USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1106 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 108 SER OG : rot 180:sc= 1.04 USER MOD Set 1.2: A 124 THR OG1 : rot -93:sc= 1.23 USER MOD Set 2.1: A 95 CYS SG : rot -169:sc= -2.11 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.69 K(o=-3.8,f=-6.6!) USER MOD Set 3.1: A 37 SER OG : rot -156:sc= 0.446 USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= -0.0816 USER MOD Set 4.1: A 4 SER OG : rot -150:sc= -2.49 USER MOD Set 4.2: A 45 GLN : amide:sc= -1.58 K(o=-4.1,f=-5.7) USER MOD Set 5.1: A 2 ASN : amide:sc= -2.64 K(o=-5.6,f=-11!) USER MOD Set 5.2: A 91 ASN : amide:sc= -2.91 K(o=-5.6,f=-11!) USER MOD Single : A 6 ASN : amide:sc= -2.54 K(o=-2.5,f=-4.6!) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= -0.166 (180deg=-0.17) USER MOD Single : A 12 SER OG : rot -160:sc= -0.73 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.876 F(o=-1.5,f=-0.88) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.19 K(o=-0.19,f=-0.88) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0074) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 51 TYR OH : rot -30:sc= -3.78 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -0.591 (180deg=-0.592) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -3:sc= 0.019! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.6 F(o=-4,f=-1.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 75 THR OG1 : rot -68:sc= 1.41 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.82 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.353) USER MOD Single : A 83 SER OG : rot 115:sc= 0.534 USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -0.149 (180deg=-0.296) USER MOD Single : A 89 SER OG : rot 180:sc= -0.108 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -119:sc= -4.93! (180deg=-6.26!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.616) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 110 THR OG1 : rot 4:sc= 1.01 USER MOD Single : A 114 THR OG1 : rot 62:sc= 0.523 USER MOD Single : A 115 ASN : amide:sc= -0.127 K(o=-0.13,f=-2!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -3.52! USER MOD Single : A 123 MET CE :methyl -150:sc= -0.51 (180deg=-2.88!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0.0607 USER MOD Single : A 131 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 134 TYR OH : rot 150:sc= -2.12 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -15.490 -0.337 9.910 1.00 0.00 N ATOM 2 CA PRO A 1 -14.088 -0.209 9.387 1.00 0.00 C ATOM 3 C PRO A 1 -13.739 1.275 9.157 1.00 0.00 C ATOM 4 O PRO A 1 -12.709 1.743 9.596 1.00 0.00 O ATOM 5 CB PRO A 1 -13.995 -1.011 8.086 1.00 0.00 C ATOM 6 CG PRO A 1 -15.364 -1.626 7.831 1.00 0.00 C ATOM 7 CD PRO A 1 -16.276 -1.205 8.981 1.00 0.00 C ATOM 0 H2 PRO A 1 -15.924 0.583 9.985 1.00 0.00 H new ATOM 0 H3 PRO A 1 -15.482 -0.740 10.847 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.371 -0.601 10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.704 -0.366 7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.235 -1.788 8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.766 -1.284 6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.292 -2.712 7.776 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -17.143 -0.666 8.600 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.652 -2.082 9.508 1.00 0.00 H new ATOM 17 N ASN A 2 -14.611 2.016 8.500 1.00 0.00 N ATOM 18 CA ASN A 2 -14.389 3.496 8.256 1.00 0.00 C ATOM 19 C ASN A 2 -13.394 3.782 7.139 1.00 0.00 C ATOM 20 O ASN A 2 -12.820 4.847 7.090 1.00 0.00 O ATOM 21 CB ASN A 2 -13.897 4.190 9.528 1.00 0.00 C ATOM 22 CG ASN A 2 -14.770 3.782 10.717 1.00 0.00 C ATOM 23 OD1 ASN A 2 -14.543 2.758 11.329 1.00 0.00 O ATOM 24 ND2 ASN A 2 -15.766 4.547 11.071 1.00 0.00 N ATOM 0 H ASN A 2 -15.484 1.655 8.114 1.00 0.00 H new ATOM 0 HA ASN A 2 -15.360 3.888 7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -12.858 3.922 9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -13.928 5.272 9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -16.354 4.285 11.862 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -15.956 5.407 10.557 1.00 0.00 H new ATOM 31 N PHE A 3 -13.213 2.881 6.233 1.00 0.00 N ATOM 32 CA PHE A 3 -12.263 3.130 5.110 1.00 0.00 C ATOM 33 C PHE A 3 -13.015 3.666 3.885 1.00 0.00 C ATOM 34 O PHE A 3 -12.412 4.183 2.963 1.00 0.00 O ATOM 35 CB PHE A 3 -11.591 1.828 4.703 1.00 0.00 C ATOM 36 CG PHE A 3 -10.799 1.223 5.839 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.435 0.750 6.995 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.426 1.053 5.685 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.702 0.102 7.983 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.683 0.421 6.688 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.331 -0.066 7.837 1.00 0.00 C ATOM 0 H PHE A 3 -13.680 1.974 6.213 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.524 3.857 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.348 1.118 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -10.930 2.010 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.499 0.889 7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.934 1.409 4.792 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.200 -0.271 8.866 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.614 0.307 6.580 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.763 -0.570 8.605 1.00 0.00 H new ATOM 51 N SER A 4 -14.320 3.527 3.853 1.00 0.00 N ATOM 52 CA SER A 4 -15.097 4.008 2.664 1.00 0.00 C ATOM 53 C SER A 4 -14.893 5.516 2.488 1.00 0.00 C ATOM 54 O SER A 4 -15.330 6.306 3.304 1.00 0.00 O ATOM 55 CB SER A 4 -16.597 3.716 2.836 1.00 0.00 C ATOM 56 OG SER A 4 -16.797 2.779 3.887 1.00 0.00 O ATOM 0 H SER A 4 -14.878 3.104 4.594 1.00 0.00 H new ATOM 0 HA SER A 4 -14.735 3.479 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.132 4.640 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.008 3.323 1.906 1.00 0.00 H new ATOM 0 HG SER A 4 -17.601 2.249 3.704 1.00 0.00 H new ATOM 62 N GLY A 5 -14.236 5.919 1.428 1.00 0.00 N ATOM 63 CA GLY A 5 -14.005 7.374 1.197 1.00 0.00 C ATOM 64 C GLY A 5 -12.751 7.571 0.361 1.00 0.00 C ATOM 65 O GLY A 5 -11.860 6.743 0.348 1.00 0.00 O ATOM 0 H GLY A 5 -13.851 5.301 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.864 7.812 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.902 7.891 2.151 1.00 0.00 H new ATOM 69 N ASN A 6 -12.669 8.683 -0.309 1.00 0.00 N ATOM 70 CA ASN A 6 -11.468 8.983 -1.128 1.00 0.00 C ATOM 71 C ASN A 6 -10.389 9.456 -0.177 1.00 0.00 C ATOM 72 O ASN A 6 -10.692 9.903 0.916 1.00 0.00 O ATOM 73 CB ASN A 6 -11.786 10.076 -2.151 1.00 0.00 C ATOM 74 CG ASN A 6 -10.578 10.287 -3.066 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.566 10.810 -2.644 1.00 0.00 O ATOM 76 ND2 ASN A 6 -10.642 9.898 -4.310 1.00 0.00 N ATOM 0 H ASN A 6 -13.391 9.404 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.142 8.099 -1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.658 9.794 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.035 11.006 -1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.842 10.033 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.492 9.459 -4.664 1.00 0.00 H new ATOM 83 N TRP A 7 -9.138 9.329 -0.538 1.00 0.00 N ATOM 84 CA TRP A 7 -8.077 9.748 0.420 1.00 0.00 C ATOM 85 C TRP A 7 -6.996 10.589 -0.232 1.00 0.00 C ATOM 86 O TRP A 7 -6.438 10.239 -1.254 1.00 0.00 O ATOM 87 CB TRP A 7 -7.443 8.507 1.005 1.00 0.00 C ATOM 88 CG TRP A 7 -8.482 7.694 1.681 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.110 6.620 1.159 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.041 7.903 2.992 1.00 0.00 C ATOM 91 NE1 TRP A 7 -9.981 6.117 2.107 1.00 0.00 N ATOM 92 CE2 TRP A 7 -9.979 6.885 3.257 1.00 0.00 C ATOM 93 CE3 TRP A 7 -8.803 8.869 3.970 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -10.663 6.828 4.471 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -9.490 8.837 5.182 1.00 0.00 C ATOM 96 CH2 TRP A 7 -10.421 7.813 5.441 1.00 0.00 C ATOM 0 H TRP A 7 -8.812 8.962 -1.432 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.547 10.362 1.188 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -6.965 7.924 0.218 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -6.663 8.784 1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.958 6.221 0.167 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.554 5.283 1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.079 9.649 3.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.371 6.035 4.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.308 9.600 5.925 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.947 7.786 6.384 1.00 0.00 H new ATOM 107 N LYS A 8 -6.682 11.692 0.388 1.00 0.00 N ATOM 108 CA LYS A 8 -5.613 12.581 -0.136 1.00 0.00 C ATOM 109 C LYS A 8 -4.305 12.199 0.562 1.00 0.00 C ATOM 110 O LYS A 8 -4.326 11.575 1.609 1.00 0.00 O ATOM 111 CB LYS A 8 -5.930 14.060 0.182 1.00 0.00 C ATOM 112 CG LYS A 8 -7.447 14.306 0.278 1.00 0.00 C ATOM 113 CD LYS A 8 -7.860 14.400 1.750 1.00 0.00 C ATOM 114 CE LYS A 8 -7.656 15.832 2.246 1.00 0.00 C ATOM 115 NZ LYS A 8 -8.862 16.646 1.922 1.00 0.00 N ATOM 0 H LYS A 8 -7.127 12.018 1.246 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.538 12.465 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.455 14.341 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.505 14.699 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.710 15.226 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.989 13.496 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.904 14.109 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.268 13.708 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.481 15.834 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.773 16.268 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.717 17.624 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.019 16.639 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.692 16.243 2.402 1.00 0.00 H new ATOM 129 N ILE A 9 -3.174 12.570 0.007 1.00 0.00 N ATOM 130 CA ILE A 9 -1.875 12.225 0.666 1.00 0.00 C ATOM 131 C ILE A 9 -1.624 13.188 1.822 1.00 0.00 C ATOM 132 O ILE A 9 -1.976 14.351 1.768 1.00 0.00 O ATOM 133 CB ILE A 9 -0.712 12.307 -0.330 1.00 0.00 C ATOM 134 CG1 ILE A 9 -0.612 13.725 -0.900 1.00 0.00 C ATOM 135 CG2 ILE A 9 -0.934 11.310 -1.465 1.00 0.00 C ATOM 136 CD1 ILE A 9 0.404 14.531 -0.083 1.00 0.00 C ATOM 0 H ILE A 9 -3.095 13.092 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.937 11.202 1.037 1.00 0.00 H new ATOM 0 HB ILE A 9 0.217 12.064 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.307 13.688 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.587 14.211 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.105 11.371 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.989 10.301 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.866 11.545 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.477 15.541 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.079 14.579 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.379 14.048 -0.137 1.00 0.00 H new ATOM 148 N ILE A 10 -1.016 12.701 2.861 1.00 0.00 N ATOM 149 CA ILE A 10 -0.729 13.545 4.045 1.00 0.00 C ATOM 150 C ILE A 10 0.512 12.963 4.737 1.00 0.00 C ATOM 151 O ILE A 10 0.476 11.884 5.290 1.00 0.00 O ATOM 152 CB ILE A 10 -1.973 13.537 4.965 1.00 0.00 C ATOM 153 CG1 ILE A 10 -3.022 14.509 4.400 1.00 0.00 C ATOM 154 CG2 ILE A 10 -1.627 13.966 6.399 1.00 0.00 C ATOM 155 CD1 ILE A 10 -4.009 13.758 3.498 1.00 0.00 C ATOM 0 H ILE A 10 -0.700 11.734 2.940 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.523 14.581 3.777 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.359 12.518 4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.559 14.991 5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.529 15.299 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.528 13.947 7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.890 13.280 6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.217 14.976 6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.747 14.457 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.468 13.297 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.515 12.985 4.076 1.00 0.00 H new ATOM 167 N ARG A 11 1.607 13.672 4.676 1.00 0.00 N ATOM 168 CA ARG A 11 2.877 13.191 5.299 1.00 0.00 C ATOM 169 C ARG A 11 3.319 11.892 4.622 1.00 0.00 C ATOM 170 O ARG A 11 3.009 10.806 5.073 1.00 0.00 O ATOM 171 CB ARG A 11 2.673 12.963 6.803 1.00 0.00 C ATOM 172 CG ARG A 11 2.801 14.299 7.544 1.00 0.00 C ATOM 173 CD ARG A 11 1.699 15.259 7.081 1.00 0.00 C ATOM 174 NE ARG A 11 1.199 16.039 8.248 1.00 0.00 N ATOM 175 CZ ARG A 11 1.096 17.338 8.169 1.00 0.00 C ATOM 176 NH1 ARG A 11 2.167 18.081 8.211 1.00 0.00 N ATOM 177 NH2 ARG A 11 -0.079 17.893 8.047 1.00 0.00 N ATOM 0 H ARG A 11 1.677 14.579 4.214 1.00 0.00 H new ATOM 0 HA ARG A 11 3.652 13.945 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.691 12.526 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.412 12.255 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.726 14.137 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.781 14.738 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.086 15.934 6.318 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.881 14.699 6.626 1.00 0.00 H new ATOM 0 HE ARG A 11 0.937 15.558 9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.085 17.647 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.086 19.096 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.917 17.312 8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.160 18.908 7.985 1.00 0.00 H new ATOM 191 N SER A 12 4.042 12.006 3.535 1.00 0.00 N ATOM 192 CA SER A 12 4.516 10.793 2.805 1.00 0.00 C ATOM 193 C SER A 12 6.000 10.954 2.459 1.00 0.00 C ATOM 194 O SER A 12 6.353 11.642 1.520 1.00 0.00 O ATOM 195 CB SER A 12 3.712 10.633 1.510 1.00 0.00 C ATOM 196 OG SER A 12 4.177 9.488 0.806 1.00 0.00 O ATOM 0 H SER A 12 4.325 12.894 3.121 1.00 0.00 H new ATOM 0 HA SER A 12 4.379 9.914 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.651 10.528 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.818 11.523 0.890 1.00 0.00 H new ATOM 0 HG SER A 12 3.911 9.552 -0.135 1.00 0.00 H new ATOM 202 N GLU A 13 6.867 10.321 3.208 1.00 0.00 N ATOM 203 CA GLU A 13 8.330 10.428 2.926 1.00 0.00 C ATOM 204 C GLU A 13 8.988 9.064 3.158 1.00 0.00 C ATOM 205 O GLU A 13 9.799 8.893 4.050 1.00 0.00 O ATOM 206 CB GLU A 13 8.955 11.473 3.856 1.00 0.00 C ATOM 207 CG GLU A 13 10.222 12.038 3.212 1.00 0.00 C ATOM 208 CD GLU A 13 10.384 13.507 3.608 1.00 0.00 C ATOM 209 OE1 GLU A 13 10.072 13.832 4.742 1.00 0.00 O ATOM 210 OE2 GLU A 13 10.818 14.281 2.771 1.00 0.00 O ATOM 0 H GLU A 13 6.623 9.733 4.005 1.00 0.00 H new ATOM 0 HA GLU A 13 8.485 10.734 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.243 12.276 4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.194 11.022 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.092 11.466 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.163 11.947 2.127 1.00 0.00 H new ATOM 217 N ASN A 14 8.625 8.090 2.365 1.00 0.00 N ATOM 218 CA ASN A 14 9.204 6.722 2.533 1.00 0.00 C ATOM 219 C ASN A 14 9.834 6.225 1.222 1.00 0.00 C ATOM 220 O ASN A 14 10.644 5.326 1.243 1.00 0.00 O ATOM 221 CB ASN A 14 8.093 5.763 2.951 1.00 0.00 C ATOM 222 CG ASN A 14 8.020 5.696 4.477 1.00 0.00 C ATOM 223 OD1 ASN A 14 8.762 4.832 5.116 1.00 0.00 O flip ATOM 224 ND2 ASN A 14 7.282 6.436 5.095 1.00 0.00 N flip ATOM 0 H ASN A 14 7.950 8.182 1.606 1.00 0.00 H new ATOM 0 HA ASN A 14 9.982 6.762 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.138 6.098 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.283 4.771 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.702 7.111 4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.242 6.383 6.113 1.00 0.00 H new ATOM 231 N PHE A 15 9.461 6.790 0.088 1.00 0.00 N ATOM 232 CA PHE A 15 10.022 6.343 -1.242 1.00 0.00 C ATOM 233 C PHE A 15 11.553 6.159 -1.171 1.00 0.00 C ATOM 234 O PHE A 15 12.073 5.122 -1.536 1.00 0.00 O ATOM 235 CB PHE A 15 9.672 7.401 -2.310 1.00 0.00 C ATOM 236 CG PHE A 15 9.679 6.828 -3.733 1.00 0.00 C ATOM 237 CD1 PHE A 15 10.501 5.745 -4.084 1.00 0.00 C ATOM 238 CD2 PHE A 15 8.874 7.420 -4.718 1.00 0.00 C ATOM 239 CE1 PHE A 15 10.520 5.260 -5.388 1.00 0.00 C ATOM 240 CE2 PHE A 15 8.897 6.930 -6.035 1.00 0.00 C ATOM 241 CZ PHE A 15 9.727 5.847 -6.366 1.00 0.00 C ATOM 0 H PHE A 15 8.784 7.551 0.026 1.00 0.00 H new ATOM 0 HA PHE A 15 9.582 5.381 -1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.688 7.817 -2.095 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.386 8.223 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 15 11.125 5.283 -3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.236 8.253 -4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.154 4.423 -5.641 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.277 