USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 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 8 MET CE :methyl -120:sc= -4.77 (180deg=-6.53!) USER MOD Set 1.2: A 73 TYR OH : rot -57:sc= -0.692 USER MOD Single : A 1 ALA N :NH3+ -129:sc= -0.772 (180deg=-3.9!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -2.22! K(o=-2.2!,f=0.11) USER MOD Single : A 20 MET CE :methyl 137:sc= -0.0859 (180deg=-2.19!) USER MOD Single : A 23 ASN : amide:sc= -0.0696 K(o=-0.07,f=-1.1) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 25 TYR OH : rot -105:sc= 0.596 USER MOD Single : A 28 TYR OH : rot -171:sc= 1.17 USER MOD Single : A 34 SER OG : rot 84:sc= 0.0225 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 12:sc= 0.27 USER MOD Single : A 48 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-1.9!) USER MOD Single : A 50 ASN : amide:sc= 0.0456 K(o=0.046,f=-0.84) USER MOD Single : A 52 TYR OH : rot 63:sc= 0.255 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.00849 X(o=0.0085,f=-0.11) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -22:sc= -0.159 USER MOD Single : A 70 THR OG1 : rot 39:sc= 0.764 USER MOD Single : A 72 SER OG : rot -96:sc= 0.719 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00614 USER MOD Single : A 78 SER OG : rot 8:sc= 0.0913 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 80 THR OG1 : rot -46:sc= 1.28 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 85 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.7!) USER MOD Single : A 86 SER OG : rot -49:sc= 0.188 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.00152 K(o=0.0015,f=-0.55) USER MOD Single : A 89 ASN : amide:sc= -0.0205 K(o=-0.021,f=-1.9!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot -67:sc= 1.22 USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.157) USER MOD Single : A 111 TYR OH : rot 4:sc= 1.34 USER MOD Single : A 112 ASN : amide:sc= 0.0703 X(o=0.07,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.786 K(o=-0.79,f=-2.3) USER MOD Single : A 116 LYS NZ :NH3+ -112:sc=0.000545 (180deg=-0.7) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot -48:sc= 1.16 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -133:sc= 0.375 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.191 1.126 3.705 1.00 0.00 N ATOM 2 CA ALA A 1 -7.706 2.269 4.492 1.00 0.00 C ATOM 3 C ALA A 1 -6.191 2.211 4.706 1.00 0.00 C ATOM 4 O ALA A 1 -5.564 1.155 4.761 1.00 0.00 O ATOM 5 CB ALA A 1 -8.396 2.354 5.852 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.776 1.470 2.917 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.380 0.595 3.328 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.761 0.503 4.312 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.949 3.159 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.010 3.212 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.470 2.469 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.201 1.442 6.417 1.00 0.00 H new ATOM 6 N LEU A 2 -5.634 3.405 4.844 1.00 0.00 N ATOM 7 CA LEU A 2 -4.188 3.644 4.937 1.00 0.00 C ATOM 8 C LEU A 2 -3.642 3.735 6.368 1.00 0.00 C ATOM 9 O LEU A 2 -2.638 3.097 6.639 1.00 0.00 O ATOM 10 CB LEU A 2 -4.005 4.913 4.095 1.00 0.00 C ATOM 11 CG LEU A 2 -2.650 5.310 3.526 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.826 6.250 4.391 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.832 4.113 3.108 1.00 0.00 C ATOM 0 H LEU A 2 -6.184 4.262 4.897 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.598 2.806 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.690 4.833 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.348 5.749 4.705 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.908 5.890 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.881 6.468 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.377 7.178 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.628 5.779 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.875 4.448 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.660 3.470 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.369 3.555 2.341 1.00 0.00 H new ATOM 14 N TRP A 3 -4.257 4.513 7.274 1.00 0.00 N ATOM 15 CA TRP A 3 -3.881 4.541 8.719 1.00 0.00 C ATOM 16 C TRP A 3 -4.162 3.204 9.446 1.00 0.00 C ATOM 17 O TRP A 3 -3.313 2.749 10.219 1.00 0.00 O ATOM 18 CB TRP A 3 -4.510 5.737 9.489 1.00 0.00 C ATOM 19 CG TRP A 3 -6.077 5.756 9.672 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.810 5.089 10.689 1.00 0.00 C ATOM 21 CD2 TRP A 3 -7.040 6.064 8.715 1.00 0.00 C ATOM 22 NE1 TRP A 3 -8.187 5.036 10.427 1.00 0.00 N ATOM 23 CE2 TRP A 3 -8.303 5.558 9.164 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.845 6.353 7.350 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.327 5.285 8.201 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.850 6.049 6.450 1.00 0.00 C ATOM 27 CH2 TRP A 3 -9.093 5.562 6.865 1.00 0.00 C ATOM 0 H TRP A 3 -5.026 5.141 7.039 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.801 4.688 8.723 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -4.057 5.772 10.480 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.222 6.654 8.975 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.355 4.666 11.572 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.930 4.690 11.035 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.924 6.805 7.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -10.272 4.867 8.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.669 6.192 5.395 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -9.876 5.401 6.139 1.00 0.00 H new ATOM 28 N GLN A 4 -5.336 2.590 9.184 1.00 0.00 N ATOM 29 CA GLN A 4 -5.644 1.255 9.695 1.00 0.00 C ATOM 30 C GLN A 4 -4.860 0.119 8.983 1.00 0.00 C ATOM 31 O GLN A 4 -4.731 -0.907 9.651 1.00 0.00 O ATOM 32 CB GLN A 4 -7.152 0.947 9.705 1.00 0.00 C ATOM 33 CG GLN A 4 -7.911 1.422 10.954 1.00 0.00 C ATOM 34 CD GLN A 4 -9.380 0.993 10.931 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.736 -0.075 11.427 1.00 0.00 O ATOM 36 NE2 GLN A 4 -10.258 1.800 10.356 1.00 0.00 N ATOM 0 H GLN A 4 -6.079 3.005 8.622 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.303 1.279 10.730 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.606 1.407 8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.287 -0.130 9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.430 1.019 11.845 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.852 2.508 11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.949 2.683 9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.243 1.539 10.320 1.00 0.00 H new ATOM 37 N PHE A 5 -4.350 0.242 7.714 1.00 0.00 N ATOM 38 CA PHE A 5 -3.358 -0.751 7.204 1.00 0.00 C ATOM 39 C PHE A 5 -1.926 -0.490 7.698 1.00 0.00 C ATOM 40 O PHE A 5 -1.195 -1.453 7.873 1.00 0.00 O ATOM 41 CB PHE A 5 -3.490 -1.129 5.722 1.00 0.00 C ATOM 42 CG PHE A 5 -2.406 -0.839 4.700 1.00 0.00 C ATOM 43 CD1 PHE A 5 -2.064 0.470 4.450 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.760 -1.852 3.971 1.00 0.00 C ATOM 45 CE1 PHE A 5 -1.101 0.782 3.501 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.841 -1.535 2.969 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.497 -0.211 2.744 1.00 0.00 C ATOM 0 H PHE A 5 -4.598 0.983 7.058 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.646 -1.686 7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.667 -2.204 5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.397 -0.646 5.358 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.550 1.263 4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.977 -2.887 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.818 1.813 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.400 -2.319 2.371 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.232 0.044 1.989 1.00 0.00 H new ATOM 48 N ARG A 6 -1.530 0.761 7.906 1.00 0.00 N ATOM 49 CA ARG A 6 -0.213 1.147 8.434 1.00 0.00 C ATOM 50 C ARG A 6 0.281 0.583 9.762 1.00 0.00 C ATOM 51 O ARG A 6 1.469 0.367 9.953 1.00 0.00 O ATOM 52 CB ARG A 6 -0.228 2.673 8.533 1.00 0.00 C ATOM 53 CG ARG A 6 0.376 3.400 7.343 1.00 0.00 C ATOM 54 CD ARG A 6 0.280 2.860 5.917 1.00 0.00 C ATOM 55 NE ARG A 6 1.475 2.139 5.410 1.00 0.00 N ATOM 56 CZ ARG A 6 1.930 2.166 4.135 1.00 0.00 C ATOM 57 NH1 ARG A 6 1.420 2.926 3.173 1.00 0.00 N ATOM 58 NH2 ARG A 6 2.958 1.411 3.807 1.00 0.00 N ATOM 0 H ARG A 6 -2.129 1.563 7.708 1.00 0.00 H new ATOM 0 HA ARG A 6 0.494 0.703 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.259 3.004 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.312 2.969 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.065 4.397 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.437 3.524 7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.576 2.187 5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.073 3.695 5.247 1.00 0.00 H new ATOM 0 HE ARG A 6 1.998 1.575 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.632 3.542 3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.816 2.893 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.399 0.817 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.313 1.420 2.851 1.00 0.00 H new ATOM 59 N SER A 7 -0.649 0.361 10.669 1.00 0.00 N ATOM 60 CA SER A 7 -0.268 -0.053 12.071 1.00 0.00 C ATOM 61 C SER A 7 0.249 -1.505 12.165 1.00 0.00 C ATOM 62 O SER A 7 1.384 -1.818 12.507 1.00 0.00 O ATOM 63 CB SER A 7 -1.378 0.330 13.060 1.00 0.00 C ATOM 64 OG SER A 7 -1.514 1.746 13.139 1.00 0.00 O ATOM 0 H SER A 7 -1.652 0.447 10.503 1.00 0.00 H new ATOM 0 HA SER A 7 0.609 0.518 12.376 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.322 -0.114 12.745 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.149 -0.074 14.046 1.00 0.00 H new ATOM 0 HG SER A 7 -2.227 1.971 13.773 1.00 0.00 H new ATOM 65 N MET A 8 -0.637 -2.351 11.748 1.00 0.00 N ATOM 66 CA MET A 8 -0.397 -3.666 11.159 1.00 0.00 C ATOM 67 C MET A 8 0.674 -3.756 10.024 1.00 0.00 C ATOM 68 O MET A 8 1.283 -4.813 9.969 1.00 0.00 O ATOM 69 CB MET A 8 -1.794 -4.165 10.703 1.00 0.00 C ATOM 70 CG MET A 8 -2.802 -3.075 10.280 1.00 0.00 C ATOM 71 SD MET A 8 -4.177 -3.734 9.393 1.00 0.00 S ATOM 72 CE MET A 8 -3.285 -4.152 7.930 1.00 0.00 C ATOM 0 H MET A 8 -1.633 -2.141 11.807 1.00 0.00 H new ATOM 0 HA MET A 8 0.066 -4.303 11.913 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.657 -4.849 9.865 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.234 -4.742 11.516 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.162 -2.554 11.167 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.294 -2.336 9.660 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.704 -3.611 7.081 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.237 -3.879 8.053 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.362 -5.224 7.751 1.00 0.00 H new ATOM 73 N ILE A 9 0.959 -2.740 9.166 1.00 0.00 N ATOM 74 CA ILE A 9 2.182 -2.717 8.265 1.00 0.00 C ATOM 75 C ILE A 9 3.454 -2.664 9.128 1.00 0.00 C ATOM 76 O ILE A 9 4.272 -3.543 8.931 1.00 0.00 O ATOM 77 CB ILE A 9 2.081 -1.613 7.176 1.00 0.00 C ATOM 78 CG1 ILE A 9 1.007 -2.000 6.118 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.340 -1.092 6.430 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.575 -2.583 4.846 1.00 0.00 C ATOM 0 H ILE A 9 0.366 -1.916 9.067 1.00 0.00 H new ATOM 0 HA ILE A 9 2.236 -3.642 7.690 1.00 0.00 H new ATOM 0 HB ILE A 9 1.827 -0.759 7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.320 -2.722 6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.422 -1.114 5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.047 -0.325 5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.040 -0.667 7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.818 -1.918 5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.762 -2.826 4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.239 -1.856 4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.135 -3.488 5.079 1.00 0.00 H new ATOM 81 N LYS A 10 3.611 -1.751 10.098 1.00 0.00 N ATOM 82 CA LYS A 10 4.722 -1.792 11.084 1.00 0.00 C ATOM 83 C LYS A 10 4.710 -2.975 12.108 1.00 0.00 C ATOM 84 O LYS A 10 5.639 -3.053 12.913 1.00 0.00 O ATOM 85 CB LYS A 10 4.870 -0.366 11.621 1.00 0.00 C ATOM 86 CG LYS A 10 3.786 0.248 12.482 1.00 0.00 C ATOM 87 CD LYS A 10 3.746 -0.401 13.854 1.00 0.00 C ATOM 88 CE LYS A 10 2.844 0.266 14.886 1.00 0.00 C ATOM 89 NZ LYS A 10 3.348 1.563 15.375 1.00 0.00 N ATOM 0 H LYS A 10 2.978 -0.962 10.228 1.00 0.00 H new ATOM 0 HA LYS A 10 5.655 -2.080 10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.795 -0.334 12.197 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.007 0.289 10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.963 1.318 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.819 0.132 11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.424 -1.436 13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.761 -0.427 14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.856 0.413 14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.720 -0.407 15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.682 1.954 16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.277 1.428 15.