USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 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= 0.51 K(o=1.2,f=-6.3!) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.7 K(o=1.2,f=-0.12) USER MOD Set 1.3: A 49 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 32 GLN : amide:sc= 0.816 K(o=2.8,f=1.2) USER MOD Set 2.2: A 34 ASN : amide:sc= 0.535 K(o=2.8,f=-1.3!) USER MOD Set 2.3: A 43 GLN : amide:sc= 1.42 K(o=2.8,f=-4.1) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -37:sc= 1.22 USER MOD Single : A 9 ASN : amide:sc= -0.462 K(o=-0.46,f=-3.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -68:sc= 1.26 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 49:sc= 1.34 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.018) USER MOD Single : A 31 MET CE :methyl -171:sc= -0.19 (180deg=-0.467) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00151) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 56 CYS SG : rot 85:sc= 0.458 USER MOD Single : A 58 SER OG : rot -92:sc= 1.28 USER MOD Single : A 59 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.35) 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 19.416 41.944 34.245 1.00 0.00 N ATOM 2 CA PRO A 1 20.363 42.591 33.311 1.00 0.00 C ATOM 3 C PRO A 1 20.966 41.608 32.293 1.00 0.00 C ATOM 4 O PRO A 1 21.221 40.450 32.622 1.00 0.00 O ATOM 5 CB PRO A 1 21.434 43.240 34.193 1.00 0.00 C ATOM 6 CG PRO A 1 21.402 42.437 35.500 1.00 0.00 C ATOM 7 CD PRO A 1 20.271 41.426 35.325 1.00 0.00 C ATOM 0 H2 PRO A 1 18.896 41.194 33.789 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.729 42.610 34.600 1.00 0.00 H new ATOM 0 HA PRO A 1 19.852 43.330 32.693 1.00 0.00 H new ATOM 0 HB2 PRO A 1 22.416 43.192 33.723 1.00 0.00 H new ATOM 0 HB3 PRO A 1 21.216 44.293 34.370 1.00 0.00 H new ATOM 0 HG2 PRO A 1 22.354 41.936 35.677 1.00 0.00 H new ATOM 0 HG3 PRO A 1 21.220 43.087 36.356 1.00 0.00 H new ATOM 0 HD2 PRO A 1 20.665 40.442 35.071 1.00 0.00 H new ATOM 0 HD3 PRO A 1 19.704 41.313 36.249 1.00 0.00 H new ATOM 17 N LYS A 2 21.213 42.084 31.067 1.00 0.00 N ATOM 18 CA LYS A 2 21.672 41.303 29.903 1.00 0.00 C ATOM 19 C LYS A 2 23.199 41.236 29.825 1.00 0.00 C ATOM 20 O LYS A 2 23.896 42.118 30.331 1.00 0.00 O ATOM 21 CB LYS A 2 21.124 41.918 28.601 1.00 0.00 C ATOM 22 CG LYS A 2 19.587 42.016 28.522 1.00 0.00 C ATOM 23 CD LYS A 2 19.071 43.441 28.303 1.00 0.00 C ATOM 24 CE LYS A 2 19.432 44.332 29.494 1.00 0.00 C ATOM 25 NZ LYS A 2 18.746 45.633 29.428 1.00 0.00 N ATOM 0 H LYS A 2 21.094 43.072 30.845 1.00 0.00 H new ATOM 0 HA LYS A 2 21.293 40.289 30.026 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.543 42.917 28.485 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.479 41.324 27.759 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.233 41.382 27.709 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.159 41.622 29.444 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.501 43.853 27.390 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.990 43.425 28.168 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.164 43.826 30.422 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.510 44.490 29.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.015 46.209 30.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.021 46.127 28.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.717 45.483 29.432 1.00 0.00 H new ATOM 39 N SER A 3 23.732 40.214 29.165 1.00 0.00 N ATOM 40 CA SER A 3 25.163 40.085 28.867 1.00 0.00 C ATOM 41 C SER A 3 25.407 39.130 27.702 1.00 0.00 C ATOM 42 O SER A 3 24.521 38.361 27.323 1.00 0.00 O ATOM 43 CB SER A 3 25.910 39.594 30.112 1.00 0.00 C ATOM 44 OG SER A 3 25.639 38.239 30.409 1.00 0.00 O ATOM 0 H SER A 3 23.176 39.435 28.813 1.00 0.00 H new ATOM 0 HA SER A 3 25.538 41.067 28.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.982 39.722 29.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.632 40.212 30.966 1.00 0.00 H new ATOM 0 HG SER A 3 24.701 38.041 30.208 1.00 0.00 H new ATOM 50 N ARG A 4 26.628 39.130 27.163 1.00 0.00 N ATOM 51 CA ARG A 4 27.089 38.118 26.211 1.00 0.00 C ATOM 52 C ARG A 4 28.437 37.520 26.590 1.00 0.00 C ATOM 53 O ARG A 4 29.170 38.066 27.411 1.00 0.00 O ATOM 54 CB ARG A 4 27.046 38.660 24.778 1.00 0.00 C ATOM 55 CG ARG A 4 28.202 39.601 24.414 1.00 0.00 C ATOM 56 CD ARG A 4 28.028 39.951 22.942 1.00 0.00 C ATOM 57 NE ARG A 4 29.183 40.628 22.333 1.00 0.00 N ATOM 58 CZ ARG A 4 29.123 41.270 21.183 1.00 0.00 C ATOM 59 NH1 ARG A 4 28.005 41.436 20.537 1.00 0.00 N ATOM 60 NH2 ARG A 4 30.208 41.722 20.646 1.00 0.00 N ATOM 0 H ARG A 4 27.330 39.838 27.377 1.00 0.00 H new ATOM 0 HA ARG A 4 26.393 37.281 26.257 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.049 37.818 24.085 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.105 39.190 24.632 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.180 40.499 25.031 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.164 39.119 24.587 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.825 39.036 22.386 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.151 40.590 22.835 1.00 0.00 H new ATOM 0 HE ARG A 4 30.076 40.599 22.825 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.135 41.063 20.918 1.00 0.00 H new ATOM 0 HH12 ARG A 4 27.999 41.939 19.649 1.00 0.00 H new ATOM 0 HH21 ARG A 4 31.105 41.581 21.112 1.00 0.00 H new ATOM 0 HH22 ARG A 4 30.168 42.219 19.756 1.00 0.00 H new ATOM 74 N LEU A 5 28.742 36.402 25.948 1.00 0.00 N ATOM 75 CA LEU A 5 29.920 35.571 26.137 1.00 0.00 C ATOM 76 C LEU A 5 30.603 35.355 24.785 1.00 0.00 C ATOM 77 O LEU A 5 29.959 34.892 23.842 1.00 0.00 O ATOM 78 CB LEU A 5 29.439 34.259 26.775 1.00 0.00 C ATOM 79 CG LEU A 5 30.488 33.211 27.172 1.00 0.00 C ATOM 80 CD1 LEU A 5 31.039 32.383 26.015 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.650 33.810 27.962 1.00 0.00 C ATOM 0 H LEU A 5 28.126 36.025 25.228 1.00 0.00 H new ATOM 0 HA LEU A 5 30.659 36.034 26.791 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.870 34.514 27.669 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.745 33.787 26.080 1.00 0.00 H new ATOM 0 HG LEU A 5 29.927 32.530 27.812 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.772 31.671 26.394 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.224 31.843 25.534 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.515 33.043 25.290 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.361 33.024 28.216 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.148 34.568 27.358 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.271 34.266 28.877 1.00 0.00 H new ATOM 93 N PHE A 6 31.894 35.668 24.712 1.00 0.00 N ATOM 94 CA PHE A 6 32.769 35.418 23.566 1.00 0.00 C ATOM 95 C PHE A 6 33.748 34.263 23.845 1.00 0.00 C ATOM 96 O PHE A 6 34.271 34.122 24.955 1.00 0.00 O ATOM 97 CB PHE A 6 33.512 36.712 23.198 1.00 0.00 C ATOM 98 CG PHE A 6 34.630 36.496 22.196 1.00 0.00 C ATOM 99 CD1 PHE A 6 34.338 36.012 20.907 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.970 36.686 22.581 1.00 0.00 C ATOM 101 CE1 PHE A 6 35.376 35.729 20.004 1.00 0.00 C ATOM 102 CE2 PHE A 6 37.006 36.390 21.679 1.00 0.00 C ATOM 103 CZ PHE A 6 36.713 35.908 20.394 1.00 0.00 C ATOM 0 H PHE A 6 32.382 36.123 25.483 1.00 0.00 H new ATOM 0 HA PHE A 6 32.158 35.110 22.717 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.800 37.428 22.789 1.00 0.00 H new ATOM 0 HB3 PHE A 6 33.925 37.156 24.104 1.00 0.00 H new ATOM 0 HD1 PHE A 6 33.311 35.857 20.611 1.00 0.00 H new ATOM 0 HD2 PHE A 6 36.202 37.059 23.568 1.00 0.00 H new ATOM 0 HE1 PHE A 6 35.146 35.374 19.010 1.00 0.00 H new ATOM 0 HE2 PHE A 6 38.034 36.534 21.977 1.00 0.00 H new ATOM 0 HZ PHE A 6 37.513 35.675 19.707 1.00 0.00 H new ATOM 113 N ILE A 7 34.021 33.458 22.813 1.00 0.00 N ATOM 114 CA ILE A 7 34.921 32.301 22.846 1.00 0.00 C ATOM 115 C ILE A 7 36.301 32.659 22.260 1.00 0.00 C ATOM 116 O ILE