7.386 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.749 5.471 -7.378 1.00 0.00 H new ATOM 251 N GLU A 16 12.279 7.133 -0.715 1.00 0.00 N ATOM 252 CA GLU A 16 13.761 6.967 -0.651 1.00 0.00 C ATOM 253 C GLU A 16 14.104 5.898 0.377 1.00 0.00 C ATOM 254 O GLU A 16 15.024 5.122 0.188 1.00 0.00 O ATOM 255 CB GLU A 16 14.429 8.293 -0.283 1.00 0.00 C ATOM 256 CG GLU A 16 14.008 9.372 -1.283 1.00 0.00 C ATOM 257 CD GLU A 16 14.025 10.739 -0.597 1.00 0.00 C ATOM 258 OE1 GLU A 16 13.093 11.023 0.139 1.00 0.00 O ATOM 259 OE2 GLU A 16 14.968 11.480 -0.819 1.00 0.00 O ATOM 0 H GLU A 16 11.921 8.030 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 16 14.131 6.658 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.145 8.588 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.513 8.180 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.684 9.374 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.010 9.158 -1.666 1.00 0.00 H new ATOM 266 N GLU A 17 13.354 5.821 1.443 1.00 0.00 N ATOM 267 CA GLU A 17 13.615 4.765 2.463 1.00 0.00 C ATOM 268 C GLU A 17 13.449 3.386 1.802 1.00 0.00 C ATOM 269 O GLU A 17 13.988 2.401 2.259 1.00 0.00 O ATOM 270 CB GLU A 17 12.611 4.913 3.610 1.00 0.00 C ATOM 271 CG GLU A 17 13.304 4.635 4.943 1.00 0.00 C ATOM 272 CD GLU A 17 12.663 5.487 6.040 1.00 0.00 C ATOM 273 OE1 GLU A 17 12.881 6.687 6.034 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.964 4.925 6.867 1.00 0.00 O ATOM 0 H GLU A 17 12.573 6.443 1.652 1.00 0.00 H new ATOM 0 HA GLU A 17 14.627 4.864 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.191 5.919 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.780 4.221 3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.221 3.578 5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.367 4.862 4.866 1.00 0.00 H new ATOM 281 N LEU A 18 12.703 3.325 0.722 1.00 0.00 N ATOM 282 CA LEU A 18 12.483 2.038 0.009 1.00 0.00 C ATOM 283 C LEU A 18 13.722 1.673 -0.777 1.00 0.00 C ATOM 284 O LEU A 18 14.197 0.560 -0.708 1.00 0.00 O ATOM 285 CB LEU A 18 11.318 2.159 -0.982 1.00 0.00 C ATOM 286 CG LEU A 18 10.185 3.046 -0.464 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.984 2.863 -1.375 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.780 2.686 0.961 1.00 0.00 C ATOM 0 H LEU A 18 12.233 4.128 0.304 1.00 0.00 H new ATOM 0 HA LEU A 18 12.257 1.275 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.689 2.565 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.925 1.165 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 18 10.533 4.079 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.162 3.487 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.251 3.152 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.675 1.818 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.973 3.342 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.441 1.650 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.636 2.808 1.624 1.00 0.00 H new ATOM 300 N LEU A 19 14.254 2.602 -1.524 1.00 0.00 N ATOM 301 CA LEU A 19 15.475 2.295 -2.307 1.00 0.00 C ATOM 302 C LEU A 19 16.720 2.431 -1.400 1.00 0.00 C ATOM 303 O LEU A 19 17.843 2.317 -1.852 1.00 0.00 O ATOM 304 CB LEU A 19 15.564 3.239 -3.522 1.00 0.00 C ATOM 305 CG LEU A 19 14.247 3.223 -4.355 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.530 1.859 -4.280 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.310 4.314 -3.839 1.00 0.00 C ATOM 0 H LEU A 19 13.896 3.552 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 19 15.431 1.270 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.768 4.254 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.400 2.941 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 19 14.511 3.404 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.618 1.894 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.187 1.081 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.278 1.637 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.387 4.306 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.080 4.130 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.793 5.286 -3.939 1.00 0.00 H new ATOM 319 N LYS A 20 16.521 2.658 -0.116 1.00 0.00 N ATOM 320 CA LYS A 20 17.652 2.784 0.837 1.00 0.00 C ATOM 321 C LYS A 20 17.698 1.540 1.739 1.00 0.00 C ATOM 322 O LYS A 20 18.731 1.176 2.266 1.00 0.00 O ATOM 323 CB LYS A 20 17.411 4.018 1.706 1.00 0.00 C ATOM 324 CG LYS A 20 18.059 5.238 1.056 1.00 0.00 C ATOM 325 CD LYS A 20 18.229 6.344 2.099 1.00 0.00 C ATOM 326 CE LYS A 20 18.765 7.607 1.422 1.00 0.00 C ATOM 327 NZ LYS A 20 19.602 8.372 2.389 1.00 0.00 N ATOM 0 H LYS A 20 15.599 2.761 0.308 1.00 0.00 H new ATOM 0 HA LYS A 20 18.593 2.876 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.341 4.185 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.826 3.861 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 20 19.028 4.968 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.442 5.594 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.274 6.554 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.915 6.019 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.355 7.340 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.937 8.225 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.967 9.231 1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.025 8.638 3.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.399 7.781 2.701 1.00 0.00 H new ATOM 341 N VAL A 21 16.573 0.893 1.914 1.00 0.00 N ATOM 342 CA VAL A 21 16.499 -0.321 2.766 1.00 0.00 C ATOM 343 C VAL A 21 16.571 -1.557 1.870 1.00 0.00 C ATOM 344 O VAL A 21 17.089 -2.588 2.255 1.00 0.00 O ATOM 345 CB VAL A 21 15.177 -0.312 3.540 1.00 0.00 C ATOM 346 CG1 VAL A 21 15.110 0.928 4.432 1.00 0.00 C ATOM 347 CG2 VAL A 21 13.990 -0.300 2.569 1.00 0.00 C ATOM 0 H VAL A 21 15.686 1.166 1.490 1.00 0.00 H new ATOM 0 HA VAL A 21 17.327 -0.337 3.474 1.00 0.00 H new ATOM 0 HB VAL A 21 15.127 -1.211 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.168 0.931 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.941 0.914 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.173 1.824 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.058 -0.294 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.041 0.591 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.026 -1.189 1.939 1.00 0.00 H new ATOM 357 N LEU A 22 16.078 -1.443 0.659 1.00 0.00 N ATOM 358 CA LEU A 22 16.138 -2.586 -0.294 1.00 0.00 C ATOM 359 C LEU A 22 17.615 -2.949 -0.530 1.00 0.00 C ATOM 360 O LEU A 22 17.929 -4.037 -0.976 1.00 0.00 O ATOM 361 CB LEU A 22 15.379 -2.208 -1.604 1.00 0.00 C ATOM 362 CG LEU A 22 16.253 -1.543 -2.703 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.185 -0.469 -2.133 1.00 0.00 C ATOM 364 CD2 LEU A 22 17.078 -2.608 -3.423 1.00 0.00 C ATOM 0 H LEU A 22 15.635 -0.600 0.292 1.00 0.00 H new ATOM 0 HA LEU A 22 15.644 -3.470 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.927 -3.110 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.564 -1.531 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 22 15.577 -1.054 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.775 -0.034 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.592 0.311 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.852 -0.919 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.689 -2.136 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.724 -3.114 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.410 -3.335 -3.885 1.00 0.00 H new ATOM 376 N GLY A 23 18.522 -2.047 -0.209 1.00 0.00 N ATOM 377 CA GLY A 23 19.957 -2.336 -0.385 1.00 0.00 C ATOM 378 C GLY A 23 20.629 -1.201 -1.136 1.00 0.00 C ATOM 379 O GLY A 23 20.961 -1.323 -2.300 1.00 0.00 O ATOM 0 H GLY A 23 18.311 -1.123 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.431 -2.470 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.083 -3.270 -0.933 1.00 0.00 H new ATOM 383 N VAL A 24 20.837 -0.095 -0.473 1.00 0.00 N ATOM 384 CA VAL A 24 21.501 1.073 -1.129 1.00 0.00 C ATOM 385 C VAL A 24 22.821 0.616 -1.790 1.00 0.00 C ATOM 386 O VAL A 24 23.539 -0.214 -1.266 1.00 0.00 O ATOM 387 CB VAL A 24 21.714 2.182 -0.058 1.00 0.00 C ATOM 388 CG1 VAL A 24 23.201 2.430 0.266 1.00 0.00 C ATOM 389 CG2 VAL A 24 21.100 3.493 -0.559 1.00 0.00 C ATOM 0 H VAL A 24 20.574 0.052 0.502 1.00 0.00 H new ATOM 0 HA VAL A 24 20.880 1.487 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 24 21.230 1.837 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.284 3.214 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.648 1.512 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.724 2.740 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 24 21.247 4.273 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 24 21.582 3.788 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 24 20.033 3.352 -0.732 1.00 0.00 H new ATOM 399 N ASN A 25 23.122 1.161 -2.931 1.00 0.00 N ATOM 400 CA ASN A 25 24.369 0.791 -3.661 1.00 0.00 C ATOM 401 C ASN A 25 24.392 1.616 -4.937 1.00 0.00 C ATOM 402 O ASN A 25 24.181 1.111 -6.020 1.00 0.00 O ATOM 403 CB ASN A 25 24.357 -0.704 -4.000 1.00 0.00 C ATOM 404 CG ASN A 25 25.795 -1.213 -4.121 1.00 0.00 C ATOM 405 OD1 ASN A 25 26.632 -0.904 -3.297 1.00 0.00 O ATOM 406 ND2 ASN A 25 26.119 -1.985 -5.122 1.00 0.00 N ATOM 0 H ASN A 25 22.547 1.861 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 25 25.252 0.987 -3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.828 -1.259 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.821 -0.871 -4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 27.075 -2.329 -5.212 1.00 0.00 H new ATOM 0 HD22 ASN A 25 25.416 -2.245 -5.814 1.00 0.00 H new ATOM 413 N VAL A 26 24.588 2.905 -4.780 1.00 0.00 N ATOM 414 CA VAL A 26 24.579 3.873 -5.926 1.00 0.00 C ATOM 415 C VAL A 26 23.138 4.296 -6.226 1.00 0.00 C ATOM 416 O VAL A 26 22.915 5.250 -6.947 1.00 0.00 O ATOM 417 CB VAL A 26 25.224 3.301 -7.198 1.00 0.00 C ATOM 418 CG1 VAL A 26 25.338 4.412 -8.239 1.00 0.00 C ATOM 419 CG2 VAL A 26 26.618 2.761 -6.869 1.00 0.00 C ATOM 0 H VAL A 26 24.760 3.340 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 26 25.177 4.733 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 26 24.610 2.490 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.795 4.016 -9.146 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.345 4.796 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.956 5.219 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.074 2.356 -7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 27.239 3.568 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 26 26.536 1.974 -6.120 1.00 0.00 H new ATOM 429 N MET A 27 22.152 3.633 -5.650 1.00 0.00 N ATOM 430 CA MET A 27 20.747 4.044 -5.875 1.00 0.00 C ATOM 431 C MET A 27 20.603 5.422 -5.243 1.00 0.00 C ATOM 432 O MET A 27 20.407 6.408 -5.927 1.00 0.00 O ATOM 433 CB MET A 27 19.801 3.052 -5.187 1.00 0.00 C ATOM 434 CG MET A 27 20.158 1.610 -5.586 1.00 0.00 C ATOM 435 SD MET A 27 18.964 0.986 -6.799 1.00 0.00 S ATOM 436 CE MET A 27 19.972 -0.381 -7.426 1.00 0.00 C ATOM 0 H MET A 27 22.274 2.827 -5.037 1.00 0.00 H new ATOM 0 HA MET A 27 20.499 4.064 -6.936 1.00 0.00 H new ATOM 0 HB2 MET A 27 19.869 3.165 -4.105 1.00 0.00 H new ATOM 0 HB3 MET A 27 18.770 3.269 -5.466 1.00 0.00 H new ATOM 0 HG2 MET A 27 21.164 1.579 -6.005 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.160 0.970 -4.704 1.00 0.00 H new ATOM 0 HE1 MET A 27 19.420 -0.915 -8.200 1.00 0.00 H new ATOM 0 HE2 MET A 27 20.898 0.012 -7.846 1.00 0.00 H new ATOM 0 HE3 MET A 27 20.205 -1.065 -6.610 1.00 0.00 H new ATOM 446 N LEU A 28 20.751 5.501 -3.934 1.00 0.00 N ATOM 447 CA LEU A 28 20.676 6.820 -3.232 1.00 0.00 C ATOM 448 C LEU A 28 19.437 7.590 -3.705 1.00 0.00 C ATOM 449 O LEU A 28 19.541 8.572 -4.413 1.00 0.00 O ATOM 450 CB LEU A 28 21.957 7.594 -3.566 1.00 0.00 C ATOM 451 CG LEU A 28 22.909 7.613 -2.359 1.00 0.00 C ATOM 452 CD1 LEU A 28 22.227 8.275 -1.159 1.00 0.00 C ATOM 453 CD2 LEU A 28 23.307 6.180 -1.992 1.00 0.00 C ATOM 0 H LEU A 28 20.921 4.701 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 28 20.592 6.684 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 22.454 7.134 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.707 8.615 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 28 23.800 8.183 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 28 22.911 8.283 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 28 21.955 9.299 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 28 21.329 7.715 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 28 23.982 6.198 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 28 22.414 5.608 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.808 5.713 -2.840 1.00 0.00 H new ATOM 465 N ARG A 29 18.262 7.108 -3.367 1.00 0.00 N ATOM 466 CA ARG A 29 17.008 7.764 -3.860 1.00 0.00 C ATOM 467 C ARG A 29 16.999 7.668 -5.398 1.00 0.00 C ATOM 468 O ARG A 29 16.350 8.436 -6.080 1.00 0.00 O ATOM 469 CB ARG A 29 16.975 9.238 -3.432 1.00 0.00 C ATOM 470 CG ARG A 29 17.287 9.359 -1.932 1.00 0.00 C ATOM 471 CD ARG A 29 18.623 10.083 -1.735 1.00 0.00 C ATOM 472 NE ARG A 29 18.408 11.555 -1.827 1.00 0.00 N ATOM 473 CZ ARG A 29 18.855 12.217 -2.860 1.00 0.00 C ATOM 474 NH1 ARG A 29 20.043 11.961 -3.335 1.00 0.00 N ATOM 475 NH2 ARG A 29 18.114 13.135 -3.417 1.00 0.00 N ATOM 0 H ARG A 29 18.118 6.291 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 29 16.134 7.267 -3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.702 9.809 -4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 29 15.994 9.664 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.489 9.905 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.330 8.368 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.048 9.827 -0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.338 9.761 -2.492 1.00 0.00 H new ATOM 0 HE ARG A 29 17.912 12.045 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.623 11.244 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 29 20.392 12.478 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.185 13.336 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.463 13.652 -4.224 1.00 0.00 H new ATOM 489 N LYS A 30 17.749 6.724 -5.938 1.00 0.00 N ATOM 490 CA LYS A 30 17.854 6.531 -7.415 1.00 0.00 C ATOM 491 C LYS A 30 18.072 7.868 -8.136 1.00 0.00 C ATOM 492 O LYS A 30 17.752 8.005 -9.301 1.00 0.00 O ATOM 493 CB LYS A 30 16.601 5.830 -7.933 1.00 0.00 C ATOM 494 CG LYS A 30 16.882 4.328 -8.050 1.00 0.00 C ATOM 495 CD LYS A 30 15.625 3.607 -8.540 1.00 0.00 C ATOM 496 CE LYS A 30 15.999 2.209 -9.036 1.00 0.00 C ATOM 497 NZ LYS A 30 14.825 1.594 -9.718 1.00 0.00 N ATOM 0 H LYS A 30 18.305 6.065 -5.393 1.00 0.00 H new ATOM 0 HA LYS A 30 18.721 5.904 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.765 6.005 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.316 6.236 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.706 4.155 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.189 3.929 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.896 3.535 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.156 4.176 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.843 2.269 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.314 1.586 -8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.078 0.643 -10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.032 1.524 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.544 2.185 -10.526 1.00 0.00 H new ATOM 511 N ILE A 31 18.654 8.834 -7.445 1.00 0.00 N ATOM 512 CA ILE A 31 18.964 10.183 -8.031 1.00 0.00 C ATOM 513 C ILE A 31 17.893 10.632 -9.037 1.00 0.00 C ATOM 514 O ILE A 31 18.177 10.932 -10.180 1.00 0.00 O ATOM 515 CB ILE A 31 20.337 10.109 -8.694 1.00 0.00 C ATOM 516 CG1 ILE A 31 21.364 9.571 -7.672 1.00 0.00 C ATOM 517 CG2 ILE A 31 20.754 11.500 -9.184 1.00 0.00 C ATOM 518 CD1 ILE A 31 21.474 10.523 -6.472 1.00 0.00 C ATOM 0 H ILE A 31 18.934 8.735 -6.469 1.00 0.00 H new ATOM 0 HA ILE A 31 18.968 10.927 -7.235 1.00 0.00 H new ATOM 0 HB ILE A 31 20.296 9.437 -9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 31 21.063 8.580 -7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.338 9.462 -8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 31 21.735 11.441 -9.656 1.00 0.00 H new ATOM 0 HG22 ILE A 31 20.025 11.865 -9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 31 20.800 12.185 -8.338 1.00 0.00 H new ATOM 0 HD11 ILE A 31 22.201 10.130 -5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 31 21.797 11.506 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 31 20.502 10.610 -5.986 1.00 0.00 H new ATOM 530 N ALA A 32 16.661 10.665 -8.602 1.00 0.00 N ATOM 531 CA ALA A 32 15.532 11.076 -9.494 1.00 0.00 C ATOM 532 C ALA A 32 14.213 10.829 -8.759 1.00 0.00 C ATOM 533 O ALA A 32 13.260 11.568 -8.906 1.00 0.00 O ATOM 534 CB ALA A 32 15.548 10.250 -10.787 1.00 0.00 C ATOM 0 H ALA A 32 16.383 10.421 