18.254 35.164 1.00 0.00 C ATOM 980 SD MET A 61 29.451 18.845 33.904 1.00 0.00 S ATOM 981 CE MET A 61 30.127 20.335 34.681 1.00 0.00 C ATOM 0 H MET A 61 26.054 17.372 36.996 1.00 0.00 H new ATOM 0 HA MET A 61 27.891 16.174 37.166 1.00 0.00 H new ATOM 0 HB2 MET A 61 29.245 18.884 36.961 1.00 0.00 H new ATOM 0 HB3 MET A 61 29.831 17.359 36.327 1.00 0.00 H new ATOM 0 HG2 MET A 61 27.786 17.356 34.794 1.00 0.00 H new ATOM 0 HG3 MET A 61 27.507 19.008 35.310 1.00 0.00 H new ATOM 0 HE1 MET A 61 30.919 20.745 34.054 1.00 0.00 H new ATOM 0 HE2 MET A 61 29.336 21.076 34.796 1.00 0.00 H new ATOM 0 HE3 MET A 61 30.533 20.082 35.660 1.00 0.00 H new ATOM 991 N ASN A 62 28.189 16.373 39.872 1.00 0.00 N ATOM 992 CA ASN A 62 28.615 16.374 41.281 1.00 0.00 C ATOM 993 C ASN A 62 30.065 15.881 41.460 1.00 0.00 C ATOM 994 O ASN A 62 30.330 14.680 41.420 1.00 0.00 O ATOM 995 CB ASN A 62 27.599 15.543 42.095 1.00 0.00 C ATOM 996 CG ASN A 62 27.829 15.553 43.601 1.00 0.00 C ATOM 997 OD1 ASN A 62 28.882 15.912 44.115 1.00 0.00 O ATOM 998 ND2 ASN A 62 26.841 15.157 44.364 1.00 0.00 N ATOM 0 H ASN A 62 27.347 15.819 39.713 1.00 0.00 H new ATOM 0 HA ASN A 62 28.623 17.398 41.656 1.00 0.00 H new ATOM 0 HB2 ASN A 62 26.597 15.920 41.892 1.00 0.00 H new ATOM 0 HB3 ASN A 62 27.629 14.512 41.743 1.00 0.00 H new ATOM 0 HD21 ASN A 62 26.951 15.149 45.378 1.00 0.00 H new ATOM 0 HD22 ASN A 62 25.961 14.857 43.944 1.00 0.00 H new ATOM 1005 N PHE A 63 31.000 16.812 41.657 1.00 0.00 N ATOM 1006 CA PHE A 63 32.445 16.537 41.738 1.00 0.00 C ATOM 1007 C PHE A 63 33.224 17.693 42.386 1.00 0.00 C ATOM 1008 O PHE A 63 34.192 17.472 43.113 1.00 0.00 O ATOM 1009 CB PHE A 63 32.975 16.301 40.311 1.00 0.00 C ATOM 1010 CG PHE A 63 34.400 15.786 40.242 1.00 0.00 C ATOM 1011 CD1 PHE A 63 35.490 16.677 40.293 1.00 0.00 C ATOM 1012 CD2 PHE A 63 34.639 14.406 40.118 1.00 0.00 C ATOM 1013 CE1 PHE A 63 36.808 16.193 40.220 1.00 0.00 C ATOM 1014 CE2 PHE A 63 35.956 13.922 40.042 1.00 0.00 C ATOM 1015 CZ PHE A 63 37.042 14.814 40.090 1.00 0.00 C ATOM 0 H PHE A 63 30.774 17.801 41.768 1.00 0.00 H new ATOM 0 HA PHE A 63 32.591 15.657 42.365 1.00 0.00 H new ATOM 0 HB2 PHE A 63 32.321 15.589 39.808 1.00 0.00 H new ATOM 0 HB3 PHE A 63 32.914 17.237 39.756 1.00 0.00 H new ATOM 0 HD1 PHE A 63 35.312 17.738 40.389 1.00 0.00 H new ATOM 0 HD2 PHE A 63 33.809 13.716 40.081 1.00 0.00 H new ATOM 0 HE1 PHE A 63 37.640 16.881 40.264 1.00 0.00 H new ATOM 0 HE2 PHE A 63 36.135 12.861 39.946 1.00 0.00 H new ATOM 0 HZ PHE A 63 38.053 14.440 40.027 1.00 0.00 H new ATOM 1025 