A 7 36.494 32.673 21.045 1.00 0.00 O ATOM 117 CB ILE A 7 34.254 31.116 22.108 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.884 30.701 22.696 1.00 0.00 C ATOM 119 CG2 ILE A 7 35.196 29.908 22.084 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.921 30.193 24.139 1.00 0.00 C ATOM 0 H ILE A 7 33.603 33.601 21.894 1.00 0.00 H new ATOM 0 HA ILE A 7 35.097 32.001 23.879 1.00 0.00 H new ATOM 0 HB ILE A 7 34.060 31.466 21.094 1.00 0.00 H new ATOM 0 HG12 ILE A 7 32.211 31.557 22.646 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.456 29.922 22.064 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.714 29.081 21.562 1.00 0.00 H new ATOM 0 HG22 ILE A 7 36.118 30.176 21.567 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.427 29.606 23.106 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.913 29.928 24.457 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.563 29.314 24.199 1.00 0.00 H new ATOM 0 HD13 ILE A 7 33.314 30.974 24.790 1.00 0.00 H new ATOM 132 N GLY A 8 37.285 32.890 23.137 1.00 0.00 N ATOM 133 CA GLY A 8 38.684 33.178 22.781 1.00 0.00 C ATOM 134 C GLY A 8 39.607 31.949 22.736 1.00 0.00 C ATOM 135 O GLY A 8 40.823 32.094 22.583 1.00 0.00 O ATOM 0 H GLY A 8 37.128 32.882 24.145 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.703 33.664 21.806 1.00 0.00 H new ATOM 0 HA3 GLY A 8 39.087 33.891 23.500 1.00 0.00 H new ATOM 139 N ASN A 9 39.066 30.731 22.863 1.00 0.00 N ATOM 140 CA ASN A 9 39.817 29.460 22.892 1.00 0.00 C ATOM 141 C ASN A 9 40.373 28.988 21.528 1.00 0.00 C ATOM 142 O ASN A 9 40.711 27.816 21.364 1.00 0.00 O ATOM 143 CB ASN A 9 38.956 28.383 23.592 1.00 0.00 C ATOM 144 CG ASN A 9 37.795 27.854 22.755 1.00 0.00 C ATOM 145 OD1 ASN A 9 37.673 28.088 21.562 1.00 0.00 O ATOM 146 ND2 ASN A 9 36.882 27.138 23.361 1.00 0.00 N ATOM 0 H ASN A 9 38.059 30.594 22.952 1.00 0.00 H new ATOM 0 HA ASN A 9 40.724 29.641 23.469 1.00 0.00 H new ATOM 0 HB2 ASN A 9 39.598 27.547 23.868 1.00 0.00 H new ATOM 0 HB3 ASN A 9 38.559 28.799 24.518 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.082 26.783 22.838 1.00 0.00 H new ATOM 0 HD22 ASN A 9 36.971 26.935 24.357 1.00 0.00 H new ATOM 153 N LEU A 10 40.400 29.899 20.554 1.00 0.00 N ATOM 154 CA LEU A 10 40.553 29.661 19.123 1.00 0.00 C ATOM 155 C LEU A 10 39.609 28.551 18.598 1.00 0.00 C ATOM 156 O LEU A 10 40.039 27.406 18.420 1.00 0.00 O ATOM 157 CB LEU A 10 42.041 29.506 18.749 1.00 0.00 C ATOM 158 CG LEU A 10 42.398 30.027 17.341 1.00 0.00 C ATOM 159 CD1 LEU A 10 41.646 29.322 16.217 1.00 0.00 C ATOM 160 CD2 LEU A 10 42.145 31.531 17.195 1.00 0.00 C ATOM 0 H LEU A 10 40.309 30.893 20.763 1.00 0.00 H new ATOM 0 HA LEU A 10 40.214 30.545 18.583 1.00 0.00 H new ATOM 0 HB2 LEU A 10 42.646 30.037 19.484 1.00 0.00 H new ATOM 0 HB3 LEU A 10 42.312 28.452 18.814 1.00 0.00 H new ATOM 0 HG LEU A 10 43.462 29.810 17.245 1.00 0.00 H new ATOM 0 HD11 LEU A 10 41.949 29.741 15.258 1.00 0.00 H new ATOM 0 HD12 LEU A 10 41.877 28.257 16.237 1.00 0.00 H new ATOM 0 HD13 LEU A 10 40.574 29.463 16.352 1.00 0.00 H new ATOM 0 HD21 LEU A 10 42.412 31.849 16.187 1.00 0.00 H new ATOM 0 HD22 LEU A 10 41.091 31.742 17.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 42.752 32.074 17.919 1.00 0.00 H new ATOM 172 N PRO A 11 38.329 28.897 18.337 1.00 0.00 N ATOM 173 CA PRO A 11 37.332 27.985 17.785 1.00 0.00 C ATOM 174 C PRO A 11 37.592 27.682 16.298 1.00 0.00 C ATOM 175 O PRO A 11 38.558 26.990 15.988 1.00 0.00 O ATOM 176 CB PRO A 11 35.971 28.600 18.143 1.00 0.00 C ATOM 177 CG PRO A 11 36.262 30.098 18.165 1.00 0.00 C ATOM 178 CD PRO A 11 37.697 30.171 18.678 1.00 0.00 C ATOM 0 HA PRO A 11 37.373 26.984 18.213 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.209 28.348 17.406 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.610 28.245 19.108 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.167 30.541 17.173 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.573 30.632 18.820 1.00 0.00 H new ATOM 0 HD2 PRO A 11 38.231 31.003 18.219 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.715 30.336 19.755 1.00 0.00 H new ATOM 186 N LEU A 12 36.740 28.116 15.360 1.00 0.00 N ATOM 187 CA LEU A 12 36.768 27.694 13.947 1.00 0.00 C ATOM 188 C LEU A 12 36.744 26.150 13.751 1.00 0.00 C ATOM 189 O LEU A 12 37.216 25.609 12.743 1.00 0.00 O ATOM 190 CB LEU A 12 37.895 28.406 13.161 1.00 0.00 C ATOM 191 CG LEU A 12 37.804 29.946 13.081 1.00 0.00 C ATOM 192 CD1 LEU A 12 38.397 30.676 14.289 1.00 0.00 C ATOM 193 CD2 LEU A 12 38.567 30.452 11.858 1.00 0.00 C ATOM 0 H LEU A 12 35.996 28.784 15.563 1.00 0.00 H new ATOM 0 HA LEU A 12 35.828 28.027 13.508 1.00 0.00 H new ATOM 0 HB2 LEU A 12 38.849 28.143 13.617 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.907 28.010 12.145 1.00 0.00 H new ATOM 0 HG LEU A 12 36.736 30.159 13.035 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.292 31.752 14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 12 37.869 30.372 15.193 1.00 0.00 H new ATOM 0 HD13 LEU A 12 39.453 30.424 14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 12 38.497 31.539 11.810 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.614 30.159 11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 12 38.135 30.020 10.955 1.00 0.00 H new ATOM 205 N LYS A 13 36.238 25.422 14.756 1.00 0.00 N ATOM 206 CA LYS A 13 36.239 23.955 14.885 1.00 0.00 C ATOM 207 C LYS A 13 35.034 23.490 15.697 1.00 0.00 C ATOM 208 O LYS A 13 34.590 24.214 16.590 1.00 0.00 O ATOM 209 CB LYS A 13 37.548 23.481 15.551 1.00 0.00 C ATOM 210 CG LYS A 13 37.674 23.851 17.044 1.00 0.00 C ATOM 211 CD LYS A 13 39.063 23.487 17.581 1.00 0.00 C ATOM 212 CE LYS A 13 39.299 23.949 19.024 1.00 0.00 C ATOM 213 NZ LYS A 13 38.377 23.314 19.993 1.00 0.00 N ATOM 0 H LYS A 13 35.787 25.870 15.554 1.00 0.00 H new ATOM 0 HA LYS A 13 36.173 23.518 13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.621 22.398 15.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.392 23.909 15.011 1.00 0.00 H new ATOM 0 HG2 LYS A 13 37.497 24.919 17.175 1.00 0.00 H new ATOM 0 HG3 LYS A 13 36.909 23.329 17.618 1.00 0.00 H new ATOM 0 HD2 LYS A 13 39.193 22.406 17.528 1.00 0.00 H new ATOM 0 HD3 LYS A 13 39.821 23.931 16.937 1.00 0.00 H new ATOM 0 HE2 LYS A 13 40.327 23.724 19.308 1.00 0.00 H new ATOM 0 HE3 LYS A 13 39.183 25.032 19.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 38.584 23.665 20.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 37.395 23.549 19.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 38.503 22.282 19.967 1.00 0.00 H new ATOM 227 N ASN A 14 34.538 22.285 15.418 1.00 0.00 N ATOM 228 CA ASN A 14 33.443 21.628 16.146 1.00 0.00 C ATOM 229 C ASN A 14 32.246 22.568 16.426 1.00 0.00 C ATOM 230 O ASN A 14 31.671 22.569 17.518 1.00 0.00 O ATOM 231 CB ASN A 14 34.026 20.939 17.392 1.00 0.00 C ATOM 232 CG ASN A 14 34.986 19.824 17.036 1.00 0.00 C ATOM 233 OD1 ASN A 14 36.200 19.977 17.055 1.00 0.00 O ATOM 234 ND2 ASN A 14 34.481 18.670 16.675 1.00 0.00 N ATOM 0 H ASN A 14 34.898 21.716 14.652 1.00 0.00 H new ATOM 0 HA ASN A 14 32.998 20.857 15.517 1.00 0.00 H new ATOM 0 HB2 ASN A 14 34.542 21.678 18.005 1.00 0.00 H new ATOM 0 HB3 ASN A 14 33.213 20.536 17.996 1.00 0.00 H new ATOM 0 HD21 ASN A 14 35.099 17.903 16.411 1.00 0.00 H new ATOM 0 HD22 ASN A 14 33.470 18.539 16.658 1.00 0.00 H new ATOM 241 N VAL A 15 31.915 23.409 15.440 1.00 0.00 N ATOM 242 CA VAL A 15 31.172 24.673 15.599 1.00 0.00 C ATOM 243 C VAL A 15 29.646 24.502 15.513 1.00 0.00 C ATOM 244 O VAL A 15 28.917 25.356 15.006 1.00 0.00 O ATOM 245 CB VAL A 15 31.795 25.755 14.686 1.00 0.00 C ATOM 246 CG1 VAL A 15 31.462 25.569 13.200 1.00 0.00 C ATOM 247 CG2 VAL A 15 31.464 27.182 15.131 1.00 0.00 C ATOM 0 H VAL A 15 32.166 23.224 14.469 1.00 0.00 H new ATOM 0 HA VAL A 15 31.288 25.037 16.620 1.00 0.00 H new ATOM 0 HB VAL A 15 32.870 25.612 14.799 1.00 0.00 H new ATOM 0 HG11 VAL A 15 