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 32 15.637 12.131 -9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.721 10.559 -11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.491 10.410 -11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.443 9.193 -10.545 1.00 0.00 H new ATOM 540 N VAL A 33 14.159 9.786 -7.961 1.00 0.00 N ATOM 541 CA VAL A 33 12.917 9.457 -7.192 1.00 0.00 C ATOM 542 C VAL A 33 12.394 10.706 -6.458 1.00 0.00 C ATOM 543 O VAL A 33 12.883 11.069 -5.405 1.00 0.00 O ATOM 544 CB VAL A 33 13.254 8.348 -6.180 1.00 0.00 C ATOM 545 CG1 VAL A 33 12.064 8.069 -5.262 1.00 0.00 C ATOM 546 CG2 VAL A 33 13.615 7.070 -6.938 1.00 0.00 C ATOM 0 H VAL A 33 14.935 9.141 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 33 12.138 9.116 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 33 14.095 8.677 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.326 7.282 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 33 11.806 8.976 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 33 11.210 7.750 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.855 6.280 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.770 6.760 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.478 7.257 -7.577 1.00 0.00 H new ATOM 556 N ALA A 34 11.398 11.353 -7.012 1.00 0.00 N ATOM 557 CA ALA A 34 10.825 12.569 -6.361 1.00 0.00 C ATOM 558 C ALA A 34 9.699 13.130 -7.232 1.00 0.00 C ATOM 559 O ALA A 34 9.897 13.439 -8.392 1.00 0.00 O ATOM 560 CB ALA A 34 11.915 13.633 -6.195 1.00 0.00 C ATOM 0 H ALA A 34 10.956 11.088 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 34 10.432 12.299 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.491 14.517 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.718 13.237 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.312 13.902 -7.174 1.00 0.00 H new ATOM 566 N ALA A 35 8.520 13.263 -6.679 1.00 0.00 N ATOM 567 CA ALA A 35 7.374 13.804 -7.467 1.00 0.00 C ATOM 568 C ALA A 35 6.172 14.012 -6.543 1.00 0.00 C ATOM 569 O ALA A 35 6.219 13.693 -5.370 1.00 0.00 O ATOM 570 CB ALA A 35 7.002 12.815 -8.573 1.00 0.00 C ATOM 0 H ALA A 35 8.302 13.019 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 35 7.659 14.757 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.165 13.210 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.858 12.667 -9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.718 11.861 -8.128 1.00 0.00 H new ATOM 576 N ALA A 36 5.097 14.545 -7.066 1.00 0.00 N ATOM 577 CA ALA A 36 3.885 14.778 -6.226 1.00 0.00 C ATOM 578 C ALA A 36 2.632 14.674 -7.098 1.00 0.00 C ATOM 579 O ALA A 36 2.715 14.603 -8.310 1.00 0.00 O ATOM 580 CB ALA A 36 3.957 16.174 -5.603 1.00 0.00 C ATOM 0 H ALA A 36 5.007 14.829 -8.041 1.00 0.00 H new ATOM 0 HA ALA A 36 3.841 14.028 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.072 16.345 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.849 16.250 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.001 16.923 -6.393 1.00 0.00 H new ATOM 586 N SER A 37 1.474 14.663 -6.488 1.00 0.00 N ATOM 587 CA SER A 37 0.209 14.563 -7.274 1.00 0.00 C ATOM 588 C SER A 37 -0.957 15.087 -6.432 1.00 0.00 C ATOM 589 O SER A 37 -0.894 15.111 -5.217 1.00 0.00 O ATOM 590 CB SER A 37 -0.047 13.102 -7.645 1.00 0.00 C ATOM 591 OG SER A 37 1.126 12.555 -8.232 1.00 0.00 O ATOM 0 H SER A 37 1.351 14.719 -5.477 1.00 0.00 H new ATOM 0 HA SER A 37 0.298 15.158 -8.183 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.323 12.532 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.883 13.033 -8.341 1.00 0.00 H new ATOM 0 HG SER A 37 0.884 11.792 -8.798 1.00 0.00 H new ATOM 597 N LYS A 38 -2.020 15.505 -7.072 1.00 0.00 N ATOM 598 CA LYS A 38 -3.197 16.029 -6.319 1.00 0.00 C ATOM 599 C LYS A 38 -3.980 14.856 -5.693 1.00 0.00 C ATOM 600 O LYS A 38 -4.208 14.859 -4.500 1.00 0.00 O ATOM 601 CB LYS A 38 -4.107 16.820 -7.271 1.00 0.00 C ATOM 602 CG LYS A 38 -4.021 18.316 -6.951 1.00 0.00 C ATOM 603 CD LYS A 38 -5.052 18.668 -5.877 1.00 0.00 C ATOM 604 CE LYS A 38 -4.691 20.014 -5.243 1.00 0.00 C ATOM 605 NZ LYS A 38 -4.949 21.108 -6.222 1.00 0.00 N ATOM 0 H LYS A 38 -2.122 15.505 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.853 16.689 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.809 16.642 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.137 16.477 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.019 18.568 -6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.203 18.902 -7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.048 18.717 -6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.078 17.890 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.280 20.173 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.643 20.018 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.769 22.027 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.319 20.996 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.939 21.065 -6.537 1.00 0.00 H new ATOM 619 N PRO A 39 -4.375 13.878 -6.496 1.00 0.00 N ATOM 620 CA PRO A 39 -5.128 12.718 -5.984 1.00 0.00 C ATOM 621 C PRO A 39 -4.183 11.739 -5.281 1.00 0.00 C ATOM 622 O PRO A 39 -2.991 11.968 -5.201 1.00 0.00 O ATOM 623 CB PRO A 39 -5.731 12.087 -7.243 1.00 0.00 C ATOM 624 CG PRO A 39 -4.856 12.554 -8.428 1.00 0.00 C ATOM 625 CD PRO A 39 -4.121 13.824 -7.961 1.00 0.00 C ATOM 0 HA PRO A 39 -5.886 12.991 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.735 11.000 -7.168 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.766 12.401 -7.377 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.145 11.778 -8.714 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.470 12.762 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.054 13.769 -8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.503 14.712 -8.464 1.00 0.00 H new ATOM 633 N ALA A 40 -4.708 10.652 -4.773 1.00 0.00 N ATOM 634 CA ALA A 40 -3.845 9.656 -4.072 1.00 0.00 C ATOM 635 C ALA A 40 -4.482 8.271 -4.151 1.00 0.00 C ATOM 636 O ALA A 40 -3.825 7.291 -4.448 1.00 0.00 O ATOM 637 CB ALA A 40 -3.690 10.054 -2.607 1.00 0.00 C ATOM 0 H ALA A 40 -5.699 10.412 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.867 9.633 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.060 9.326 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.229 11.040 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.671 10.081 -2.132 1.00 0.00 H new ATOM 643 N VAL A 41 -5.756 8.186 -3.876 1.00 0.00 N ATOM 644 CA VAL A 41 -6.449 6.870 -3.918 1.00 0.00 C ATOM 645 C VAL A 41 -7.949 7.094 -3.718 1.00 0.00 C ATOM 646 O VAL A 41 -8.389 8.198 -3.457 1.00 0.00 O ATOM 647 CB VAL A 41 -5.860 5.961 -2.806 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.473 6.277 -1.438 1.00 0.00 C ATOM 649 CG2 VAL A 41 -6.107 4.486 -3.142 1.00 0.00 C ATOM 0 H VAL A 41 -6.348 8.977 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.300 6.380 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.789 6.155 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.037 5.622 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.268 7.316 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.551 6.119 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.689 3.859 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.179 4.305 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.629 4.244 -4.091 1.00 0.00 H new ATOM 659 N GLU A 42 -8.721 6.053 -3.806 1.00 0.00 N ATOM 660 CA GLU A 42 -10.182 6.189 -3.583 1.00 0.00 C ATOM 661 C GLU A 42 -10.737 4.842 -3.159 1.00 0.00 C ATOM 662 O GLU A 42 -10.803 3.912 -3.937 1.00 0.00 O ATOM 663 CB GLU A 42 -10.873 6.676 -4.853 1.00 0.00 C ATOM 664 CG GLU A 42 -10.541 5.734 -6.009 1.00 0.00 C ATOM 665 CD GLU A 42 -10.594 6.504 -7.330 1.00 0.00 C ATOM 666 OE1 GLU A 42 -9.684 7.277 -7.579 1.00 0.00 O ATOM 667 OE2 GLU A 42 -11.544 6.307 -8.069 1.00 0.00 O ATOM 0 H GLU A 42 -8.402 5.109 -4.024 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.367 6.924 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.952 6.715 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.548 7.689 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.550 5.303 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.249 4.905 -6.031 1.00 0.00 H new ATOM 674 N ILE A 43 -11.118 4.732 -1.920 1.00 0.00 N ATOM 675 CA ILE A 43 -11.645 3.444 -1.416 1.00 0.00 C ATOM 676 C ILE A 43 -13.161 3.410 -1.537 1.00 0.00 C ATOM 677 O ILE A 43 -13.843 4.406 -1.393 1.00 0.00 O ATOM 678 CB ILE A 43 -11.217 3.252 0.035 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.690 3.356 0.118 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.662 1.872 0.525 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.233 3.277 1.576 1.00 0.00 C ATOM 0 H ILE A 43 -11.086 5.485 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.239 2.629 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.677 4.018 0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.232 2.552 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.358 4.295 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.355 1.738 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.747 1.793 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.202 1.101 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.147 3.352 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.677 4.096 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.549 2.326 2.005 1.00 0.00 H new ATOM 693 N LYS A 44 -13.674 2.253 -1.818 1.00 0.00 N ATOM 694 CA LYS A 44 -15.135 2.074 -1.980 1.00 0.00 C ATOM 695 C LYS A 44 -15.483 0.739 -1.340 1.00 0.00 C ATOM 696 O LYS A 44 -15.267 -0.309 -1.915 1.00 0.00 O ATOM 697 CB LYS A 44 -15.447 2.064 -3.476 1.00 0.00 C ATOM 698 CG LYS A 44 -14.874 3.332 -4.109 1.00 0.00 C ATOM 699 CD LYS A 44 -15.586 3.613 -5.423 1.00 0.00 C ATOM 700 CE LYS A 44 -15.279 2.503 -6.433 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.504 2.203 -7.227 1.00 0.00 N ATOM 0 H LYS A 44 -13.127 1.402 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.713 2.871 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.015 1.180 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.524 2.016 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.995 4.176 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.804 3.213 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.661 3.678 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.266 4.576 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.470 2.812 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.941 1.607 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.297 1.449 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.264 1.891 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.807 3.059 -7.734 1.00 0.00 H new ATOM 715 N GLN A 45 -15.949 0.764 -0.122 1.00 0.00 N ATOM 716 CA GLN A 45 -16.222 -0.516 0.587 1.00 0.00 C ATOM 717 C GLN A 45 -17.673 -0.648 1.042 1.00 0.00 C ATOM 718 O GLN A 45 -18.293 0.287 1.508 1.00 0.00 O ATOM 719 CB GLN A 45 -15.307 -0.575 1.806 1.00 0.00 C ATOM 720 CG GLN A 45 -15.562 0.637 2.715 1.00 0.00 C ATOM 721 CD GLN A 45 -15.843 0.167 4.145 1.00 0.00 C ATOM 722 OE1 GLN A 45 -15.267 0.671 5.088 1.00 0.00 O ATOM 723 NE2 GLN A 45 -16.713 -0.786 4.346 1.00 0.00 N ATOM 0 H GLN A 45 -16.151 1.610 0.410 1.00 0.00 H new ATOM 0 HA GLN A 45 -16.035 -1.336 -0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.483 -1.498 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.265 -0.588 1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.696 1.299 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.408 1.213 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.197 -1.210 3.555 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.908 -1.107 5.294 1.00 0.00 H new ATOM 732 N GLU A 46 -18.187 -1.842 0.935 1.00 0.00 N ATOM 733 CA GLU A 46 -19.571 -2.131 1.377 1.00 0.00 C ATOM 734 C GLU A 46 -19.503 -3.285 2.383 1.00 0.00 C ATOM 735 O GLU A 46 -19.636 -4.441 2.023 1.00 0.00 O ATOM 736 CB GLU A 46 -20.410 -2.547 0.170 1.00 0.00 C ATOM 737 CG GLU A 46 -21.893 -2.498 0.536 1.00 0.00 C ATOM 738 CD GLU A 46 -22.501 -1.183 0.045 1.00 0.00 C ATOM 739 OE1 GLU A 46 -21.933 -0.144 0.340 1.00 0.00 O ATOM 740 OE2 GLU A 46 -23.523 -1.236 -0.619 1.00 0.00 O ATOM 0 H GLU A 46 -17.690 -2.645 0.550 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.026 -1.252 1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.210 -1.883 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -20.136 -3.553 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.417 -3.342 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -22.014 -2.585 1.616 1.00 0.00 H new ATOM 747 N GLY A 47 -19.263 -2.982 3.634 1.00 0.00 N ATOM 748 CA GLY A 47 -19.152 -4.060 4.663 1.00 0.00 C ATOM 749 C GLY A 47 -17.745 -4.660 4.597 1.00 0.00 C ATOM 750 O GLY A 47 -16.761 -3.944 4.586 1.00 0.00 O ATOM 0 H GLY A 47 -19.139 -2.033 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.344 -3.655 5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.901 -4.832 4.484 1.00 0.00 H new ATOM 754 N ASP A 48 -17.641 -5.965 4.540 1.00 0.00 N ATOM 755 CA ASP A 48 -16.300 -6.611 4.459 1.00 0.00 C ATOM 756 C ASP A 48 -15.775 -6.575 3.017 1.00 0.00 C ATOM 757 O ASP A 48 -14.689 -7.051 2.748 1.00 0.00 O ATOM 758 CB ASP A 48 -16.408 -8.053 4.929 1.00 0.00 C ATOM 759 CG ASP A 48 -17.476 -8.786 4.114 1.00 0.00 C ATOM 760 OD1 ASP A 48 -17.134 -9.324 3.074 1.00 0.00 O ATOM 761 OD2 ASP A 48 -18.618 -8.796 4.544 1.00 0.00 O ATOM 0 H ASP A 48 -18.431 -6.610 4.546 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.604 -6.067 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.446 -8.554 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.663 -8.082 5.988 1.00 0.00 H new ATOM 766 N THR A 49 -16.509 -5.995 2.095 1.00 0.00 N ATOM 767 CA THR A 49 -16.017 -5.913 0.694 1.00 0.00 C ATOM 768 C THR A 49 -15.286 -4.582 0.530 1.00 0.00 C ATOM 769 O THR A 49 -15.742 -3.563 1.012 1.00 0.00 O ATOM 770 CB THR A 49 -17.208 -5.968 -0.267 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.947 -7.158 -0.033 1.00 0.00 O ATOM 772 CG2 THR A 49 -16.711 -5.950 -1.714 1.00 0.00 C ATOM 0 H THR A 49 -17.425 -5.577 2.258 1.00 0.00 H new ATOM 0 HA THR A 49 -15.346 -6.744 0.474 1.00 0.00 H new ATOM 0 HB THR A 49 -17.847 -5.101 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.711 -7.195 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.564 -5.989 -2.392 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.147 -5.035 -1.893 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.068 -6.813 -1.889 1.00 0.00 H new ATOM 780 N PHE A 50 -14.152 -4.574 -0.123 1.00 0.00 N ATOM 781 CA PHE A 50 -13.410 -3.290 -0.284 1.00 0.00 C ATOM 782 C PHE A 50 -12.861 -3.138 -1.701 1.00 0.00 C ATOM 783 O PHE A 50 -12.498 -4.092 -2.360 1.00 0.00 O ATOM 784 CB PHE A 50 -12.245 -3.236 0.705 1.00 0.00 C ATOM 785 CG PHE A 50 -12.792 -3.336 2.099 1.00 0.00 C ATOM 786 CD1 PHE A 50 -13.105 -4.584 2.624 1.00 0.00 C ATOM 787 CD2 PHE A 50 -13.012 -2.181 2.854 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.645 -4.688 3.902 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.549 -2.282 4.143 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.870 -3.542 4.664 1.00 0.00 C ATOM 0 H PHE A 50 -13.713 -5.391 -0.547 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.109 -2.477 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.548 -4.052 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.689 -2.307 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.929 -5.475 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.768 -1.212 2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.891 -5.659 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.715 -1.393 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.291 -3.626 5.655 1.00 0.00 H new ATOM 800 N TYR A 51 -12.777 -1.919 -2.141 1.00 0.00 N ATOM 801 CA TYR A 51 -12.229 -1.605 -3.484 1.00 0.00 C ATOM 802 C TYR A 51 -11.142 -0.549 -3.237 1.00 0.00 C ATOM 803 O TYR A 51 -11.267 0.257 -2.333 1.00 0.00 O ATOM 804 CB TYR A 51 -13.397 -1.105 -4.371 1.00 0.00 C ATOM 805 CG TYR A 51 -12.966 -0.103 -5.419 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.660 1.203 -5.045 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.915 -0.473 -6.762 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.305 2.144 -6.004 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.549 0.468 -7.733 1.00 0.00 C ATOM 810 CZ TYR A 51 -12.245 1.779 -7.353 1.00 0.00 C ATOM 811 OH TYR A 51 -11.900 2.710 -8.311 1.00 0.00 O ATOM 0 H TYR A 51 -13.075 -1.102 -1.608 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.788 -2.453 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.861 -1.959 -4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.158 -0.651 -3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.699 1.486 -4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -13.157 -1.484 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -12.075 3.157 -5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.502 