USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 578 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 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 27 HIS : no HD1:sc=-0.00842 X(o=-0.0084,f=0) USER MOD Single : A 28 MET CE :methyl -161:sc= -0.0943 (180deg=-0.517) USER MOD Single : A 30 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.79) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0.0637 (180deg=-0.131) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.583! (180deg=-2.43!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.0323 (180deg=-0.252) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.581 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 92:sc= 0.0266 USER MOD Single : A 67 ASN : amide:sc= 0.924 K(o=0.92,f=-6.4!) USER MOD Single : A 73 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.2!) USER MOD Single : A 78 LYS NZ :NH3+ 156:sc=0.000357 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 82 ASN : amide:sc= -2.12! K(o=-2.1!,f=-0.15) USER MOD Single : A 86 ASN : amide:sc= -0.0914 K(o=-0.091,f=-1.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -8.761 15.955 0.769 1.00 0.00 N ATOM 2 CA GLY A 25 -9.432 15.339 1.940 1.00 0.00 C ATOM 3 C GLY A 25 -9.907 13.930 1.651 1.00 0.00 C ATOM 4 O GLY A 25 -9.289 13.212 0.864 1.00 0.00 O ATOM 0 HA2 GLY A 25 -8.743 15.322 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.282 15.954 2.235 1.00 0.00 H new ATOM 10 N SER A 26 -11.007 13.535 2.278 1.00 0.00 N ATOM 11 CA SER A 26 -11.549 12.195 2.107 1.00 0.00 C ATOM 12 C SER A 26 -12.178 12.040 0.722 1.00 0.00 C ATOM 13 O SER A 26 -12.866 12.941 0.235 1.00 0.00 O ATOM 14 CB SER A 26 -12.564 11.898 3.216 1.00 0.00 C ATOM 15 OG SER A 26 -13.462 12.984 3.399 1.00 0.00 O ATOM 0 H SER A 26 -11.543 14.127 2.912 1.00 0.00 H new ATOM 0 HA SER A 26 -10.737 11.471 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.125 10.997 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.038 11.697 4.149 1.00 0.00 H new ATOM 0 HG SER A 26 -14.099 12.766 4.111 1.00 0.00 H new ATOM 21 N HIS A 27 -11.913 10.908 0.080 1.00 0.00 N ATOM 22 CA HIS A 27 -12.416 10.656 -1.269 1.00 0.00 C ATOM 23 C HIS A 27 -13.231 9.372 -1.329 1.00 0.00 C ATOM 24 O HIS A 27 -14.210 9.285 -2.065 1.00 0.00 O ATOM 25 CB HIS A 27 -11.266 10.571 -2.277 1.00 0.00 C ATOM 26 CG HIS A 27 -10.682 11.898 -2.651 1.00 0.00 C ATOM 27 ND1 HIS A 27 -11.168 12.663 -3.684 1.00 0.00 N ATOM 28 CD2 HIS A 27 -9.637 12.586 -2.135 1.00 0.00 C ATOM 29 CE1 HIS A 27 -10.450 13.764 -3.790 1.00 0.00 C ATOM 30 NE2 HIS A 27 -9.513 13.744 -2.860 1.00 0.00 N ATOM 0 H HIS A 27 -11.353 10.150 0.470 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.062 11.495 -1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.478 9.943 -1.861 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.624 10.076 -3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.016 12.280 -1.306 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.603 14.550 -4.515 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.813 14.470 -2.706 1.00 0.00 H new ATOM 39 N MET A 28 -12.817 8.379 -0.554 1.00 0.00 N ATOM 40 CA MET A 28 -13.463 7.078 -0.558 1.00 0.00 C ATOM 41 C MET A 28 -12.940 6.253 0.611 1.00 0.00 C ATOM 42 O MET A 28 -11.852 5.679 0.533 1.00 0.00 O ATOM 43 CB MET A 28 -13.197 6.348 -1.881 1.00 0.00 C ATOM 44 CG MET A 28 -13.872 4.988 -1.974 1.00 0.00 C ATOM 45 SD MET A 28 -13.540 4.136 -3.531 1.00 0.00 S ATOM 46 CE MET A 28 -14.313 5.251 -4.700 1.00 0.00 C ATOM 0 H MET A 28 -12.030 8.453 0.090 1.00 0.00 H new ATOM 0 HA MET A 28 -14.540 7.214 -0.455 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.541 6.972 -2.706 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.122 6.220 -2.005 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.534 4.364 -1.146 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.948 5.115 -1.859 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.495 4.726 -5.638 1.00 0.00 H new ATOM 0 HE2 MET A 28 -15.260 5.606 -4.293 1.00 0.00 H new ATOM 0 HE3 MET A 28 -13.655 6.101 -4.882 1.00 0.00 H new ATOM 56 N PRO A 29 -13.705 6.206 1.712 1.00 0.00 N ATOM 57 CA PRO A 29 -13.313 5.482 2.927 1.00 0.00 C ATOM 58 C PRO A 29 -12.930 4.036 2.646 1.00 0.00 C ATOM 59 O PRO A 29 -12.045 3.484 3.293 1.00 0.00 O ATOM 60 CB PRO A 29 -14.568 5.546 3.800 1.00 0.00 C ATOM 61 CG PRO A 29 -15.286 6.766 3.339 1.00 0.00 C ATOM 62 CD PRO A 29 -15.011 6.876 1.867 1.00 0.00 C ATOM 0 HA PRO A 29 -12.431 5.920 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -15.182 4.654 3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.312 5.613 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -16.356 6.685 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.933 7.650 3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.786 6.388 1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.970 7.916 1.542 1.00 0.00 H new ATOM 70 N GLN A 30 -13.582 3.448 1.655 1.00 0.00 N ATOM 71 CA GLN A 30 -13.319 2.068 1.260 1.00 0.00 C ATOM 72 C GLN A 30 -11.859 1.890 0.856 1.00 0.00 C ATOM 73 O GLN A 30 -11.229 0.885 1.188 1.00 0.00 O ATOM 74 CB GLN A 30 -14.244 1.687 0.104 1.00 0.00 C ATOM 75 CG GLN A 30 -13.815 0.447 -0.667 1.00 0.00 C ATOM 76 CD GLN A 30 -14.670 0.216 -1.898 1.00 0.00 C ATOM 77 OE1 GLN A 30 -15.861 0.527 -1.910 1.00 0.00 O ATOM 78 NE2 GLN A 30 -14.063 -0.314 -2.948 1.00 0.00 N ATOM 0 H GLN A 30 -14.305 3.909 1.103 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.513 1.412 2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.248 1.525 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.304 2.527 -0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.771 0.549 -0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.877 -0.424 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.074 -0.558 -2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.584 -0.479 -3.809 1.00 0.00 H new ATOM 87 N ILE A 31 -11.321 2.885 0.164 1.00 0.00 N ATOM 88 CA ILE A 31 -9.926 2.868 -0.235 1.00 0.00 C ATOM 89 C ILE A 31 -9.041 2.986 0.994 1.00 0.00 C ATOM 90 O ILE A 31 -8.087 2.232 1.158 1.00 0.00 O ATOM 91 CB ILE A 31 -9.614 4.006 -1.236 1.00 0.00 C ATOM 92 CG1 ILE A 31 -10.222 3.682 -2.602 1.00 0.00 C ATOM 93 CG2 ILE A 31 -8.116 4.243 -1.361 1.00 0.00 C ATOM 94 CD1 ILE A 31 -9.737 2.370 -3.191 1.00 0.00 C ATOM 0 H ILE A 31 -11.834 3.715 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 31 -9.723 1.922 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.061 4.924 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.307 3.648 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.987 4.490 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.933 5.049 -2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.709 4.518 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.632 3.332 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.211 2.208 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.655 2.406 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.996 1.552 -2.519 1.00 0.00 H new ATOM 106 N GLU A 32 -9.403 3.912 1.871 1.00 0.00 N ATOM 107 CA GLU A 32 -8.671 4.147 3.111 1.00 0.00 C ATOM 108 C GLU A 32 -8.579 2.863 3.942 1.00 0.00 C ATOM 109 O GLU A 32 -7.505 2.503 4.443 1.00 0.00 O ATOM 110 CB GLU A 32 -9.364 5.261 3.901 1.00 0.00 C ATOM 111 CG GLU A 32 -9.392 6.588 3.156 1.00 0.00 C ATOM 112 CD GLU A 32 -10.399 7.576 3.717 1.00 0.00 C ATOM 113 OE1 GLU A 32 -10.399 7.811 4.948 1.00 0.00 O ATOM 114 OE2 GLU A 32 -11.203 8.118 2.927 1.00 0.00 O ATOM 0 H GLU A 32 -10.211 4.522 1.745 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.653 4.456 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.386 4.956 4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.852 5.396 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.399 7.035 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.623 6.402 2.107 1.00 0.00 H new ATOM 121 N ARG A 33 -9.703 2.154 4.060 1.00 0.00 N ATOM 122 CA ARG A 33 -9.739 0.894 4.801 1.00 0.00 C ATOM 123 C ARG A 33 -8.877 -0.144 4.100 1.00 0.00 C ATOM 124 O ARG A 33 -8.163 -0.921 4.735 1.00 0.00 O ATOM 125 CB ARG A 33 -11.170 0.346 4.916 1.00 0.00 C ATOM 126 CG ARG A 33 -12.219 1.379 5.286 1.00 0.00 C ATOM 127 CD ARG A 33 -11.861 2.129 6.556 1.00 0.00 C ATOM 128 NE ARG A 33 -12.789 3.228 6.802 1.00 0.00 N ATOM 129 CZ ARG A 33 -12.411 4.457 7.152 1.00 0.00 C ATOM 130 NH1 ARG A 33 -11.124 4.736 7.310 1.00 0.00 N ATOM 131 NH2 ARG A 33 -13.313 5.410 7.337 1.00 0.00 N ATOM 0 H ARG A 33 -10.597 2.430 3.653 