31.932 26.363 12.620 1.00 0.00 H new ATOM 0 HG12 VAL A 15 31.836 24.603 12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.382 25.609 13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 15 31.931 27.893 14.449 1.00 0.00 H new ATOM 0 HG22 VAL A 15 30.383 27.325 15.121 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.842 27.345 16.140 1.00 0.00 H new ATOM 257 N SER A 16 29.144 23.374 16.015 1.00 0.00 N ATOM 258 CA SER A 16 27.717 23.115 16.234 1.00 0.00 C ATOM 259 C SER A 16 27.295 23.546 17.646 1.00 0.00 C ATOM 260 O SER A 16 28.099 23.491 18.580 1.00 0.00 O ATOM 261 CB SER A 16 27.416 21.645 15.956 1.00 0.00 C ATOM 262 OG SER A 16 26.029 21.396 16.020 1.00 0.00 O ATOM 0 H SER A 16 29.736 22.590 16.290 1.00 0.00 H new ATOM 0 HA SER A 16 27.126 23.712 15.540 1.00 0.00 H new ATOM 0 HB2 SER A 16 27.794 21.372 14.971 1.00 0.00 H new ATOM 0 HB3 SER A 16 27.936 21.019 16.681 1.00 0.00 H new ATOM 0 HG SER A 16 25.720 21.503 16.944 1.00 0.00 H new ATOM 268 N LYS A 17 26.046 24.007 17.809 1.00 0.00 N ATOM 269 CA LYS A 17 25.546 24.723 19.009 1.00 0.00 C ATOM 270 C LYS A 17 25.860 24.047 20.349 1.00 0.00 C ATOM 271 O LYS A 17 26.105 24.734 21.338 1.00 0.00 O ATOM 272 CB LYS A 17 24.025 24.917 18.894 1.00 0.00 C ATOM 273 CG LYS A 17 23.624 25.880 17.772 1.00 0.00 C ATOM 274 CD LYS A 17 22.104 26.025 17.709 1.00 0.00 C ATOM 275 CE LYS A 17 21.673 26.734 16.422 1.00 0.00 C ATOM 276 NZ LYS A 17 20.199 26.777 16.318 1.00 0.00 N ATOM 0 H LYS A 17 25.329 23.892 17.093 1.00 0.00 H new ATOM 0 HA LYS A 17 26.080 25.673 19.020 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.554 23.950 18.720 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.640 25.293 19.842 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.082 26.855 17.941 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.000 25.512 16.817 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.639 25.041 17.759 1.00 0.00 H new ATOM 0 HD3 LYS A 17 21.753 26.588 18.574 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.073 27.748 16.408 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.089 26.215 15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.927 27.262 15.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.823 25.807 16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.808 27.292 17.132 1.00 0.00 H new ATOM 290 N GLU A 18 25.916 22.720 20.392 1.00 0.00 N ATOM 291 CA GLU A 18 26.234 21.944 21.593 1.00 0.00 C ATOM 292 C GLU A 18 27.650 22.185 22.159 1.00 0.00 C ATOM 293 O GLU A 18 27.937 21.783 23.288 1.00 0.00 O ATOM 294 CB GLU A 18 25.982 20.451 21.345 1.00 0.00 C ATOM 295 CG GLU A 18 26.937 19.772 20.349 1.00 0.00 C ATOM 296 CD GLU A 18 26.483 19.835 18.886 1.00 0.00 C ATOM 297 OE1 GLU A 18 25.673 20.711 18.499 1.00 0.00 O ATOM 298 OE2 GLU A 18 26.968 18.992 18.096 1.00 0.00 O ATOM 0 H GLU A 18 25.738 22.137 19.574 1.00 0.00 H new ATOM 0 HA GLU A 18 25.559 22.306 22.368 1.00 0.00 H new ATOM 0 HB2 GLU A 18 26.047 19.927 22.298 1.00 0.00 H new ATOM 0 HB3 GLU A 18 24.961 20.328 20.983 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.919 20.238 20.432 1.00 0.00 H new ATOM 0 HG3 GLU A 18 27.056 18.727 20.634 1.00 0.00 H new ATOM 305 N ASP A 19 28.544 22.841 21.415 1.00 0.00 N ATOM 306 CA ASP A 19 29.830 23.336 21.920 1.00 0.00 C ATOM 307 C ASP A 19 29.650 24.510 22.888 1.00 0.00 C ATOM 308 O ASP A 19 30.229 24.524 23.970 1.00 0.00 O ATOM 309 CB ASP A 19 30.699 23.741 20.722 1.00 0.00 C ATOM 310 CG ASP A 19 32.141 24.064 21.112 1.00 0.00 C ATOM 311 OD1 ASP A 19 32.786 23.240 21.804 1.00 0.00 O ATOM 312 OD2 ASP A 19 32.659 25.110 20.665 1.00 0.00 O ATOM 0 H ASP A 19 28.393 23.047 20.428 1.00 0.00 H new ATOM 0 HA ASP A 19 30.319 22.543 22.485 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.699 22.933 19.990 1.00 0.00 H new ATOM 0 HB3 ASP A 19 30.256 24.611 20.237 1.00 0.00 H new ATOM 317 N LEU A 20 28.775 25.457 22.551 1.00 0.00 N ATOM 318 CA LEU A 20 28.424 26.563 23.443 1.00 0.00 C ATOM 319 C LEU A 20 27.524 26.074 24.587 1.00 0.00 C ATOM 320 O LEU A 20 27.718 26.496 25.724 1.00 0.00 O ATOM 321 CB LEU A 20 27.798 27.703 22.613 1.00 0.00 C ATOM 322 CG LEU A 20 28.802 28.743 22.071 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.232 29.734 23.152 1.00 0.00 C ATOM 324 CD2 LEU A 20 30.069 28.130 21.472 1.00 0.00 C ATOM 0 H LEU A 20 28.290 25.480 21.654 1.00 0.00 H new ATOM 0 HA LEU A 20 29.318 26.962 23.922 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.260 27.266 21.771 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.061 28.218 23.229 1.00 0.00 H new ATOM 0 HG LEU A 20 28.255 29.250 21.277 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.938 30.449 22.730 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.357 30.266 23.527 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.707 29.195 23.972 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.723 28.925 21.114 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.588 27.549 22.235 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.800 27.479 20.640 1.00 0.00 H new ATOM 336 N PHE A 21 26.616 25.128 24.312 1.00 0.00 N ATOM 337 CA PHE A 21 25.703 24.564 25.316 1.00 0.00 C ATOM 338 C PHE A 21 26.458 23.826 26.432 1.00 0.00 C ATOM 339 O PHE A 21 26.161 24.023 27.613 1.00 0.00 O ATOM 340 CB PHE A 21 24.688 23.630 24.636 1.00 0.00 C ATOM 341 CG PHE A 21 23.420 23.378 25.436 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.448 22.589 26.605 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.200 23.937 25.010 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.277 22.399 27.361 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.024 23.720 25.748 1.00 0.00 C ATOM 346 CZ PHE A 21 21.063 22.958 26.928 1.00 0.00 C ATOM 0 H PHE A 21 26.493 24.730 23.381 1.00 0.00 H new ATOM 0 HA PHE A 21 25.171 25.392 25.785 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.414 24.055 23.671 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.172 22.674 24.437 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.373 22.129 26.921 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.168 24.536 24.112 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.311 21.823 28.274 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.089 24.140 25.408 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.161 22.802 27.501 1.00 0.00 H new ATOM 356 N ARG A 22 27.448 22.984 26.085 1.00 0.00 N ATOM 357 CA ARG A 22 28.249 22.246 27.082 1.00 0.00 C ATOM 358 C ARG A 22 29.200 23.149 27.862 1.00 0.00 C ATOM 359 O ARG A 22 29.526 22.837 29.009 1.00 0.00 O ATOM 360 CB ARG A 22 28.957 21.042 26.437 1.00 0.00 C ATOM 361 CG ARG A 22 30.189 21.389 25.581 1.00 0.00 C ATOM 362 CD ARG A 22 31.503 21.567 26.354 1.00 0.00 C ATOM 363 NE ARG A 22 31.941 20.300 26.955 1.00 0.00 N ATOM 364 CZ ARG A 22 33.025 19.615 26.661 1.00 0.00 C ATOM 365 NH1 ARG A 22 33.906 20.015 25.794 1.00 0.00 N ATOM 366 NH2 ARG A 22 33.234 18.483 27.254 1.00 0.00 N ATOM 0 H ARG A 22 27.714 22.796 25.118 1.00 0.00 H new ATOM 0 HA ARG A 22 27.558 21.851 27.827 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.264 20.356 27.226 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.239 20.510 25.813 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.328 20.602 24.840 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.982 22.309 25.034 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.276 21.940 25.682 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.370 22.316 27.134 1.00 0.00 H new ATOM 0 HE ARG A 22 31.339 19.909 27.679 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.774 20.900 25.304 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.730 19.444 25.604 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.563 18.134 27.938 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.070 17.940 27.037 1.00 0.00 H new ATOM 380 N ILE A 23 29.638 24.255 27.249 1.00 0.00 N