0.182 -8.773 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.187 3.601 -8.020 1.00 0.00 H new ATOM 821 N ILE A 52 -10.067 -0.563 -3.983 1.00 0.00 N ATOM 822 CA ILE A 52 -8.974 0.437 -3.713 1.00 0.00 C ATOM 823 C ILE A 52 -8.354 0.925 -5.025 1.00 0.00 C ATOM 824 O ILE A 52 -7.551 0.237 -5.614 1.00 0.00 O ATOM 825 CB ILE A 52 -7.841 -0.184 -2.851 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.312 -1.463 -2.115 1.00 0.00 C ATOM 827 CG2 ILE A 52 -7.335 0.854 -1.840 1.00 0.00 C ATOM 828 CD1 ILE A 52 -9.296 -1.139 -0.990 1.00 0.00 C ATOM 0 H ILE A 52 -9.894 -1.208 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.430 1.269 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.029 -0.473 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.784 -2.140 -2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.448 -1.985 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.540 0.416 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.949 1.723 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.156 1.161 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.603 -2.062 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.815 -0.483 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.172 -0.640 -1.405 1.00 0.00 H new ATOM 840 N LYS A 53 -8.697 2.111 -5.466 1.00 0.00 N ATOM 841 CA LYS A 53 -8.110 2.650 -6.734 1.00 0.00 C ATOM 842 C LYS A 53 -6.972 3.622 -6.411 1.00 0.00 C ATOM 843 O LYS A 53 -7.190 4.803 -6.215 1.00 0.00 O ATOM 844 CB LYS A 53 -9.200 3.375 -7.529 1.00 0.00 C ATOM 845 CG LYS A 53 -9.240 2.848 -8.968 1.00 0.00 C ATOM 846 CD LYS A 53 -9.822 3.921 -9.894 1.00 0.00 C ATOM 847 CE LYS A 53 -8.893 5.140 -9.934 1.00 0.00 C ATOM 848 NZ LYS A 53 -8.593 5.489 -11.351 1.00 0.00 N ATOM 0 H LYS A 53 -9.360 2.731 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.713 1.826 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.169 3.227 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.007 4.448 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.236 2.578 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.846 1.943 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.948 3.517 -10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.810 4.218 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.363 5.985 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.969 4.924 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.122 6.415 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.968 4.766 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.479 5.529 -11.894 1.00 0.00 H new ATOM 862 N THR A 54 -5.761 3.129 -6.355 1.00 0.00 N ATOM 863 CA THR A 54 -4.593 4.007 -6.044 1.00 0.00 C ATOM 864 C THR A 54 -4.213 4.827 -7.272 1.00 0.00 C ATOM 865 O THR A 54 -3.782 4.286 -8.271 1.00 0.00 O ATOM 866 CB THR A 54 -3.406 3.140 -5.647 1.00 0.00 C ATOM 867 OG1 THR A 54 -3.811 2.203 -4.658 1.00 0.00 O ATOM 868 CG2 THR A 54 -2.286 4.024 -5.096 1.00 0.00 C ATOM 0 H THR A 54 -5.530 2.148 -6.513 1.00 0.00 H new ATOM 0 HA THR A 54 -4.861 4.678 -5.228 1.00 0.00 H new ATOM 0 HB THR A 54 -3.040 2.603 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.047 1.644 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.437 3.402 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.975 4.736 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.647 4.566 -4.222 1.00 0.00 H new ATOM 876 N SER A 55 -4.354 6.127 -7.201 1.00 0.00 N ATOM 877 CA SER A 55 -3.990 6.980 -8.368 1.00 0.00 C ATOM 878 C SER A 55 -2.825 7.897 -7.989 1.00 0.00 C ATOM 879 O SER A 55 -2.939 8.726 -7.106 1.00 0.00 O ATOM 880 CB SER A 55 -5.198 7.820 -8.784 1.00 0.00 C ATOM 881 OG SER A 55 -5.361 8.902 -7.876 1.00 0.00 O ATOM 0 H SER A 55 -4.705 6.631 -6.387 1.00 0.00 H new ATOM 0 HA SER A 55 -3.690 6.346 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.059 8.199 -9.796 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.096 7.203 -8.795 1.00 0.00 H new ATOM 0 HG SER A 55 -4.697 8.830 -7.159 1.00 0.00 H new ATOM 887 N THR A 56 -1.705 7.750 -8.651 1.00 0.00 N ATOM 888 CA THR A 56 -0.525 8.606 -8.336 1.00 0.00 C ATOM 889 C THR A 56 -0.334 9.649 -9.439 1.00 0.00 C ATOM 890 O THR A 56 -0.440 10.838 -9.203 1.00 0.00 O ATOM 891 CB THR A 56 0.725 7.735 -8.238 1.00 0.00 C ATOM 892 OG1 THR A 56 0.453 6.608 -7.416 1.00 0.00 O ATOM 893 CG2 THR A 56 1.870 8.548 -7.634 1.00 0.00 C ATOM 0 H THR A 56 -1.558 7.071 -9.398 1.00 0.00 H new ATOM 0 HA THR A 56 -0.692 9.113 -7.386 1.00 0.00 H new ATOM 0 HB THR A 56 1.011 7.396 -9.234 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.254 6.047 -7.354 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.762 7.925 -7.565 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.078 9.410 -8.268 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.588 8.890 -6.638 1.00 0.00 H new ATOM 901 N THR A 57 -0.049 9.212 -10.642 1.00 0.00 N ATOM 902 CA THR A 57 0.154 10.178 -11.762 1.00 0.00 C ATOM 903 C THR A 57 -0.319 9.560 -13.080 1.00 0.00 C ATOM 904 O THR A 57 -1.162 10.112 -13.763 1.00 0.00 O ATOM 905 CB THR A 57 1.636 10.527 -11.869 1.00 0.00 C ATOM 906 OG1 THR A 57 2.122 10.924 -10.594 1.00 0.00 O ATOM 907 CG2 THR A 57 1.823 11.669 -12.869 1.00 0.00 C ATOM 0 H THR A 57 0.051 8.229 -10.894 1.00 0.00 H new ATOM 0 HA THR A 57 -0.424 11.081 -11.563 1.00 0.00 H new ATOM 0 HB THR A 57 2.191 9.654 -12.212 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.074 11.147 -10.662 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.882 11.917 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.452 11.361 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.269 12.544 -12.530 1.00 0.00 H new ATOM 915 N VAL A 58 0.219 8.422 -13.446 1.00 0.00 N ATOM 916 CA VAL A 58 -0.197 7.771 -14.725 1.00 0.00 C ATOM 917 C VAL A 58 -0.663 6.338 -14.452 1.00 0.00 C ATOM 918 O VAL A 58 -1.660 5.892 -14.988 1.00 0.00 O ATOM 919 CB VAL A 58 0.979 7.753 -15.705 1.00 0.00 C ATOM 920 CG1 VAL A 58 1.307 9.184 -16.137 1.00 0.00 C ATOM 921 CG2 VAL A 58 2.203 7.136 -15.029 1.00 0.00 C ATOM 0 H VAL A 58 0.928 7.917 -12.914 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.019 8.338 -15.162 1.00 0.00 H new ATOM 0 HB VAL A 58 0.709 7.160 -16.579 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.144 9.171 -16.835 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.437 9.626 -16.623 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.574 9.776 -15.262 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.038 7.125 -15.729 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.472 7.727 -14.153 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.973 6.116 -14.722 1.00 0.00 H new ATOM 931 N ARG A 59 0.047 5.618 -13.621 1.00 0.00 N ATOM 932 CA ARG A 59 -0.355 4.214 -13.308 1.00 0.00 C ATOM 933 C ARG A 59 -1.370 4.227 -12.164 1.00 0.00 C ATOM 934 O ARG A 59 -1.197 4.927 -11.183 1.00 0.00 O ATOM 935 CB ARG A 59 0.877 3.409 -12.888 1.00 0.00 C ATOM 936 CG ARG A 59 1.782 3.186 -14.101 1.00 0.00 C ATOM 937 CD ARG A 59 1.164 2.125 -15.013 1.00 0.00 C ATOM 938 NE ARG A 59 1.475 2.449 -16.434 1.00 0.00 N ATOM 939 CZ ARG A 59 0.717 1.985 -17.390 1.00 0.00 C ATOM 940 NH1 ARG A 59 0.687 0.704 -17.635 1.00 0.00 N ATOM 941 NH2 ARG A 59 -0.011 2.803 -18.101 1.00 0.00 N ATOM 0 H ARG A 59 0.889 5.943 -13.145 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.801 3.755 -14.191 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.422 3.940 -12.108 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.572 2.451 -12.468 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.911 4.120 -14.648 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.772 2.868 -13.775 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.555 1.140 -14.760 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.085 2.087 -14.865 1.00 0.00 H new ATOM 0 HE ARG A 59 2.280 3.033 -16.660 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.256 0.065 -17.080 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.095 0.341 -18.382 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.013 3.805 -17.909 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.603 2.440 -18.848 1.00 0.00 H new ATOM 955 N THR A 60 -2.429 3.464 -12.282 1.00 0.00 N ATOM 956 CA THR A 60 -3.456 3.441 -11.199 1.00 0.00 C ATOM 957 C THR A 60 -4.134 2.066 -11.137 1.00 0.00 C ATOM 958 O THR A 60 -5.247 1.894 -11.599 1.00 0.00 O ATOM 959 CB THR A 60 -4.509 4.523 -11.472 1.00 0.00 C ATOM 960 OG1 THR A 60 -3.869 5.787 -11.569 1.00 0.00 O ATOM 961 CG2 THR A 60 -5.536 4.557 -10.333 1.00 0.00 C ATOM 0 H THR A 60 -2.625 2.859 -13.079 1.00 0.00 H new ATOM 0 HA THR A 60 -2.969 3.635 -10.244 1.00 0.00 H new ATOM 0 HB THR A 60 -5.022 4.296 -12.407 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.539 6.480 -11.745 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.279 5.328 -10.536 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.030 3.588 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.030 4.779 -9.393 1.00 0.00 H new ATOM 969 N THR A 61 -3.482 1.097 -10.546 1.00 0.00 N ATOM 970 CA THR A 61 -4.098 -0.257 -10.425 1.00 0.00 C ATOM 971 C THR A 61 -5.054 -0.238 -9.231 1.00 0.00 C ATOM 972 O THR A 61 -4.994 0.657 -8.408 1.00 0.00 O ATOM 973 CB THR A 61 -3.006 -1.302 -10.196 1.00 0.00 C ATOM 974 OG1 THR A 61 -2.076 -1.256 -11.269 1.00 0.00 O ATOM 975 CG2 THR A 61 -3.632 -2.696 -10.118 1.00 0.00 C ATOM 0 H THR A 61 -2.550 1.186 -10.142 1.00 0.00 H new ATOM 0 HA THR A 61 -4.638 -0.511 -11.338 1.00 0.00 H new ATOM 0 HB THR A 61 -2.492 -1.088 -9.259 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.374 -1.924 -11.123 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.850 -3.437 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.342 -2.730 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.150 -2.915 -11.052 1.00 0.00 H new ATOM 983 N GLU A 62 -5.937 -1.204 -9.124 1.00 0.00 N ATOM 984 CA GLU A 62 -6.883 -1.201 -7.970 1.00 0.00 C ATOM 985 C GLU A 62 -7.290 -2.632 -7.590 1.00 0.00 C ATOM 986 O GLU A 62 -7.625 -3.433 -8.443 1.00 0.00 O ATOM 987 CB GLU A 62 -8.124 -0.349 -8.333 1.00 0.00 C ATOM 988 CG GLU A 62 -9.063 -1.085 -9.295 1.00 0.00 C ATOM 989 CD GLU A 62 -8.351 -1.334 -10.625 1.00 0.00 C ATOM 990 OE1 GLU A 62 -7.998 -0.365 -11.276 1.00 0.00 O ATOM 991 OE2 GLU A 62 -8.171 -2.490 -10.971 1.00 0.00 O ATOM 0 H GLU A 62 -6.041 -1.981 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.389 -0.763 -7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.666 -0.092 -7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.801 0.588 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.377 -2.033 -8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.965 -0.495 -9.460 1.00 0.00 H new ATOM 998 N ILE A 63 -7.288 -2.947 -6.311 1.00 0.00 N ATOM 999 CA ILE A 63 -7.707 -4.319 -5.891 1.00 0.00 C ATOM 1000 C ILE A 63 -9.199 -4.310 -5.608 1.00 0.00 C ATOM 1001 O ILE A 63 -9.664 -3.725 -4.649 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.947 -4.817 -4.645 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -7.076 -3.822 -3.473 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.486 -5.022 -5.014 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -6.182 -4.257 -2.300 1.00 0.00 C ATOM 0 H ILE A 63 -7.018 -2.320 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.468 -5.004 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.382 -5.760 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.793 -2.823 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.114 -3.768 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.936 -5.374 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.412 -5.761 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.061 -4.078 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.284 -3.545 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.485 -5.247 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.143 -4.288 -2.627 1.00 0.00 H new ATOM 1017 N ASN A 64 -9.947 -4.976 -6.434 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.409 -5.049 -6.217 1.00 0.00 C ATOM 1019 C ASN A 64 -11.630 -6.378 -5.535 1.00 0.00 C ATOM 1020 O ASN A 64 -11.822 -7.396 -6.175 1.00 0.00 O ATOM 1021 CB ASN A 64 -12.159 -5.012 -7.553 1.00 0.00 C ATOM 1022 CG ASN A 64 -12.274 -3.574 -8.069 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -11.322 -2.715 -7.826 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 -13.250 -3.226 -8.704 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.605 -5.476 -7.255 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.776 -4.209 -5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.636 -5.626 -8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.154 -5.440 -7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.997 -3.893 -8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.322 -2.267 -9.044 1.00 0.00 H new ATOM 1031 N PHE A 65 -11.501 -6.387 -4.246 1.00 0.00 N ATOM 1032 CA PHE A 65 -11.586 -7.672 -3.506 1.00 0.00 C ATOM 1033 C PHE A 65 -12.564 -7.610 -2.323 1.00 0.00 C ATOM 1034 O PHE A 65 -13.346 -6.697 -2.175 1.00 0.00 O ATOM 1035 CB PHE A 65 -10.165 -7.964 -2.980 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.820 -6.997 -1.847 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -9.438 -5.675 -2.129 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.928 -7.417 -0.513 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -9.161 -4.785 -1.088 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.658 -6.524 0.527 1.00 0.00 C ATOM 1041 CZ PHE A 65 -9.274 -5.209 0.243 1.00 0.00 C ATOM 0 H PHE A 65 -11.340 -5.561 -3.669 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.957 -8.451 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.104 -8.992 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.441 -7.864 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.358 -5.345 -3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.220 -8.432 -0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.860 -3.772 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.746 -6.850 1.553 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.065 -4.521 1.049 1.00 0.00 H new ATOM 1051 N LYS A 66 -12.449 -8.588 -1.466 1.00 0.00 N ATOM 1052 CA LYS A 66 -13.254 -8.672 -0.230 1.00 0.00 C ATOM 1053 C LYS A 66 -12.271 -9.138 0.836 1.00 0.00 C ATOM 1054 O LYS A 66 -11.590 -10.128 0.649 1.00 0.00 O ATOM 1055 CB LYS A 66 -14.376 -9.694 -0.400 1.00 0.00 C ATOM 1056 CG LYS A 66 -15.709 -8.969 -0.600 1.00 0.00 C ATOM 1057 CD LYS A 66 -16.741 -9.945 -1.169 1.00 0.00 C ATOM 1058 CE LYS A 66 -17.233 -10.877 -0.059 1.00 0.00 C ATOM 1059 NZ LYS A 66 -17.479 -12.235 -0.623 1.00 0.00 N ATOM 0 H LYS A 66 -11.797 -9.363 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.725 -7.723 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.169 -10.337 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.430 -10.339 0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.061 -8.564 0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.578 -8.126 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.580 -9.395 -1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.299 -10.527 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.493 -10.932 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.149 -10.483 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.813 -12.869 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.200 -12.175 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.595 -12.610 -1.024 1.00 0.00 H new ATOM 1073 N VAL A 67 -12.137 -8.409 1.914 1.00 0.00 N ATOM 1074 CA VAL A 67 -11.138 -8.767 2.976 1.00 0.00 C ATOM 1075 C VAL A 67 -11.099 -10.280 3.271 1.00 0.00 C ATOM 1076 O VAL A 67 -10.083 -10.792 3.703 1.00 0.00 O ATOM 1077 CB VAL A 67 -11.448 -7.962 4.240 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -10.611 -8.482 5.416 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -11.075 -6.510 3.977 1.00 0.00 C ATOM 0 H VAL A 67 -12.682 -7.570 2.109 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.144 -8.511 2.610 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.505 -8.057 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.840 -7.902 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.846 -9.531 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.551 -8.383 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.287 -5.913 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.013 -6.444 3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.658 -6.131 3.138 1.00 0.00 H new ATOM 1089 N GLY A 68 -12.160 -10.999 3.027 1.00 0.00 N ATOM 1090 CA GLY A 68 -12.126 -12.468 3.281 1.00 0.00 C ATOM 1091 C GLY A 68 -11.585 -13.190 2.041 1.00 0.00 C ATOM 1092 O GLY A 68 -12.078 -14.239 1.674 1.00 0.00 O ATOM 0 H GLY A 68 -13.043 -10.637 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.496 -12.684 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.126 -12.830 3.518 1.00 0.00 H new ATOM 1096 N GLU A 69 -10.581 -12.637 1.384 1.00 0.00 N ATOM 1097 CA GLU A 69 -10.035 -13.306 0.161 1.00 0.00 C ATOM 1098 C GLU A 69 -8.612 -12.822 -0.174 1.00 0.00 C ATOM 1099 O GLU A 69 -8.130 -11.815 0.325 1.00 0.00 O ATOM 1100 CB GLU A 69 -10.947 -12.995 -1.028 1.00 0.00 C ATOM 1101 CG GLU A 69 -12.134 -13.959 -1.034 1.00 0.00 C ATOM 1102 CD GLU A 69 -12.521 -14.289 -2.477 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -11.660 -14.746 -3.211 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -13.672 -14.079 -2.824 1.00 0.00 O ATOM 0 H GLU A 69 -10.125 -11.762 1.643 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.994 -14.377 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.302 -11.966 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.389 -13.085 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.876 -14.873 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.981 -13.512 -0.513 1.00 0.00 H new ATOM 1111 N GLU A 70 -7.952 -13.559 -1.035 1.00 0.00 N ATOM 1112 CA GLU A 70 -6.560 -13.211 -1.470 1.00 0.00 C ATOM 1113 C GLU A 70 -6.558 -12.740 -2.920 1.00 0.00 C ATOM 1114 O GLU A 70 -7.522 -12.906 -3.643 1.00 0.00 O ATOM 1115 CB GLU A 70 -5.655 -14.452 -1.417 1.00 0.00 C ATOM 1116 CG GLU A 70 -6.380 -15.668 -2.002 1.00 0.00 C ATOM 1117 CD GLU A 70 -7.008 -16.483 -0.869 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -6.261 -17.067 -0.102 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -8.225 -16.509 -0.789 1.00 0.00 O ATOM 0 H GLU A 70 -8.327 -14.405 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.199 -12.430 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.738 -14.265 -1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.365 -14.655 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.151 -15.343 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.680 -16.286 -2.564 1.00 0.00 H new ATOM 1126 N PHE A 71 -5.445 -12.210 -3.362 1.00 0.00 N ATOM 1127 CA PHE A 71 -5.317 -11.788 -4.783 1.00 0.00 C ATOM 1128 C PHE A 71 -4.129 -12.545 -5.354 1.00 0.00 C ATOM 1129 O PHE A 71 -3.522 -13.350 -4.678 1.00 0.00 O ATOM 1130 CB PHE A 71 -5.040 -10.275 -4.948 1.00 0.00 C ATOM 1131 CG PHE A 71 -5.639 -9.433 -3.840 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -6.886 -9.741 -3.287 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.934 -8.310 -3.384 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -7.418 -8.931 -2.276 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -5.473 -7.501 -2.382 1.00 0.00 C ATOM 1136 CZ PHE A 71 -6.708 -7.813 -1.829 1.00 0.00 C ATOM 0 H PHE A 71 -4.615 -12.052 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.258 -11.999 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.963 -10.111 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.440 -9.941 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.437 -10.601 -3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.971 -8.070 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.377 -9.170 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.930 -6.633 -2.037 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.122 -7.189 -1.050 1.00 0.00 H new ATOM 1146 N GLU A 72 -3.780 -12.276 -6.574 1.00 0.00 N ATOM 1147 CA GLU A 72 -2.604 -12.960 -7.178 1.00 0.00 C ATOM 1148 C GLU A 72 -1.738 -11.931 -7.879 1.00 0.00 C ATOM 1149 O GLU A 72 -2.203 -10.879 -8.278 1.00 0.00 O ATOM 1150 CB GLU A 72 -3.045 -14.007 -8.192 1.00 0.00 C ATOM 1151 CG GLU A 72 -4.084 -14.925 -7.559 1.00 0.00 C ATOM 1152 CD GLU A 72 -4.813 -15.708 -8.652 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -5.362 -15.075 -9.539 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -4.810 -16.926 -8.583 1.00 0.00 O ATOM 0 H GLU A 72 -4.257 -11.611 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.045 -13.455 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.463 -13.521 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.186 -14.589 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.601 -15.613 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.798 -14.338 -6.981 1.00 0.00 H new ATOM 1161 N GLU A 73 -0.484 -12.231 -8.031 1.00 0.00 N ATOM 1162 CA GLU A 73 0.432 -11.270 -8.714 1.00 0.00 C ATOM 1163 C GLU A 73 1.795 -11.914 -8.972 1.00 0.00 C ATOM 1164 O GLU A 73 2.012 -13.076 -8.696 1.00 0.00 O ATOM 1165 CB GLU A 73 0.607 -10.026 -7.829 1.00 0.00 C ATOM 1166 CG GLU A 73 0.435 -8.758 -8.672 1.00 0.00 C ATOM 1167 CD GLU A 73 0.604 -7.527 -7.780 1.00 0.00 C ATOM 1168 OE1 GLU A 73 1.530 -7.518 -6.986 1.00 0.00 O ATOM 1169 OE2 GLU A 73 -0.196 -6.615 -7.906 1.00 0.00 O ATOM 0 H GLU A 73 -0.049 -13.097 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.002 -10.987 -9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.124 -10.038 -7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.594 -10.034 -7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.170 -8.741 -9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.550 -8.750 -9.139 1.00 0.00 H new ATOM 1176 N GLN A 74 2.709 -11.149 -9.505 1.00 0.00 N ATOM 1177 CA GLN A 74 4.075 -11.677 -9.795 1.00 0.00 C ATOM 1178 C GLN A 74 5.119 -10.664 -9.322 1.00 0.00 C ATOM 1179 O GLN A 74 4.907 -9.467 -9.392 1.00 0.00 O ATOM 1180 CB GLN A 74 4.236 -11.893 -11.299 1.00 0.00 C ATOM 1181 CG GLN A 74 3.325 -13.035 -11.753 1.00 0.00 C ATOM 1182 CD GLN A 74 2.882 -12.792 -13.197 1.00 0.00 C ATOM 1183 OE1 GLN A 74 2.218 -11.816 -13.484 1.00 0.00 O ATOM 1184 NE2 GLN A 74 3.223 -13.645 -14.124 1.00 0.00 N ATOM 0 H GLN A 74 2.567 -10.170 -9.755 1.00 0.00 H new ATOM 0 HA GLN A 74 4.213 -12.624 -9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.986 -10.979 -11.837 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.274 -12.127 -11.534 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.852 -13.986 -11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.454 -13.101 -11.101 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.781 -14.464 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.932 -13.492 -15.090 1.00 0.00 H new ATOM 1193 N THR A 75 6.241 -11.134 -8.837 1.00 0.00 N ATOM 1194 CA THR A 75 7.299 -10.200 -8.353 1.00 0.00 C ATOM 1195 C THR A 75 7.822 -9.372 -9.525 1.00 0.00 C ATOM 1196 O THR A 75 7.226 -9.341 -10.586 1.00 0.00 O ATOM 1197 CB THR A 75 8.451 -10.996 -7.738 1.00 0.00 C ATOM 1198 OG1 THR A 75 9.035 -11.828 -8.730 1.00 0.00 O ATOM 1199 CG2 THR A 75 7.917 -11.852 -6.597 1.00 0.00 C ATOM 0 H THR A 75 6.469 -12.125 -8.756 1.00 0.00 H new ATOM 0 HA THR A 75 6.876 -9.538 -7.598 1.00 0.00 H new ATOM 0 HB THR A 75 9.207 -10.311 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.399 -12.529 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.735 -12.421 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.471 -11.209 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.162 -12.539 -6.980 1.00 0.00 H new ATOM 1207 N VAL A 76 8.930 -8.698 -9.340 1.00 0.00 N ATOM 1208 CA VAL A 76 9.492 -7.869 -10.438 1.00 0.00 C ATOM 1209 C VAL A 76 10.135 -8.776 -11.490 1.00 0.00 C ATOM 1210 O VAL A 76 9.887 -8.638 -12.673 1.00 0.00 O ATOM 1211 CB VAL A 76 10.542 -6.914 -9.876 1.00 0.00 C ATOM 1212 CG1 VAL A 76 10.994 -5.948 -10.973 1.00 0.00 C ATOM 1213 CG2 VAL A 76 9.943 -6.118 -8.713 1.00 0.00 C ATOM 0 H VAL A 76 9.467 -8.689 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 76 8.690 -7.292 -10.899 1.00 0.00 H new ATOM 0 HB VAL A 76 11.398 -7.488 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.744 -5.266 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.423 -6.513 -11.801 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.137 -5.376 -11.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.694 -5.437 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.086 -5.545 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.622 -6.804 -7.929 1.00 0.00 H new ATOM 1223 N ASP A 77 10.958 -9.701 -11.065 1.00 0.00 N ATOM 1224 CA ASP A 77 11.622 -10.622 -12.034 1.00 0.00 C ATOM 1225 C ASP A 77 12.272 -11.782 -11.270 1.00 0.00 C ATOM 1226 O ASP A 77 13.441 -12.078 -11.441 1.00 0.00 O ATOM 1227 CB ASP A 77 12.690 -9.853 -12.817 1.00 0.00 C ATOM 1228 CG ASP A 77 13.656 -9.182 -11.839 1.00 0.00 C ATOM 1229 OD1 ASP A 77 13.241 -8.245 -11.176 1.00 0.00 O ATOM 1230 OD2 ASP A 77 14.794 -9.615 -11.770 1.00 0.00 O ATOM 0 H ASP A 77 11.199 -9.858 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 77 10.882 -11.019 -12.729 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.234 -10.532 -13.474 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.220 -9.103 -13.453 1.00 0.00 H new ATOM 1235 N GLY A 78 11.517 -12.440 -10.428 1.00 0.00 N ATOM 1236 CA GLY A 78 12.074 -13.584 -9.646 1.00 0.00 C ATOM 1237 C GLY A 78 11.023 -14.691 -9.543 1.00 0.00 C ATOM 1238 O GLY A 78 10.846 -15.476 -10.456 1.00 0.00 O ATOM 0 H GLY A 78 10.535 -12.233 -10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.973 -13.965 -10.130 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.365 -13.250 -8.650 1.00 0.00 H new ATOM 1242 N ARG A 79 10.325 -14.759 -8.437 1.00 0.00 N ATOM 1243 CA ARG A 79 9.282 -15.812 -8.265 1.00 0.00 C ATOM 1244 C ARG A 79 7.892 -15.151 -8.302 1.00 0.00 C ATOM 1245 O ARG A 79 7.802 -13.943 -8.367 1.00 0.00 O ATOM 1246 CB ARG A 79 9.496 -16.509 -6.913 1.00 0.00 C ATOM 1247 CG ARG A 79 9.878 -17.975 -7.137 1.00 0.00 C ATOM 1248 CD ARG A 79 11.258 -18.047 -7.792 1.00 0.00 C ATOM 1249 NE ARG A 79 12.311 -17.930 -6.745 1.00 0.00 N ATOM 1250 CZ ARG A 79 13.171 -18.897 -6.574 1.00 0.00 C ATOM 1251 NH1 ARG A 79 12.778 -20.042 -6.087 1.00 0.00 N ATOM 1252 NH2 ARG A 79 14.424 -18.718 -6.891 1.00 0.00 N ATOM 0 H ARG A 79 10.434 -14.127 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 79 9.352 -16.548 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.281 -16.001 -6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.587 -16.448 -6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.886 -18.509 -6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.137 -18.462 -7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.368 -18.988 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.367 -17.247 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 79 12.360 -17.095 -6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.798 -20.182 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.450 -20.797 -5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.731 -17.823 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.097 -19.473 -6.758 1.00 0.00 H new ATOM 1266 N PRO A 80 6.838 -15.946 -8.250 1.00 0.00 N ATOM 1267 CA PRO A 80 5.468 -15.408 -8.269 1.00 0.00 C ATOM 1268 C PRO A 80 5.125 -14.831 -6.896 1.00 0.00 C ATOM 1269 O PRO A 80 5.959 -14.797 -6.010 1.00 0.00 O ATOM 1270 CB PRO A 80 4.600 -16.624 -8.596 1.00 0.00 C ATOM 1271 CG PRO A 80 5.423 -17.869 -8.197 1.00 0.00 C ATOM 1272 CD PRO A 80 6.898 -17.428 -8.166 1.00 0.00 C ATOM 0 HA PRO A 80 5.325 -14.601 -8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.659 -16.588 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.349 -16.648 -9.656 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.110 -18.245 -7.223 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.275 -18.677 -8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.392 -17.755 -7.251 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.458 -17.852 -9.000 1.00 0.00 H new ATOM 1280 N CYS A 81 3.912 -14.375 -6.708 1.00 0.00 N ATOM 1281 CA CYS A 81 3.532 -13.801 -5.384 1.00 0.00 C ATOM 1282 C CYS A 81 2.056 -13.422 -5.364 1.00 0.00 C ATOM 1283 O CYS A 81 1.539 -12.814 -6.279 1.00 0.00 O ATOM 1284 CB CYS A 81 4.383 -12.553 -5.096 1.00 0.00 C ATOM 1285 SG CYS A 81 4.136 -11.312 -6.393 1.00 0.00 S ATOM 0 H CYS A 81 3.173 -14.376 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 81 3.711 -14.555 -4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.112 -12.135 -4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.437 -12.827 -5.041 1.00 0.00 H new ATOM 0 HG CYS A 81 4.860 -10.264 -6.134 1.00 0.00 H new ATOM 1291 N LYS A 82 1.395 -13.764 -4.302 1.00 0.00 N ATOM 1292 CA LYS A 82 -0.042 -13.431 -4.152 1.00 0.00 C ATOM 1293 C LYS A 82 -0.196 -12.541 -2.928 1.00 0.00 C ATOM 1294 O LYS A 82 0.777 -12.101 -2.345 1.00 0.00 O ATOM 1295 CB LYS A 82 -0.841 -14.713 -3.956 1.00 0.00 C ATOM 1296 CG LYS A 82 -0.274 -15.515 -2.771 1.00 0.00 C ATOM 1297 CD LYS A 82 -1.011 -16.860 -2.625 1.00 0.00 C ATOM 1298 CE LYS A 82 -2.527 -16.666 -2.765 1.00 0.00 C ATOM 1299 NZ LYS A 82 -3.242 -17.659 -1.915 1.00 0.00 N ATOM 0 H LYS A 82 1.798 -14.271 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.409 -12.917 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.889 -14.473 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.804 -15.316 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.791 -15.692 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.375 -14.937 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.657 -17.558 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.784 -17.301 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.803 -15.654 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.824 -16.785 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.187 -17.839 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.702 -18.548 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.337 -17.285 -0.949 1.00 0.00 H new ATOM 1313 N SER A 83 -1.404 -12.271 -2.544 1.00 0.00 N ATOM 1314 CA SER A 83 -1.630 -11.401 -1.357 1.00 0.00 C ATOM 1315 C SER A 83 -2.865 -11.845 -0.592 1.00 0.00 C ATOM 1316 O SER A 83 -3.540 -12.777 -0.970 1.00 0.00 O ATOM 1317 CB SER A 83 -1.836 -9.967 -1.829 1.00 0.00 C ATOM 1318 OG SER A 83 -2.851 -9.954 -2.826 1.00 0.00 O ATOM 0 H SER A 83 -2.250 -12.614 -2.999 1.00 0.00 H new ATOM 0 HA SER A 83 -0.763 -11.471 -0.700 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.122 -9.331 -0.991 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.906 -9.565 -2.232 1.00 0.00 H new ATOM 0 HG SER A 83 -3.625 -9.451 -2.498 1.00 0.00 H new ATOM 1324 N LEU A 84 -3.167 -11.163 0.479 1.00 0.00 N ATOM 1325 CA LEU A 84 -4.383 -11.523 1.270 1.00 0.00 C ATOM 1326 C LEU A 84 -4.674 -10.441 2.297 1.00 0.00 C ATOM 1327 O LEU A 84 -3.861 -10.153 3.150 1.00 0.00 O ATOM 1328 CB LEU A 84 -4.183 -12.863 1.971 1.00 0.00 C ATOM 1329 CG LEU A 84 -5.481 -13.665 1.883 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -5.165 -15.153 1.973 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -6.414 -13.266 3.023 1.00 0.00 C ATOM 0 H LEU A 84 -2.629 -10.376 0.841 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.230 -11.607 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.367 -13.414 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.907 -12.706 3.014 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.971 -13.456 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.090 -15.726 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.507 -15.436 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.672 -15.363 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.338 -13.841 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.929 -13.469 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.642 -12.203 2.951 1.00 0.00 H new ATOM 1343 N VAL A 85 -5.832 -9.839 2.208 1.00 0.00 N ATOM 1344 CA VAL A 85 -6.190 -8.751 3.162 1.00 0.00 C ATOM 1345 C VAL A 85 -6.947 -9.319 4.373 1.00 0.00 C ATOM 1346 O VAL A 85 -7.731 -10.239 4.261 1.00 0.00 O ATOM 1347 CB VAL A 85 -7.050 -7.711 2.420 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -7.662 -6.698 3.403 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -6.175 -6.963 1.415 1.00 0.00 C ATOM 0 H VAL A 85 -6.546 -10.056 1.513 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.283 -8.276 3.536 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.859 -8.233 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.264 -5.975 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.292 -7.223 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.864 -6.177 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.778 -6.225 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.365 -6.459 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.757 -7.671 0.699 1.00 0.00 H new ATOM 1359 N LYS A 86 -6.714 -8.741 5.524 1.00 0.00 N ATOM 1360 CA LYS A 86 -7.402 -9.182 6.764 1.00 0.00 C ATOM 1361 C LYS A 86 -7.579 -7.970 7.685 1.00 0.00 C ATOM 1362 O LYS A 86 -7.522 -6.838 7.248 1.00 0.00 O ATOM 1363 CB LYS A 86 -6.561 -10.254 7.460 1.00 0.00 C ATOM 1364 CG LYS A 86 -7.467 -11.374 7.984 1.00 0.00 C ATOM 1365 CD LYS A 86 -8.191 -12.059 6.816 1.00 0.00 C ATOM 1366 CE LYS A 86 -9.674 -11.663 6.808 1.00 0.00 C ATOM 1367 NZ LYS A 86 -10.508 -12.868 6.537 1.00 0.00 N ATOM 0 H LYS A 86 -6.062 -7.967 5.654 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.378 -9.603 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.829 -10.663 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.003 -9.811 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.874 -12.105 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.196 -10.965 8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.726 -11.774 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.096 -13.141 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.950 -11.225 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.855 -10.904 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.491 -12.578 6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.140 -13.364 5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.475 -13.505 7.358 1.00 0.00 H new ATOM 1381 N TRP A 87 -7.817 -8.205 8.944 1.00 0.00 N ATOM 1382 CA TRP A 87 -8.026 -7.081 9.906 1.00 0.00 C ATOM 1383 C TRP A 87 -7.067 -7.173 11.086 1.00 0.00 C ATOM 1384 O TRP A 87 -6.265 -8.078 11.204 1.00 0.00 O ATOM 1385 CB TRP A 87 -9.435 -7.167 10.453 1.00 0.00 C ATOM 1386 CG TRP A 87 -10.375 -6.989 9.340 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.994 -7.988 8.696 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.793 -5.756 8.707 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -11.806 -7.447 7.731 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -11.709 -6.073 7.690 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.474 -4.405 8.923 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -12.295 -5.090 6.908 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -11.060 -3.406 8.132 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.971 -3.749 7.126 1.00 0.00 C ATOM 0 H TRP A 87 -7.877 -9.137 9.355 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.852 -6.145 9.376 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.596 -8.131 10.935 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.595 -6.400 11.211 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -10.874 -9.041 8.902 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.409 -7.996 7.118 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.775 -4.135 9.