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.358 1.093 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.448 -0.109 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.181 -0.447 5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.333 2.089 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.182 0.886 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.874 1.442 7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.846 2.518 6.477 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.787 3.044 6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.423 4.010 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.835 5.677 7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.304 5.205 7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.016 6.348 7.605 1.00 0.00 H new ATOM 145 N ARG A 34 -8.943 -0.138 2.778 1.00 0.00 N ATOM 146 CA ARG A 34 -8.240 -1.111 1.971 1.00 0.00 C ATOM 147 C ARG A 34 -6.733 -0.939 2.089 1.00 0.00 C ATOM 148 O ARG A 34 -6.004 -1.922 2.085 1.00 0.00 O ATOM 149 CB ARG A 34 -8.678 -1.024 0.514 1.00 0.00 C ATOM 150 CG ARG A 34 -9.194 -2.345 -0.036 1.00 0.00 C ATOM 151 CD ARG A 34 -10.665 -2.580 0.304 1.00 0.00 C ATOM 152 NE ARG A 34 -10.932 -2.562 1.744 1.00 0.00 N ATOM 153 CZ ARG A 34 -12.162 -2.544 2.269 1.00 0.00 C ATOM 154 NH1 ARG A 34 -13.227 -2.612 1.479 1.00 0.00 N ATOM 155 NH2 ARG A 34 -12.330 -2.480 3.584 1.00 0.00 N ATOM 0 H ARG A 34 -9.484 0.540 2.241 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.495 -2.101 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.459 -0.269 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.836 -0.689 -0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.067 -2.360 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.595 -3.162 0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.271 -1.815 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.977 -3.541 -0.105 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.136 -2.563 2.382 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.109 -2.678 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.163 -2.598 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.518 -2.444 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.271 -2.467 3.978 1.00 0.00 H new ATOM 169 N ILE A 35 -6.272 0.307 2.203 1.00 0.00 N ATOM 170 CA ILE A 35 -4.848 0.582 2.334 1.00 0.00 C ATOM 171 C ILE A 35 -4.302 -0.108 3.577 1.00 0.00 C ATOM 172 O ILE A 35 -3.239 -0.732 3.539 1.00 0.00 O ATOM 173 CB ILE A 35 -4.562 2.098 2.433 1.00 0.00 C ATOM 174 CG1 ILE A 35 -5.170 2.836 1.243 1.00 0.00 C ATOM 175 CG2 ILE A 35 -3.062 2.355 2.497 1.00 0.00 C ATOM 176 CD1 ILE A 35 -5.044 4.341 1.327 1.00 0.00 C ATOM 0 H ILE A 35 -6.865 1.137 2.207 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.357 0.199 1.440 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.020 2.473 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.687 2.491 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.225 2.573 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.879 3.427 2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.645 1.858 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.587 1.963 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.499 4.794 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.552 4.699 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.990 4.616 1.373 1.00 0.00 H new ATOM 188 N LYS A 36 -5.041 -0.011 4.677 1.00 0.00 N ATOM 189 CA LYS A 36 -4.618 -0.641 5.922 1.00 0.00 C ATOM 190 C LYS A 36 -4.648 -2.157 5.791 1.00 0.00 C ATOM 191 O LYS A 36 -3.728 -2.845 6.238 1.00 0.00 O ATOM 192 CB LYS A 36 -5.487 -0.192 7.095 1.00 0.00 C ATOM 193 CG LYS A 36 -5.672 1.313 7.167 1.00 0.00 C ATOM 194 CD LYS A 36 -4.386 2.064 6.848 1.00 0.00 C ATOM 195 CE LYS A 36 -4.657 3.550 6.723 1.00 0.00 C ATOM 196 NZ LYS A 36 -3.415 4.330 6.507 1.00 0.00 N ATOM 0 H LYS A 36 -5.927 0.492 4.732 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.594 -0.326 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.465 -0.667 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.037 -0.540 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.451 1.616 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.014 1.588 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.650 