ATOM 381 CA ILE A 23 30.391 25.312 27.925 1.00 0.00 C ATOM 382 C ILE A 23 29.451 25.976 28.936 1.00 0.00 C ATOM 383 O ILE A 23 29.540 25.647 30.119 1.00 0.00 O ATOM 384 CB ILE A 23 31.094 26.252 26.906 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.280 25.491 26.261 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.599 27.559 27.547 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.916 26.204 25.059 1.00 0.00 C ATOM 0 H ILE A 23 29.477 24.441 26.259 1.00 0.00 H new ATOM 0 HA ILE A 23 31.233 24.919 28.495 1.00 0.00 H new ATOM 0 HB ILE A 23 30.358 26.536 26.154 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.047 25.329 27.019 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.934 24.508 25.943 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.081 28.174 26.787 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.757 28.103 27.975 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.317 27.325 28.333 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.737 25.601 24.671 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.167 26.342 24.279 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.297 27.176 25.372 1.00 0.00 H new ATOM 399 N PHE A 24 28.505 26.823 28.510 1.00 0.00 N ATOM 400 CA PHE A 24 27.535 27.472 29.403 1.00 0.00 C ATOM 401 C PHE A 24 26.092 27.176 28.963 1.00 0.00 C ATOM 402 O PHE A 24 25.684 27.492 27.849 1.00 0.00 O ATOM 403 CB PHE A 24 27.726 29.004 29.452 1.00 0.00 C ATOM 404 CG PHE A 24 29.017 29.640 29.946 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.106 28.895 30.430 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.125 31.043 29.908 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.326 29.517 30.719 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.328 31.673 30.268 1.00 0.00 C ATOM 409 CZ PHE A 24 31.445 30.904 30.611 1.00 0.00 C ATOM 0 H PHE A 24 28.390 27.079 27.529 1.00 0.00 H new ATOM 0 HA PHE A 24 27.713 27.060 30.396 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.560 29.374 28.440 1.00 0.00 H new ATOM 0 HB3 PHE A 24 26.922 29.401 30.072 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.000 27.831 30.581 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.278 31.639 29.600 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.175 28.924 31.025 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.390 32.751 30.280 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.397 31.382 30.792 1.00 0.00 H new ATOM 419 N SER A 25 25.267 26.671 29.879 1.00 0.00 N ATOM 420 CA SER A 25 23.798 26.714 29.788 1.00 0.00 C ATOM 421 C SER A 25 23.029 26.579 31.120 1.00 0.00 C ATOM 422 O SER A 25 21.904 27.074 31.152 1.00 0.00 O ATOM 423 CB SER A 25 23.275 25.700 28.756 1.00 0.00 C ATOM 424 OG SER A 25 23.349 26.292 27.470 1.00 0.00 O ATOM 0 H SER A 25 25.602 26.210 30.725 1.00 0.00 H new ATOM 0 HA SER A 25 23.589 27.731 29.455 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.868 24.786 28.788 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.247 25.420 28.986 1.00 0.00 H new ATOM 0 HG SER A 25 24.236 26.688 27.343 1.00 0.00 H new ATOM 430 N PRO A 26 23.563 26.040 32.241 1.00 0.00 N ATOM 431 CA PRO A 26 22.809 25.954 33.497 1.00 0.00 C ATOM 432 C PRO A 26 23.021 27.171 34.415 1.00 0.00 C ATOM 433 O PRO A 26 22.708 27.101 35.605 1.00 0.00 O ATOM 434 CB PRO A 26 23.266 24.637 34.127 1.00 0.00 C ATOM 435 CG PRO A 26 24.745 24.608 33.768 1.00 0.00 C ATOM 436 CD PRO A 26 24.783 25.248 32.382 1.00 0.00 C ATOM 0 HA PRO A 26 21.733 25.967 33.324 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.108 24.625 35.205 1.00 0.00 H new ATOM 0 HB3 PRO A 26 22.730 23.781 33.717 1.00 0.00 H new ATOM 0 HG2 PRO A 26 25.344 25.168 34.486 1.00 0.00 H new ATOM 0 HG3 PRO A 26 25.135 23.590 33.752 1.00 0.00 H new ATOM 0 HD2 PRO A 26 25.666 25.878 32.273 1.00 0.00 H new ATOM 0 HD3 PRO A 26 24.838 24.484 31.606 1.00 0.00 H new ATOM 444 N TYR A 27 23.569 28.274 33.898 1.00 0.00 N ATOM 445 CA TYR A 27 24.038 29.419 34.687 1.00 0.00 C ATOM 446 C TYR A 27 23.107 30.643 34.605 1.00 0.00 C ATOM 447 O TYR A 27 22.393 30.831 33.617 1.00 0.00 O ATOM 448 CB TYR A 27 25.474 29.768 34.261 1.00 0.00 C ATOM 449 CG TYR A 27 26.470 28.624 34.384 1.00 0.00 C ATOM 450 CD1 TYR A 27 26.776 28.099 35.654 1.00 0.00 C ATOM 451 CD2 TYR A 27 27.104 28.099 33.239 1.00 0.00 C ATOM 452 CE1 TYR A 27 27.701 27.045 35.781 1.00 0.00 C ATOM 453 CE2 TYR A 27 28.033 27.044 33.364 1.00 0.00 C ATOM 454 CZ TYR A 27 28.335 26.516 34.638 1.00 0.00 C ATOM 455 OH TYR A 27 29.228 25.495 34.772 1.00 0.00 O ATOM 0 H TYR A 27 23.703 28.400 32.895 1.00 0.00 H new ATOM 0 HA TYR A 27 24.026 29.127 35.737 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.459 30.108 33.226 1.00 0.00 H new ATOM 0 HB3 TYR A 27 25.825 30.604 34.866 1.00 0.00 H new ATOM 0 HD1 TYR A 27 26.300 28.506 36.534 1.00 0.00 H new ATOM 0 HD2 TYR A 27 26.878 28.505 32.264 1.00 0.00 H new ATOM 0 HE1 TYR A 27 27.926 26.641 36.757 1.00 0.00 H new ATOM 0 HE2 TYR A 27 28.513 26.640 32.485 1.00 0.00 H new ATOM 0 HH TYR A 27 29.574 25.245 33.890 1.00 0.00 H new ATOM 465 N GLY A 28 23.141 31.495 35.633 1.00 0.00 N ATOM 466 CA GLY A 28 22.531 32.832 35.632 1.00 0.00 C ATOM 467 C GLY A 28 21.022 32.874 35.386 1.00 0.00 C ATOM 468 O GLY A 28 20.282 31.971 35.786 1.00 0.00 O ATOM 0 H GLY A 28 23.605 31.270 36.513 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.737 33.306 36.592 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.022 33.434 34.867 1.00 0.00 H new ATOM 472 N HIS A 29 20.572 33.937 34.712 1.00 0.00 N ATOM 473 CA HIS A 29 19.164 34.188 34.367 1.00 0.00 C ATOM 474 C HIS A 29 18.854 33.912 32.877 1.00 0.00 C ATOM 475 O HIS A 29 17.691 33.976 32.491 1.00 0.00 O ATOM 476 CB HIS A 29 18.772 35.593 34.875 1.00 0.00 C ATOM 477 CG HIS A 29 17.296 35.924 34.816 1.00 0.00 C ATOM 478 ND1 HIS A 29 16.699 36.941 34.055 1.00 0.00 N ATOM 479 CD2 HIS A 29 16.332 35.308 35.558 1.00 0.00 C ATOM 480 CE1 HIS A 29 15.381 36.872 34.336 1.00 0.00 C ATOM 481 NE2 HIS A 29 15.139 35.914 35.239 1.00 0.00 N ATOM 0 H HIS A 29 21.196 34.672 34.379 1.00 0.00 H new ATOM 0 HA HIS A 29 18.521 33.471 34.878 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.107 35.692 35.908 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.316 36.335 34.291 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.477 34.500 36.260 1.00 0.00 H new ATOM 0 HE1 HIS A 29 14.625 37.503 33.893 1.00 0.00 H new ATOM 0 HE2 HIS A 29 14.226 35.674 35.625 1.00 0.00 H new ATOM 489 N ILE A 30 19.858 33.502 32.081 1.00 0.00 N ATOM 490 CA ILE A 30 19.774 32.913 30.720 1.00 0.00 C ATOM 491 C ILE A 30 19.189 33.821 29.611 1.00 0.00 C ATOM 492 O ILE A 30 18.790 34.943 29.888 1.00 0.00 O ATOM 493 CB ILE A 30 19.166 31.483 30.803 1.00 0.00 C ATOM 494 CG1 ILE A 30 19.945 30.467 29.943 1.00 0.00 C ATOM 495 CG2 ILE A 30 17.673 31.401 30.445 1.00 0.00 C ATOM 496 CD1 ILE A 30 21.300 30.091 30.550 1.00 0.00 C ATOM 0 H ILE A 30 20.827 33.577 32.391 1.00 0.00 H new ATOM 0 HA ILE A 30 20.797 32.821 30.356 1.00 0.00 H new ATOM 0 HB ILE A 30 19.260 31.224 31.858 1.00 0.00 H new ATOM 0 HG12 ILE A 30 19.344 29.566 29.820 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.101 30.884 28.948 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.335 30.368 30.530 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.100 32.028 31.128 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.524 31.749 29.423 1.00 0.00 H new ATOM 0 HD11 ILE A 30 21.803 29.373 29.901 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.916 30.985 30.648 1.00 0.00 H new ATOM 0 HD13 ILE A 30 21.147 29.646 31.533 1.00 0.00 H new ATOM 508 N MET A 31 19.244 33.403 28.335 1.00 0.00 N ATOM 509 CA MET A 31 18.483 33.984 27.199 1.00 0.00 C ATOM 510 C MET A 31 18.639 33.118 25.929 1.00 0.00 C ATOM 511 O MET A 31 17.748 32.329 25.613 1.00 0.00 O ATOM 512 CB MET A 31 18.867 35.456 26.899 1.00 0.00 C ATOM 513 CG MET