N GLY A 64 32.796 18.931 42.139 1.00 0.00 N ATOM 1026 CA GLY A 64 33.385 20.159 42.672 1.00 0.00 C ATOM 1027 C GLY A 64 32.613 21.399 42.214 1.00 0.00 C ATOM 1028 O GLY A 64 31.800 21.324 41.292 1.00 0.00 O ATOM 0 H GLY A 64 31.994 19.113 41.535 1.00 0.00 H new ATOM 0 HA2 GLY A 64 33.393 20.116 43.761 1.00 0.00 H new ATOM 0 HA3 GLY A 64 34.423 20.236 42.348 1.00 0.00 H new ATOM 1032 N LYS A 65 32.874 22.556 42.827 1.00 0.00 N ATOM 1033 CA LYS A 65 32.293 23.868 42.478 1.00 0.00 C ATOM 1034 C LYS A 65 33.039 24.570 41.324 1.00 0.00 C ATOM 1035 O LYS A 65 32.906 25.779 41.137 1.00 0.00 O ATOM 1036 CB LYS A 65 32.132 24.737 43.748 1.00 0.00 C ATOM 1037 CG LYS A 65 30.910 24.368 44.617 1.00 0.00 C ATOM 1038 CD LYS A 65 31.005 23.065 45.427 1.00 0.00 C ATOM 1039 CE LYS A 65 32.031 23.158 46.557 1.00 0.00 C ATOM 1040 NZ LYS A 65 32.121 21.878 47.291 1.00 0.00 N ATOM 0 H LYS A 65 33.521 22.614 43.613 1.00 0.00 H new ATOM 0 HA LYS A 65 31.293 23.702 42.078 1.00 0.00 H new ATOM 0 HB2 LYS A 65 33.034 24.647 44.353 1.00 0.00 H new ATOM 0 HB3 LYS A 65 32.050 25.783 43.451 1.00 0.00 H new ATOM 0 HG2 LYS A 65 30.727 25.188 45.312 1.00 0.00 H new ATOM 0 HG3 LYS A 65 30.038 24.301 43.966 1.00 0.00 H new ATOM 0 HD2 LYS A 65 30.027 22.828 45.846 1.00 0.00 H new ATOM 0 HD3 LYS A 65 31.274 22.245 44.761 1.00 0.00 H new ATOM 0 HE2 LYS A 65 33.007 23.417 46.147 1.00 0.00 H new ATOM 0 HE3 LYS A 65 31.751 23.957 47.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 32.823 21.964 48.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 31.193 21.646 47.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 32.410 21.123 46.637 1.00 0.00 H new ATOM 1054 N LYS A 66 33.790 23.812 40.516 1.00 0.00 N ATOM 1055 CA LYS A 66 34.501 24.264 39.303 1.00 0.00 C ATOM 1056 C LYS A 66 33.551 24.710 38.188 1.00 0.00 C ATOM 1057 O LYS A 66 33.844 25.667 37.476 1.00 0.00 O ATOM 1058 CB LYS A 66 35.409 23.111 38.842 1.00 0.00 C ATOM 1059 CG LYS A 66 36.272 23.419 37.604 1.00 0.00 C ATOM 1060 CD LYS A 66 37.068 22.163 37.228 1.00 0.00 C ATOM 1061 CE LYS A 66 37.905 22.346 35.962 1.00 0.00 C ATOM 1062 NZ LYS A 66 38.459 21.048 35.518 1.00 0.00 N ATOM 0 H LYS A 66 33.928 22.817 40.695 1.00 0.00 H new ATOM 0 HA LYS A 66 35.093 25.148 39.542 1.00 0.00 H new ATOM 0 HB2 LYS A 66 36.067 22.835 39.666 1.00 0.00 H new ATOM 0 HB3 LYS A 66 34.787 22.242 38.626 1.00 0.00 H new ATOM 0 HG2 LYS A 66 35.640 23.728 36.771 1.00 0.00 H new ATOM 0 HG3 LYS A 66 36.950 24.246 37.814 1.00 0.00 H new ATOM 0 HD2 LYS A 66 37.724 21.894 38.056 1.00 0.00 H new ATOM 0 HD3 LYS A 66 36.378 21.331 37.084 1.00 0.00 H new ATOM 0 HE2 LYS A 66 37.290 22.776 35.171 1.00 0.00 H new ATOM 0 HE3 LYS A 66 38.716 23.049 36.