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.440 2.223 14.577 1.00 0.00 H new ATOM 90 N CYS A 11 3.682 -3.860 12.099 1.00 0.00 N ATOM 91 CA CYS A 11 3.733 -5.215 12.725 1.00 0.00 C ATOM 92 C CYS A 11 4.231 -6.246 11.649 1.00 0.00 C ATOM 93 O CYS A 11 5.123 -7.038 11.955 1.00 0.00 O ATOM 94 CB CYS A 11 2.337 -5.523 13.261 1.00 0.00 C ATOM 95 SG CYS A 11 2.196 -7.130 14.025 1.00 0.00 S ATOM 0 H CYS A 11 2.786 -3.657 11.655 1.00 0.00 H new ATOM 0 HA CYS A 11 4.433 -5.270 13.559 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.061 -4.760 13.989 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.621 -5.456 12.442 1.00 0.00 H new ATOM 96 N ALA A 12 3.699 -6.160 10.398 1.00 0.00 N ATOM 97 CA ALA A 12 4.330 -6.661 9.148 1.00 0.00 C ATOM 98 C ALA A 12 5.855 -6.458 9.002 1.00 0.00 C ATOM 99 O ALA A 12 6.561 -7.335 8.499 1.00 0.00 O ATOM 100 CB ALA A 12 3.495 -6.216 7.926 1.00 0.00 C ATOM 0 H ALA A 12 2.791 -5.726 10.229 1.00 0.00 H new ATOM 0 HA ALA A 12 4.298 -7.749 9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.961 -6.585 7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.486 -6.621 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.448 -5.127 7.895 1.00 0.00 H new ATOM 101 N ILE A 13 6.362 -5.341 9.508 1.00 0.00 N ATOM 102 CA ILE A 13 7.785 -5.047 9.631 1.00 0.00 C ATOM 103 C ILE A 13 8.041 -5.397 11.148 1.00 0.00 C ATOM 104 O ILE A 13 7.259 -4.960 12.000 1.00 0.00 O ATOM 105 CB ILE A 13 7.908 -3.524 9.302 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.286 -3.030 7.959 1.00 0.00 C ATOM 107 CG2 ILE A 13 9.333 -2.968 9.334 1.00 0.00 C ATOM 108 CD1 ILE A 13 7.487 -3.950 6.774 1.00 0.00 C ATOM 0 H ILE A 13 5.771 -4.586 9.857 1.00 0.00 H new ATOM 0 HA ILE A 13 8.491 -5.576 8.991 1.00 0.00 H new ATOM 0 HB ILE A 13 7.312 -3.137 10.128 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.216 -2.883 8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.711 -2.056 7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.314 -1.905 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.756 -3.107 10.329 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.946 -3.495 8.603 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.017 -3.515 5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.554 -4.079 6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.035 -4.919 6.985 1.00 0.00 H new ATOM 109 N PRO A 14 9.059 -6.174 11.575 1.00 0.00 N ATOM 110 CA PRO A 14 9.533 -6.203 13.039 1.00 0.00 C ATOM 111 C PRO A 14 10.313 -4.858 13.271 1.00 0.00 C ATOM 112 O PRO A 14 11.537 -4.737 13.176 1.00 0.00 O ATOM 113 CB PRO A 14 10.410 -7.463 13.059 1.00 0.00 C ATOM 114 CG PRO A 14 10.639 -7.845 11.580 1.00 0.00 C ATOM 115 CD PRO A 14 10.114 -6.697 10.717 1.00 0.00 C ATOM 0 HA PRO A 14 8.779 -6.256 13.824 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.357 -7.271 13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.919 -8.272 13.599 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.699 -8.014 11.388 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.120 -8.773 11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.882 -5.953 10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.733 -7.043 9.756 1.00 0.00 H new ATOM 116 N GLY A 15 9.438 -3.863 13.424 1.00 0.00 N ATOM 117 CA GLY A 15 9.578 -2.644 12.611 1.00 0.00 C ATOM 118 C GLY A 15 9.359 -1.285 13.236 1.00 0.00 C ATOM 119 O GLY A 15 9.428 -1.123 14.458 1.00 0.00 O ATOM 0 H GLY A 15 8.653 -3.868 14.075 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.584 -2.649 12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.884 -2.731 11.775 1.00 0.00 H new ATOM 120 N SER A 16 9.170 -0.281 12.342 1.00 0.00 N ATOM 121 CA SER A 16 9.166 1.152 12.780 1.00 0.00 C ATOM 122 C SER A 16 8.195 2.021 11.950 1.00 0.00 C ATOM 123 O SER A 16 7.005 2.017 12.269 1.00 0.00 O ATOM 124 CB SER A 16 10.624 1.671 12.890 1.00 0.00 C ATOM 125 OG SER A 16 10.664 2.977 13.455 1.00 0.00 O ATOM 0 H SER A 16 9.022 -0.422 11.343 1.00 0.00 H new ATOM 0 HA SER A 16 8.750 1.231 13.785 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.211 0.988 13.504 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.083 1.685 11.902 1.00 0.00 H new ATOM 0 HG SER A 16 11.594 3.279 13.515 1.00 0.00 H new ATOM 126 N HIS A 17 8.668 2.778 10.933 1.00 0.00 N ATOM 127 CA HIS A 17 7.796 3.583 10.032 1.00 0.00 C ATOM 128 C HIS A 17 7.081 2.600 9.050 1.00 0.00 C ATOM 129 O HIS A 17 7.785 1.927 8.290 1.00 0.00 O ATOM 130 CB HIS A 17 8.451 4.779 9.243 1.00 0.00 C ATOM 131 CG HIS A 17 9.937 4.711 9.021 1.00 0.00 C ATOM 132 ND1 HIS A 17 10.953 5.390 9.678 1.00 0.00 N ATOM 133 CD2 HIS A 17 10.423 3.711 8.212 1.00 0.00 C ATOM 134 CE1 HIS A 17 12.013 4.697 9.143 1.00 0.00 C ATOM 135 NE2 HIS A 17 11.788 3.671 8.262 1.00 0.00 N ATOM 0 H HIS A 17 9.661 2.851 10.710 1.00 0.00 H new ATOM 0 HA HIS A 17 7.107 4.103 10.697 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.965 4.851 8.270 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.229 5.702 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.810 3.048 7.619 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.024 4.961 9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.447 3.057 7.783 1.00 0.00 H new ATOM 136 N PRO A 18 5.733 2.459 9.012 1.00 0.00 N ATOM 137 CA PRO A 18 5.051 1.648 7.959 1.00 0.00 C ATOM 138 C PRO A 18 5.241 2.175 6.536 1.00 0.00 C ATOM 139 O PRO A 18 5.543 1.374 5.656 1.00 0.00 O ATOM 140 CB PRO A 18 3.583 1.586 8.372 1.00 0.00 C ATOM 141 CG PRO A 18 3.400 2.700 9.424 1.00 0.00 C ATOM 142 CD PRO A 18 4.789 3.085 9.947 1.00 0.00 C ATOM 0 HA PRO A 18 5.498 0.655 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.928 1.744 7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.334 0.610 8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.905 3.565 8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.767 2.353 10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.916 4.167 9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.942 2.724 10.964 1.00 0.00 H new ATOM 143 N LEU A 19 5.133 3.503 6.333 1.00 0.00 N ATOM 144 CA LEU A 19 5.651 4.178 5.140 1.00 0.00 C ATOM 145 C LEU A 19 7.166 4.274 5.185 1.00 0.00 C ATOM 146 O LEU A 19 7.772 3.233 5.398 1.00 0.00 O ATOM 147 CB LEU A 19 4.837 5.487 4.989 1.00 0.00 C ATOM 148 CG LEU A 19 3.703 5.289 4.016 1.00 0.00 C ATOM 149 CD1 LEU A 19 2.732 6.466 4.185 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.194 5.391 2.577 1.00 0.00 C ATOM 0 H LEU A 19 4.682 4.133 6.996 1.00 0.00 H new ATOM 0 HA LEU A 19 5.504 3.622 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.444 5.793 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.487 6.290 4.641 1.00 0.00 H new ATOM 0 HG LEU A 19 3.256 4.313 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.898 6.352 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.355 6.483 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.253 7.400 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.356 5.244 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.629 6.376 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.948 4.625 2.395 1.00 0.00 H new ATOM 151 N MET A 20 7.622 5.515 5.079 1.00 0.00 N ATOM 152 CA MET A 20 8.953 6.141 4.897 1.00 0.00 C ATOM 153 C MET A 20 10.235 5.338 4.643 1.00 0.00 C ATOM 154 O MET A 20 11.118 5.751 3.889 1.00 0.00 O ATOM 155 CB MET A 20 8.920 7.073 6.132 1.00 0.00 C ATOM 156 CG MET A 20 7.887 8.224 6.059 1.00 0.00 C ATOM 157 SD MET A 20 7.320 8.582 7.738 1.00 0.00 S ATOM 158 CE MET A 20 6.178 7.189 7.980 1.00 0.00 C ATOM 0 H MET A 20 6.931 6.263 5.128 1.00 0.00 H new ATOM 0 HA MET A 20 9.062 6.590 3.910 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.709 6.472 7.016 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.912 7.504 6.269 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.337 9.111 5.613 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.046 7.940 5.426 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.316 6.775 8.979 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.151 7.537 7.870 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.381 6.418 7.236 1.00 0.00 H new ATOM 159 N ASP A 21 10.180 4.120 5.151 1.00 0.00 N ATOM 160 CA ASP A 21 10.604 2.910 4.382 1.00 0.00 C ATOM 161 C ASP A 21 9.871 2.656 3.021 1.00 0.00 C ATOM 162 O ASP A 21 10.299 1.747 2.305 1.00 0.00 O ATOM 163 CB ASP A 21 10.631 1.667 5.303 1.00 0.00 C ATOM 164 CG ASP A 21 11.363 0.440 4.748 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.572 0.421 4.519 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.517 -0.616 4.526 1.00 0.00 O ATOM 0 H ASP A 21 9.848 3.917 6.094 1.00 0.00 H new ATOM 0 HA ASP A 21 11.619 3.126 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.097 1.948 6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.603 1.382 5.527 1.00 0.00 H new ATOM 167 N PHE A 22 8.828 3.420 2.637 1.00 0.00 N ATOM 168 CA PHE A 22 8.072 3.179 1.402 1.00 0.00 C ATOM 169 C PHE A 22 7.714 4.521 0.699 1.00 0.00 C ATOM 170 O PHE A 22 7.782 4.534 -0.531 1.00 0.00 O ATOM 171 CB PHE A 22 6.875 2.281 1.731 1.00 0.00 C ATOM 172 CG PHE A 22 7.221 0.833 2.152 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.289 -0.205 1.213 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.344 0.508 3.514 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.356 -1.530 1.631 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.238 -0.814 3.933 1.00 0.00 C ATOM 177 CZ PHE A 22 7.301 -1.827 2.988 1.00 0.00 C ATOM 0 H PHE A 22 8.491 4.218 3.176 1.00 0.00 H new ATOM 0 HA PHE A 22 8.675 2.644 0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.304 2.747 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.223 2.241 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.289 0.025 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.522 1.289 4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.450 -2.324 0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.108 -1.048 4.979 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.307 -2.858 3.310 1.00 0.00 H new ATOM 178 N ASN A 23 7.363 5.635 1.402 1.00 0.00 N ATOM 179 CA ASN A 23 7.088 6.984 0.755 1.00 0.00 C ATOM 180 C ASN A 23 8.020 7.399 -0.446 1.00 0.00 C ATOM 181 O ASN A 23 7.573 7.830 -1.509 1.00 0.00 O ATOM 182 CB ASN A 23 7.174 8.035 1.911 1.00 0.00 C ATOM 183 CG ASN A 23 6.978 9.519 1.588 1.00 0.00 C ATOM 184 OD1 ASN A 23 6.609 9.928 0.489 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.253 10.379 2.555 1.00 0.00 N ATOM 0 H ASN A 23 7.260 5.642 2.417 1.00 0.00 H new ATOM 0 HA ASN A 23 6.109 6.927 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.430 7.761 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.152 7.928 2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.159 11.381 2.388 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.559 10.040 3.467 1.00 0.00 H new ATOM 186 N ASN A 24 9.299 7.229 -0.154 1.00 0.00 N ATOM 187 CA ASN A 24 10.442 7.517 -1.039 1.00 0.00 C ATOM 188 C ASN A 24 11.074 6.278 -1.773 1.00 0.00 C ATOM 189 O ASN A 24 11.740 6.472 -2.793 1.00 0.00 O ATOM 190 CB ASN A 24 11.554 8.156 -0.154 1.00 0.00 C ATOM 191 CG ASN A 24 11.322 9.597 0.316 1.00 0.00 C ATOM 192 OD1 ASN A 24 10.323 10.251 0.010 1.00 0.00 O ATOM 193 ND2 ASN A 24 12.258 10.127 1.083 1.00 0.00 N ATOM 0 H ASN A 24 9.596 6.868 0.753 1.00 0.00 H new ATOM 0 HA ASN A 24 10.059 8.163 -1.829 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.689 7.529 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.490 8.127 -0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.156 11.082 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.082 9.581 1.333 1.00 0.00 H new ATOM 194 N TYR A 25 10.880 5.060 -1.246 1.00 0.00 N ATOM 195 CA TYR A 25 11.470 3.796 -1.759 1.00 0.00 C ATOM 196 C TYR A 25 10.991 3.460 -3.189 1.00 0.00 C ATOM 197 O TYR A 25 9.785 3.415 -3.449 1.00 0.00 O ATOM 198 CB TYR A 25 11.007 2.724 -0.763 1.00 0.00 C ATOM 199 CG TYR A 25 11.845 1.468 -0.691 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.618 0.416 -1.584 1.00 0.00 C ATOM 201 CD2 TYR A 25 12.696 1.266 0.403 1.00 0.00 C ATOM 202 CE1 TYR A 25 12.152 -0.838 -1.327 1.00 0.00 C ATOM 203 CE2 TYR A 25 13.225 0.008 0.664 1.00 0.00 C ATOM 204 CZ TYR A 25 12.876 -1.063 -0.158 1.00 0.00 C ATOM 205 OH TYR A 25 13.082 -2.342 0.246 1.00 0.00 O ATOM 0 H TYR A 25 10.292 4.913 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 25 12.555 3.866 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.975 3.171 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.986 2.440 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.027 0.580 -2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.943 2.095 1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.006 -1.641 -2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.899 -0.139 1.495 1.00 0.00 H new ATOM 0 HH TYR A 25 12.496 -2.544 1.005 1.00 0.00 H new ATOM 206 N GLY A 26 11.973 3.286 -4.088 1.00 0.00 N ATOM 207 CA GLY A 26 11.800 3.366 -5.563 1.00 0.00 C ATOM 208 C GLY A 26 11.115 4.694 -5.922 1.00 0.00 C ATOM 209 O GLY A 26 11.691 5.775 -5.785 1.00 0.00 O ATOM 0 H GLY A 26 12.933 3.081 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.768 3.297 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.201 