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.998 -5.360 6.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.808 -2.369 8.299 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.423 -2.978 6.519 1.00 0.00 H new ATOM 1405 N GLU A 88 -7.188 -6.230 11.973 1.00 0.00 N ATOM 1406 CA GLU A 88 -6.349 -6.197 13.196 1.00 0.00 C ATOM 1407 C GLU A 88 -7.295 -5.954 14.378 1.00 0.00 C ATOM 1408 O GLU A 88 -7.350 -6.716 15.324 1.00 0.00 O ATOM 1409 CB GLU A 88 -5.313 -5.056 13.042 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.966 -4.392 14.389 1.00 0.00 C ATOM 1411 CD GLU A 88 -4.400 -5.442 15.348 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -3.425 -6.080 14.987 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -4.951 -5.588 16.426 1.00 0.00 O ATOM 0 H GLU A 88 -7.853 -5.460 11.898 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.802 -7.126 13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.404 -5.453 12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.705 -4.303 12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.239 -3.595 14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.856 -3.933 14.820 1.00 0.00 H new ATOM 1420 N SER A 89 -8.029 -4.882 14.308 1.00 0.00 N ATOM 1421 CA SER A 89 -8.982 -4.533 15.394 1.00 0.00 C ATOM 1422 C SER A 89 -10.399 -4.458 14.824 1.00 0.00 C ATOM 1423 O SER A 89 -11.321 -5.073 15.321 1.00 0.00 O ATOM 1424 CB SER A 89 -8.601 -3.165 15.957 1.00 0.00 C ATOM 1425 OG SER A 89 -8.406 -2.255 14.875 1.00 0.00 O ATOM 0 H SER A 89 -8.008 -4.222 13.531 1.00 0.00 H new ATOM 0 HA SER A 89 -8.944 -5.290 16.178 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.385 -2.799 16.620 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.691 -3.243 16.552 1.00 0.00 H new ATOM 0 HG SER A 89 -8.163 -1.374 15.228 1.00 0.00 H new ATOM 1431 N GLU A 90 -10.558 -3.692 13.782 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.888 -3.506 13.117 1.00 0.00 C ATOM 1433 C GLU A 90 -11.752 -2.334 12.145 1.00 0.00 C ATOM 1434 O GLU A 90 -12.304 -2.335 11.062 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.986 -3.186 14.145 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.535 -2.037 15.053 1.00 0.00 C ATOM 1437 CD GLU A 90 -12.989 -2.307 16.490 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -14.183 -2.446 16.697 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -12.134 -2.371 17.358 1.00 0.00 O ATOM 0 H GLU A 90 -9.799 -3.168 13.346 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.171 -4.424 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.908 -2.914 13.632 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.203 -4.070 14.744 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.450 -1.936 15.017 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.955 -1.095 14.700 1.00 0.00 H new ATOM 1446 N ASN A 91 -10.970 -1.357 12.522 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.715 -0.187 11.636 1.00 0.00 C ATOM 1448 C ASN A 91 -9.269 -0.257 11.138 1.00 0.00 C ATOM 1449 O ASN A 91 -8.822 0.607 10.410 1.00 0.00 O ATOM 1450 CB ASN A 91 -10.914 1.111 12.404 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.358 1.223 12.891 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -13.075 0.245 12.952 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -12.820 2.395 13.235 1.00 0.00 N ATOM 0 H ASN A 91 -10.490 -1.322 13.421 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.411 -0.211 10.797 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.233 1.147 13.254 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.672 1.960 11.765 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.784 2.489 13.555 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.217 3.216 13.183 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.537 -1.287 11.512 1.00 0.00 N ATOM 1461 CA LYS A 92 -7.153 -1.438 11.032 1.00 0.00 C ATOM 1462 C LYS A 92 -7.128 -2.748 10.253 1.00 0.00 C ATOM 1463 O LYS A 92 -7.793 -3.694 10.624 1.00 0.00 O ATOM 1464 CB LYS A 92 -6.196 -1.505 12.221 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.768 -1.276 11.732 1.00 0.00 C ATOM 1466 CD LYS A 92 -4.095 -2.619 11.442 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.792 -2.382 10.678 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.732 -1.939 11.627 1.00 0.00 N ATOM 0 H LYS A 92 -8.858 -2.027 12.136 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.842 -0.599 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.464 -0.752 12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.274 -2.476 12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.777 -0.662 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.200 -0.730 12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.892 -3.145 12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.762 -3.253 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.483 -3.297 10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.943 -1.627 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.846 -1.778 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.027 -1.056 12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.582 -2.674 12.347 1.00 0.00 H new ATOM 1482 N MET A 93 -6.395 -2.817 9.182 1.00 0.00 N ATOM 1483 CA MET A 93 -6.364 -4.077 8.388 1.00 0.00 C ATOM 1484 C MET A 93 -4.999 -4.259 7.753 1.00 0.00 C ATOM 1485 O MET A 93 -4.200 -3.345 7.677 1.00 0.00 O ATOM 1486 CB MET A 93 -7.444 -4.106 7.283 1.00 0.00 C ATOM 1487 CG MET A 93 -7.900 -2.696 6.882 1.00 0.00 C ATOM 1488 SD MET A 93 -8.232 -2.633 5.100 1.00 0.00 S ATOM 1489 CE MET A 93 -9.346 -4.057 5.022 1.00 0.00 C ATOM 0 H MET A 93 -5.816 -2.059 8.820 1.00 0.00 H new ATOM 0 HA MET A 93 -6.572 -4.892 9.081 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.051 -4.622 6.407 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.303 -4.679 7.632 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.798 -2.424 7.437 1.00 0.00 H new ATOM 0 HG3 MET A 93 -7.131 -1.969 7.143 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.921 -4.816 4.366 1.00 0.00 H new ATOM 0 HE2 MET A 93 -9.476 -4.472 6.021 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.314 -3.741 4.632 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.734 -5.451 7.315 1.00 0.00 N ATOM 1500 CA VAL A 94 -3.420 -5.756 6.693 1.00 0.00 C ATOM 1501 C VAL A 94 -3.616 -6.345 5.304 1.00 0.00 C ATOM 1502 O VAL A 94 -4.715 -6.470 4.804 1.00 0.00 O ATOM 1503 CB VAL A 94 -2.684 -6.788 7.551 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -2.155 -6.123 8.814 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -3.652 -7.909 7.930 1.00 0.00 C ATOM 0 H VAL A 94 -5.380 -6.239 7.361 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.845 -4.832 6.621 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.848 -7.200 6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.632 -6.861 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.467 -5.323 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.987 -5.709 9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.133 -8.647 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.487 -7.493 8.494 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.027 -8.387 7.025 1.00 0.00 H new ATOM 1515 N CYS A 95 -2.534 -6.724 4.700 1.00 0.00 N ATOM 1516 CA CYS A 95 -2.577 -7.344 3.355 1.00 0.00 C ATOM 1517 C CYS A 95 -1.231 -8.007 3.136 1.00 0.00 C ATOM 1518 O CYS A 95 -0.380 -7.488 2.445 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.819 -6.286 2.289 1.00 0.00 C ATOM 1520 SG CYS A 95 -3.057 -7.092 0.686 1.00 0.00 S ATOM 0 H CYS A 95 -1.597 -6.628 5.092 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.388 -8.069 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.696 -5.692 2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.973 -5.601 2.242 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.027 -6.198 -0.258 1.00 0.00 H new ATOM 1526 N GLU A 96 -1.016 -9.130 3.766 1.00 0.00 N ATOM 1527 CA GLU A 96 0.304 -9.803 3.644 1.00 0.00 C ATOM 1528 C GLU A 96 0.514 -10.350 2.237 1.00 0.00 C ATOM 1529 O GLU A 96 -0.126 -11.298 1.822 1.00 0.00 O ATOM 1530 CB GLU A 96 0.412 -10.945 4.649 1.00 0.00 C ATOM 1531 CG GLU A 96 1.862 -11.430 4.683 1.00 0.00 C ATOM 1532 CD GLU A 96 1.954 -12.717 5.505 1.00 0.00 C ATOM 1533 OE1 GLU A 96 1.031 -13.511 5.431 1.00 0.00 O ATOM 1534 OE2 GLU A 96 2.947 -12.886 6.194 1.00 0.00 O ATOM 0 H GLU A 96 -1.696 -9.607 4.357 1.00 0.00 H new ATOM 0 HA GLU A 96 1.074 -9.060 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.102 -10.609 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.253 -11.761 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.220 -11.608 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.503 -10.663 5.117 1.00 0.00 H new ATOM 1541 N GLN A 97 1.429 -9.765 1.516 1.00 0.00 N ATOM 1542 CA GLN A 97 1.730 -10.235 0.147 1.00 0.00 C ATOM 1543 C GLN A 97 3.002 -11.088 0.196 1.00 0.00 C ATOM 1544 O GLN A 97 4.029 -10.642 0.674 1.00 0.00 O ATOM 1545 CB GLN A 97 1.965 -9.020 -0.748 1.00 0.00 C ATOM 1546 CG GLN A 97 0.718 -8.133 -0.754 1.00 0.00 C ATOM 1547 CD GLN A 97 0.505 -7.531 -2.149 1.00 0.00 C ATOM 1548 OE1 GLN A 97 1.210 -7.854 -3.086 1.00 0.00 O ATOM 1549 NE2 GLN A 97 -0.449 -6.659 -2.326 1.00 0.00 N ATOM 0 H GLN A 97 1.986 -8.969 1.827 1.00 0.00 H new ATOM 0 HA GLN A 97 0.903 -10.825 -0.247 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.824 -8.453 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.198 -9.343 -1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.155 -8.718 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.826 -7.336 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.042 -6.386 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.602 -6.250 -3.248 1.00 0.00 H new ATOM 1558 N LYS A 98 2.948 -12.312 -0.273 1.00 0.00 N ATOM 1559 CA LYS A 98 4.173 -13.178 -0.225 1.00 0.00 C ATOM 1560 C LYS A 98 4.517 -13.699 -1.625 1.00 0.00 C ATOM 1561 O LYS A 98 3.713 -13.634 -2.533 1.00 0.00 O ATOM 1562 CB LYS A 98 3.921 -14.363 0.709 1.00 0.00 C ATOM 1563 CG LYS A 98 2.639 -15.085 0.288 1.00 0.00 C ATOM 1564 CD LYS A 98 2.414 -16.297 1.194 1.00 0.00 C ATOM 1565 CE LYS A 98 1.088 -16.970 0.833 1.00 0.00 C ATOM 1566 NZ LYS A 98 0.019 -16.485 1.751 1.00 0.00 N ATOM 0 H LYS A 98 2.121 -12.746 -0.682 1.00 0.00 H new ATOM 0 HA LYS A 98 5.009 -12.584 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.766 -15.051 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.833 -14.015 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.789 -14.406 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.713 -15.404 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.235 -17.005 1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.403 -15.986 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.824 -16.746 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.185 -18.053 0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.883 -16.942 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.271 -16.720 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.079 -15.454 1.656 1.00 0.00 H new ATOM 1580 N LEU A 99 5.706 -14.231 -1.797 1.00 0.00 N ATOM 1581 CA LEU A 99 6.101 -14.779 -3.141 1.00 0.00 C ATOM 1582 C LEU A 99 5.983 -16.305 -3.135 1.00 0.00 C ATOM 1583 O LEU A 99 6.635 -16.987 -3.900 1.00 0.00 O ATOM 1584 CB LEU A 99 7.535 -14.371 -3.554 1.00 0.00 C ATOM 1585 CG LEU A 99 8.422 -14.114 -2.337 1.00 0.00 C ATOM 1586 CD1 LEU A 99 9.883 -14.405 -2.693 1.00 0.00 C ATOM 1587 CD2 LEU A 99 8.288 -12.650 -1.921 1.00 0.00 C ATOM 0 H LEU A 99 6.418 -14.310 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 99 5.418 -14.350 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.975 -15.158 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.495 -13.473 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 99 8.113 -14.763 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.513 -14.221 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.982 -15.446 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.195 -13.755 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.919 -12.459 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.600 -12.008 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.249 -12.437 -1.669 1.00 0.00 H new ATOM 1599 N LEU A 100 5.145 -16.842 -2.278 1.00 0.00 N ATOM 1600 CA LEU A 100 4.947 -18.327 -2.203 1.00 0.00 C ATOM 1601 C LEU A 100 6.219 -19.054 -1.725 1.00 0.00 C ATOM 1602 O LEU A 100 6.248 -20.269 -1.665 1.00 0.00 O ATOM 1603 CB LEU A 100 4.543 -18.868 -3.579 1.00 0.00 C ATOM 1604 CG LEU A 100 3.322 -18.099 -4.092 1.00 0.00 C ATOM 1605 CD1 LEU A 100 3.196 -18.285 -5.605 1.00 0.00 C ATOM 1606 CD2 LEU A 100 2.063 -18.632 -3.405 1.00 0.00 C ATOM 0 H LEU A 100 4.582 -16.306 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 100 4.156 -18.515 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.372 -18.765 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.314 -19.931 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 100 3.440 -17.039 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.326 -17.737 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.094 -17.906 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.078 -19.344 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.192 -18.087 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.947 -19.692 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.152 -18.497 -2.327 1.00 0.00 H new ATOM 1618 N LYS A 101 7.264 -18.338 -1.381 1.00 0.00 N ATOM 1619 CA LYS A 101 8.520 -18.992 -0.908 1.00 0.00 C ATOM 1620 C LYS A 101 9.284 -18.000 -0.035 1.00 0.00 C ATOM 1621 O LYS A 101 9.734 -18.319 1.048 1.00 0.00 O ATOM 1622 CB LYS A 101 9.400 -19.375 -2.103 1.00 0.00 C ATOM 1623 CG LYS A 101 8.591 -20.175 -3.125 1.00 0.00 C ATOM 1624 CD LYS A 101 9.515 -20.637 -4.248 1.00 0.00 C ATOM 1625 CE LYS A 101 10.215 -21.933 -3.835 1.00 0.00 C ATOM 1626 NZ LYS A 101 10.842 -22.563 -5.031 1.00 0.00 N ATOM 0 H LYS A 101 7.297 -17.319 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 101 8.270 -19.891 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.801 -18.476 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.251 -19.964 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.125 -21.035 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.786 -19.561 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.942 -20.796 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.254 -19.866 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.974 -21.724 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.497 -22.618 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.876 -23.594 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.280 -22.338 -5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.808 -22.197 -5.150 1.00 0.00 H new ATOM 1640 N GLY A 102 9.427 -16.794 -0.514 1.00 0.00 N ATOM 1641 CA GLY A 102 10.155 -15.747 0.256 1.00 0.00 C ATOM 1642 C GLY A 102 11.642 -16.090 0.316 1.00 0.00 C ATOM 1643 O GLY A 102 12.023 -17.223 0.539 1.00 0.00 O ATOM 0 H GLY A 102 9.066 -16.487 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.016 -14.774 