A 31 17.773 36.480 27.180 1.00 0.00 C ATOM 514 SD MET A 31 18.152 38.152 26.561 1.00 0.00 S ATOM 515 CE MET A 31 19.845 38.405 27.180 1.00 0.00 C ATOM 0 H MET A 31 19.838 32.625 28.049 1.00 0.00 H new ATOM 0 HA MET A 31 17.437 33.987 27.504 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.745 35.714 27.491 1.00 0.00 H new ATOM 0 HB3 MET A 31 19.155 35.534 25.851 1.00 0.00 H new ATOM 0 HG2 MET A 31 16.843 36.137 26.727 1.00 0.00 H new ATOM 0 HG3 MET A 31 17.604 36.531 28.256 1.00 0.00 H new ATOM 0 HE1 MET A 31 20.142 39.441 27.015 1.00 0.00 H new ATOM 0 HE2 MET A 31 19.879 38.184 28.247 1.00 0.00 H new ATOM 0 HE3 MET A 31 20.529 37.742 26.650 1.00 0.00 H new ATOM 525 N GLN A 32 19.762 33.227 25.211 1.00 0.00 N ATOM 526 CA GLN A 32 19.944 32.731 23.841 1.00 0.00 C ATOM 527 C GLN A 32 21.351 32.158 23.606 1.00 0.00 C ATOM 528 O GLN A 32 22.360 32.770 23.964 1.00 0.00 O ATOM 529 CB GLN A 32 19.648 33.895 22.866 1.00 0.00 C ATOM 530 CG GLN A 32 19.883 33.548 21.386 1.00 0.00 C ATOM 531 CD GLN A 32 19.214 34.531 20.430 1.00 0.00 C ATOM 532 OE1 GLN A 32 18.065 34.344 20.037 1.00 0.00 O ATOM 533 NE2 GLN A 32 19.857 35.608 20.041 1.00 0.00 N ATOM 0 H GLN A 32 20.599 33.679 25.580 1.00 0.00 H new ATOM 0 HA GLN A 32 19.254 31.905 23.669 1.00 0.00 H new ATOM 0 HB2 GLN A 32 18.612 34.208 22.995 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.274 34.747 23.133 1.00 0.00 H new ATOM 0 HG2 GLN A 32 20.955 33.530 21.188 1.00 0.00 H new ATOM 0 HG3 GLN A 32 19.506 32.544 21.189 1.00 0.00 H new ATOM 0 HE21 GLN A 32 20.811 35.775 20.360 1.00 0.00 H new ATOM 0 HE22 GLN A 32 19.402 36.277 19.420 1.00 0.00 H new ATOM 542 N ILE A 33 21.420 31.015 22.920 1.00 0.00 N ATOM 543 CA ILE A 33 22.647 30.501 22.301 1.00 0.00 C ATOM 544 C ILE A 33 22.831 31.123 20.907 1.00 0.00 C ATOM 545 O ILE A 33 21.848 31.290 20.181 1.00 0.00 O ATOM 546 CB ILE A 33 22.609 28.957 22.308 1.00 0.00 C ATOM 547 CG1 ILE A 33 24.029 28.371 22.226 1.00 0.00 C ATOM 548 CG2 ILE A 33 21.713 28.364 21.207 1.00 0.00 C ATOM 549 CD1 ILE A 33 24.071 26.911 22.679 1.00 0.00 C ATOM 0 H ILE A 33 20.612 30.409 22.776 1.00 0.00 H new ATOM 0 HA ILE A 33 23.529 30.792 22.872 1.00 0.00 H new ATOM 0 HB ILE A 33 22.160 28.670 23.259 1.00 0.00 H new ATOM 0 HG12 ILE A 33 24.393 28.444 21.201 1.00 0.00 H new ATOM 0 HG13 ILE A 33 24.702 28.963 22.846 1.00 0.00 H new ATOM 0 HG21 ILE A 33 21.732 27.276 21.269 1.00 0.00 H new ATOM 0 HG22 ILE A 33 20.691 28.717 21.340 1.00 0.00 H new ATOM 0 HG23 ILE A 33 22.081 28.678 20.230 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.092 26.536 22.605 1.00 0.00 H new ATOM 0 HD12 ILE A 33 23.733 26.841 23.713 1.00 0.00 H new ATOM 0 HD13 ILE A 33 23.418 26.314 22.042 1.00 0.00 H new ATOM 561 N ASN A 34 24.055 31.498 20.523 1.00 0.00 N ATOM 562 CA ASN A 34 24.308 32.168 19.243 1.00 0.00 C ATOM 563 C ASN A 34 25.641 31.718 18.620 1.00 0.00 C ATOM 564 O ASN A 34 26.655 32.413 18.692 1.00 0.00 O ATOM 565 CB ASN A 34 24.192 33.690 19.453 1.00 0.00 C ATOM 566 CG ASN A 34 24.178 34.452 18.140 1.00 0.00 C ATOM 567 OD1 ASN A 34 24.597 33.980 17.095 1.00 0.00 O ATOM 568 ND2 ASN A 34 23.722 35.679 18.139 1.00 0.00 N ATOM 0 H ASN A 34 24.893 31.347 21.085 1.00 0.00 H new ATOM 0 HA ASN A 34 23.556 31.878 18.509 1.00 0.00 H new ATOM 0 HB2 ASN A 34 23.280 33.910 20.008 1.00 0.00 H new ATOM 0 HB3 ASN A 34 25.027 34.035 20.062 1.00 0.00 H new ATOM 0 HD21 ASN A 34 23.721 36.222 17.276 1.00 0.00 H new ATOM 0 HD22 ASN A 34 23.367 36.092 19.002 1.00 0.00 H new ATOM 575 N ILE A 35 25.654 30.530 18.012 1.00 0.00 N ATOM 576 CA ILE A 35 26.843 30.013 17.327 1.00 0.00 C ATOM 577 C ILE A 35 26.894 30.468 15.860 1.00 0.00 C ATOM 578 O ILE A 35 25.892 30.472 15.140 1.00 0.00 O ATOM 579 CB ILE A 35 27.003 28.489 17.549 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.499 28.145 17.711 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.345 27.653 16.441 1.00 0.00 C ATOM 582 CD1 ILE A 35 28.764 26.712 18.176 1.00 0.00 C ATOM 0 H ILE A 35 24.850 29.904 17.980 1.00 0.00 H new ATOM 0 HA ILE A 35 27.731 30.455 17.780 1.00 0.00 H new ATOM 0 HB ILE A 35 26.475 28.227 18.466 1.00 0.00 H new ATOM 0 HG12 ILE A 35 29.003 28.305 16.758 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.944 28.836 18.427 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.490 26.593 16.650 1.00 0.00 H new ATOM 0 HG22 ILE A 35 25.278 27.873 16.404 1.00 0.00 H new ATOM 0 HG23 ILE A 35 26.800 27.899 15.481 1.00 0.00 H new ATOM 0 HD11 ILE A 35 29.838 26.551 18.265 1.00 0.00 H new ATOM 0 HD12 ILE A 35 28.292 26.551 19.145 1.00 0.00 H new ATOM 0 HD13 ILE A 35 28.351 26.012 17.450 1.00 0.00 H new ATOM 594 N LYS A 36 28.088 30.839 15.403 1.00 0.00 N ATOM 595 CA LYS A 36 28.394 31.219 14.021 1.00 0.00 C ATOM 596 C LYS A 36 29.628 30.441 13.571 1.00 0.00 C ATOM 597 O LYS A 36 30.502 30.169 14.392 1.00 0.00 O ATOM 598 CB LYS A 36 28.561 32.748 13.967 1.00 0.00 C ATOM 599 CG LYS A 36 28.857 33.243 12.550 1.00 0.00 C ATOM 600 CD LYS A 36 28.877 34.771 12.459 1.00 0.00 C ATOM 601 CE LYS A 36 28.847 35.253 11.009 1.00 0.00 C ATOM 602 NZ LYS A 36 30.068 34.858 10.270 1.00 0.00 N ATOM 0 H LYS A 36 28.906 30.886 16.010 1.00 0.00 H new ATOM 0 HA LYS A 36 27.593 30.965 13.327 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.653 33.225 14.335 1.00 0.00 H new ATOM 0 HB3 LYS A 36 29.371 33.048 14.632 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.820 32.850 12.224 1.00 0.00 H new ATOM 0 HG3 LYS A 36 28.104 32.851 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 36 28.020 35.178 12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 36 29.772 35.153 12.951 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.971 34.842 10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.746 36.338 10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 30.016 35.218 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 30.904 35.257 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 30.142 33.821 10.252 1.00 0.00 H new ATOM 616 N ASN A 37 29.723 30.084 12.290 1.00 0.00 N ATOM 617 CA ASN A 37 30.723 29.140 11.765 1.00 0.00 C ATOM 618 C ASN A 37 32.160 29.712 11.643 1.00 0.00 C ATOM 619 O ASN A 37 32.913 29.355 10.733 1.00 0.00 O ATOM 620 CB ASN A 37 30.218 28.516 10.452 1.00 0.00 C ATOM 621 CG ASN A 37 28.902 27.763 10.534 1.00 0.00 C ATOM 622 OD1 ASN A 37 28.276 27.586 11.577 1.00 0.00 O ATOM 623 ND2 ASN A 37 28.447 27.301 9.399 1.00 0.00 N ATOM 0 H ASN A 37 29.098 30.447 11.571 1.00 0.00 H new ATOM 0 HA ASN A 37 30.829 28.354 12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 37 30.114 29.310 9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 37 30.982 27.833 10.081 1.00 0.00 H new ATOM 0 HD21 ASN A 37 27.565 26.789 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 37 28.974 27.453 8.539 1.00 0.00 H new ATOM 630 N ALA A 38 32.562 30.569 12.582 1.00 0.00 N ATOM 631 CA ALA A 38 33.936 31.005 12.818 1.00 0.00 C ATOM 632 C ALA A 38 34.170 31.174 14.333 1.00 0.00 C ATOM 633 O ALA A 38 35.006 30.489 14.920 1.00 0.00 O ATOM 634 CB ALA A 38 34.187 32.303 12.035 1.00 0.00 C ATOM 0 H ALA A 38 31.903 30.999 13.231 1.00 0.00 H new ATOM 0 HA ALA A 38 34.648 30.259 12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 38 35.210 32.638 12.204 1.00 0.00 H new ATOM 0 HB2 ALA A 38 34.036 32.121 10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 38 33.493 33.072 12.374 1.00 0.00 H new ATOM 640 N PHE A 39 33.361 32.022 14.977 1.00 0.00 N ATOM 641 CA PHE A 39 33.382 32.276 16.420 1.00 0.00 C ATOM 642 C PHE A 39 31.988 32.059 17.016 1.00 0.00 C ATOM 643 O PHE A 39 31.016 32.653 16.551 1.00 0.00 O ATOM 644 CB PHE A 39 33.881 33.701 16.706 1.00 0.00 C ATOM 645 CG PHE A 39 35.307 33.957 16.254 1.00 0.00 C ATOM 646 CD1 PHE A 39 36.386 33.662 17.112 1.00 0.00 C ATOM 647 CD2 PHE A 39 35.559 34.456 14.962 1.00 0.00 C ATOM 648 CE1 PHE A 39 37.707 33.857 16.674 1.00 0.00 C ATOM 649 CE2 PHE