2.527 -5.917 1.00 0.00 H new ATOM 210 N CYS A 27 9.833 4.532 -6.231 1.00 0.00 N ATOM 211 CA CYS A 27 8.801 5.538 -5.914 1.00 0.00 C ATOM 212 C CYS A 27 7.428 4.815 -5.759 1.00 0.00 C ATOM 213 O CYS A 27 7.242 3.641 -6.101 1.00 0.00 O ATOM 214 CB CYS A 27 8.721 6.718 -6.875 1.00 0.00 C ATOM 215 SG CYS A 27 10.029 7.886 -6.595 1.00 0.00 S ATOM 0 H CYS A 27 9.471 3.706 -6.707 1.00 0.00 H new ATOM 0 HA CYS A 27 9.095 6.005 -4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.771 6.355 -7.902 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.758 7.216 -6.760 1.00 0.00 H new ATOM 216 N TYR A 28 6.448 5.578 -5.247 1.00 0.00 N ATOM 217 CA TYR A 28 5.017 5.180 -5.217 1.00 0.00 C ATOM 218 C TYR A 28 4.578 4.241 -4.067 1.00 0.00 C ATOM 219 O TYR A 28 3.372 4.002 -3.948 1.00 0.00 O ATOM 220 CB TYR A 28 4.341 4.716 -6.556 1.00 0.00 C ATOM 221 CG TYR A 28 5.036 4.993 -7.884 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.532 6.267 -8.219 1.00 0.00 C ATOM 223 CD2 TYR A 28 5.355 3.917 -8.706 1.00 0.00 C ATOM 224 CE1 TYR A 28 6.332 6.451 -9.345 1.00 0.00 C ATOM 225 CE2 TYR A 28 6.184 4.096 -9.807 1.00 0.00 C ATOM 226 CZ TYR A 28 6.676 5.360 -10.132 1.00 0.00 C ATOM 227 OH TYR A 28 7.514 5.540 -11.191 1.00 0.00 O ATOM 0 H TYR A 28 6.620 6.496 -4.838 1.00 0.00 H new ATOM 0 HA TYR A 28 4.626 6.176 -5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.186 3.639 -6.487 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.355 5.178 -6.601 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.289 7.114 -7.594 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.956 2.937 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.683 7.439 -9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.450 3.246 -10.418 1.00 0.00 H new ATOM 0 HH TYR A 28 7.548 4.719 -11.724 1.00 0.00 H new ATOM 228 N CYS A 29 5.503 3.682 -3.256 1.00 0.00 N ATOM 229 CA CYS A 29 5.132 2.689 -2.229 1.00 0.00 C ATOM 230 C CYS A 29 4.404 3.367 -1.061 1.00 0.00 C ATOM 231 O CYS A 29 5.016 4.006 -0.210 1.00 0.00 O ATOM 232 CB CYS A 29 6.335 1.867 -1.762 1.00 0.00 C ATOM 233 SG CYS A 29 7.093 0.968 -3.089 1.00 0.00 S ATOM 0 H CYS A 29 6.499 3.899 -3.293 1.00 0.00 H new ATOM 0 HA CYS A 29 4.441 1.980 -2.684 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.071 2.531 -1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.016 1.168 -0.988 1.00 0.00 H new ATOM 234 N GLY A 30 3.072 3.284 -1.085 1.00 0.00 N ATOM 235 CA GLY A 30 2.246 3.921 -0.071 1.00 0.00 C ATOM 236 C GLY A 30 1.969 5.398 -0.312 1.00 0.00 C ATOM 237 O GLY A 30 0.805 5.723 -0.566 1.00 0.00 O ATOM 0 H GLY A 30 2.547 2.780 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.295 3.392 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.733 3.810 0.898 1.00 0.00 H new ATOM 238 N LEU A 31 2.978 6.303 -0.216 1.00 0.00 N ATOM 239 CA LEU A 31 2.706 7.740 -0.149 1.00 0.00 C ATOM 240 C LEU A 31 3.062 8.426 -1.420 1.00 0.00 C ATOM 241 O LEU A 31 2.211 8.915 -2.174 1.00 0.00 O ATOM 242 CB LEU A 31 3.043 8.331 1.228 1.00 0.00 C ATOM 243 CG LEU A 31 3.269 9.836 1.358 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.120 10.740 0.914 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.668 10.189 2.805 1.00 0.00 C ATOM 0 H LEU A 31 3.967 6.056 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 31 1.639 7.964 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.235 8.061 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.943 7.832 1.588 1.00 0.00 H new ATOM 0 HG LEU A 31 4.073 10.043 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.402 11.783 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.903 10.562 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.233 10.520 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.827 11.264 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.872 9.887 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.588 9.666 3.067 1.00 0.00 H new ATOM 246 N GLY A 32 4.372 8.531 -1.553 1.00 0.00 N ATOM 247 CA GLY A 32 4.891 9.560 -2.445 1.00 0.00 C ATOM 248 C GLY A 32 4.870 9.216 -3.948 1.00 0.00 C ATOM 249 O GLY A 32 5.494 8.227 -4.324 1.00 0.00 O ATOM 0 H GLY A 32 5.068 7.951 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.314 10.472 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.919 9.781 -2.156 1.00 0.00 H new ATOM 250 N GLY A 33 4.175 10.000 -4.797 1.00 0.00 N ATOM 251 CA GLY A 33 4.228 9.836 -6.275 1.00 0.00 C ATOM 252 C GLY A 33 3.224 8.881 -6.957 1.00 0.00 C ATOM 253 O GLY A 33 2.296 8.385 -6.318 1.00 0.00 O ATOM 0 H GLY A 33 3.566 10.758 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.099 10.822 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.232 9.498 -6.533 1.00 0.00 H new ATOM 254 N SER A 34 3.403 8.675 -8.287 1.00 0.00 N ATOM 255 CA SER A 34 2.577 7.719 -9.097 1.00 0.00 C ATOM 256 C SER A 34 3.171 7.522 -10.535 1.00 0.00 C ATOM 257 O SER A 34 3.579 8.493 -11.180 1.00 0.00 O ATOM 258 CB SER A 34 1.096 8.160 -9.219 1.00 0.00 C ATOM 259 OG SER A 34 0.301 7.132 -9.807 1.00 0.00 O ATOM 0 H SER A 34 4.116 9.159 -8.832 1.00 0.00 H new ATOM 0 HA SER A 34 2.608 6.774 -8.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.704 8.407 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.031 9.065 -9.823 1.00 0.00 H new ATOM 0 HG SER A 34 0.023 6.497 -9.114 1.00 0.00 H new ATOM 260 N GLY A 35 3.179 6.261 -11.021 1.00 0.00 N ATOM 261 CA GLY A 35 3.666 5.941 -12.379 1.00 0.00 C ATOM 262 C GLY A 35 3.793 4.425 -12.647 1.00 0.00 C ATOM 263 O GLY A 35 2.806 3.689 -12.576 1.00 0.00 O ATOM 0 H GLY A 35 2.854 5.451 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.986 6.376 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.638 6.411 -12.528 1.00 0.00 H new ATOM 264 N THR A 36 5.014 4.005 -13.013 1.00 0.00 N ATOM 265 CA THR A 36 5.389 2.599 -13.277 1.00 0.00 C ATOM 266 C THR A 36 6.866 2.401 -12.736 1.00 0.00 C ATOM 267 O THR A 36 7.692 3.314 -12.840 1.00 0.00 O ATOM 268 CB THR A 36 5.206 2.114 -14.739 1.00 0.00 C ATOM 269 OG1 THR A 36 4.709 3.117 -15.629 1.00 0.00 O ATOM 270 CG2 THR A 36 4.226 0.937 -14.755 1.00 0.00 C ATOM 0 H THR A 36 5.794 4.650 -13.138 1.00 0.00 H new ATOM 0 HA THR A 36 4.687 1.956 -12.747 1.00 0.00 H new ATOM 0 HB THR A 36 6.198 1.834 -15.092 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.621 2.741 -16.530 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.091 0.590 -15.779 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.623 0.125 -14.146 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.266 1.258 -14.351 1.00 0.00 H new ATOM 271 N PRO A 37 7.226 1.251 -12.124 1.00 0.00 N ATOM 272 CA PRO A 37 8.235 1.209 -11.015 1.00 0.00 C ATOM 273 C PRO A 37 9.664 0.737 -11.329 1.00 0.00 C ATOM 274 O PRO A 37 10.160 0.895 -12.447 1.00 0.00 O ATOM 275 CB PRO A 37 7.424 0.200 -10.133 1.00 0.00 C ATOM 276 CG PRO A 37 7.066 -0.902 -11.151 1.00 0.00 C ATOM 277 CD PRO A 37 6.498 -0.026 -12.270 1.00 0.00 C ATOM 0 HA PRO A 37 8.511 2.184 -10.613 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.018 -0.187 -9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.535 0.660 -9.700 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.935 -1.479 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.336 -1.612 -10.762 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.665 -0.472 -13.251 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.422 0.113 -12.162 1.00 0.00 H new ATOM 278 N VAL A 38 10.288 0.152 -10.281 1.00 0.00 N ATOM 279 CA VAL A 38 11.679 -0.314 -10.281 1.00 0.00 C ATOM 280 C VAL A 38 11.798 -1.825 -9.854 1.00 0.00 C ATOM 281 O VAL A 38 12.283 -2.668 -10.610 1.00 0.00 O ATOM 282 CB VAL A 38 12.627 0.684 -9.496 1.00 0.00 C ATOM 283 CG1 VAL A 38 12.096 2.140 -9.299 1.00 0.00 C ATOM 284 CG2 VAL A 38 13.039 0.307 -8.046 1.00 0.00 C ATOM 0 H VAL A 38 9.818 -0.010 -9.391 1.00 0.00 H new ATOM 0 HA VAL A 38 12.046 -0.298 -11.307 1.00 0.00 H new ATOM 0 HB VAL A 38 13.461 0.610 -10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.833 2.725 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.922 2.599 -10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.162 2.114 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.687 1.083 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.147 0.216 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.573 -0.643 -8.055 1.00 0.00 H new ATOM 285 N ASP A 39 11.354 -2.080 -8.623 1.00 0.00 N ATOM 286 CA ASP A 39 11.453 -3.388 -7.914 1.00 0.00 C ATOM 287 C ASP A 39 10.212 -4.255 -8.129 1.00 0.00 C ATOM 288 O ASP A 39 9.162 -3.738 -8.521 1.00 0.00 O ATOM 289 CB ASP A 39 11.780 -3.042 -6.434 1.00 0.00 C ATOM 290 CG ASP A 39 12.427 -4.125 -5.568 1.00 0.00 C ATOM 291 OD1 ASP A 39 12.662 -5.276 -5.935 1.00 0.00 O ATOM 292 OD2 ASP A 39 12.727 -3.650 -4.318 1.00 0.00 O ATOM 0 H ASP A 39 10.896 -1.365 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 39 12.246 -4.021 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.440 -2.175 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.852 -2.737 -5.950 1.00 0.00 H new ATOM 293 N GLU A 40 10.299 -5.586 -7.807 1.00 0.00 N ATOM 294 CA GLU A 40 9.069 -6.347 -7.415 1.00 0.00 C ATOM 295 C GLU A 40 8.300 -5.560 -6.320 1.00 0.00 C ATOM 296 O GLU A 40 7.089 -5.367 -6.412 1.00 0.00 O ATOM 297 CB GLU A 40 9.245 -7.719 -6.733 1.00 0.00 C ATOM 298 CG GLU A 40 7.958 -8.564 -6.679 1.00 0.00 C ATOM 299 CD GLU A 40 6.762 -8.236 -5.798 1.00 0.00 C ATOM 300 OE1 GLU A 40 6.838 -7.709 -4.692 1.00 0.00 O ATOM 301 OE2 GLU A 40 5.577 -8.601 -6.386 1.00 0.00 O ATOM 0 H GLU A 40 11.162 -6.129 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 40 8.588 -6.484 -8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.014 -8.281 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.608 -7.564 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.580 -8.609 -7.701 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.268 -9.573 -6.409 1.00 0.00 H new ATOM 302 N LEU A 41 9.044 -5.153 -5.280 1.00 0.00 N ATOM 303 CA LEU A 41 8.493 -4.392 -4.185 1.00 0.00 C ATOM 304 C LEU A 41 7.807 -3.068 -4.547 1.00 0.00 C ATOM 305 O LEU A 41 6.790 -2.722 -3.946 1.00 0.00 O ATOM 306 CB LEU A 41 9.609 -4.424 -3.143 1.00 0.00 C ATOM 307 CG LEU A 41 9.254 -4.305 -1.670 1.00 0.00 C ATOM 308 CD1 LEU A 41 9.700 -3.022 -1.023 1.00 0.00 C ATOM 309 CD2 LEU A 41 7.863 -4.845 -1.432 1.00 0.00 C ATOM 0 H LEU A 41 10.041 -5.350 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 41 7.586 -4.821 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.153 -5.359 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.301 -3.616 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 41 9.874 -4.967 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.405 -3.022 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.784 -2.936 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.234 -2.177 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.615 -4.757 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.145 -4.275 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.824 -5.893 -1.728 1.00 0.00 H new ATOM 310 N ASP A 42 8.324 -2.407 -5.599 1.00 0.00 N ATOM 311 CA ASP A 42 7.664 -1.291 -6.290 1.00 0.00 C ATOM 312 C ASP A 42 6.545 -1.654 -7.325 1.00 0.00 C ATOM 313 O ASP A 42 5.872 -0.750 -7.815 1.00 0.00 O ATOM 314 CB ASP A 42 8.710 -0.312 -6.847 1.00 0.00 C ATOM 315 CG ASP A 42 9.563 0.366 -5.776 1.00 0.00 C ATOM 316 OD1 ASP A 42 8.968 1.501 -5.300 1.00 0.00 O ATOM 317 OD2 ASP A 42 10.638 -0.074 -5.372 1.00 0.00 O ATOM 0 H ASP A 42 9.233 -2.641 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 42 7.081 -0.794 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.366 -0.849 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.200 0.455 -7.429 1.00 0.00 H new ATOM 318 N ARG A 43 6.285 -2.930 -7.622 1.00 0.00 N ATOM 319 CA ARG A 43 5.114 -3.364 -8.427 1.00 0.00 C ATOM 320 C ARG A 43 3.799 -3.334 -7.587 1.00 0.00 C ATOM 321 O ARG A 43 2.799 -2.838 -8.104 1.00 0.00 O ATOM 322 CB ARG A 43 5.214 -4.840 -8.874 1.00 0.00 C ATOM 323 CG ARG A 43 6.450 -5.263 -9.620 1.00 0.00 C ATOM 324 CD ARG A 43 6.890 -4.469 -10.820 1.00 0.00 C ATOM 325 NE ARG A 43 5.765 -4.132 -11.692 1.00 0.00 N ATOM 326 CZ ARG A 43 5.882 -3.732 -12.972 1.00 0.00 C ATOM 327 NH1 ARG A 43 7.043 -3.590 -13.608 1.00 0.00 N ATOM 328 NH2 ARG A 43 4.777 -3.462 -13.637 1.00 0.00 N ATOM 0 H ARG A 43 6.876 -3.703 -7.315 1.00 0.00 H new ATOM 0 HA ARG A 43 5.103 -2.676 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.128 -5.466 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.351 -5.059 -9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.276 -5.269 -8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.301 -6.293 -9.944 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.381 -3.553 -10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.628 -5.041 -11.383 1.00 0.00 H new ATOM 0 HE ARG A 43 4.825 -4.205 -11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.918 -3.789 -13.123 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.058 -3.282 -14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.870 -3.559 -13.180 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.828 -3.156 -14.609 1.00 0.00 H new ATOM 329 N CYS A 44 3.786 -3.854 -6.320 1.00 0.00 N ATOM 330 CA CYS A 44 2.660 -3.550 -5.398 1.00 0.00 C ATOM 331 C CYS A 44 2.666 -2.064 -4.842 1.00 0.00 C ATOM 332 O CYS A 44 2.007 -1.768 -3.856 1.00 0.00 O ATOM 333 CB CYS A 44 2.653 -4.534 -4.226 1.00 0.00 C ATOM 334 SG CYS A 44 3.024 -6.226 -4.695 1.00 0.00 S ATOM 0 H CYS A 44 4.511 -4.458 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 44 1.753 -3.657 -5.993 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.381 -4.205 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.674 -4.506 -3.747 1.00 0.00 H new ATOM 335 N CYS A 45 3.489 -1.198 -5.430 1.00 0.00 N ATOM 336 CA CYS A 45 3.442 0.254 -5.341 1.00 0.00 C ATOM 337 C CYS A 45 2.770 0.864 -6.583 1.00 0.00 C ATOM 338 O CYS A 45 1.969 1.770 -6.372 1.00 0.00 O ATOM 339 CB CYS A 45 4.861 0.760 -5.165 1.00 0.00 C ATOM 340 SG CYS A 45 5.634 -0.135 -3.815 1.00 0.00 S ATOM 0 H CYS A 45 4.257 -1.517 -6.020 1.00 0.00 H new ATOM 0 HA CYS A 45 2.839 0.558 -4.486 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.428 0.619 -6.085 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.856 1.829 -4.955 1.00 0.00 H new ATOM 341 N GLU A 46 3.062 0.435 -7.856 1.00 0.00 N ATOM 342 CA GLU A 46 2.286 0.939 -9.026 1.00 0.00 C ATOM 343 C GLU A 46 0.791 0.502 -9.004 1.00 0.00 C ATOM 344 O GLU A 46 -0.046 1.256 -9.484 1.00 0.00 O ATOM 345 CB GLU A 46 3.005 0.593 -10.353 1.00 0.00 C ATOM 346 CG GLU A 46 2.876 -0.845 -10.868 1.00 0.00 C ATOM 347 CD GLU A 46 2.018 -1.019 -12.113 1.00 0.00 C ATOM 348 OE1 GLU A 46 0.677 -0.936 -11.841 1.00 0.00 O ATOM 349 OE2 GLU A 46 2.482 -1.229 -13.232 1.00 0.00 O ATOM 0 H GLU A 46 3.799 -0.231 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 46 2.254 2.026 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.628 1.263 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.065 0.813 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.874 -1.228 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.460 -1.462 -10.072 1.00 0.00 H new ATOM 350 N THR A 47 0.511 -0.702 -8.476 1.00 0.00 N ATOM 351 CA THR A 47 -0.840 -1.241 -8.233 1.00 0.00 C ATOM 352 C THR A 47 -1.356 -0.968 -6.790 1.00 0.00 C ATOM 353 O THR A 47 -2.576 -0.990 -6.648 1.00 0.00 O ATOM 354 CB THR A 47 -0.741 -2.764 -8.548 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.452 -2.954 -9.934 1.00 0.00 O ATOM 356 CG2 THR A 47 -1.989 -3.588 -8.247 1.00 0.00 C ATOM 0 H THR A 47 1.246 -1.351 -8.196 1.00 0.00 H new ATOM 0 HA THR A 47 -1.575 -0.746 -8.868 1.00 0.00 H new ATOM 0 HB THR A 47 0.048 -3.117 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.199 -2.097 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.807 -4.631 -8.504 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.228 -3.512 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.825 -3.210 -8.835 1.00 0.00 H new ATOM 357 N HIS A 48 -0.550 -0.713 -5.729 1.00 0.00 N ATOM 358 CA HIS A 48 -1.111 -0.013 -4.513 1.00 0.00 C ATOM 359 C HIS A 48 -1.016 1.539 -4.768 1.00 0.00 C ATOM 360 O HIS A 48 -0.268 2.291 -4.143 1.00 0.00 O ATOM 361 CB HIS A 48 -0.485 -0.505 -3.201 1.00 0.00 C ATOM 362 CG HIS A 48 -1.459 -0.397 -2.011 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.343 0.556 -0.998 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.587 -1.215 -1.782 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.437 0.217 -0.264 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.302 -0.715 -0.729 1.00 0.00 N ATOM 0 H HIS A 48 0.438 -0.959 -5.673 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.162 -0.265 -4.373 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.171 -1.542 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.411 0.077 -2.988 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.845 -2.097 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.616 0.691 0.690 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.229 -0.972 -0.389 1.00 0.00 H new ATOM 367 N ASP A 49 -1.852 1.898 -5.744 1.00 0.00 N ATOM 368 CA ASP A 49 -1.919 3.143 -6.506 1.00 0.00 C ATOM 369 C ASP A 49 -2.980 2.753 -7.608 1.00 0.00 C ATOM 370 O ASP A 49 -4.035 3.368 -7.596 1.00 0.00 O ATOM 371 CB ASP A 49 -0.628 3.534 -7.238 1.00 0.00 C ATOM 372 CG ASP A 49 0.252 4.523 -6.511 1.00 0.00 C ATOM 373 OD1 ASP A 49 1.078 4.192 -5.668 1.00 0.00 O ATOM 374 OD2 ASP A 49 0.018 5.818 -6.898 1.00 0.00 O ATOM 0 H ASP A 49 -2.578 1.251 -6.052 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.134 3.988 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.050 2.630 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.893 3.953 -8.209 1.00 0.00 H new ATOM 375 N ASN A 50 -2.727 1.772 -8.524 1.00 0.00 N ATOM 376 CA ASN A 50 -3.677 1.416 -9.608 1.00 0.00 C ATOM 377 C ASN A 50 -4.912 0.557 -9.231 1.00 0.00 C ATOM 378 O ASN A 50 -5.976 0.729 -9.834 1.00 0.00 O ATOM 379 CB ASN A 50 -3.017 1.002 -10.939 1.00 0.00 C ATOM 380 CG ASN A 50 -2.175 2.107 -11.607 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.500 3.294 -11.565 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.067 1.752 -12.230 1.00 0.00 N ATOM 0 H ASN A 50 -1.871 1.217 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.131 2.390 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.380 0.136 -10.760 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.796 0.687 -11.633 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.483 2.460 -12.675 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.795 0.770 -12.267 1.00 0.00 H new ATOM 383 N CYS A 51 -4.782 -0.331 -8.248 1.00 0.00 N ATOM 384 CA CYS A 51 -5.931 -0.814 -7.459 1.00 0.00 C ATOM 385 C CYS A 51 -6.228 0.083 -6.206 1.00 0.00 C ATOM 386 O CYS A 51 -7.307 -0.115 -5.638 1.00 0.00 O ATOM 387 CB CYS A 51 -5.658 -2.261 -6.986 1.00 0.00 C ATOM 388 SG CYS A 51 -7.060 -2.871 -6.024 1.00 0.00 S ATOM 0 H CYS A 51 -3.889 -0.738 -7.971 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.805 -0.772 -8.109 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.488 -2.908 -7.847 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.751 -2.290 -6.382 1.00 0.00 H new ATOM 389 N TYR A 52 -5.351 1.049 -5.765 1.00 0.00 N ATOM 390 CA TYR A 52 -5.623 1.761 -4.464 1.00 0.00 C ATOM 391 C TYR A 52 -6.589 2.932 -4.636 1.00 0.00 C ATOM 392 O TYR A 52 -7.505 3.118 -3.829 1.00 0.00 O ATOM 393 CB TYR A 52 -4.376 2.261 -3.703 1.00 0.00 C ATOM 394 CG TYR A 52 -4.487 2.525 -2.199 1.00 0.00 C ATOM 395 CD1 TYR A 52 -5.576 2.051 -1.465 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.452 3.199 -1.509 1.00 0.00 C ATOM 397 CE1 TYR A 52 -5.595 2.162 -0.093 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.517 3.364 -0.119 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.589 2.815 0.584 1.00 0.00 C ATOM 400 OH TYR A 52 -4.646 2.822 1.936 1.00 0.00 O ATOM 0 H TYR A 52 -4.504 1.338 -6.254 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.073 0.979 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.583 1.529 -3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.049 3.186 -4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.410 1.594 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.607 3.589 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.414 1.729 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.745 3.911 0.402 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.578 1.904 2.271 1.00 0.00 H new ATOM 401 N ARG A 53 -6.363 3.701 -5.699 1.00 0.00 N ATOM 402 CA ARG A 53 -7.334 4.628 -6.223 1.00 0.00 C ATOM 403 C ARG A 53 -8.777 4.089 -6.415 1.00 0.00 C ATOM 404 O ARG A 53 -9.733 4.833 -6.210 1.00 0.00 O ATOM 405 CB ARG A 53 -6.607 5.224 -7.448 1.00 0.00 C ATOM 406 CG ARG A 53 -7.251 4.882 -8.751 1.00 0.00 C ATOM 407 CD ARG A 53 -6.860 3.602 -9.389 1.00 0.00 C ATOM 408 NE ARG A 53 -5.950 3.889 -10.504 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.273 3.785 -11.808 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.465 3.400 -12.258 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.351 4.087 -12.700 1.00 0.00 N ATOM 0 H ARG A 53 -5.486 3.689 -6.219 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.611 5.406 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.569 6.308 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.577 4.868 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.330 4.867 -8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.038 5.688 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.373 2.951 -8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.743 3.074 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.003 4.190 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.206 3.160 -11.599 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.638 3.345 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.426 4.389 -12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.563 4.019 -13.695 1.00 0.00 H new ATOM 412 N ASP A 54 -8.842 2.848 -6.928 1.00 0.00 N ATOM 413 CA ASP A 54 -9.963 2.341 -7.757 1.00 0.00 C ATOM 414 C ASP A 54 -11.352 2.136 -7.108 1.00 0.00 C ATOM 415 O ASP A 54 -12.290 1.689 -7.749 1.00 0.00 O ATOM 416 CB ASP A 54 -9.473 1.012 -8.360 1.00 0.00 C ATOM 417 CG ASP A 54 -10.084 0.611 -9.694 1.00 0.00 C ATOM 418 OD1 ASP A 54 -9.431 1.179 -10.757 1.00 0.00 O ATOM 419 OD2 ASP A 54 -11.057 -0.137 -9.798 1.00 0.00 O ATOM 0 H ASP A 54 -8.109 2.154 -6.779 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.177 3.137 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.392 1.070 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.670 0.217 -7.641 1.00 0.00 H new ATOM 420 N ALA A 55 -11.420 2.498 -5.838 1.00 0.00 N ATOM 421 CA ALA A 55 -12.646 2.845 -5.088 1.00 0.00 C ATOM 422 C ALA A 55 -13.595 3.821 -5.870 1.00 0.00 C ATOM 423 O ALA A 55 -14.790 3.560 -5.987 1.00 0.00 O ATOM 424 CB ALA A 55 -12.101 3.493 -3.801 1.00 0.00 C ATOM 0 H ALA A 55 -10.583 2.566 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.272 1.972 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.933 3.792 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.476 2.776 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.508 4.370 -4.058 1.00 0.00 H new ATOM 425 N LYS A 56 -12.993 4.899 -6.412 1.00 0.00 N ATOM 426 CA LYS A 56 -13.374 5.585 -7.654 1.00 0.00 C ATOM 427 C LYS A 56 -14.289 4.925 -8.705 1.00 0.00 C ATOM 428 O LYS A 56 -15.311 5.479 -9.105 1.00 0.00 O ATOM 429 CB LYS A 56 -11.891 5.707 -8.157 1.00 0.00 C ATOM 430 CG LYS A 56 -11.703 6.364 -9.522 1.00 0.00 C ATOM 431 CD LYS A 56 -10.209 6.262 -9.754 1.00 0.00 C ATOM 432 CE LYS A 56 -9.474 6.579 -11.041 1.00 0.00 C ATOM 433 NZ LYS A 56 -9.832 7.844 -11.705 1.00 0.00 N ATOM 0 H LYS A 56 -12.185 5.334 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.018 6.448 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.323 6.275 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.456 4.708 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.267 5.847 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.040 7.401 -9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.751 6.894 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.946 5.232 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.405 6.595 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.647 5.764 -11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.267 7.953 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.843 7.834 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.639 8.640 -11.064 1.00 0.00 H new ATOM 434 N ASN A 57 -13.797 3.776 -9.174 1.00 0.00 N ATOM 435 CA ASN A 57 -14.264 3.058 -10.374 1.00 0.00 C ATOM 436 C ASN A 57 -15.087 1.831 -9.947 1.00 0.00 C ATOM 437 O ASN A 57 -16.306 1.837 -10.131 1.00 0.00 O ATOM 438 CB ASN A 57 -12.947 2.800 -11.159 1.00 0.00 C ATOM 439 CG ASN A 57 -13.072 2.085 -12.495 1.00 0.00 C ATOM 440 OD1 ASN A 57 -14.061 2.206 -13.219 1.00 0.00 O ATOM 441 ND2 ASN A 57 -12.043 1.353 -12.875 1.00 0.00 N ATOM 0 H ASN A 57 -13.027 3.294 -8.710 1.00 0.00 H new ATOM 0 HA ASN A 57 -14.961 3.587 -11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.462 3.760 -11.332 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.281 2.217 -10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.060 0.879 -13.778 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.230 1.261 -12.266 1.00 0.00 H new ATOM 442 N LEU A 58 -14.402 0.821 -9.369 1.00 0.00 N ATOM 443 CA LEU A 58 -15.013 -0.323 -8.664 1.00 0.00 C ATOM 444 C LEU A 58 -16.005 -1.206 -9.392 1.00 0.00 C ATOM 445 O LEU A 58 -16.690 -0.857 -10.357 1.00 0.00 O ATOM 446 CB LEU A 58 -15.220 0.145 -7.226 1.00 0.00 C ATOM 447 CG LEU A 58 -15.434 -0.767 -6.042 1.00 0.00 C ATOM 448 CD1 LEU A 58 -14.309 -1.746 -5.941 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.435 0.057 -4.744 1.00 0.00 C ATOM 0 H LEU A 58 -13.383 0.779 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.356 -1.192 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.350 0.755 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.081 0.813 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.385 -1.283 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.472 -2.400 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.265 -2.344 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.369 -1.209 -5.814 