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.748 -15.675 1.265 1.00 0.00 H new ATOM 1647 N GLU A 103 12.479 -15.106 0.130 1.00 0.00 N ATOM 1648 CA GLU A 103 13.949 -15.339 0.185 1.00 0.00 C ATOM 1649 C GLU A 103 14.535 -14.493 1.314 1.00 0.00 C ATOM 1650 O GLU A 103 15.369 -14.945 2.075 1.00 0.00 O ATOM 1651 CB GLU A 103 14.594 -14.951 -1.152 1.00 0.00 C ATOM 1652 CG GLU A 103 14.190 -13.526 -1.536 1.00 0.00 C ATOM 1653 CD GLU A 103 14.771 -13.184 -2.909 1.00 0.00 C ATOM 1654 OE1 GLU A 103 14.684 -14.021 -3.793 1.00 0.00 O ATOM 1655 OE2 GLU A 103 15.295 -12.092 -3.054 1.00 0.00 O ATOM 0 H GLU A 103 12.204 -14.142 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 103 14.150 -16.394 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.679 -15.022 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.283 -15.648 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.104 -13.438 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.553 -12.820 -0.789 1.00 0.00 H new ATOM 1662 N GLY A 104 14.085 -13.272 1.432 1.00 0.00 N ATOM 1663 CA GLY A 104 14.580 -12.381 2.513 1.00 0.00 C ATOM 1664 C GLY A 104 13.398 -11.549 3.039 1.00 0.00 C ATOM 1665 O GLY A 104 12.716 -11.980 3.948 1.00 0.00 O ATOM 0 H GLY A 104 13.388 -12.853 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.017 -12.970 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 104 15.365 -11.727 2.135 1.00 0.00 H new ATOM 1669 N PRO A 105 13.166 -10.385 2.455 1.00 0.00 N ATOM 1670 CA PRO A 105 12.052 -9.519 2.871 1.00 0.00 C ATOM 1671 C PRO A 105 10.749 -9.970 2.196 1.00 0.00 C ATOM 1672 O PRO A 105 10.639 -11.092 1.738 1.00 0.00 O ATOM 1673 CB PRO A 105 12.475 -8.134 2.386 1.00 0.00 C ATOM 1674 CG PRO A 105 13.497 -8.351 1.245 1.00 0.00 C ATOM 1675 CD PRO A 105 13.978 -9.813 1.351 1.00 0.00 C ATOM 0 HA PRO A 105 11.861 -9.544 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.613 -7.569 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.919 -7.559 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.038 -8.164 0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.335 -7.660 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.818 -10.353 0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.044 -9.866 1.572 1.00 0.00 H new ATOM 1683 N LYS A 106 9.757 -9.110 2.141 1.00 0.00 N ATOM 1684 CA LYS A 106 8.462 -9.495 1.511 1.00 0.00 C ATOM 1685 C LYS A 106 7.592 -8.253 1.300 1.00 0.00 C ATOM 1686 O LYS A 106 7.918 -7.171 1.750 1.00 0.00 O ATOM 1687 CB LYS A 106 7.745 -10.463 2.444 1.00 0.00 C ATOM 1688 CG LYS A 106 7.189 -11.647 1.647 1.00 0.00 C ATOM 1689 CD LYS A 106 7.323 -12.929 2.471 1.00 0.00 C ATOM 1690 CE LYS A 106 6.279 -12.929 3.589 1.00 0.00 C ATOM 1691 NZ LYS A 106 6.149 -14.305 4.146 1.00 0.00 N ATOM 0 H LYS A 106 9.793 -8.159 2.507 1.00 0.00 H new ATOM 0 HA LYS A 106 8.645 -9.963 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.434 -10.821 3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.934 -9.949 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.143 -11.471 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.728 -11.750 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.186 -13.801 1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.325 -12.998 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.572 -12.233 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.318 -12.589 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.439 -14.306 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.851 -14.958 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.066 -14.613 4.528 1.00 0.00 H new ATOM 1705 N THR A 107 6.482 -8.411 0.625 1.00 0.00 N ATOM 1706 CA THR A 107 5.576 -7.258 0.377 1.00 0.00 C ATOM 1707 C THR A 107 4.343 -7.381 1.273 1.00 0.00 C ATOM 1708 O THR A 107 4.065 -8.430 1.818 1.00 0.00 O ATOM 1709 CB THR A 107 5.145 -7.277 -1.095 1.00 0.00 C ATOM 1710 OG1 THR A 107 4.995 -8.621 -1.536 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.201 -6.592 -1.955 1.00 0.00 C ATOM 0 H THR A 107 6.165 -9.298 0.233 1.00 0.00 H new ATOM 0 HA THR A 107 6.091 -6.323 0.600 1.00 0.00 H new ATOM 0 HB THR A 107 4.196 -6.749 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 107 4.718 -8.628 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.888 -6.610 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.321 -5.559 -1.630 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.151 -7.117 -1.852 1.00 0.00 H new ATOM 1719 N SER A 108 3.606 -6.308 1.435 1.00 0.00 N ATOM 1720 CA SER A 108 2.382 -6.335 2.300 1.00 0.00 C ATOM 1721 C SER A 108 1.859 -4.905 2.462 1.00 0.00 C ATOM 1722 O SER A 108 2.521 -3.957 2.086 1.00 0.00 O ATOM 1723 CB SER A 108 2.733 -6.887 3.686 1.00 0.00 C ATOM 1724 OG SER A 108 4.030 -6.437 4.055 1.00 0.00 O ATOM 0 H SER A 108 3.802 -5.406 1.001 1.00 0.00 H new ATOM 0 HA SER A 108 1.627 -6.970 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.998 -6.555 4.419 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.703 -7.977 3.675 1.00 0.00 H new ATOM 0 HG SER A 108 4.258 -6.787 4.942 1.00 0.00 H new ATOM 1730 N TRP A 109 0.703 -4.734 3.061 1.00 0.00 N ATOM 1731 CA TRP A 109 0.185 -3.350 3.294 1.00 0.00 C ATOM 1732 C TRP A 109 -0.894 -3.369 4.348 1.00 0.00 C ATOM 1733 O TRP A 109 -1.689 -4.287 4.428 1.00 0.00 O ATOM 1734 CB TRP A 109 -0.325 -2.662 2.008 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.572 -3.246 1.411 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.614 -3.806 0.184 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.954 -3.263 1.917 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.914 -4.178 -0.103 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.777 -3.872 0.929 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.578 -2.833 3.116 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -5.152 -4.040 1.120 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.956 -3.010 3.301 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.736 -3.609 2.307 1.00 0.00 C ATOM 0 H TRP A 109 0.102 -5.487 3.395 1.00 0.00 H new ATOM 0 HA TRP A 109 1.029 -2.755 3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.507 -1.610 2.228 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.466 -2.699 1.259 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.766 -3.942 -0.471 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -3.201 -4.625 -0.974 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.988 -2.366 3.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.756 -4.501 0.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.419 -2.681 4.219 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.797 -3.738 2.461 1.00 0.00 H new ATOM 1754 N THR A 110 -0.918 -2.353 5.172 1.00 0.00 N ATOM 1755 CA THR A 110 -1.947 -2.295 6.245 1.00 0.00 C ATOM 1756 C THR A 110 -2.631 -0.932 6.252 1.00 0.00 C ATOM 1757 O THR A 110 -2.037 0.078 6.563 1.00 0.00 O ATOM 1758 CB THR A 110 -1.303 -2.548 7.604 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.546 -1.409 7.991 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.390 -3.772 7.530 1.00 0.00 C ATOM 0 H THR A 110 -0.271 -1.565 5.146 1.00 0.00 H new ATOM 0 HA THR A 110 -2.692 -3.066 6.050 1.00 0.00 H new ATOM 0 HB THR A 110 -2.085 -2.732 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.663 -0.697 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.066 -3.945 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.975 -4.646 7.242 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.391 -3.599 6.790 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.889 -0.919 5.930 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.668 0.359 5.919 1.00 0.00 C ATOM 1770 C ARG A 111 -5.275 0.564 7.302 1.00 0.00 C ATOM 1771 O ARG A 111 -5.913 -0.316 7.819 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.784 0.255 4.872 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.206 0.476 3.474 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.332 0.411 2.440 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.747 0.353 1.071 1.00 0.00 N ATOM 1776 CZ ARG A 111 -5.241 1.429 0.532 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -5.904 2.552 0.571 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -4.073 1.380 -0.046 1.00 0.00 N ATOM 0 H ARG A 111 -4.424 -1.747 5.669 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.021 1.200 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.258 -0.725 4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.557 0.995 5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.707 1.444 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.454 -0.282 3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.954 -0.466 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.978 1.284 2.534 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.742 -0.527 0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.818 2.589 1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.509 3.393 0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.556 0.501 -0.077 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.677 2.220 -0.467 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.086 1.706 7.916 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.668 1.903 9.278 1.00 0.00 C ATOM 1794 C GLU A 112 -6.402 3.235 9.358 1.00 0.00 C ATOM 1795 O GLU A 112 -6.071 4.182 8.682 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.554 1.865 10.327 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.173 1.848 11.726 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.063 1.785 12.778 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -3.047 1.167 12.504 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.248 2.356 13.840 1.00 0.00 O ATOM 0 H GLU A 112 -4.563 2.497 7.541 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.379 1.100 9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.933 0.981 10.182 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.905 2.733 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.780 2.740 11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.836 0.989 11.831 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.405 3.296 10.187 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.197 4.545 10.347 1.00 0.00 C ATOM 1809 C LEU A 113 -7.852 5.170 11.702 1.00 0.00 C ATOM 1810 O LEU A 113 -7.232 4.538 12.537 1.00 0.00 O ATOM 1811 CB LEU A 113 -9.686 4.171 10.308 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.209 4.016 8.866 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -10.493 5.385 8.266 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.205 3.267 7.986 1.00 0.00 C ATOM 0 H LEU A 113 -7.714 2.519 10.771 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.973 5.258 9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -9.839 3.238 10.851 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.265 4.938 10.823 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.130 3.434 8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.862 5.266 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.245 5.897 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.576 5.974 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.604 3.175 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.265 3.819 7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.029 2.274 8.399 1.00 0.00 H new ATOM 1826 N THR A 114 -8.243 6.399 11.932 1.00 0.00 N ATOM 1827 CA THR A 114 -7.928 7.050 13.241 1.00 0.00 C ATOM 1828 C THR A 114 -9.227 7.473 13.931 1.00 0.00 C ATOM 1829 O THR A 114 -9.621 6.903 14.931 1.00 0.00 O ATOM 1830 CB THR A 114 -7.043 8.277 13.005 1.00 0.00 C ATOM 1831 OG1 THR A 114 -5.899 7.895 12.254 1.00 0.00 O ATOM 1832 CG2 THR A 114 -6.601 8.857 14.350 1.00 0.00 C ATOM 0 H THR A 114 -8.764 6.977 11.273 1.00 0.00 H new ATOM 0 HA THR A 114 -7.398 6.342 13.878 1.00 0.00 H new ATOM 0 HB THR A 114 -7.606 9.031 12.455 1.00 0.00 H new ATOM 0 HG1 THR A 114 -6.181 7.551 11.381 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.971 9.730 14.180 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.479 9.149 14.926 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.038 8.105 14.903 1.00 0.00 H new ATOM 1840 N ASN A 115 -9.896 8.463 13.399 1.00 0.00 N ATOM 1841 CA ASN A 115 -11.175 8.926 14.011 1.00 0.00 C ATOM 1842 C ASN A 115 -12.265 8.906 12.945 1.00 0.00 C ATOM 1843 O ASN A 115 -13.203 8.135 13.013 1.00 0.00 O ATOM 1844 CB ASN A 115 -11.003 10.350 14.544 1.00 0.00 C ATOM 1845 CG ASN A 115 -10.261 10.308 15.881 1.00 0.00 C ATOM 1846 OD1 ASN A 115 -10.365 9.348 16.617 1.00 0.00 O ATOM 1847 ND2 ASN A 115 -9.510 11.318 16.228 1.00 0.00 N ATOM 0 H ASN A 115 -9.609 8.972 12.563 1.00 0.00 H new ATOM 0 HA ASN A 115 -11.451 8.269 14.835 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -10.447 10.954 13.826 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -11.977 10.822 14.671 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -9.011 11.300 17.117 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.423 12.125 15.610 1.00 0.00 H new ATOM 1854 N ASP A 116 -12.134 9.745 11.955 1.00 0.00 N ATOM 1855 CA ASP A 116 -13.145 9.788 10.862 1.00 0.00 C ATOM 1856 C ASP A 116 -12.579 10.570 9.675 1.00 0.00 C ATOM 1857 O ASP A 116 -13.308 11.208 8.939 1.00 0.00 O ATOM 1858 CB ASP A 116 -14.418 10.471 11.366 1.00 0.00 C ATOM 1859 CG ASP A 116 -15.627 9.923 10.605 1.00 0.00 C ATOM 1860 OD1 ASP A 116 -15.947 10.474 9.564 1.00 0.00 O ATOM 1861 OD2 ASP A 116 -16.213 8.962 11.076 1.00 0.00 O ATOM 0 H ASP A 116 -11.364 10.407 11.856 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.382 8.772 10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -14.538 10.296 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -14.345 11.549 11.226 1.00 0.00 H new ATOM 1866 N GLY A 117 -11.284 10.522 9.486 1.00 0.00 N ATOM 1867 CA GLY A 117 -10.660 11.259 8.348 1.00 0.00 C ATOM 1868 C GLY A 117 -9.141 11.294 8.521 1.00 0.00 C ATOM 1869 O GLY A 117 -8.497 12.293 8.264 1.00 0.00 O ATOM 0 H GLY A 117 -10.632 10.002 10.073 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.916 10.775 7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.053 12.275 8.302 1.00 0.00 H new ATOM 1873 N GLU A 118 -8.569 10.202 8.944 1.00 0.00 N ATOM 1874 CA GLU A 118 -7.091 10.133 9.128 1.00 0.00 C ATOM 1875 C GLU A 118 -6.661 8.689 8.864 1.00 0.00 C ATOM 1876 O GLU A 118 -6.364 7.936 9.771 1.00 0.00 O ATOM 1877 CB GLU A 118 -6.729 10.539 10.561 1.00 0.00 C ATOM 1878 CG GLU A 118 -6.123 11.946 10.562 1.00 0.00 C ATOM 1879 CD GLU A 118 -5.110 12.066 11.703 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -4.290 11.173 11.836 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -5.173 13.048 12.423 1.00 0.00 O ATOM 0 H GLU A 118 -9.069 9.343 9.173 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.583 10.812 8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.618 10.515 11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.020 9.827 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.636 12.144 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -6.909 12.692 10.680 1.00 0.00 H new ATOM 1888 N LEU A 119 -6.679 8.296 7.621 1.00 0.00 N ATOM 1889 CA LEU A 119 -6.333 6.894 7.249 1.00 0.00 C ATOM 1890 C LEU A 119 -4.826 6.734 7.003 1.00 0.00 C ATOM 1891 O LEU A 119 -4.315 7.145 5.986 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.097 6.565 5.965 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.162 5.052 5.749 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -8.550 4.663 5.229 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.108 4.644 4.722 1.00 0.00 C ATOM 0 H LEU A 119 -6.923 8.897 6.834 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.604 6.221 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.106 6.973 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.609 7.039 5.113 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.974 4.544 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.592 3.585 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.307 4.956 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.740 5.171 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.151 3.566 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.301 5.156 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.118 4.918 5.088 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.115 6.107 7.910 1.00 0.00 N ATOM 1908 CA ILE A 120 -2.646 5.895 7.691 1.00 0.00 C ATOM 1909 C ILE A 120 -2.460 4.552 6.982 1.00 0.00 C ATOM 1910 O ILE A 120 -2.728 3.508 7.534 1.00 0.00 O ATOM 1911 CB ILE A 120 -1.906 5.919 9.032 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -2.395 4.778 9.933 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -2.184 7.252 9.716 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.389 3.626 9.890 1.00 0.00 C ATOM 0 H ILE A 120 -4.483 5.735 8.786 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.232 6.692 7.074 1.00 0.00 H new ATOM 0 HB ILE A 120 -0.837 5.794 8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.513 5.134 