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 39.025 21.188 34.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 39.062 20.653 36.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 37.680 20.389 35.316 1.00 0.00 H new ATOM 1076 N LEU A 67 32.409 24.032 38.042 1.00 0.00 N ATOM 1077 CA LEU A 67 31.424 24.317 36.995 1.00 0.00 C ATOM 1078 C LEU A 67 30.732 25.676 37.172 1.00 0.00 C ATOM 1079 O LEU A 67 30.452 26.106 38.295 1.00 0.00 O ATOM 1080 CB LEU A 67 30.416 23.155 36.853 1.00 0.00 C ATOM 1081 CG LEU A 67 29.253 23.094 37.866 1.00 0.00 C ATOM 1082 CD1 LEU A 67 28.341 21.922 37.506 1.00 0.00 C ATOM 1083 CD2 LEU A 67 29.724 22.888 39.304 1.00 0.00 C ATOM 0 H LEU A 67 32.140 23.262 38.654 1.00 0.00 H new ATOM 0 HA LEU A 67 31.972 24.395 36.056 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.988 23.201 35.852 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.970 22.219 36.920 1.00 0.00 H new ATOM 0 HG LEU A 67 28.736 24.052 37.811 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.516 21.871 38.217 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.945 22.064 36.500 1.00 0.00 H new ATOM 0 HD13 LEU A 67 28.910 20.993 37.544 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.861 22.854 39.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 30.275 21.950 39.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.374 23.713 39.596 1.00 0.00 H new ATOM 1095 N ILE A 68 30.433 26.325 36.048 1.00 0.00 N ATOM 1096 CA ILE A 68 29.501 27.456 35.906 1.00 0.00 C ATOM 1097 C ILE A 68 29.225 27.669 34.409 1.00 0.00 C ATOM 1098 O ILE A 68 30.054 27.332 33.560 1.00 0.00 O ATOM 1099 CB ILE A 68 30.013 28.745 36.607 1.00 0.00 C ATOM 1100 CG1 ILE A 68 29.040 29.945 36.550 1.00 0.00 C ATOM 1101 CG2 ILE A 68 31.371 29.215 36.072 1.00 0.00 C ATOM 1102 CD1 ILE A 68 27.679 29.688 37.206 1.00 0.00 C ATOM 0 H ILE A 68 30.856 26.065 35.157 1.00 0.00 H new ATOM 0 HA ILE A 68 28.567 27.218 36.415 1.00 0.00 H new ATOM 0 HB ILE A 68 30.104 28.430 37.647 1.00 0.00 H new ATOM 0 HG12 ILE A 68 29.508 30.800 37.037 1.00 0.00 H new ATOM 0 HG13 ILE A 68 28.881 30.219 35.507 1.00 0.00 H new ATOM 0 HG21 ILE A 68 31.677 30.119 36.599 1.00 0.00 H new ATOM 0 HG22 ILE A 68 32.114 28.434 36.230 1.00 0.00 H new ATOM 0 HG23 ILE A 68 31.288 29.427 35.006 1.00 0.00 H new ATOM 0 HD11 ILE A 68 27.060 30.581 37.121 1.00 0.00 H new ATOM 0 HD12 ILE A 68 27.185 28.855 36.706 