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.590 -0.606 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.478 0.568 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.238 0.793 -4.781 1.00 0.00 H new ATOM 450 N ASP A 59 -16.031 -2.423 -8.851 1.00 0.00 N ATOM 451 CA ASP A 59 -17.090 -3.408 -9.084 1.00 0.00 C ATOM 452 C ASP A 59 -18.480 -2.939 -8.556 1.00 0.00 C ATOM 453 O ASP A 59 -19.494 -3.505 -8.971 1.00 0.00 O ATOM 454 CB ASP A 59 -16.671 -4.581 -8.127 1.00 0.00 C ATOM 455 CG ASP A 59 -15.683 -5.572 -8.725 1.00 0.00 C ATOM 456 OD1 ASP A 59 -14.380 -5.199 -8.514 1.00 0.00 O ATOM 457 OD2 ASP A 59 -16.025 -6.588 -9.328 1.00 0.00 O ATOM 0 H ASP A 59 -15.301 -2.761 -8.224 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.184 -3.626 -10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.235 -4.155 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.568 -5.122 -7.824 1.00 0.00 H new ATOM 458 N SER A 60 -18.504 -1.991 -7.602 1.00 0.00 N ATOM 459 CA SER A 60 -19.675 -1.689 -6.798 1.00 0.00 C ATOM 460 C SER A 60 -19.737 -0.180 -6.610 1.00 0.00 C ATOM 461 O SER A 60 -20.871 0.301 -6.506 1.00 0.00 O ATOM 462 CB SER A 60 -19.479 -2.435 -5.455 1.00 0.00 C ATOM 463 OG SER A 60 -20.723 -2.825 -4.895 1.00 0.00 O ATOM 0 H SER A 60 -17.695 -1.413 -7.374 1.00 0.00 H new ATOM 0 HA SER A 60 -20.612 -2.006 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.857 -3.316 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.948 -1.792 -4.753 1.00 0.00 H new ATOM 0 HG SER A 60 -20.568 -3.295 -4.049 1.00 0.00 H new ATOM 464 N CYS A 61 -18.580 0.572 -6.551 1.00 0.00 N ATOM 465 CA CYS A 61 -18.689 1.983 -6.159 1.00 0.00 C ATOM 466 C CYS A 61 -18.147 2.991 -7.185 1.00 0.00 C ATOM 467 O CYS A 61 -16.968 2.983 -7.538 1.00 0.00 O ATOM 468 CB CYS A 61 -18.033 2.118 -4.785 1.00 0.00 C ATOM 469 SG CYS A 61 -18.694 0.904 -3.599 1.00 0.00 S ATOM 0 H CYS A 61 -17.639 0.235 -6.757 1.00 0.00 H new ATOM 0 HA CYS A 61 -19.745 2.250 -6.115 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.956 1.983 -4.881 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.195 3.126 -4.402 1.00 0.00 H new ATOM 528 N TYR A 69 -6.366 7.002 -1.055 1.00 0.00 N ATOM 529 CA TYR A 69 -6.184 6.399 0.272 1.00 0.00 C ATOM 530 C TYR A 69 -7.607 6.650 0.958 1.00 0.00 C ATOM 531 O TYR A 69 -8.222 7.710 0.777 1.00 0.00 O ATOM 532 CB TYR A 69 -5.143 7.117 1.193 1.00 0.00 C ATOM 533 CG TYR A 69 -3.653 7.388 0.760 1.00 0.00 C ATOM 534 CD1 TYR A 69 -3.008 6.851 -0.376 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.914 8.337 1.497 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.860 7.450 -0.911 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.758 8.930 0.973 1.00 0.00 C ATOM 538 CZ TYR A 69 -1.277 8.529 -0.264 1.00 0.00 C ATOM 539 OH TYR A 69 -0.252 9.204 -0.849 1.00 0.00 O ATOM 0 HA TYR A 69 -5.836 5.372 0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.572 8.086 1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.096 6.538 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.407 5.962 -0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.247 8.612 2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.430 7.072 -1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.243 9.698 1.531 1.00 0.00 H new ATOM 0 HH TYR A 69 0.181 8.629 -1.514 1.00 0.00 H new ATOM 540 N THR A 70 -8.065 5.705 1.780 1.00 0.00 N ATOM 541 CA THR A 70 -9.072 5.934 2.842 1.00 0.00 C ATOM 542 C THR A 70 -10.448 5.267 2.623 1.00 0.00 C ATOM 543 O THR A 70 -11.425 5.978 2.369 1.00 0.00 O ATOM 544 CB THR A 70 -9.214 7.347 3.528 1.00 0.00 C ATOM 545 OG1 THR A 70 -10.029 8.261 2.799 1.00 0.00 O ATOM 546 CG2 THR A 70 -7.891 8.040 3.837 1.00 0.00 C ATOM 0 H THR A 70 -7.747 4.737 1.733 1.00 0.00 H new ATOM 0 HA THR A 70 -8.530 5.376 3.605 1.00 0.00 H new ATOM 0 HB THR A 70 -9.702 7.094 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.794 7.783 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.086 9.004 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.304 7.419 4.514 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.336 8.193 2.912 1.00 0.00 H new ATOM 547 N GLU A 71 -10.545 3.917 2.744 1.00 0.00 N ATOM 548 CA GLU A 71 -11.872 3.235 2.664 1.00 0.00 C ATOM 549 C GLU A 71 -12.243 2.213 3.796 1.00 0.00 C ATOM 550 O GLU A 71 -13.365 2.282 4.304 1.00 0.00 O ATOM 551 CB GLU A 71 -12.115 2.550 1.289 1.00 0.00 C ATOM 552 CG GLU A 71 -12.085 3.486 0.073 1.00 0.00 C ATOM 553 CD GLU A 71 -13.328 4.348 -0.105 1.00 0.00 C ATOM 554 OE1 GLU A 71 -14.365 3.656 -0.678 1.00 0.00 O ATOM 555 OE2 GLU A 71 -13.383 5.532 0.224 1.00 0.00 O ATOM 0 H GLU A 71 -9.752 3.293 2.892 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.536 4.087 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.360 1.776 1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.083 2.050 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.217 4.140 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.946 2.885 -0.826 1.00 0.00 H new ATOM 556 N SER A 72 -11.355 1.264 4.129 1.00 0.00 N ATOM 557 CA SER A 72 -11.738 -0.002 4.832 1.00 0.00 C ATOM 558 C SER A 72 -11.132 -0.242 6.253 1.00 0.00 C ATOM 559 O SER A 72 -10.704 0.708 6.906 1.00 0.00 O ATOM 560 CB SER A 72 -11.251 -1.073 3.799 1.00 0.00 C ATOM 561 OG SER A 72 -11.857 -2.332 4.042 1.00 0.00 O ATOM 0 H SER A 72 -10.358 1.336 3.928 1.00 0.00 H new ATOM 0 HA SER A 72 -12.800 -0.010 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.488 -0.741 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.167 -1.171 3.856 1.00 0.00 H new ATOM 0 HG SER A 72 -11.254 -2.887 4.580 1.00 0.00 H new ATOM 562 N TYR A 73 -11.185 -1.510 6.736 1.00 0.00 N ATOM 563 CA TYR A 73 -10.385 -2.115 7.804 1.00 0.00 C ATOM 564 C TYR A 73 -11.117 -2.393 9.128 1.00 0.00 C ATOM 565 O TYR A 73 -11.835 -1.543 9.662 1.00 0.00 O ATOM 566 CB TYR A 73 -9.043 -1.445 8.196 1.00 0.00 C ATOM 567 CG TYR A 73 -7.887 -2.026 7.449 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.548 -1.561 6.196 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.270 -3.172 7.961 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.631 -2.264 5.443 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.368 -3.888 7.198 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.057 -3.439 5.913 1.00 0.00 C ATOM 573 OH TYR A 73 -5.146 -4.100 5.151 1.00 0.00 O ATOM 0 H TYR A 73 -11.847 -2.182 6.348 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.168 -3.039 7.269 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.101 -0.375 7.998 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.878 -1.563 9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.995 -0.657 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.501 -3.501 8.963 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.353 -1.893 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.909 -4.784 7.590 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.544 -4.319 4.283 1.00 0.00 H new ATOM 574 N SER A 74 -10.742 -3.577 9.658 1.00 0.00 N ATOM 575 CA SER A 74 -11.058 -4.057 11.021 1.00 0.00 C ATOM 576 C SER A 74 -10.267 -5.396 11.154 1.00 0.00 C ATOM 577 O SER A 74 -10.746 -6.460 10.749 1.00 0.00 O ATOM 578 CB SER A 74 -12.580 -4.141 11.116 1.00 0.00 C ATOM 579 OG SER A 74 -13.036 -4.735 12.314 1.00 0.00 O ATOM 0 H SER A 74 -10.190 -4.251 9.128 1.00 0.00 H new ATOM 0 HA SER A 74 -10.760 -3.422 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.997 -3.137 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.958 -4.713 10.269 1.00 0.00 H new ATOM 0 HG SER A 74 -14.016 -4.758 12.315 1.00 0.00 H new ATOM 580 N TYR A 75 -9.045 -5.302 11.710 1.00 0.00 N ATOM 581 CA TYR A 75 -7.977 -6.313 11.555 1.00 0.00 C ATOM 582 C TYR A 75 -7.462 -7.002 12.854 1.00 0.00 C ATOM 583 O TYR A 75 -8.210 -7.238 13.804 1.00 0.00 O ATOM 584 CB TYR A 75 -6.913 -5.475 10.739 1.00 0.00 C ATOM 585 CG TYR A 75 -6.293 -4.251 11.465 1.00 0.00 C ATOM 586 CD1 TYR A 75 -6.896 -2.979 11.646 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.082 -4.492 12.085 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.329 -2.059 12.536 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.535 -3.603 12.999 1.00 0.00 C ATOM 590 CZ TYR A 75 -5.152 -2.380 13.228 1.00 0.00 C ATOM 591 OH TYR A 75 -4.578 -1.465 14.060 1.00 0.00 O ATOM 0 H TYR A 75 -8.765 -4.510 12.289 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.309 -7.224 11.056 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.104 -6.144 10.446 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.385 -5.124 9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.790 -2.721 11.098 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.545 -5.399 11.851 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.799 -1.099 12.690 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.631 -3.861 13.531 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.770 -1.849 14.461 1.00 0.00 H new ATOM 592 N SER A 76 -6.169 -7.367 12.800 1.00 0.00 N ATOM 593 CA SER A 76 -5.469 -8.279 13.740 1.00 0.00 C ATOM 594 C SER A 76 -3.971 -7.834 13.974 1.00 0.00 C ATOM 595 O SER A 76 -3.662 -6.641 13.968 1.00 0.00 O ATOM 596 CB SER A 76 -5.471 -9.599 12.894 1.00 0.00 C ATOM 597 OG SER A 76 -5.192 -10.764 13.656 1.00 0.00 O ATOM 0 H SER A 76 -5.549 -7.021 12.068 1.00 0.00 H new ATOM 0 HA SER A 76 -5.927 -8.331 14.728 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.444 -9.712 12.416 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.732 -9.511 12.097 1.00 0.00 H new ATOM 0 HG SER A 76 -5.210 -11.550 13.071 1.00 0.00 H new ATOM 598 N CYS A 77 -3.109 -8.823 14.311 1.00 0.00 N ATOM 599 CA CYS A 77 -1.667 -8.898 13.987 1.00 0.00 C ATOM 600 C CYS A 77 -1.042 -10.002 14.856 1.00 0.00 C ATOM 601 O CYS A 77 -1.237 -10.057 16.076 1.00 0.00 O ATOM 602 CB CYS A 77 -0.884 -7.656 13.706 1.00 0.00 C ATOM 603 SG CYS A 77 0.745 -8.085 13.041 1.00 0.00 S ATOM 0 H CYS A 77 -3.420 -9.634 14.846 1.00 0.00 H new ATOM 0 HA CYS A 77 -1.589 -9.186 12.939 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.423 -7.030 12.994 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.770 -7.074 14.620 1.00 0.00 H new ATOM 604 N SER A 78 -0.281 -10.864 14.193 1.00 0.00 N ATOM 605 CA SER A 78 0.297 -12.082 14.786 1.00 0.00 C ATOM 606 C SER A 78 1.462 -12.461 13.854 1.00 0.00 C ATOM 607 O SER A 78 1.238 -12.834 12.709 1.00 0.00 O ATOM 608 CB SER A 78 -0.721 -13.255 14.811 1.00 0.00 C ATOM 609 OG SER A 78 -1.756 -13.033 15.760 1.00 0.00 O ATOM 0 H SER A 78 -0.039 -10.742 13.210 1.00 0.00 H new ATOM 0 HA SER A 78 0.600 -11.901 15.817 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.157 -13.380 13.820 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.201 -14.183 15.050 1.00 0.00 H new ATOM 0 HG SER A 78 -1.678 -12.126 16.122 1.00 0.00 H new ATOM 610 N ASN A 79 2.665 -12.555 14.415 1.00 0.00 N ATOM 611 CA ASN A 79 3.947 -12.616 13.667 1.00 0.00 C ATOM 612 C ASN A 79 4.000 -12.174 12.148 1.00 0.00 C ATOM 613 O ASN A 79 4.090 -12.921 11.166 1.00 0.00 O ATOM 614 CB ASN A 79 4.336 -14.114 13.529 1.00 0.00 C ATOM 615 CG ASN A 79 4.672 -14.935 14.750 1.00 0.00 C ATOM 616 OD1 ASN A 79 4.846 -14.438 15.864 1.00 0.00 O ATOM 617 ND2 ASN A 79 4.800 -16.235 14.563 1.00 0.00 N ATOM 0 H ASN A 79 2.793 -12.593 15.426 1.00 0.00 H new ATOM 0 HA ASN A 79 4.564 -11.930 14.248 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.511 -14.615 13.022 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.197 -14.162 12.862 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.046 -16.841 15.346 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.653 -16.634 13.636 1.00 0.00 H new ATOM 618 N THR A 80 3.945 -10.872 12.086 1.00 0.00 N ATOM 619 CA THR A 80 3.919 -10.149 10.787 1.00 0.00 C ATOM 620 C THR A 80 2.576 -10.196 9.984 1.00 0.00 C ATOM 621 O THR A 80 2.449 -9.578 8.924 1.00 0.00 O ATOM 622 CB THR A 80 5.146 -10.374 9.829 1.00 0.00 C ATOM 623 OG1 THR A 80 5.080 -11.599 9.096 1.00 0.00 O ATOM 624 CG2 THR A 80 6.481 -10.297 10.557 1.00 0.00 C ATOM 0 H THR A 80 3.916 -10.265 12.905 1.00 0.00 H new ATOM 0 HA THR A 80 4.012 -9.133 11.170 1.00 0.00 H new ATOM 0 HB THR A 80 5.083 -9.551 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.829 -12.329 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.292 -10.460 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.590 -9.313 11.014 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.518 -11.063 11.332 1.00 0.00 H new ATOM 625 N GLU A 81 1.629 -10.975 10.522 1.00 0.00 N ATOM 626 CA GLU A 81 0.481 -11.506 9.765 1.00 0.00 C ATOM 627 C GLU A 81 -0.851 -11.100 10.363 1.00 0.00 C ATOM 628 O GLU A 81 -1.140 -11.346 11.535 1.00 0.00 O ATOM 629 CB GLU A 81 0.474 -13.061 9.692 1.00 0.00 C ATOM 630 CG GLU A 81 1.667 -13.517 8.868 1.00 0.00 C ATOM 631 CD GLU A 81 1.684 -14.980 8.506 1.00 0.00 C ATOM 632 OE1 GLU A 81 2.262 -15.748 9.485 1.00 0.00 O ATOM 633 OE2 GLU A 81 1.230 -15.424 7.452 1.00 0.00 O ATOM 0 H GLU A 81 1.635 -11.258 11.502 1.00 0.00 H new ATOM 0 HA GLU A 81 0.602 -11.078 8.770 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.523 -13.486 10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.453 -13.414 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.696 -12.933 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.578 -13.287 9.421 1.00 0.00 H new ATOM 634 N ILE A 82 -1.681 -10.545 9.490 1.00 0.00 N ATOM 635 CA ILE A 82 -2.907 -9.855 9.922 1.00 0.00 C ATOM 636 C ILE A 82 -4.136 -10.482 9.142 1.00 0.00 C ATOM 637 O ILE A 82 -4.284 -11.699 9.019 1.00 0.00 O ATOM 638 CB ILE A 82 -2.645 -8.310 9.844 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.324 -7.764 10.439 1.00 0.00 C ATOM 640 CG2 ILE A 82 -3.720 -7.445 10.485 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.229 -7.471 9.452 1.00 0.00 C ATOM 0 H ILE A 82 -1.536 -10.554 8.480 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.187 -10.005 10.965 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.619 -8.229 8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.547 -6.849 10.987 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.949 -8.487 11.164 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.451 -6.394 10.381 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.675 -7.626 9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.805 -7.695 11.543 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.647 -7.095 9.981 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.034 -8.384 8.919 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.573 -6.721 8.739 1.00 0.00 H new ATOM 642 N THR A 83 -5.008 -9.566 8.746 1.00 0.00 N ATOM 643 CA THR A 83 -6.322 -9.727 8.089 1.00 0.00 C ATOM 644 C THR A 83 -6.871 -8.243 7.812 1.00 0.00 C ATOM 645 O THR A 83 -6.242 -7.229 8.124 1.00 0.00 O ATOM 646 CB THR A 83 -7.298 -10.622 8.904 1.00 0.00 C ATOM 647 OG1 THR A 83 -8.373 -11.065 8.075 1.00 0.00 O ATOM 648 CG2 THR A 83 -7.870 -9.927 10.136 1.00 0.00 C ATOM 0 H THR A 83 -4.800 -8.578 8.888 1.00 0.00 H new ATOM 0 HA THR A 83 -6.227 -10.268 7.147 1.00 0.00 H new ATOM 0 HB THR A 83 -6.710 -11.470 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.979 -11.629 8.599 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.543 -10.607 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.056 -9.639 10.802 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.420 -9.037 9.829 1.00 0.00 H new ATOM 649 N CYS A 84 -8.084 -8.152 7.276 1.00 0.00 N ATOM 650 CA CYS A 84 -8.773 -6.892 6.929 1.00 0.00 C ATOM 651 C CYS A 84 -10.225 -7.372 6.679 1.00 0.00 C ATOM 652 O CYS A 84 -10.466 -8.440 6.089 1.00 0.00 O ATOM 653 CB CYS A 84 -8.177 -6.253 5.687 1.00 0.00 C ATOM 654 SG CYS A 84 -8.879 -4.636 5.389 1.00 0.00 S ATOM 0 H CYS A 84 -8.643 -8.977 7.060 1.00 0.00 H new ATOM 0 HA CYS A 84 -8.692 -6.125 7.699 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.096 -6.167 5.802 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.356 -6.894 4.824 1.00 0.00 H new ATOM 655 N ASN A 85 -11.207 -6.553 7.066 1.00 0.00 N ATOM 656 CA ASN A 85 -12.602 -7.031 7.151 1.00 0.00 C ATOM 657 C ASN A 85 -13.267 -7.487 5.822 1.00 0.00 C ATOM 658 O ASN A 85 -12.811 -7.230 4.704 1.00 0.00 O ATOM 659 CB ASN A 85 -13.498 -5.934 7.798 1.00 0.00 C ATOM 660 CG ASN A 85 -14.534 -6.523 8.779 1.00 0.00 C ATOM 661 OD1 ASN A 85 -15.710 -6.670 8.460 1.00 0.00 O ATOM 662 ND2 ASN A 85 -14.127 -6.951 9.962 1.00 0.00 N ATOM 0 H ASN A 85 -11.074 -5.575 7.322 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.530 -7.932 7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -12.867 -5.219 8.326 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.017 -5.383 7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.788 -7.398 10.598 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.152 -6.835 10.239 1.00 0.00 H new ATOM 663 N SER A 86 -14.376 -8.187 6.075 1.00 0.00 N ATOM 664 CA SER A 86 -15.305 -8.632 5.025 1.00 0.00 C ATOM 665 C SER A 86 -16.702 -8.006 5.284 1.00 0.00 C ATOM 666 O SER A 86 -17.721 -8.689 5.137 1.00 0.00 O ATOM 667 CB SER A 86 -15.294 -10.173 4.967 1.00 0.00 C ATOM 668 OG SER A 86 -16.036 -10.646 3.846 1.00 0.00 O ATOM 0 H SER A 86 -14.658 -8.463 7.015 1.00 0.00 H new ATOM 0 HA SER A 86 -14.999 -8.288 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.266 -10.531 4.905 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.718 -10.578 5.886 1.00 0.00 H new ATOM 0 HG SER A 86 -16.910 -10.203 3.822 1.00 0.00 H new ATOM 669 N LYS A 87 -16.759 -6.682 5.587 1.00 0.00 N ATOM 670 CA LYS A 87 -18.035 -5.906 5.565 1.00 0.00 C ATOM 671 C LYS A 87 -18.333 -5.409 4.117 1.00 0.00 C ATOM 672 O LYS A 87 -18.390 -4.214 3.825 1.00 0.00 O ATOM 673 CB LYS A 87 -17.969 -4.863 6.697 1.00 0.00 C ATOM 674 CG LYS A 87 -16.764 -3.912 6.719 1.00 0.00 C ATOM 675 CD LYS A 87 -16.374 -3.469 8.128 1.00 0.00 C ATOM 676 CE LYS A 87 -14.977 -2.824 8.181 1.00 0.00 C ATOM 677 NZ LYS A 87 -14.984 -1.357 8.040 1.00 0.00 N ATOM 0 H LYS A 87 -15.943 -6.129 5.848 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.919 -6.502 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -18.874 -4.257 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.993 -5.397 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.912 -4.405 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.993 -3.032 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.112 -2.758 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.398 -4.331 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.504 -3.085 9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.361 -3.251 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.009 -0.999 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.405 -1.098 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.543 -0.937 8.810 1.00 0.00 H new ATOM 678 N ASN A 88 -18.524 -6.425 3.246 1.00 0.00 N ATOM 679 CA ASN A 88 -18.475 -6.305 1.784 1.00 0.00 C ATOM 680 C ASN A 88 -19.653 -5.746 0.968 1.00 0.00 C ATOM 681 O ASN A 88 -20.382 -6.444 0.258 1.00 0.00 O ATOM 682 CB ASN A 88 -17.893 -7.640 1.207 1.00 0.00 C ATOM 683 CG ASN A 88 -18.747 -8.904 1.296 1.00 0.00 C ATOM 684 OD1 ASN A 88 -18.990 -9.435 2.379 1.00 0.00 O ATOM 685 ND2 ASN A 88 -19.203 -9.431 0.172 1.00 0.00 N ATOM 0 H ASN A 88 -18.722 -7.376 3.557 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.827 -5.441 1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.657 -7.472 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.951 -7.839 1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.761 -10.284 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -18.997 -8.984 -0.721 1.00 0.00 H new ATOM 686 N ASN A 89 -19.718 -4.413 1.003 1.00 0.00 N ATOM 687 CA ASN A 89 -19.973 -3.619 -0.228 1.00 0.00 C ATOM 688 C ASN A 89 -18.524 -3.223 -0.653 1.00 0.00 C ATOM 689 O ASN A 89 -17.726 -2.763 0.177 1.00 0.00 O ATOM 690 CB ASN A 89 -20.908 -2.412 -0.115 1.00 0.00 C ATOM 691 CG ASN A 89 -20.791 -1.487 1.089 1.00 0.00 C ATOM 692 OD1 ASN A 89 -19.973 -0.569 1.110 1.00 0.00 O ATOM 693 ND2 ASN A 89 -21.599 -1.694 2.116 1.00 0.00 N ATOM 0 H ASN A 89 -19.601 -3.857 1.850 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.537 -4.205 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -20.768 -1.805 -1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -21.931 -2.787 -0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -21.547 -1.089 2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.274 -2.458 2.088 1.00 0.00 H new ATOM 694 N ALA A 90 -18.193 -3.445 -1.935 1.00 0.00 N ATOM 695 CA ALA A 90 -16.784 -3.342 -2.420 1.00 0.00 C ATOM 696 C ALA A 90 -15.997 -2.042 -2.106 1.00 0.00 C ATOM 697 O ALA A 90 -14.783 -2.093 -1.946 1.00 0.00 O ATOM 698 CB ALA A 90 -16.677 -3.746 -3.888 1.00 0.00 C ATOM 0 H ALA A 90 -18.867 -3.696 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.259 -4.065 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.640 -3.661 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -17.012 -4.776 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.302 -3.089 -4.493 1.00 0.00 H new ATOM 699 N CYS A 91 -16.677 -0.901 -1.947 1.00 0.00 N ATOM 700 CA CYS A 91 -16.133 0.336 -1.311 1.00 0.00 C ATOM 701 C CYS A 91 -15.026 0.130 -0.207 1.00 0.00 C ATOM 702 O CYS A 91 -13.905 0.584 -0.406 1.00 0.00 O ATOM 703 CB CYS A 91 -17.377 0.919 -0.616 1.00 0.00 C ATOM 704 SG CYS A 91 -18.672 1.575 -1.697 1.00 0.00 S ATOM 0 H CYS A 91 -17.642 -0.795 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 91 -15.641 0.943 -2.071 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -17.815 0.140 0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.052 1.717 0.051 1.00 0.00 H new ATOM 705 N GLU A 92 -15.348 -0.602 0.878 1.00 0.00 N ATOM 706 CA GLU A 92 -14.384 -1.044 1.897 1.00 0.00 C ATOM 707 C GLU A 92 -13.785 -2.399 1.484 1.00 0.00 C ATOM 708 O GLU A 92 -12.581 -2.402 1.252 1.00 0.00 O ATOM 709 CB GLU A 92 -14.947 -1.120 3.341 1.00 0.00 C ATOM 710 CG GLU A 92 -16.300 -1.823 3.499 1.00 0.00 C ATOM 711 CD GLU A 92 -17.326 -1.053 4.316 1.00 0.00 C ATOM 712 OE1 GLU A 92 -17.072 -0.494 5.383 1.00 0.00 O ATOM 713 OE2 GLU A 92 -18.567 -1.071 3.734 1.00 0.00 O ATOM 0 H GLU A 92 -16.302 -0.906 1.071 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.614 -0.273 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.218 -1.634 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.040 -0.105 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.713 -2.013 2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.137 -2.794 3.968 1.00 0.00 H new ATOM 714 N ALA A 93 -14.561 -3.509 1.372 1.00 0.00 N ATOM 715 CA ALA A 93 -13.969 -4.842 1.154 1.00 0.00 C ATOM 716 C ALA A 93 -12.983 -5.023 -0.012 1.00 0.00 C ATOM 717 O ALA A 93 -12.043 -5.808 0.144 1.00 0.00 O ATOM 718 CB ALA A 93 -14.950 -5.994 1.018 1.00 0.00 C ATOM 0 H ALA A 93 -15.579 -3.502 1.429 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.422 -4.880 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.401 -6.923 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.546 -6.074 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.608 -5.813 0.168 1.00 0.00 H new ATOM 719 N PHE A 94 -13.200 -4.347 -1.168 1.00 0.00 N ATOM 720 CA PHE A 94 -12.183 -4.438 -2.270 1.00 0.00 C ATOM 721 C PHE A 94 -10.881 -3.702 -1.896 1.00 0.00 C ATOM 722 O PHE A 94 -9.807 -4.212 -2.225 1.00 0.00 O ATOM 723 CB PHE A 94 -12.834 -4.048 -3.602 1.00 0.00 C ATOM 724 CG PHE A 94 -11.981 -3.575 -4.783 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.227 -2.403 -4.656 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.207 -4.072 -6.072 1.00 0.00 C ATOM 727 CE1 PHE A 94 -10.614 -1.806 -5.747 1.00 0.00 C ATOM 728 CE2 PHE A 94 -11.608 -3.472 -7.184 1.00 0.00 C ATOM 729 CZ PHE A 94 -10.790 -2.348 -7.012 1.00 0.00 C ATOM 0 H PHE A 94 -14.014 -3.765 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.849 -5.466 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.405 -4.911 -3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.552 -3.256 -3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.120 -1.951 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.851 -4.928 -6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.004 -0.925 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.776 -3.874 -8.172 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.297 -1.903 -7.864 1.00 0.00 H new ATOM 730 N ILE A 95 -10.974 -2.502 -1.273 1.00 0.00 N ATOM 731 CA ILE A 95 -9.759 -1.762 -0.827 1.00 0.00 C ATOM 732 C ILE A 95 -9.059 -2.544 0.337 1.00 0.00 C ATOM 733 O ILE A 95 -7.834 -2.617 0.324 1.00 0.00 O ATOM 734 CB ILE A 95 -10.090 -0.260 -0.552 1.00 0.00 C ATOM 735 CG1 ILE A 95 -10.283 0.513 -1.894 1.00 0.00 C ATOM 736 CG2 ILE A 95 -8.970 0.468 0.223 1.00 0.00 C ATOM 737 CD1 ILE A 95 -11.686 0.475 -2.475 1.00 0.00 C ATOM 0 H ILE A 95 -11.855 -2.031 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.015 -1.718 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.001 -0.266 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.002 1.554 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.592 0.104 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.256 1.507 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.817 -0.020 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.046 0.431 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.710 1.042 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.970 -0.559 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.386 0.914 -1.764 1.00 0.00 H new ATOM 738 N CYS A 96 -9.835 -3.167 1.257 1.00 0.00 N ATOM 739 CA CYS A 96 -9.359 -4.209 2.202 1.00 0.00 C ATOM 740 C CYS A 96 -8.445 -5.294 1.562 1.00 0.00 C ATOM 741 O CYS A 96 -7.401 -5.598 2.145 1.00 0.00 O ATOM 742 CB CYS A 96 -10.598 -4.905 2.829 1.00 0.00 C ATOM 743 SG CYS A 96 -10.685 -4.784 4.604 1.00 0.00 S ATOM 0 H CYS A 96 -10.827 -2.956 1.366 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.747 -3.697 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.501 -4.468 2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.590 -5.958 2.548 1.00 0.00 H new ATOM 744 N ASN A 97 -8.826 -5.834 0.376 1.00 0.00 N ATOM 745 CA ASN A 97 -7.953 -6.818 -0.344 1.00 0.00 C ATOM 746 C ASN A 97 -6.680 -6.240 -0.997 1.00 0.00 C ATOM 747 O ASN A 97 -5.642 -6.905 -0.925 1.00 0.00 O ATOM 748 CB ASN A 97 -8.827 -7.549 -1.381 1.00 0.00 C ATOM 749 CG ASN A 97 -8.332 -8.913 -1.865 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.415 -9.527 -1.318 1.00 0.00 O ATOM 751 ND2 ASN A 97 -8.951 -9.431 -2.910 1.00 0.00 N ATOM 0 H ASN A 97 -9.704 -5.618 -0.097 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.556 -7.498 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.821 -7.681 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.937 -6.900 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.670 -10.344 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.710 -8.918 -3.359 1.00 0.00 H new ATOM 752 N CYS A 98 -6.737 -5.048 -1.614 1.00 0.00 N ATOM 753 CA CYS A 98 -5.511 -4.378 -2.110 1.00 0.00 C ATOM 754 C CYS A 98 -4.527 -3.978 -0.981 1.00 0.00 C ATOM 755 O CYS A 98 -3.338 -4.256 -1.146 1.00 0.00 O ATOM 756 CB CYS A 98 -5.881 -3.273 -3.108 1.00 0.00 C ATOM 757 SG CYS A 98 -6.419 -4.137 -4.618 1.00 0.00 S ATOM 0 H CYS A 98 -7.600 -4.531 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.918 -5.098 -2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.676 -2.640 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -5.028 -2.625 -3.310 1.00 0.00 H new ATOM 758 N ASP A 99 -4.988 -3.424 0.168 1.00 0.00 N ATOM 759 CA ASP A 99 -4.121 -3.135 1.339 1.00 0.00 C ATOM 760 C ASP A 99 -3.382 -4.366 1.898 1.00 0.00 C ATOM 761 O ASP A 99 -2.160 -4.320 1.934 1.00 0.00 O ATOM 762 CB ASP A 99 -4.857 -2.416 2.471 1.00 0.00 C ATOM 763 CG ASP A 99 -5.280 -0.983 2.210 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.501 -0.035 2.240 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.621 -0.868 1.992 1.00 0.00 O ATOM 0 H ASP A 99 -5.965 -3.166 0.309 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.367 -2.460 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.748 -2.994 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.216 -2.426 3.353 1.00 0.00 H new ATOM 766 N ARG A 100 -4.086 -5.432 2.292 1.00 0.00 N ATOM 767 CA ARG A 100 -3.445 -6.684 2.723 1.00 0.00 C ATOM 768 C ARG A 100 -2.546 -7.390 1.709 1.00 0.00 C ATOM 769 O ARG A 100 -1.485 -7.815 2.153 1.00 0.00 O ATOM 770 CB ARG A 100 -4.521 -7.693 3.163 1.00 0.00 C ATOM 771 CG ARG A 100 -5.089 -7.393 4.552 1.00 0.00 C ATOM 772 CD ARG A 100 -4.072 -7.591 5.686 1.00 0.00 C ATOM 773 NE ARG A 100 -3.772 -9.023 5.803 1.00 0.00 N ATOM 774 CZ ARG A 100 -2.574 -9.552 6.091 1.00 0.00 C ATOM 775 NH1 ARG A 100 -1.482 -8.840 6.350 1.00 0.00 N ATOM 776 NH2 ARG A 100 -2.478 -10.867 6.123 1.00 0.00 N ATOM 0 H ARG A 100 -5.105 -5.455 2.322 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.787 -6.363 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.333 -7.690 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.094 -8.696 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.450 -6.365 4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.950 -8.037 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.161 -7.030 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.474 -7.211 6.625 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.543 -9.673 5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.523 -7.821 6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.603 -9.313 6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.298 -11.443 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.584 -11.308 6.338 1.00 0.00 H new ATOM 777 N ASN A 101 -2.886 -7.551 0.411 1.00 0.00 N ATOM 778 CA ASN A 101 -1.864 -8.120 -0.529 1.00 0.00 C ATOM 779 C ASN A 101 -0.653 -7.141 -0.796 1.00 0.00 C ATOM 780 O ASN A 101 0.399 -7.606 -1.234 1.00 0.00 O ATOM 781 CB ASN A 101 -2.570 -8.588 -1.812 1.00 0.00 C ATOM 782 CG ASN A 101 -1.734 -9.509 -2.705 1.00 0.00 C ATOM 783 OD1 ASN A 101 -1.508 -10.675 -2.381 1.00 0.00 O ATOM 784 ND2 ASN A 101 -1.262 -9.020 -3.839 1.00 0.00 N ATOM 0 H ASN A 101 -3.790 -7.318 0.000 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.398 -8.986 -0.059 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.488 -9.108 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.862 -7.711 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.704 -9.610 -4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.456 -8.052 -4.097 1.00 0.00 H new ATOM 785 N ALA A 102 -0.796 -5.837 -0.484 1.00 0.00 N ATOM 786 CA ALA A 102 0.338 -4.931 -0.269 1.00 0.00 C ATOM 787 C ALA A 102 0.986 -5.112 1.138 1.00 0.00 C ATOM 788 O ALA A 102 2.190 -4.958 1.136 1.00 0.00 O ATOM 789 CB ALA A 102 -0.087 -3.485 -0.529 1.00 0.00 C ATOM 0 H ALA A 102 -1.705 -5.387 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 102 1.116 -5.191 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.762 -2.821 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.433 -3.387 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.894 -3.215 0.152 1.00 0.00 H new ATOM 790 N ALA A 103 0.337 -5.465 2.288 1.00 0.00 N ATOM 791 CA ALA A 103 1.092 -5.864 3.547 1.00 0.00 C ATOM 792 C ALA A 103 2.016 -7.150 3.463 1.00 0.00 C ATOM 793 O ALA A 103 2.854 -7.370 4.324 1.00 0.00 O ATOM 794 CB ALA A 103 0.067 -6.047 4.680 1.00 0.00 C ATOM 0 H ALA A 103 -0.678 -5.486 2.383 1.00 0.00 H new ATOM 0 HA ALA A 103 1.797 -5.052 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.584 -6.334 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.467 -5.111 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.644 -6.826 4.405 1.00 0.00 H new ATOM 795 N ILE A 104 1.753 -7.919 2.426 1.00 0.00 N ATOM 796 CA ILE A 104 2.387 -9.182 1.927 1.00 0.00 C ATOM 797 C ILE A 104 3.507 -8.956 0.911 1.00 0.00 C ATOM 798 O ILE A 104 4.490 -9.679 0.825 1.00 0.00 O ATOM 799 CB ILE A 104 1.142 -9.864 1.237 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.236 -10.662 2.181 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.357 -10.652 -0.065 1.00 0.00 C ATOM 802 CD1 ILE A 104 0.093 -10.107 3.584 1.00 0.00 C ATOM 0 H ILE A 104 0.984 -7.658 1.808 1.00 0.00 H new ATOM 0 HA ILE A 104 2.878 -9.754 2.714 1.00 0.00 H new ATOM 0 HB ILE A 104 0.631 -8.953 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.756 -10.727 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.622 -11.679 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.404 -11.056 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.766 -9.989 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.054 -11.470 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.569 -10.750 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.072 -10.069 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.327 -9.102 3.537 1.00 0.00 H new ATOM 803 N CYS A 105 3.281 -8.026 0.000 1.00 0.00 N ATOM 804 CA CYS A 105 4.399 -7.462 -0.774 1.00 0.00 C ATOM 805 C CYS A 105 5.371 -6.700 0.192 1.00 0.00 C ATOM 806 O CYS A 105 6.571 -6.955 0.202 1.00 0.00 O ATOM 807 CB CYS A 105 3.823 -6.514 -1.811 1.00 0.00 C ATOM 808 SG CYS A 105 2.798 -7.310 -3.042 1.00 0.00 S ATOM 0 H CYS A 105 2.362 -7.646 -0.227 1.00 0.00 H new ATOM 0 HA CYS A 105 4.962 -8.251 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.234 -5.751 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.643 -6.001 -2.314 1.00 0.00 H new ATOM 809 N PHE A 106 4.793 -5.875 1.063 1.00 0.00 N ATOM 810 CA PHE A 106 5.522 -4.963 1.953 1.00 0.00 C ATOM 811 C PHE A 106 6.187 -5.598 3.152 1.00 0.00 C ATOM 812 O PHE A 106 7.324 -5.212 3.448 1.00 0.00 O ATOM 813 CB PHE A 106 4.605 -3.797 2.273 1.00 0.00 C ATOM 814 CG PHE A 106 4.245 -2.900 1.044 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.805 -2.954 -0.277 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.211 -2.011 1.284 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.375 -2.055 -1.249 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.798 -1.103 0.321 1.00 0.00 C ATOM 819 CZ PHE A 106 3.389 -1.118 -0.941 1.00 0.00 C ATOM 0 H PHE A 106 3.781 -5.818 1.175 1.00 0.00 H new ATOM 0 HA PHE A 106 6.402 -4.599 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.683 -4.184 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.079 -3.176 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.558 -3.690 -0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.715 -2.025 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.804 -2.083 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.022 -0.387 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.081 -0.399 -1.686 1.00 0.00 H new ATOM 820 N SER A 107 5.565 -6.590 3.817 1.00 0.00 N ATOM 821 CA SER A 107 6.358 -7.373 4.802 1.00 0.00 C ATOM 822 C SER A 107 7.464 -8.304 4.213 1.00 0.00 C ATOM 823 O SER A 107 8.410 -8.652 4.925 1.00 0.00 O ATOM 824 CB SER A 107 5.507 -8.215 5.773 1.00 0.00 C ATOM 825 OG SER A 107 4.622 -9.134 5.152 1.00 0.00 O ATOM 0 H SER A 107 4.588 -6.861 3.709 1.00 0.00 H new ATOM 0 HA SER A 107 6.853 -6.564 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.176 -8.767 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.925 -7.540 6.401 1.00 0.00 H new ATOM 0 HG SER A 107 3.924 -8.642 4.672 1.00 0.00 H new ATOM 826 N LYS A 108 7.302 -8.698 2.944 1.00 0.00 N ATOM 827 CA LYS A 108 7.973 -9.861 2.383 1.00 0.00 C ATOM 828 C LYS A 108 8.377 -9.570 0.939 1.00 0.00 C ATOM 829 O LYS A 108 9.527 -9.160 0.783 1.00 0.00 O ATOM 830 CB LYS A 108 7.200 -11.189 2.623 1.00 0.00 C ATOM 831 CG LYS A 108 5.717 -11.126 3.026 1.00 0.00 C ATOM 832 CD LYS A 108 4.801 -12.224 2.489 1.00 0.00 C ATOM 833 CE LYS A 108 5.016 -12.750 1.065 1.00 0.00 C ATOM 834 NZ LYS A 108 3.929 -13.663 0.669 1.00 0.00 N ATOM 0 H LYS A 108 6.698 -8.213 2.281 1.00 0.00 H new ATOM 0 HA LYS A 108 8.901 -10.043 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.268 -11.779 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.729 -11.742 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.662 -11.142 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.319 -10.165 2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.876 -13.074 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.777 -11.856 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.065 -11.913 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.972 -13.270 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.973 -13.831 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.034 -14.567 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.012 -13.236 0.911 1.00 0.00 H new ATOM 835 N ALA A 109 7.542 -9.809 -0.116 1.00 0.00 N ATOM 836 CA ALA A 109 8.060 -9.840 -1.524 1.00 0.00 C ATOM 837 C ALA A 109 9.411 -10.649 -1.705 1.00 0.00 C ATOM 838 O ALA A 109 9.879 -11.330 -0.786 1.00 0.00 O ATOM 839 CB ALA A 109 8.097 -8.371 -2.006 1.00 0.00 C ATOM 0 H ALA A 109 6.540 -9.978 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 109 7.394 -10.417 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.468 -8.333 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.092 -7.950 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.757 -7.792 -1.360 1.00 0.00 H new ATOM 840 N PRO A 110 10.079 -10.585 -2.853 1.00 0.00 N ATOM 841 CA PRO A 110 11.574 -10.837 -2.971 1.00 0.00 C ATOM 842 C PRO A 110 12.485 -9.536 -2.620 1.00 0.00 C ATOM 843 O PRO A 110 13.524 -9.282 -3.233 1.00 0.00 O ATOM 844 CB PRO A 110 11.670 -10.977 -4.514 1.00 0.00 C ATOM 845 CG PRO A 110 10.659 -9.898 -4.911 1.00 0.00 C ATOM 846 CD PRO A 110 9.436 -10.333 -4.139 1.00 0.00 C ATOM 0 HA PRO A 110 11.908 -11.647 -2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.672 -10.777 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.388 -11.969 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.991 -8.900 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.480 -9.879 -5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.670 -9.559 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.963 -11.221 -4.558 1.00 0.00 H new ATOM 847 N TYR A 111 12.020 -8.845 -1.591 1.00 0.00 N ATOM 848 CA TYR A 111 12.353 -7.429 -1.254 1.00 0.00 C ATOM 849 C TYR A 111 13.820 -6.909 -1.456 1.00 0.00 C ATOM 850 O TYR A 111 14.768 -7.699 -1.360 1.00 0.00 O ATOM 851 CB TYR A 111 12.379 -7.560 0.382 1.00 0.00 C ATOM 852 CG TYR A 111 11.861 -6.356 1.115 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.502 -6.208 1.042 1.00 0.00 C ATOM 854 CD2 TYR A 111 12.634 -5.375 1.782 1.00 0.00 C ATOM 855 CE1 TYR A 111 9.891 -5.070 1.533 1.00 0.00 C ATOM 856 CE2 TYR A 111 11.994 -4.281 2.375 1.00 0.00 C ATOM 857 CZ TYR A 111 10.618 -4.112 2.227 1.00 0.00 C ATOM 858 OH TYR A 111 10.056 -2.938 2.618 1.00 0.00 O ATOM 0 H TYR A 111 11.368 -9.256 -0.923 1.00 0.00 H new ATOM 0 HA TYR A 111 11.689 -6.793 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.788 -8.428 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.404 -7.750 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.902 -6.988 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.709 -5.470 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.833 -4.924 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.567 -3.567 2.948 1.00 0.00 H new ATOM 0 HH TYR A 111 9.101 -2.942 2.396 1.00 0.00 H new ATOM 859 N ASN A 112 14.003 -5.602 -1.730 1.00 0.00 N ATOM 860 CA ASN A 112 15.363 -5.027 -1.877 1.00 0.00 C ATOM 861 C ASN A 112 15.378 -3.642 -1.186 1.00 0.00 C ATOM 862 O ASN A 112 15.011 -2.608 -1.750 1.00 0.00 O ATOM 863 CB ASN A 112 15.837 -4.935 -3.346 1.00 0.00 C ATOM 864 CG ASN A 112 16.196 -6.277 -3.987 1.00 0.00 C ATOM 865 OD1 ASN A 112 17.221 -6.878 -3.667 1.00 0.00 O ATOM 866 ND2 ASN