A 39 36.881 34.639 14.521 1.00 0.00 C ATOM 650 CZ PHE A 39 37.956 34.340 15.377 1.00 0.00 C ATOM 0 H PHE A 39 32.650 32.568 14.491 1.00 0.00 H new ATOM 0 HA PHE A 39 34.070 31.573 16.890 1.00 0.00 H new ATOM 0 HB2 PHE A 39 33.220 34.413 16.211 1.00 0.00 H new ATOM 0 HB3 PHE A 39 33.810 33.892 17.777 1.00 0.00 H new ATOM 0 HD1 PHE A 39 36.197 33.286 18.107 1.00 0.00 H new ATOM 0 HD2 PHE A 39 34.735 34.699 14.308 1.00 0.00 H new ATOM 0 HE1 PHE A 39 38.532 33.636 17.335 1.00 0.00 H new ATOM 0 HE2 PHE A 39 37.071 35.009 13.524 1.00 0.00 H new ATOM 0 HZ PHE A 39 38.972 34.481 15.039 1.00 0.00 H new ATOM 660 N GLY A 40 31.892 31.225 18.051 1.00 0.00 N ATOM 661 CA GLY A 40 30.650 31.033 18.794 1.00 0.00 C ATOM 662 C GLY A 40 30.438 32.086 19.882 1.00 0.00 C ATOM 663 O GLY A 40 31.399 32.587 20.469 1.00 0.00 O ATOM 0 H GLY A 40 32.672 30.665 18.396 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.810 31.061 18.100 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.655 30.043 19.250 1.00 0.00 H new ATOM 667 N PHE A 41 29.171 32.401 20.155 1.00 0.00 N ATOM 668 CA PHE A 41 28.737 33.329 21.196 1.00 0.00 C ATOM 669 C PHE A 41 27.566 32.753 22.013 1.00 0.00 C ATOM 670 O PHE A 41 26.854 31.832 21.601 1.00 0.00 O ATOM 671 CB PHE A 41 28.347 34.683 20.571 1.00 0.00 C ATOM 672 CG PHE A 41 29.502 35.609 20.237 1.00 0.00 C ATOM 673 CD1 PHE A 41 30.297 35.383 19.097 1.00 0.00 C ATOM 674 CD2 PHE A 41 29.757 36.732 21.047 1.00 0.00 C ATOM 675 CE1 PHE A 41 31.337 36.271 18.777 1.00 0.00 C ATOM 676 CE2 PHE A 41 30.773 37.640 20.702 1.00 0.00 C ATOM 677 CZ PHE A 41 31.556 37.418 19.557 1.00 0.00 C ATOM 0 H PHE A 41 28.390 32.000 19.636 1.00 0.00 H new ATOM 0 HA PHE A 41 29.571 33.482 21.880 1.00 0.00 H new ATOM 0 HB2 PHE A 41 27.782 34.492 19.658 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.677 35.200 21.258 1.00 0.00 H new ATOM 0 HD1 PHE A 41 30.107 34.526 18.468 1.00 0.00 H new ATOM 0 HD2 PHE A 41 29.169 36.897 21.938 1.00 0.00 H new ATOM 0 HE1 PHE A 41 31.972 36.071 17.926 1.00 0.00 H new ATOM 0 HE2 PHE A 41 30.952 38.509 21.318 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.322 38.126 19.278 1.00 0.00 H new ATOM 687 N ILE A 42 27.347 33.342 23.185 1.00 0.00 N ATOM 688 CA ILE A 42 26.157 33.151 24.023 1.00 0.00 C ATOM 689 C ILE A 42 25.667 34.521 24.494 1.00 0.00 C ATOM 690 O ILE A 42 26.472 35.431 24.666 1.00 0.00 O ATOM 691 CB ILE A 42 26.472 32.146 25.162 1.00 0.00 C ATOM 692 CG1 ILE A 42 25.796 30.803 24.817 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.070 32.623 26.569 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.280 29.627 25.669 1.00 0.00 C ATOM 0 H ILE A 42 28.017 33.992 23.597 1.00 0.00 H new ATOM 0 HA ILE A 42 25.335 32.703 23.464 1.00 0.00 H new ATOM 0 HB ILE A 42 27.556 32.041 25.214 1.00 0.00 H new ATOM 0 HG12 ILE A 42 24.718 30.908 24.940 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.977 30.576 23.766 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.328 31.857 27.300 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.601 33.545 26.806 1.00 0.00 H new ATOM 0 HG23 ILE A 42 24.996 32.806 26.598 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.758 28.719 25.366 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.353 29.493 25.528 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.074 29.830 26.720 1.00 0.00 H new ATOM 706 N GLN A 43 24.362 34.681 24.701 1.00 0.00 N ATOM 707 CA GLN A 43 23.729 35.935 25.118 1.00 0.00 C ATOM 708 C GLN A 43 22.784 35.622 26.283 1.00 0.00 C ATOM 709 O GLN A 43 21.687 35.126 26.050 1.00 0.00 O ATOM 710 CB GLN A 43 22.971 36.540 23.922 1.00 0.00 C ATOM 711 CG GLN A 43 23.847 36.855 22.699 1.00 0.00 C ATOM 712 CD GLN A 43 22.978 37.238 21.509 1.00 0.00 C ATOM 713 OE1 GLN A 43 22.578 36.402 20.707 1.00 0.00 O ATOM 714 NE2 GLN A 43 22.614 38.489 21.365 1.00 0.00 N ATOM 0 H GLN A 43 23.694 33.920 24.580 1.00 0.00 H new ATOM 0 HA GLN A 43 24.469 36.664 25.447 1.00 0.00 H new ATOM 0 HB2 GLN A 43 22.185 35.848 23.620 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.481 37.458 24.247 1.00 0.00 H new ATOM 0 HG2 GLN A 43 24.532 37.669 22.934 1.00 0.00 H new ATOM 0 HG3 GLN A 43 24.457 35.988 22.448 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.940 39.194 22.026 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.005 38.757 20.592 1.00 0.00 H new ATOM 723 N PHE A 44 23.208 35.833 27.533 1.00 0.00 N ATOM 724 CA PHE A 44 22.496 35.409 28.749 1.00 0.00 C ATOM 725 C PHE A 44 22.271 36.569 29.725 1.00 0.00 C ATOM 726 O PHE A 44 23.123 37.441 29.893 1.00 0.00 O ATOM 727 CB PHE A 44 23.258 34.278 29.471 1.00 0.00 C ATOM 728 CG PHE A 44 23.300 32.887 28.849 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.453 32.496 27.791 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.200 31.941 29.379 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.537 31.208 27.241 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.264 30.641 28.845 1.00 0.00 C ATOM 733 CZ PHE A 44 23.442 30.276 27.767 1.00 0.00 C ATOM 0 H PHE A 44 24.082 36.318 27.736 1.00 0.00 H new ATOM 0 HA PHE A 44 21.522 35.043 28.423 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.288 34.609 29.601 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.827 34.178 30.467 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.731 33.197 27.399 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.845 32.216 30.201 1.00 0.00 H new ATOM 0 HE1 PHE A 44 21.903 30.934 26.411 1.00 0.00 H new ATOM 0 HE2 PHE A 44 24.949 29.920 29.266 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.507 29.284 27.346 1.00 0.00 H new ATOM 743 N ASP A 45 21.140 36.548 30.429 1.00 0.00 N ATOM 744 CA ASP A 45 20.912 37.413 31.583 1.00 0.00 C ATOM 745 C ASP A 45 21.720 36.953 32.822 1.00 0.00 C ATOM 746 O ASP A 45 22.026 35.769 32.988 1.00 0.00 O ATOM 747 CB ASP A 45 19.410 37.500 31.883 1.00 0.00 C ATOM 748 CG ASP A 45 18.573 38.129 30.770 1.00 0.00 C ATOM 749 OD1 ASP A 45 18.887 39.254 30.325 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.475 37.612 30.463 1.00 0.00 O ATOM 0 H ASP A 45 20.357 35.931 30.215 1.00 0.00 H new ATOM 0 HA ASP A 45 21.273 38.412 31.337 1.00 0.00 H new ATOM 0 HB2 ASP A 45 19.034 36.496 32.079 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.268 38.078 32.796 1.00 0.00 H new ATOM 755 N ASN A 46 22.013 37.907 33.711 1.00 0.00 N ATOM 756 CA ASN A 46 22.979 37.859 34.822 1.00 0.00 C ATOM 757 C ASN A 46 24.461 37.705 34.385 1.00 0.00 C ATOM 758 O ASN A 46 24.997 36.590 34.400 1.00 0.00 O ATOM 759 CB ASN A 46 22.570 36.856 35.921 1.00 0.00 C ATOM 760 CG ASN A 46 23.396 37.044 37.190 1.00 0.00 C ATOM 761 OD1 ASN A 46 24.286 37.880 37.273 1.00 0.00 O ATOM 762 ND2 ASN A 46 23.133 36.277 38.217 1.00 0.00 N ATOM 0 H ASN A 46 21.542 38.811 33.672 1.00 0.00 H new ATOM 0 HA ASN A 46 22.932 38.852 35.270 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.512 36.981 36.153 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.697 35.839 35.551 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.668 36.378 39.079 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.393 35.578 38.155 1.00 0.00 H new ATOM 769 N PRO A 47 25.180 38.817 34.096 1.00 0.00 N ATOM 770 CA PRO A 47 26.617 38.778 33.794 1.00 0.00 C ATOM 771 C PRO A 47 27.483 38.166 34.905 1.00 0.00 C ATOM 772 O PRO A 47 28.564 37.660 34.617 1.00 0.00 O ATOM 773 CB PRO A 47 27.043 40.234 33.562 1.00 0.00 C ATOM 774 CG PRO A 47 25.961 41.059 34.253 1.00 0.00 C ATOM 775 CD PRO A 47 24.711 40.200 34.086 1.00 0.00 C ATOM 0 HA PRO A 47 26.770 38.135 32.927 1.00 0.00 H new ATOM 0 HB2 PRO A 47 28.027 40.433 33.987 1.00 0.00 H new ATOM 0 HB3 PRO A 47 27.102 40.466 32.499 1.00 0.00 H new ATOM 0 HG2 PRO A 47 26.195 41.231 35.304 1.00 0.00 H new ATOM 0 HG3 PRO A 47 25.842 42.038 33.789 1.00 0.00 H new ATOM 0 HD2 PRO A 47 24.002 40.379 34.894 1.00 0.00 H new ATOM 0 HD3 PRO A 47 24.197 40.433 33.153 