1.00 0.00 H new ATOM 0 HD13 ILE A 68 27.823 29.445 38.259 1.00 0.00 H new ATOM 1114 N LEU A 69 28.064 28.228 34.079 1.00 0.00 N ATOM 1115 CA LEU A 69 27.665 28.587 32.720 1.00 0.00 C ATOM 1116 C LEU A 69 27.269 30.057 32.601 1.00 0.00 C ATOM 1117 O LEU A 69 26.898 30.699 33.587 1.00 0.00 O ATOM 1118 CB LEU A 69 26.562 27.635 32.217 1.00 0.00 C ATOM 1119 CG LEU A 69 25.121 27.707 32.781 1.00 0.00 C ATOM 1120 CD1 LEU A 69 25.034 27.489 34.286 1.00 0.00 C ATOM 1121 CD2 LEU A 69 24.344 28.987 32.446 1.00 0.00 C ATOM 0 H LEU A 69 27.351 28.451 34.773 1.00 0.00 H new ATOM 0 HA LEU A 69 28.532 28.464 32.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.489 27.774 31.138 1.00 0.00 H new ATOM 0 HB3 LEU A 69 26.919 26.619 32.384 1.00 0.00 H new ATOM 0 HG LEU A 69 24.648 26.876 32.258 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.993 27.555 34.604 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.428 26.503 34.534 1.00 0.00 H new ATOM 0 HD13 LEU A 69 25.619 28.253 34.799 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.349 28.935 32.888 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.875 29.850 32.848 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.256 29.086 31.364 1.00 0.00 H new ATOM 1133 N GLU A 70 27.263 30.564 31.372 1.00 0.00 N ATOM 1134 CA GLU A 70 26.562 31.796 31.023 1.00 0.00 C ATOM 1135 C GLU A 70 25.822 31.645 29.684 1.00 0.00 C ATOM 1136 O GLU A 70 26.290 30.988 28.751 1.00 0.00 O ATOM 1137 CB GLU A 70 27.532 32.985 31.081 1.00 0.00 C ATOM 1138 CG GLU A 70 26.903 34.318 30.672 1.00 0.00 C ATOM 1139 CD GLU A 70 27.884 35.472 30.893 1.00 0.00 C ATOM 1140 OE1 GLU A 70 28.389 35.630 32.032 1.00 0.00 O ATOM 1141 OE2 GLU A 70 28.111 36.270 29.954 1.00 0.00 O ATOM 0 H GLU A 70 27.747 30.130 30.586 1.00 0.00 H new ATOM 0 HA GLU A 70 25.783 32.003 31.757 1.00 0.00 H new ATOM 0 HB2 GLU A 70 27.922 33.074 32.095 1.00 0.00 H new ATOM 0 HB3 GLU A 70 28.382 32.780 30.430 1.00 0.00 H new ATOM 0 HG2 GLU A 70 26.609 34.280 29.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.996 34.490 31.251 1.00 0.00 H new ATOM 1148 N VAL A 71 24.643 32.264 29.627 1.00 0.00 N ATOM 1149 CA VAL A 71 23.766 32.390 28.458 1.00 0.00 C ATOM 1150 C VAL A 71 23.669 33.868 28.085 1.00 0.00 C ATOM 1151 O VAL A 71 23.528 34.717 28.966 1.00 0.00 O ATOM 1152 CB VAL A 71 22.382 31.752 28.736 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.769 32.141 30.091 1.00 0.00 C ATOM 1154 CG2 VAL A 71 21.349 32.075 27.646 1.00 0.00 C ATOM 0 H VAL A 71 24.247 32.721 30.448 1.00 0.00 H new ATOM 0 HA VAL A 