A 112 15.375 -6.778 -4.894 1.00 0.00 N ATOM 0 H ASN A 112 13.244 -4.932 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 112 16.075 -5.699 -1.397 1.00 0.00 H new ATOM 0 HB2 ASN A 112 15.052 -4.463 -3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 112 16.708 -4.281 -3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 112 15.588 -7.672 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 112 14.528 -6.271 -5.151 1.00 0.00 H new ATOM 867 N LYS A 113 15.918 -3.709 0.036 1.00 0.00 N ATOM 868 CA LYS A 113 16.089 -2.619 1.016 1.00 0.00 C ATOM 869 C LYS A 113 17.372 -1.807 0.989 1.00 0.00 C ATOM 870 O LYS A 113 18.200 -1.695 1.895 1.00 0.00 O ATOM 871 CB LYS A 113 15.744 -3.233 2.360 1.00 0.00 C ATOM 872 CG LYS A 113 16.475 -4.497 2.834 1.00 0.00 C ATOM 873 CD LYS A 113 17.990 -4.508 2.968 1.00 0.00 C ATOM 874 CE LYS A 113 18.735 -4.978 1.708 1.00 0.00 C ATOM 875 NZ LYS A 113 20.194 -4.978 1.915 1.00 0.00 N ATOM 0 H LYS A 113 16.276 -4.593 0.398 1.00 0.00 H new ATOM 0 HA LYS A 113 15.418 -1.805 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.899 -2.465 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.678 -3.459 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 113 16.064 -4.760 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 113 16.207 -5.300 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.328 -3.503 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 113 18.264 -5.156 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.404 -5.981 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.485 -4.326 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.668 -5.300 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.512 -4.015 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.434 -5.619 2.698 1.00 0.00 H new ATOM 876 N GLU A 114 17.475 -1.166 -0.155 1.00 0.00 N ATOM 877 CA GLU A 114 18.754 -1.118 -0.863 1.00 0.00 C ATOM 878 C GLU A 114 18.719 0.189 -1.650 1.00 0.00 C ATOM 879 O GLU A 114 19.562 1.062 -1.435 1.00 0.00 O ATOM 880 CB GLU A 114 18.793 -2.546 -1.471 1.00 0.00 C ATOM 881 CG GLU A 114 19.263 -2.634 -2.873 1.00 0.00 C ATOM 882 CD GLU A 114 20.731 -2.469 -3.150 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.423 -3.642 -2.986 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.244 -1.401 -3.485 1.00 0.00 O ATOM 0 H GLU A 114 16.708 -0.676 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 114 19.730 -1.010 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.439 -3.168 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.791 -2.972 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.959 -3.605 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.730 -1.878 -3.449 1.00 0.00 H new ATOM 885 N HIS A 115 17.681 0.329 -2.506 1.00 0.00 N ATOM 886 CA HIS A 115 17.222 1.610 -3.030 1.00 0.00 C ATOM 887 C HIS A 115 16.027 2.070 -2.134 1.00 0.00 C ATOM 888 O HIS A 115 14.835 1.955 -2.407 1.00 0.00 O ATOM 889 CB HIS A 115 17.030 1.506 -4.553 1.00 0.00 C ATOM 890 CG HIS A 115 15.861 0.713 -5.141 1.00 0.00 C ATOM 891 ND1 HIS A 115 14.529 1.047 -4.968 1.00 0.00 N ATOM 892 CD2 HIS A 115 15.988 -0.676 -5.093 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.070 -0.174 -4.514 1.00 0.00 C ATOM 894 NE2 HIS A 115 14.809 -1.299 -4.762 1.00 0.00 N ATOM 0 H HIS A 115 17.139 -0.464 -2.849 1.00 0.00 H new ATOM 0 HA HIS A 115 17.941 2.426 -2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.953 2.523 -4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 115 17.945 1.079 -4.963 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.910 -1.202 -5.294 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.139 -0.240 -3.970 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.562 -2.288 -4.716 1.00 0.00 H new ATOM 895 N LYS A 116 16.352 2.531 -0.952 1.00 0.00 N ATOM 896 CA LYS A 116 15.559 3.399 -0.122 1.00 0.00 C ATOM 897 C LYS A 116 16.142 4.783 -0.446 1.00 0.00 C ATOM 898 O LYS A 116 17.338 4.948 -0.757 1.00 0.00 O ATOM 899 CB LYS A 116 15.966 2.826 1.258 1.00 0.00 C ATOM 900 CG LYS A 116 15.823 3.862 2.349 1.00 0.00 C ATOM 901 CD LYS A 116 14.646 3.571 3.232 1.00 0.00 C ATOM 902 CE LYS A 116 14.459 4.768 4.172 1.00 0.00 C ATOM 903 NZ LYS A 116 13.712 4.464 5.400 1.00 0.00 N ATOM 0 H LYS A 116 17.242 2.291 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 116 14.475 3.465 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.345 1.961 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.998 2.477 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.732 3.887 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.709 4.849 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.749 3.412 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 116 14.814 2.658 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.440 5.157 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.941 5.561 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.793 4.951 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.559 3.438 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.255 4.788 6.226 1.00 0.00 H new ATOM 904 N ASN A 117 15.314 5.814 -0.176 1.00 0.00 N ATOM 905 CA ASN A 117 15.853 7.182 0.093 1.00 0.00 C ATOM 906 C ASN A 117 16.018 7.985 -1.207 1.00 0.00 C ATOM 907 O ASN A 117 15.541 9.119 -1.284 1.00 0.00 O ATOM 908 CB ASN A 117 17.087 7.115 1.055 1.00 0.00 C ATOM 909 CG ASN A 117 17.166 8.226 2.081 1.00 0.00 C ATOM 910 OD1 ASN A 117 17.639 9.326 1.796 1.00 0.00 O ATOM 911 ND2 ASN A 117 16.706 7.976 3.296 1.00 0.00 N ATOM 0 H ASN A 117 14.297 5.740 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 117 15.127 7.773 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.068 6.159 1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 117 17.997 7.131 0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.740 8.700 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.317 7.059 3.515 1.00 0.00 H new ATOM 912 N LEU A 118 16.663 7.306 -2.197 1.00 0.00 N ATOM 913 CA LEU A 118 16.635 7.703 -3.640 1.00 0.00 C ATOM 914 C LEU A 118 16.780 9.199 -3.901 1.00 0.00 C ATOM 915 O LEU A 118 17.652 9.862 -3.328 1.00 0.00 O ATOM 916 CB LEU A 118 15.555 6.855 -4.324 1.00 0.00 C ATOM 917 CG LEU A 118 15.955 5.340 -4.411 1.00 0.00 C ATOM 918 CD1 LEU A 118 14.725 4.568 -4.024 1.00 0.00 C ATOM 919 CD2 LEU A 118 16.185 4.792 -5.808 1.00 0.00 C ATOM 0 H LEU A 118 17.217 6.468 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 118 17.549 7.451 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.619 6.950 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.376 7.240 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 118 16.862 5.251 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.938 3.500 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.428 4.841 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.916 4.803 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.456 3.738 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.273 4.898 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.992 5.346 -6.288 1.00 0.00 H new ATOM 920 N ASP A 119 15.986 9.687 -4.844 1.00 0.00 N ATOM 921 CA ASP A 119 16.303 10.920 -5.591 1.00 0.00 C ATOM 922 C ASP A 119 15.047 11.458 -6.266 1.00 0.00 C ATOM 923 O ASP A 119 14.645 12.594 -5.995 1.00 0.00 O ATOM 924 CB ASP A 119 17.542 10.630 -6.446 1.00 0.00 C ATOM 925 CG ASP A 119 18.542 11.743 -6.643 1.00 0.00 C ATOM 926 OD1 ASP A 119 19.028 12.216 -5.450 1.00 0.00 O ATOM 927 OD2 ASP A 119 18.900 12.158 -7.742 1.00 0.00 O ATOM 0 H ASP A 119 15.106 9.250 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 119 16.594 11.766 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 119 18.066 9.785 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.201 10.309 -7.430 1.00 0.00 H new ATOM 928 N THR A 120 14.392 10.613 -7.062 1.00 0.00 N ATOM 929 CA THR A 120 12.957 10.720 -7.390 1.00 0.00 C ATOM 930 C THR A 120 12.770 11.367 -8.754 1.00 0.00 C ATOM 931 O THR A 120 12.118 12.404 -8.901 1.00 0.00 O ATOM 932 CB THR A 120 12.007 11.077 -6.206 1.00 0.00 C ATOM 933 OG1 THR A 120 11.953 12.466 -5.895 1.00 0.00 O ATOM 934 CG2 THR A 120 12.414 10.256 -4.952 1.00 0.00 C ATOM 0 H THR A 120 14.846 9.817 -7.509 1.00 0.00 H new ATOM 0 HA THR A 120 12.545 9.722 -7.536 1.00 0.00 H new ATOM 0 HB THR A 120 10.999 10.814 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 120 12.863 12.825 -5.841 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.751 10.504 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 120 12.336 9.191 -5.173 1.00 0.00 H new ATOM 0 HG23 THR A 120 13.442 10.495 -4.678 1.00 0.00 H new ATOM 935 N LYS A 121 13.363 10.679 -9.757 1.00 0.00 N ATOM 936 CA LYS A 121 13.363 11.140 -11.190 1.00 0.00 C ATOM 937 C LYS A 121 13.751 9.943 -12.136 1.00 0.00 C ATOM 938 O LYS A 121 13.003 9.524 -13.018 1.00 0.00 O ATOM 939 CB LYS A 121 14.287 12.374 -11.283 1.00 0.00 C ATOM 940 CG LYS A 121 15.739 12.079 -10.862 1.00 0.00 C ATOM 941 CD LYS A 121 16.461 13.262 -10.228 1.00 0.00 C ATOM 942 CE LYS A 121 16.085 13.284 -8.733 1.00 0.00 C ATOM 943 NZ LYS A 121 16.602 14.467 -8.022 1.00 0.00 N ATOM 0 H LYS A 121 13.853 9.796 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 121 12.376 11.453 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 121 14.281 12.747 -12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.887 13.168 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.739 11.248 -10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.300 11.753 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.540 13.164 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.168 14.194 -10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.000 13.256 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 121 16.470 12.383 -8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.316 14.424 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.640 14.484 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 16.215 15.329 -8.456 1.00 0.00 H new ATOM 944 N LYS A 122 14.917 9.395 -11.812 1.00 0.00 N ATOM 945 CA LYS A 122 15.411 8.055 -12.097 1.00 0.00 C ATOM 946 C LYS A 122 14.482 6.933 -11.471 1.00 0.00 C ATOM 947 O LYS A 122 13.967 6.021 -12.114 1.00 0.00 O ATOM 948 CB LYS A 122 16.746 8.162 -11.202 1.00 0.00 C ATOM 949 CG LYS A 122 17.959 8.598 -11.937 1.00 0.00 C ATOM 950 CD LYS A 122 19.177 8.952 -11.103 1.00 0.00 C ATOM 951 CE LYS A 122 19.142 10.424 -10.679 1.00 0.00 C ATOM 952 NZ LYS A 122 20.395 10.825 -10.017 1.00 0.00 N ATOM 0 H LYS A 122 15.608 9.934 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 122 15.500 7.798 -13.153 1.00 0.00 H new ATOM 0 HB2 LYS A 122 16.563 8.861 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 122 16.942 7.189 -10.751 1.00 0.00 H new ATOM 0 HG2 LYS A 122 18.240 7.804 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 122 17.696 9.467 -12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 122 19.214 8.316 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.084 8.756 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.975 11.052 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.303 10.589 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 20.175 11.349 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.950 9.977 -9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.946 11.432 -10.656 1.00 0.00 H new ATOM 953 N TYR A 123 14.310 7.191 -10.190 1.00 0.00 N ATOM 954 CA TYR A 123 13.619 6.496 -9.115 1.00 0.00 C ATOM 955 C TYR A 123 12.134 6.829 -9.134 1.00 0.00 C ATOM 956 O TYR A 123 11.332 5.894 -9.064 1.00 0.00 O ATOM 957 CB TYR A 123 14.545 7.110 -8.030 1.00 0.00 C ATOM 958 CG TYR A 123 16.063 6.656 -8.110 1.00 0.00 C ATOM 959 CD1 TYR A 123 16.541 5.564 -8.869 1.00 0.00 C ATOM 960 CD2 TYR A 123 16.981 7.461 -7.488 1.00 0.00 C ATOM 961 CE1 TYR A 123 17.898 5.437 -9.119 1.00 0.00 C ATOM 962 CE2 TYR A 123 18.339 7.328 -7.732 1.00 0.00 C ATOM 963 CZ TYR A 123 18.812 6.304 -8.543 1.00 0.00 C ATOM 964 OH TYR A 123 20.127 6.258 -8.903 1.00 0.00 O ATOM 0 H TYR A 123 14.726 8.044 -9.816 1.00 0.00 H new ATOM 0 HA TYR A 123 13.524 5.411 -9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 123 14.502 8.196 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 123 14.154 6.846 -7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 123 15.849 4.829 -9.254 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.640 8.214 -6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.248 4.651 -9.772 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.034 8.025 -7.289 1.00 0.00 H new ATOM 0 HH TYR A 123 20.627 6.936 -8.402 1.00 0.00 H new ATOM 965 N CYS A 124 11.760 8.131 -9.317 1.00 0.00 N ATOM 966 CA CYS A 124 10.414 8.542 -9.711 1.00 0.00 C ATOM 967 C CYS A 124 10.280 8.569 -11.247 1.00 0.00 C ATOM 968 O CYS A 124 10.340 9.596 -11.924 1.00 0.00 O ATOM 969 CB CYS A 124 9.759 9.756 -9.060 1.00 0.00 C ATOM 970 SG CYS A 124 9.304 9.560 -7.350 1.00 0.00 S ATOM 971 OXT CYS A 124 10.078 7.316 -11.772 1.00 0.00 O ATOM 0 H CYS A 124 12.401 8.914 -9.190 1.00 0.00 H new ATOM 0 HA CYS A 124 9.812 7.750 -9.265 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.442 10.602 -9.141 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.865 10.012 -9.628 1.00 0.00 H new