1.00 0.00 H new ATOM 783 N GLN A 48 27.038 38.181 36.165 1.00 0.00 N ATOM 784 CA GLN A 48 27.828 37.697 37.305 1.00 0.00 C ATOM 785 C GLN A 48 28.004 36.177 37.236 1.00 0.00 C ATOM 786 O GLN A 48 29.115 35.679 37.415 1.00 0.00 O ATOM 787 CB GLN A 48 27.154 38.083 38.629 1.00 0.00 C ATOM 788 CG GLN A 48 26.850 39.586 38.751 1.00 0.00 C ATOM 789 CD GLN A 48 25.864 39.840 39.874 1.00 0.00 C ATOM 790 OE1 GLN A 48 26.212 40.326 40.945 1.00 0.00 O ATOM 791 NE2 GLN A 48 24.612 39.505 39.670 1.00 0.00 N ATOM 0 H GLN A 48 26.116 38.530 36.426 1.00 0.00 H new ATOM 0 HA GLN A 48 28.811 38.166 37.258 1.00 0.00 H new ATOM 0 HB2 GLN A 48 26.224 37.524 38.730 1.00 0.00 H new ATOM 0 HB3 GLN A 48 27.798 37.783 39.456 1.00 0.00 H new ATOM 0 HG2 GLN A 48 27.773 40.135 38.938 1.00 0.00 H new ATOM 0 HG3 GLN A 48 26.443 39.958 37.811 1.00 0.00 H new ATOM 0 HE21 GLN A 48 24.331 39.101 38.776 1.00 0.00 H new ATOM 0 HE22 GLN A 48 23.919 39.648 40.405 1.00 0.00 H new ATOM 800 N SER A 49 26.938 35.442 36.911 1.00 0.00 N ATOM 801 CA SER A 49 27.001 33.993 36.694 1.00 0.00 C ATOM 802 C SER A 49 27.692 33.625 35.380 1.00 0.00 C ATOM 803 O SER A 49 28.349 32.591 35.311 1.00 0.00 O ATOM 804 CB SER A 49 25.604 33.390 36.706 1.00 0.00 C ATOM 805 OG SER A 49 24.964 33.592 37.951 1.00 0.00 O ATOM 0 H SER A 49 26.004 35.835 36.790 1.00 0.00 H new ATOM 0 HA SER A 49 27.594 33.584 37.512 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.007 33.837 35.912 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.665 32.322 36.496 1.00 0.00 H new ATOM 0 HG SER A 49 24.341 32.855 38.122 1.00 0.00 H new ATOM 811 N VAL A 50 27.617 34.477 34.349 1.00 0.00 N ATOM 812 CA VAL A 50 28.417 34.308 33.120 1.00 0.00 C ATOM 813 C VAL A 50 29.910 34.443 33.447 1.00 0.00 C ATOM 814 O VAL A 50 30.697 33.578 33.072 1.00 0.00 O ATOM 815 CB VAL A 50 27.957 35.282 32.014 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.797 35.182 30.734 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.506 34.983 31.609 1.00 0.00 C ATOM 0 H VAL A 50 27.008 35.295 34.338 1.00 0.00 H new ATOM 0 HA VAL A 50 28.257 33.305 32.724 1.00 0.00 H new ATOM 0 HB VAL A 50 28.068 36.279 32.441 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.422 35.892 29.997 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.838 35.412 30.963 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.728 34.171 30.332 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.196 35.678 30.828 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.436 33.962 31.235 1.00 0.00 H new ATOM 0 HG23 VAL A 50 25.855 35.097 32.476 1.00 0.00 H new ATOM 827 N ARG A 51 30.307 35.459 34.227 1.00 0.00 N ATOM 828 CA ARG A 51 31.681 35.632 34.729 1.00 0.00 C ATOM 829 C ARG A 51 32.116 34.504 35.670 1.00 0.00 C ATOM 830 O ARG A 51 33.260 34.065 35.592 1.00 0.00 O ATOM 831 CB ARG A 51 31.800 37.018 35.390 1.00 0.00 C ATOM 832 CG ARG A 51 33.168 37.304 36.025 1.00 0.00 C ATOM 833 CD ARG A 51 34.348 37.289 35.042 1.00 0.00 C ATOM 834 NE ARG A 51 35.616 37.419 35.778 1.00 0.00 N ATOM 835 CZ ARG A 51 36.729 38.008 35.381 1.00 0.00 C ATOM 836 NH1 ARG A 51 36.879 38.546 34.208 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.754 38.065 36.172 1.00 0.00 N ATOM 0 H ARG A 51 29.673 36.197 34.533 1.00 0.00 H new ATOM 0 HA ARG A 51 32.368 35.576 33.885 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.594 37.783 34.641 1.00 0.00 H new ATOM 0 HB3 ARG A 51 31.031 37.108 36.157 1.00 0.00 H new ATOM 0 HG2 ARG A 51 33.131 38.279 36.512 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.353 36.565 36.805 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.344 36.362 34.469 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.247 38.106 34.327 1.00 0.00 H new ATOM 0 HE ARG A 51 35.638 37.003 36.709 1.00 0.00 H new ATOM 0 HH11 ARG A 51 36.112 38.527 33.536 1.00 0.00 H new ATOM 0 HH12 ARG A 51 37.764 38.987 33.959 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.702 37.654 37.104 1.00 0.00 H new ATOM 0 HH22 ARG A 51 38.612 38.521 35.862 1.00 0.00 H new ATOM 851 N ASP A 52 31.216 34.001 36.513 1.00 0.00 N ATOM 852 CA ASP A 52 31.478 32.843 37.374 1.00 0.00 C ATOM 853 C ASP A 52 31.775 31.589 36.540 1.00 0.00 C ATOM 854 O ASP A 52 32.769 30.899 36.767 1.00 0.00 O ATOM 855 CB ASP A 52 30.284 32.610 38.308 1.00 0.00 C ATOM 856 CG ASP A 52 30.651 31.622 39.408 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.156 32.058 40.469 1.00 0.00 O ATOM 858 OD2 ASP A 52 30.508 30.395 39.222 1.00 0.00 O ATOM 0 H ASP A 52 30.278 34.386 36.621 1.00 0.00 H new ATOM 0 HA ASP A 52 32.362 33.050 37.977 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.971 33.556 38.750 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.437 32.229 37.737 1.00 0.00 H new ATOM 863 N ALA A 53 30.978 31.343 35.502 1.00 0.00 N ATOM 864 CA ALA A 53 31.198 30.241 34.579 1.00 0.00 C ATOM 865 C ALA A 53 32.506 30.404 33.771 1.00 0.00 C ATOM 866 O ALA A 53 33.169 29.402 33.502 1.00 0.00 O ATOM 867 CB ALA A 53 29.947 30.098 33.714 1.00 0.00 C ATOM 0 H ALA A 53 30.158 31.908 35.280 1.00 0.00 H new ATOM 0 HA ALA A 53 31.348 29.311 35.128 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.083 29.277 33.010 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.086 29.892 34.350 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.778 31.023 33.164 1.00 0.00 H new ATOM 873 N ILE A 54 32.952 31.631 33.460 1.00 0.00 N ATOM 874 CA ILE A 54 34.273 31.886 32.843 1.00 0.00 C ATOM 875 C ILE A 54 35.394 31.361 33.738 1.00 0.00 C ATOM 876 O ILE A 54 36.210 30.552 33.289 1.00 0.00 O ATOM 877 CB ILE A 54 34.483 33.385 32.508 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.574 33.788 31.332 1.00 0.00 C ATOM 879 CG2 ILE A 54 35.958 33.715 32.193 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.530 35.283 31.047 1.00 0.00 C ATOM 0 H ILE A 54 32.410 32.479 33.628 1.00 0.00 H new ATOM 0 HA ILE A 54 34.301 31.344 31.898 1.00 0.00 H new ATOM 0 HB ILE A 54 34.213 33.963 33.392 1.00 0.00 H new ATOM 0 HG12 ILE A 54 33.913 33.270 30.434 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.561 33.441 31.537 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.053 34.777 31.965 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.577 33.473 33.057 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.287 33.129 31.335 1.00 0.00 H new ATOM 0 HD11 ILE A 54 32.866 35.473 30.204 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.160 35.810 31.926 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.532 35.637 30.806 1.00 0.00 H new ATOM 892 N GLU A 55 35.445 31.782 35.001 1.00 0.00 N ATOM 893 CA GLU A 55 36.501 31.353 35.930 1.00 0.00 C ATOM 894 C GLU A 55 36.360 29.887 36.368 1.00 0.00 C ATOM 895 O GLU A 55 37.322 29.302 36.866 1.00 0.00 O ATOM 896 CB GLU A 55 36.599 32.319 37.120 1.00 0.00 C ATOM 897 CG GLU A 55 35.324 32.389 37.969 1.00 0.00 C ATOM 898 CD GLU A 55 35.406 33.409 39.106 1.00 0.00 C ATOM 899 OE1 GLU A 55 36.148 34.417 39.006 1.00 0.00 O ATOM 900 OE2 GLU A 55 34.696 33.230 40.125 1.00 0.00 O ATOM 0 H GLU A 55 34.766 32.423 35.410 1.00 0.00 H new ATOM 0 HA GLU A 55 37.446 31.395 35.388 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.431 32.014 37.755 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.831 33.317 36.748 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.481 32.641 37.325 1.00 0.00 H new ATOM 0 HG3 GLU A 55 35.121 31.404 38.389 1.00 0.00 H new ATOM 907 N CYS A 56 35.195 29.262 36.167 1.00 0.00 N ATOM 908 CA CYS A 56 34.987 27.841 36.443 1.00 0.00 C ATOM 909 C CYS A 56 35.306 26.921 35.251 1.00 0.00 C ATOM 910 O CYS A 56 35.824 25.829 35.482 1.00 0.00 O ATOM 911 CB CYS A 56 33.573 27.624 36.992 1.00 0.00 C ATOM 912 SG CYS A 56 33.422 28.488 38.582 1.00 0.00 S ATOM 0 H CYS A 56 34.366 29.733 35.806 1.00 0.00 H new ATOM 0 HA CYS A 56 35.709 27.548 37.205 1.00 0.00 H new ATOM 0 HB2 CYS A 56 32.833 28.001 36.286 1.00 0.00 H