71 24.182 31.846 27.610 1.00 0.00 H new ATOM 0 HB VAL A 71 22.599 30.684 28.745 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.802 31.652 30.206 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.434 31.825 30.895 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.637 33.222 30.133 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.399 31.602 27.894 1.00 0.00 H new ATOM 0 HG22 VAL A 71 21.212 33.154 27.583 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.703 31.698 26.686 1.00 0.00 H new ATOM 1164 N SER A 72 23.732 34.173 26.792 1.00 0.00 N ATOM 1165 CA SER A 72 23.563 35.523 26.246 1.00 0.00 C ATOM 1166 C SER A 72 22.707 35.451 24.980 1.00 0.00 C ATOM 1167 O SER A 72 23.127 34.879 23.976 1.00 0.00 O ATOM 1168 CB SER A 72 24.929 36.119 25.901 1.00 0.00 C ATOM 1169 OG SER A 72 25.813 36.200 27.003 1.00 0.00 O ATOM 0 H SER A 72 23.907 33.471 26.073 1.00 0.00 H new ATOM 0 HA SER A 72 23.074 36.154 26.988 1.00 0.00 H new ATOM 0 HB2 SER A 72 25.391 35.515 25.120 1.00 0.00 H new ATOM 0 HB3 SER A 72 24.785 37.118 25.489 1.00 0.00 H new ATOM 0 HG SER A 72 26.419 36.961 26.881 1.00 0.00 H new ATOM 1175 N SER A 73 21.503 36.016 25.002 1.00 0.00 N ATOM 1176 CA SER A 73 20.503 35.889 23.927 1.00 0.00 C ATOM 1177 C SER A 73 20.763 36.768 22.683 1.00 0.00 C ATOM 1178 O SER A 73 19.832 37.131 21.962 1.00 0.00 O ATOM 1179 CB SER A 73 19.094 36.111 24.489 1.00 0.00 C ATOM 1180 OG SER A 73 18.840 35.281 25.612 1.00 0.00 O ATOM 0 H SER A 73 21.181 36.589 25.782 1.00 0.00 H new ATOM 0 HA SER A 73 20.595 34.868 23.556 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.977 37.156 24.775 1.00 0.00 H new ATOM 0 HB3 SER A 73 18.356 35.908 23.712 1.00 0.00 H new ATOM 0 HG SER A 73 17.934 35.450 25.945 1.00 0.00 H new ATOM 1186 N SER A 74 22.019 37.138 22.409 1.00 0.00 N ATOM 1187 CA SER A 74 22.456 37.822 21.184 1.00 0.00 C ATOM 1188 C SER A 74 23.967 37.641 20.949 1.00 0.00 C ATOM 1189 O SER A 74 24.654 37.009 21.756 1.00 0.00 O ATOM 1190 CB SER A 74 22.094 39.310 21.240 1.00 0.00 C ATOM 1191 OG SER A 74 21.985 39.809 19.916 1.00 0.00 O ATOM 0 H SER A 74 22.788 36.964 23.057 1.00 0.00 H new ATOM 0 HA SER A 74 21.932 37.367 20.343 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.154 39.449 21.773 1.00 0.00 H new ATOM 0 HB3 SER A 74 22.856 39.863 21.789 1.00 0.00 H new ATOM 0 HG SER A 74 21.752 40.760 19.943 1.00 0.00 H new ATOM 1197 N ASN A 75 24.497 38.172 19.843 1.00 0.00 N ATOM 1198 CA ASN A 75 25.925 38.149 19.497 1.00 0.00 C ATOM 1199 C ASN A 75 26.338 39.394 18.685 1.00 0.00 C ATOM 1200 