10.957 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.374 4.432 9.601 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.664 7.285 10.673 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -1.831 8.066 9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.256 7.359 9.882 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.737 2.815 10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.294 3.264 8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.419 3.977 10.243 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.046 4.582 5.745 1.00 0.00 N ATOM 1927 CA LEU A 121 -1.900 3.322 4.969 1.00 0.00 C ATOM 1928 C LEU A 121 -0.418 3.036 4.649 1.00 0.00 C ATOM 1929 O LEU A 121 0.271 3.823 4.031 1.00 0.00 O ATOM 1930 CB LEU A 121 -2.761 3.474 3.690 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.501 2.377 2.640 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.274 2.745 1.810 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.275 1.018 3.300 1.00 0.00 C ATOM 0 H LEU A 121 -1.801 5.432 5.237 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.246 2.464 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.815 3.458 3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.564 4.448 3.243 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.380 2.306 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.091 1.968 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.448 3.696 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.406 2.834 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.094 0.266 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.411 1.074 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.158 0.742 3.877 1.00 0.00 H new ATOM 1945 N THR A 122 0.052 1.890 5.081 1.00 0.00 N ATOM 1946 CA THR A 122 1.467 1.467 4.843 1.00 0.00 C ATOM 1947 C THR A 122 1.493 0.381 3.765 1.00 0.00 C ATOM 1948 O THR A 122 0.516 -0.286 3.531 1.00 0.00 O ATOM 1949 CB THR A 122 2.016 0.858 6.127 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.864 1.779 7.198 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.492 0.507 5.950 1.00 0.00 C ATOM 0 H THR A 122 -0.503 1.212 5.603 1.00 0.00 H new ATOM 0 HA THR A 122 2.059 2.328 4.533 1.00 0.00 H new ATOM 0 HB THR A 122 1.461 -0.052 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.217 1.383 8.022 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.876 0.072 6.873 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.600 -0.212 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 122 4.055 1.410 5.713 1.00 0.00 H new ATOM 1959 N MET A 123 2.615 0.172 3.141 1.00 0.00 N ATOM 1960 CA MET A 123 2.709 -0.902 2.105 1.00 0.00 C ATOM 1961 C MET A 123 4.167 -1.305 1.931 1.00 0.00 C ATOM 1962 O MET A 123 4.903 -0.709 1.169 1.00 0.00 O ATOM 1963 CB MET A 123 2.143 -0.412 0.780 1.00 0.00 C ATOM 1964 CG MET A 123 2.090 -1.586 -0.210 1.00 0.00 C ATOM 1965 SD MET A 123 3.445 -1.459 -1.403 1.00 0.00 S ATOM 1966 CE MET A 123 3.013 0.177 -2.033 1.00 0.00 C ATOM 0 H MET A 123 3.475 0.697 3.300 1.00 0.00 H new ATOM 0 HA MET A 123 2.127 -1.765 2.430 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.145 0.001 0.927 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.764 0.390 0.380 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.159 -2.530 0.330 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.134 -1.587 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 123 3.325 0.260 -3.074 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.935 0.320 -1.965 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.518 0.940 -1.441 1.00 0.00 H new ATOM 1976 N THR A 124 4.587 -2.307 2.651 1.00 0.00 N ATOM 1977 CA THR A 124 6.011 -2.753 2.567 1.00 0.00 C ATOM 1978 C THR A 124 6.284 -3.427 1.239 1.00 0.00 C ATOM 1979 O THR A 124 5.384 -3.734 0.479 1.00 0.00 O ATOM 1980 CB THR A 124 6.374 -3.724 3.715 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.136 -5.072 3.322 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.560 -3.427 4.978 1.00 0.00 C ATOM 0 H THR A 124 4.005 -2.840 3.297 1.00 0.00 H new ATOM 0 HA THR A 124 6.631 -1.861 2.658 1.00 0.00 H new ATOM 0 HB THR A 124 7.432 -3.582 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.236 -5.341 3.603 1.00 0.00 H new ATOM 0 HG21 THR A 124 5.840 -4.128 5.765 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.762 -2.409 5.310 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.497 -3.533 4.759 1.00 0.00 H new ATOM 1990 N ALA A 125 7.539 -3.662 0.966 1.00 0.00 N ATOM 1991 CA ALA A 125 7.902 -4.326 -0.315 1.00 0.00 C ATOM 1992 C ALA A 125 9.399 -4.619 -0.403 1.00 0.00 C ATOM 1993 O ALA A 125 10.198 -3.752 -0.689 1.00 0.00 O ATOM 1994 CB ALA A 125 7.504 -3.430 -1.482 1.00 0.00 C ATOM 0 H ALA A 125 8.324 -3.424 1.572 1.00 0.00 H new ATOM 0 HA ALA A 125 7.367 -5.275 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.770 -3.916 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.429 -3.255 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.029 -2.478 -1.405 1.00 0.00 H new ATOM 2000 N ASP A 126 9.789 -5.851 -0.201 1.00 0.00 N ATOM 2001 CA ASP A 126 11.240 -6.205 -0.301 1.00 0.00 C ATOM 2002 C ASP A 126 12.016 -5.501 0.814 1.00 0.00 C ATOM 2003 O ASP A 126 13.166 -5.148 0.646 1.00 0.00 O ATOM 2004 CB ASP A 126 11.792 -5.765 -1.660 1.00 0.00 C ATOM 2005 CG ASP A 126 12.723 -6.845 -2.217 1.00 0.00 C ATOM 2006 OD1 ASP A 126 13.816 -6.986 -1.693 1.00 0.00 O ATOM 2007 OD2 ASP A 126 12.327 -7.512 -3.159 1.00 0.00 O ATOM 0 H ASP A 126 9.168 -6.627 0.029 1.00 0.00 H new ATOM 0 HA ASP A 126 11.352 -7.285 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.972 -5.586 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.333 -4.824 -1.556 1.00 0.00 H new ATOM 2012 N ASP A 127 11.371 -5.312 1.946 1.00 0.00 N ATOM 2013 CA ASP A 127 11.987 -4.649 3.154 1.00 0.00 C ATOM 2014 C ASP A 127 11.688 -3.150 3.159 1.00 0.00 C ATOM 2015 O ASP A 127 11.953 -2.474 4.137 1.00 0.00 O ATOM 2016 CB ASP A 127 13.505 -4.869 3.232 1.00 0.00 C ATOM 2017 CG ASP A 127 13.950 -4.870 4.695 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.236 -5.431 5.510 1.00 0.00 O ATOM 2019 OD2 ASP A 127 14.997 -4.311 4.976 1.00 0.00 O ATOM 0 H ASP A 127 10.403 -5.601 2.089 1.00 0.00 H new ATOM 0 HA ASP A 127 11.536 -5.116 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.770 -5.815 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.025 -4.083 2.684 1.00 0.00 H new ATOM 2024 N VAL A 128 11.121 -2.617 2.100 1.00 0.00 N ATOM 2025 CA VAL A 128 10.798 -1.173 2.093 1.00 0.00 C ATOM 2026 C VAL A 128 9.460 -0.986 2.800 1.00 0.00 C ATOM 2027 O VAL A 128 8.806 -1.944 3.156 1.00 0.00 O ATOM 2028 CB VAL A 128 10.713 -0.668 0.642 1.00 0.00 C ATOM 2029 CG1 VAL A 128 11.974 -1.074 -0.126 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.488 -1.254 -0.061 1.00 0.00 C ATOM 0 H VAL A 128 10.874 -3.125 1.251 1.00 0.00 H new ATOM 0 HA VAL A 128 11.572 -0.604 2.607 1.00 0.00 H new ATOM 0 HB VAL A 128 10.627 0.418 0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 128 11.907 -0.713 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.849 -0.638 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.065 -2.160 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.445 -0.885 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.559 -2.342 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.585 -0.954 0.471 1.00 0.00 H new ATOM 2040 N VAL A 129 9.049 0.231 2.985 1.00 0.00 N ATOM 2041 CA VAL A 129 7.743 0.485 3.643 1.00 0.00 C ATOM 2042 C VAL A 129 7.229 1.862 3.228 1.00 0.00 C ATOM 2043 O VAL A 129 7.783 2.885 3.576 1.00 0.00 O ATOM 2044 CB VAL A 129 7.902 0.326 5.176 1.00 0.00 C ATOM 2045 CG1 VAL A 129 7.086 1.376 5.962 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.428 -1.082 5.571 1.00 0.00 C ATOM 0 H VAL A 129 9.564 1.067 2.707 1.00 0.00 H new ATOM 0 HA VAL A 129 6.995 -0.242 3.325 1.00 0.00 H new ATOM 0 HB VAL A 129 8.952 0.475 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 129 7.230 1.223 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.423 2.376 5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.028 1.271 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.533 -1.212 6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.382 -1.206 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.033 -1.828 5.055 1.00 0.00 H new ATOM 2056 N CYS A 130 6.154 1.868 2.496 1.00 0.00 N ATOM 2057 CA CYS A 130 5.549 3.151 2.044 1.00 0.00 C ATOM 2058 C CYS A 130 4.483 3.570 3.054 1.00 0.00 C ATOM 2059 O CYS A 130 3.329 3.203 2.937 1.00 0.00 O ATOM 2060 CB CYS A 130 4.906 2.962 0.668 1.00 0.00 C ATOM 2061 SG CYS A 130 4.933 4.532 -0.232 1.00 0.00 S ATOM 0 H CYS A 130 5.662 1.030 2.187 1.00 0.00 H new ATOM 0 HA CYS A 130 6.319 3.920 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.444 2.199 0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.880 2.612 0.779 1.00 0.00 H new ATOM 0 HG CYS A 130 4.389 4.371 -1.402 1.00 0.00 H new ATOM 2067 N THR A 131 4.868 4.322 4.053 1.00 0.00 N ATOM 2068 CA THR A 131 3.890 4.758 5.090 1.00 0.00 C ATOM 2069 C THR A 131 3.539 6.229 4.891 1.00 0.00 C ATOM 2070 O THR A 131 4.404 7.084 4.849 1.00 0.00 O ATOM 2071 CB THR A 131 4.510 4.585 6.477 1.00 0.00 C ATOM 2072 OG1 THR A 131 5.435 3.508 6.451 1.00 0.00 O ATOM 2073 CG2 THR A 131 3.412 4.294 7.503 1.00 0.00 C ATOM 0 H THR A 131 5.822 4.653 4.194 1.00 0.00 H new ATOM 0 HA THR A 131 2.988 4.152 5.002 1.00 0.00 H new ATOM 0 HB THR A 131 5.028 5.502 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.834 3.398 7.339 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.859 4.172 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.706 5.124 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.888 3.379 7.226 1.00 0.00 H new ATOM 2081 N ARG A 132 2.273 6.529 4.788 1.00 0.00 N ATOM 2082 CA ARG A 132 1.848 7.949 4.615 1.00 0.00 C ATOM 2083 C ARG A 132 0.433 8.115 5.154 1.00 0.00 C ATOM 2084 O ARG A 132 -0.431 7.290 4.922 1.00 0.00 O ATOM 2085 CB ARG A 132 1.893 8.377 3.136 1.00 0.00 C ATOM 2086 CG ARG A 132 1.603 7.199 2.201 1.00 0.00 C ATOM 2087 CD ARG A 132 1.387 7.728 0.783 1.00 0.00 C ATOM 2088 NE ARG A 132 1.413 6.593 -0.181 1.00 0.00 N ATOM 2089 CZ ARG A 132 1.444 6.827 -1.465 1.00 0.00 C ATOM 2090 NH1 ARG A 132 0.432 7.411 -2.046 1.00 0.00 N ATOM 2091 NH2 ARG A 132 2.487 6.476 -2.167 1.00 0.00 N ATOM 0 H ARG A 132 1.512 5.850 4.816 1.00 0.00 H new ATOM 0 HA ARG A 132 2.540 8.585 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.164 9.168 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.874 8.792 2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.433 6.493 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.719 6.659 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.432 8.250 0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.163 8.451 0.531 1.00 0.00 H new ATOM 0 HE ARG A 132 1.407 5.632 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -0.383 7.685 -1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 132 0.456 7.594 -3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 132 3.277 6.019 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 132 2.512 6.659 -3.170 1.00 0.00 H new ATOM 2105 N VAL A 133 0.195 9.177 5.875 1.00 0.00 N ATOM 2106 CA VAL A 133 -1.161 9.409 6.441 1.00 0.00 C ATOM 2107 C VAL A 133 -2.086 9.891 5.330 1.00 0.00 C ATOM 2108 O VAL A 133 -1.653 10.444 4.342 1.00 0.00 O ATOM 2109 CB VAL A 133 -1.072 10.467 7.555 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -2.475 10.863 8.028 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -0.287 9.890 8.735 1.00 0.00 C ATOM 0 H VAL A 133 0.885 9.895 6.096 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.556 8.484 6.862 1.00 0.00 H new ATOM 0 HB VAL A 133 -0.567 11.351 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -2.395 11.612 8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.038 11.275 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.991 9.984 8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -0.221 10.636 9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.797 9.004 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 133 0.717 9.619 8.407 1.00 0.00 H new ATOM 2121 N TYR A 134 -3.359 9.696 5.509 1.00 0.00 N ATOM 2122 CA TYR A 134 -4.336 10.153 4.496 1.00 0.00 C ATOM 2123 C TYR A 134 -5.486 10.844 5.199 1.00 0.00 C ATOM 2124 O TYR A 134 -5.691 10.684 6.387 1.00 0.00 O ATOM 2125 CB TYR A 134 -4.933 8.980 3.738 1.00 0.00 C ATOM 2126 CG TYR A 134 -3.917 8.345 2.835 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -2.864 7.610 3.380 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -4.044 8.472 1.449 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -1.933 7.002 2.541 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -3.111 7.868 0.606 1.00 0.00 C ATOM 2131 CZ TYR A 134 -2.052 7.129 1.150 1.00 0.00 C ATOM 2132 OH TYR A 134 -1.131 6.527 0.319 1.00 0.00 O ATOM 0 H TYR A 134 -3.765 9.235 6.323 1.00 0.00 H new ATOM 0 HA TYR A 134 -3.814 10.816 3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -5.309 8.240 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -5.785 9.320 3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -2.771 7.512 4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -4.864 9.037 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.118 6.432 2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -3.205 7.970 -0.465 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.562 6.288 -0.528 1.00 0.00 H new ATOM 2142 N VAL A 135 -6.265 11.566 4.458 1.00 0.00 N ATOM 2143 CA VAL A 135 -7.450 12.228 5.038 1.00 0.00 C ATOM 2144 C VAL A 135 -8.589 12.015 4.061 1.00 0.00 C ATOM 2145 O VAL A 135 -8.355 11.665 2.928 1.00 0.00 O ATOM 2146 CB VAL A 135 -7.187 13.704 5.224 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -8.420 14.348 5.838 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -6.003 13.874 6.169 1.00 0.00 C ATOM 0 H VAL A 135 -6.128 11.727 3.460 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.691 11.813 6.017 1.00 0.00 H new ATOM 0 HB VAL A 135 -6.965 14.174 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -8.242 15.414 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -9.273 14.206 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -8.630 13.886 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.802 14.936 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.236 13.416 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.124 13.393 5.741 1.00 0.00 H new ATOM 2158 N ARG A 136 -9.808 12.200 4.465 1.00 0.00 N ATOM 2159 CA ARG A 136 -10.912 11.965 3.494 1.00 0.00 C ATOM 2160 C ARG A 136 -11.088 13.193 2.612 1.00 0.00 C ATOM 2161 O ARG A 136 -11.404 14.273 3.072 1.00 0.00 O ATOM 2162 CB ARG A 136 -12.226 11.631 4.199 1.00 0.00 C ATOM 2163 CG ARG A 136 -12.468 10.122 4.128 1.00 0.00 C ATOM 2164 CD ARG A 136 -13.157 9.650 5.410 1.00 0.00 C ATOM 2165 NE ARG A 136 -14.429 10.403 5.596 1.00 0.00 N ATOM 2166 CZ ARG A 136 -15.555 9.757 5.732 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -15.732 8.961 6.751 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -16.504 9.908 4.849 1.00 0.00 N ATOM 0 H ARG A 136 -10.088 12.496 5.400 1.00 0.00 H new ATOM 0 HA ARG A 136 -10.643 11.106 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -12.187 11.956 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -13.051 12.166 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -13.086 9.883 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -11.521 9.598 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -13.360 8.581 5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -12.501 9.806 6.267 1.00 0.00 H new ATOM 0 HE ARG A 136 -14.420 11.423 5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -14.990 8.844 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -16.612 8.456 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -16.366 10.531 4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -17.384 9.403 4.955 1.00 0.00 H new ATOM 2182 N GLU A 137 -10.872 13.019 1.341 1.00 0.00 N ATOM 2183 CA GLU A 137 -11.004 14.148 0.375 1.00 0.00 C ATOM 2184 C GLU A 137 -12.403 14.766 0.472 1.00 0.00 C ATOM 2185 O GLU A 137 -12.487 15.962 0.703 1.00 0.00 O ATOM 2186 CB GLU A 137 -10.778 13.628 -1.046 1.00 0.00 C ATOM 2187 CG GLU A 137 -10.331 14.780 -1.947 1.00 0.00 C ATOM 2188 CD GLU A 137 -10.724 14.477 -3.394 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -11.853 14.067 -3.607 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -9.889 14.661 -4.265 1.00 0.00 O ATOM 2191 OXT GLU A 137 -13.366 14.033 0.315 1.00 0.00 O ATOM 0 H GLU A 137 -10.605 12.129 0.921 1.00 0.00 H new ATOM 0 HA GLU A 137 -10.261 14.909 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -10.023 12.842 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -11.696 13.185 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -10.793 15.712 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -9.252 14.916 -1.873 1.00 0.00 H new TER 2198 GLU A 137