new ATOM 0 HB3 CYS A 56 33.378 26.559 37.121 1.00 0.00 H new ATOM 0 HG CYS A 56 33.114 29.733 38.372 1.00 0.00 H new ATOM 918 N GLU A 57 35.029 27.320 34.003 1.00 0.00 N ATOM 919 CA GLU A 57 35.163 26.480 32.793 1.00 0.00 C ATOM 920 C GLU A 57 36.412 26.794 31.951 1.00 0.00 C ATOM 921 O GLU A 57 36.915 25.903 31.274 1.00 0.00 O ATOM 922 CB GLU A 57 33.884 26.606 31.946 1.00 0.00 C ATOM 923 CG GLU A 57 33.784 25.676 30.722 1.00 0.00 C ATOM 924 CD GLU A 57 33.744 24.186 31.087 1.00 0.00 C ATOM 925 OE1 GLU A 57 32.706 23.721 31.617 1.00 0.00 O ATOM 926 OE2 GLU A 57 34.725 23.446 30.832 1.00 0.00 O ATOM 0 H GLU A 57 34.696 28.261 33.795 1.00 0.00 H new ATOM 0 HA GLU A 57 35.295 25.452 33.130 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.026 26.417 32.591 1.00 0.00 H new ATOM 0 HB3 GLU A 57 33.802 27.637 31.601 1.00 0.00 H new ATOM 0 HG2 GLU A 57 32.887 25.928 30.157 1.00 0.00 H new ATOM 0 HG3 GLU A 57 34.635 25.859 30.066 1.00 0.00 H new ATOM 933 N SER A 58 36.993 28.001 32.014 1.00 0.00 N ATOM 934 CA SER A 58 38.312 28.265 31.387 1.00 0.00 C ATOM 935 C SER A 58 39.473 27.534 32.085 1.00 0.00 C ATOM 936 O SER A 58 40.610 27.603 31.630 1.00 0.00 O ATOM 937 CB SER A 58 38.618 29.769 31.288 1.00 0.00 C ATOM 938 OG SER A 58 38.736 30.383 32.560 1.00 0.00 O ATOM 0 H SER A 58 36.582 28.807 32.486 1.00 0.00 H new ATOM 0 HA SER A 58 38.232 27.861 30.378 1.00 0.00 H new ATOM 0 HB2 SER A 58 39.544 29.912 30.731 1.00 0.00 H new ATOM 0 HB3 SER A 58 37.827 30.261 30.722 1.00 0.00 H new ATOM 0 HG SER A 58 37.864 30.736 32.835 1.00 0.00 H new ATOM 944 N GLN A 59 39.193 26.867 33.209 1.00 0.00 N ATOM 945 CA GLN A 59 40.170 26.275 34.121 1.00 0.00 C ATOM 946 C GLN A 59 39.674 24.960 34.759 1.00 0.00 C ATOM 947 O GLN A 59 40.120 24.601 35.847 1.00 0.00 O ATOM 948 CB GLN A 59 40.525 27.323 35.201 1.00 0.00 C ATOM 949 CG GLN A 59 41.282 28.559 34.688 1.00 0.00 C ATOM 950 CD GLN A 59 42.631 28.246 34.039 1.00 0.00 C ATOM 951 OE1 GLN A 59 43.278 27.242 34.325 1.00 0.00 O ATOM 952 NE2 GLN A 59 43.122 29.107 33.182 1.00 0.00 N ATOM 0 H GLN A 59 38.233 26.720 33.520 1.00 0.00 H new ATOM 0 HA GLN A 59 41.059 26.005 33.551 1.00 0.00 H new ATOM 0 HB2 GLN A 59 39.604 27.654 35.681 1.00 0.00 H new ATOM 0 HB3 GLN A 59 41.129 26.840 35.969 1.00 0.00 H new ATOM 0 HG2 GLN A 59 40.656 29.080 33.964 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.443 29.244 35.521 1.00 0.00 H new ATOM 0 HE21 GLN A 59 42.591 29.943 32.939 1.00 0.00 H new ATOM 0 HE22 GLN A 59 44.035 28.941 32.758 1.00 0.00 H new ATOM 1097 N ILE A 68 40.427 30.708 26.616 1.00 0.00 N ATOM 1098 CA ILE A 68 39.793 31.770 27.396 1.00 0.00 C ATOM 1099 C ILE A 68 38.357 32.004 26.920 1.00 0.00 C ATOM 1100 O ILE A 68 38.005 31.740 25.769 1.00 0.00 O ATOM 1101 CB ILE A 68 40.637 33.070 27.381 1.00 0.00 C ATOM 1102 CG1 ILE A 68 40.225 34.101 28.453 1.00 0.00 C ATOM 1103 CG2 ILE A 68 40.642 33.757 26.005 1.00 0.00 C ATOM 1104 CD1 ILE A 68 40.159 33.533 29.877 1.00 0.00 C ATOM 0 HA ILE A 68 39.744 31.447 28.436 1.00 0.00 H new ATOM 0 HB ILE A 68 41.644 32.726 27.618 1.00 0.00 H new ATOM 0 HG12 ILE A 68 40.934 34.929 28.436 1.00 0.00 H new ATOM 0 HG13 ILE A 68 39.249 34.511 28.191 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.248 34.662 26.052 1.00 0.00 H new ATOM 0 HG22 ILE A 68 41.060 33.079 25.261 1.00 0.00 H new ATOM 0 HG23 ILE A 68 39.621 34.018 25.725 1.00 0.00 H new ATOM 0 HD11 ILE A 68 39.863 34.321 30.570 1.00 0.00 H new ATOM 0 HD12 ILE A 68 39.429 32.725 29.913 1.00 0.00 H new ATOM 0 HD13 ILE A 68 41.139 33.150 30.162 1.00 0.00 H new ATOM 1116 N LEU A 69 37.540 32.510 27.836 1.00 0.00 N ATOM 1117 CA LEU A 69 36.138 32.874 27.672 1.00 0.00 C ATOM 1118 C LEU A 69 35.992 34.317 28.199 1.00 0.00 C ATOM 1119 O LEU A 69 36.676 34.669 29.162 1.00 0.00 O ATOM 1120 CB LEU A 69 35.286 31.859 28.469 1.00 0.00 C ATOM 1121 CG LEU A 69 35.546 30.357 28.210 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.768 29.506 29.215 1.00 0.00 C ATOM 1123 CD2 LEU A 69 35.122 29.925 26.812 1.00 0.00 C ATOM 0 H LEU A 69 37.866 32.690 28.786 1.00 0.00 H new ATOM 0 HA LEU A 69 35.800 32.843 26.636 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.440 32.050 29.531 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.236 32.061 28.258 1.00 0.00 H new ATOM 0 HG LEU A 69 36.621 30.209 28.315 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.959 28.450 29.023 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.088 29.754 30.227 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.701 29.706 29.113 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.326 28.862 26.682 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.055 30.108 26.682 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.681 30.495 26.070 1.00 0.00 H new ATOM 1135 N GLU A 70 35.169 35.173 27.594 1.00 0.00 N ATOM 1136 CA GLU A 70 35.073 36.602 27.964 1.00 0.00 C ATOM 1137 C GLU A 70 33.622 37.091 28.039 1.00 0.00 C ATOM 1138 O GLU A 70 32.850 36.872 27.108 1.00 0.00 O ATOM 1139 CB GLU A 70 35.894 37.438 26.966 1.00 0.00 C ATOM 1140 CG GLU A 70 35.788 38.963 27.135 1.00 0.00 C ATOM 1141 CD GLU A 70 36.475 39.510 28.392 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.146 39.108 29.534 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.375 40.371 28.255 1.00 0.00 O ATOM 0 H GLU A 70 34.546 34.904 26.832 1.00 0.00 H new ATOM 0 HA GLU A 70 35.484 36.725 28.966 1.00 0.00 H new ATOM 0 HB2 GLU A 70 36.942 37.152 27.055 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.578 37.179 25.955 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.223 39.445 26.259 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.734 39.241 27.161 1.00 0.00 H new ATOM 1150 N VAL A 71 33.265 37.795 29.120 1.00 0.00 N ATOM 1151 CA VAL A 71 31.945 38.423 29.295 1.00 0.00 C ATOM 1152 C VAL A 71 31.951 39.850 28.751 1.00 0.00 C ATOM 1153 O VAL A 71 32.943 40.572 28.879 1.00 0.00 O ATOM 1154 CB VAL A 71 31.446 38.344 30.758 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.296 39.161 31.738 1.00 0.00 C ATOM 1156 CG2 VAL A 71 29.983 38.781 30.907 1.00 0.00 C ATOM 0 H VAL A 71 33.892 37.948 29.910 1.00 0.00 H new ATOM 0 HA VAL A 71 31.224 37.853 28.709 1.00 0.00 H new ATOM 0 HB VAL A 71 31.539 37.288 31.012 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.889 39.060 32.744 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.322 38.794 31.723 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.282 40.211 31.445 1.00 0.00 H new ATOM 0 HG21 VAL A 71 29.686 38.706 31.953 1.00 0.00 H new ATOM 0 HG22 VAL A 71 29.876 39.813 30.572 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.347 38.135 30.302 1.00 0.00 H new ATOM 1166 N SER A 72 30.837 40.273 28.165 1.00 0.00 N ATOM 1167 CA SER A 72 30.632 41.630 27.661 1.00 0.00 C ATOM 1168 C SER A 72 29.210 42.105 27.942 1.00 0.00 C ATOM 1169 O SER A 72 28.268 41.309 27.909 1.00 0.00 O ATOM 1170 CB SER A 72 30.897 41.659 26.156 1.00 0.00 C ATOM 1171 OG SER A 72 31.319 42.951 25.770 1.00 0.00 O ATOM 0 H SER A 72 30.029 39.667 28.022 1.00 0.00 H new ATOM 0 HA SER A 72 31.325 42.299 28.171 1.00 0.00 H new ATOM 0 HB2 SER A 72 31.660 40.925 25.897 1.00 0.00 H new ATOM 0 HB3 SER A 72 29.993 41.384 25.613 1.00 0.00 H new ATOM 0 HG SER A 72 31.489 42.965 24.805 1.00 0.00 H new ATOM 1177 N SER A 73 29.027 43.404 28.166 1.00 0.00 N ATOM 1178 CA SER A 73 27.687 43.987 28.242 1.00 0.00 C ATOM 1179 C SER A 73 27.064 44.129 26.852 1.00 0.00 C ATOM 1180 O SER A 73 27.747 44.423 25.869 1.00 0.00 O ATOM 1181 CB SER A 73 27.713 45.339 28.950 1.00 0.00 C ATOM 1182 OG SER A 73 26.378 45.762 29.169 1.00 0.00 O ATOM 0 H SER A 73 29.786 44.072 28.298 1.00 0.00 H new ATOM 0 HA SER A 73 27.069 43.305 28.826 1.00 0.00 H new ATOM 0 HB2 SER A 73 28.245 45.259 29.898 1.00 0.00 H new ATOM 0 HB3 SER A 73 28.248 46.072 28.346 1.00 0.00 H new ATOM 0 HG SER A 73 26.380 46.629 29.625 1.00 0.00 H new