O ASN A 75 25.504 39.987 17.997 1.00 0.00 O ATOM 1201 CB ASN A 75 26.235 36.829 18.753 1.00 0.00 C ATOM 1202 CG ASN A 75 27.619 36.787 18.122 1.00 0.00 C ATOM 1203 OD1 ASN A 75 27.774 36.808 16.909 1.00 0.00 O ATOM 1204 ND2 ASN A 75 28.664 36.771 18.909 1.00 0.00 N ATOM 0 H ASN A 75 23.928 38.645 19.141 1.00 0.00 H new ATOM 0 HA ASN A 75 26.520 38.185 20.409 1.00 0.00 H new ATOM 0 HB2 ASN A 75 26.140 35.998 19.452 1.00 0.00 H new ATOM 0 HB3 ASN A 75 25.487 36.678 17.975 1.00 0.00 H new ATOM 0 HD21 ASN A 75 29.603 36.776 18.510 1.00 0.00 H new ATOM 0 HD22 ASN A 75 28.540 36.753 19.921 1.00 0.00 H new ATOM 1211 N ALA A 76 27.635 39.730 18.720 1.00 0.00 N ATOM 1212 CA ALA A 76 28.280 40.810 17.966 1.00 0.00 C ATOM 1213 C ALA A 76 27.753 42.230 18.289 1.00 0.00 C ATOM 1214 O ALA A 76 26.810 42.406 19.068 1.00 0.00 O ATOM 1215 CB ALA A 76 28.275 40.431 16.473 1.00 0.00 C ATOM 0 H ALA A 76 28.298 39.226 19.309 1.00 0.00 H new ATOM 0 HA ALA A 76 29.316 40.897 18.292 1.00 0.00 H new ATOM 0 HB1 ALA A 76 28.751 41.223 15.895 1.00 0.00 H new ATOM 0 HB2 ALA A 76 28.823 39.499 16.332 1.00 0.00 H new ATOM 0 HB3 ALA A 76 27.247 40.302 16.134 1.00 0.00 H new ATOM 1221 N ARG A 77 28.415 43.261 17.747 1.00 0.00 N ATOM 1222 CA ARG A 77 28.098 44.688 17.961 1.00 0.00 C ATOM 1223 C ARG A 77 27.929 45.450 16.657 1.00 0.00 C ATOM 1224 O ARG A 77 28.884 45.526 15.853 1.00 0.00 O ATOM 1225 CB ARG A 77 29.133 45.350 18.884 1.00 0.00 C ATOM 1226 CG ARG A 77 29.068 44.774 20.305 1.00 0.00 C ATOM 1227 CD ARG A 77 30.008 45.529 21.248 1.00 0.00 C ATOM 1228 NE ARG A 77 29.989 44.947 22.596 1.00 0.00 N ATOM 1229 CZ ARG A 77 30.709 43.938 23.036 1.00 0.00 C ATOM 1230 NH1 ARG A 77 31.537 43.279 22.287 1.00 0.00 N ATOM 1231 NH2 ARG A 77 30.631 43.544 24.269 1.00 0.00 N ATOM 0 H ARG A 77 29.213 43.125 17.126 1.00 0.00 H new ATOM 0 HA ARG A 77 27.131 44.730 18.462 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.133 45.203 18.476 1.00 0.00 H new ATOM 0 HB3 ARG A 77 28.957 46.425 18.918 1.00 0.00 H new ATOM 0 HG2 ARG A 77 28.046 44.835 20.679 1.00 0.00 H new ATOM 0 HG3 ARG A 77 29.338 43.718 20.286 1.00 0.00 H new ATOM 0 HD2 ARG A 77 31.023 45.502 20.852 1.00 0.00 H new ATOM 0 HD3 ARG A 77 29.713 46.577 21.297 1.00 0.00 H new ATOM 0 HE ARG A 77 29.347 45.372 23.265 1.00 0.00 H new ATOM 0 HH11 ARG A 77 31.653 43.536 21.307 1.00 0.00 H new ATOM 0 HH12 ARG A 77 32.072 42.504 22.678 1.00 0.00 H new ATOM 0 HH21 ARG A 77 30.003 44.019 24.917 1.00 0.00 H new ATOM 0 HH22 ARG A 77 31.198 42.759 24.590 1.00 0.00 H new TER 1245 ARG A 77