1.887 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.958 1.687 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.342 3.724 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.154 3.904 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.658 5.322 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.822 4.282 7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.892 3.934 5.700 1.00 0.00 H new ATOM 210 N LYS A 37 -5.703 -2.673 5.163 1.00 0.00 N ATOM 211 CA LYS A 37 -5.816 -4.107 4.924 1.00 0.00 C ATOM 212 C LYS A 37 -4.682 -4.589 4.034 1.00 0.00 C ATOM 213 O LYS A 37 -4.137 -5.664 4.252 1.00 0.00 O ATOM 214 CB LYS A 37 -7.155 -4.474 4.277 1.00 0.00 C ATOM 215 CG LYS A 37 -8.363 -4.196 5.153 1.00 0.00 C ATOM 216 CD LYS A 37 -9.629 -4.842 4.599 1.00 0.00 C ATOM 217 CE LYS A 37 -9.764 -6.308 5.008 1.00 0.00 C ATOM 218 NZ LYS A 37 -8.673 -7.169 4.473 1.00 0.00 N ATOM 0 H LYS A 37 -6.487 -2.122 4.813 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.758 -4.598 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.260 -3.919 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.143 -5.533 4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.175 -4.570 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.511 -3.119 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.500 -4.288 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.624 -4.770 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.771 -6.376 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.723 -6.689 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.991 -8.159 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.430 -6.863 3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.835 -7.088 5.084 1.00 0.00 H new ATOM 232 N LEU A 38 -4.327 -3.783 3.039 1.00 0.00 N ATOM 233 CA LEU A 38 -3.255 -4.131 2.118 1.00 0.00 C ATOM 234 C LEU A 38 -1.954 -4.305 2.864 1.00 0.00 C ATOM 235 O LEU A 38 -1.251 -5.301 2.683 1.00 0.00 O ATOM 236 CB LEU A 38 -3.079 -3.062 1.039 1.00 0.00 C ATOM 237 CG LEU A 38 -4.150 -3.036 -0.048 1.00 0.00 C ATOM 238 CD1 LEU A 38 -3.890 -1.892 -1.014 1.00 0.00 C ATOM 239 CD2 LEU A 38 -4.189 -4.363 -0.787 1.00 0.00 C ATOM 0 H LEU A 38 -4.768 -2.883 2.851 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.529 -5.070 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.054 -2.085 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.109 -3.208 0.564 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.121 -2.878 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.661 -1.884 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.909 -0.947 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.913 -2.024 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.958 -4.327 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.220 -4.551 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.417 -5.164 -0.084 1.00 0.00 H new ATOM 251 N ILE A 39 -1.648 -3.347 3.724 1.00 0.00 N ATOM 252 CA ILE A 39 -0.434 -3.413 4.506 1.00 0.00 C ATOM 253 C ILE A 39 -0.462 -4.640 5.415 1.00 0.00 C ATOM 254 O ILE A 39 0.562 -5.290 5.632 1.00 0.00 O ATOM 255 CB ILE A 39 -0.230 -2.107 5.300 1.00 0.00 C ATOM 256 CG1 ILE A 39 0.672 -1.159 4.505 1.00 0.00 C ATOM 257 CG2 ILE A 39 0.348 -2.364 6.689 1.00 0.00 C ATOM 258 CD1 ILE A 39 0.151 -0.815 3.123 1.00 0.00 C ATOM 0 H ILE A 39 -2.222 -2.521 3.894 1.00 0.00 H new ATOM 0 HA ILE A 39 0.420 -3.518 3.837 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.206 -1.644 5.445 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.800 -0.237 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.658 -1.612 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.475 -1.416 7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.332 -3.002 7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.315 -2.858 6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.849 -0.140 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.050 -1.727 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.821 -0.331 3.211 1.00 0.00 H new ATOM 270 N SER A 40 -1.648 -4.972 5.910 1.00 0.00 N ATOM 271 CA SER A 40 -1.819 -6.147 6.751 1.00 0.00 C ATOM 272 C SER A 40 -1.577 -7.419 5.937 1.00 0.00 C ATOM 273 O SER A 40 -0.823 -8.299 6.345 1.00 0.00 O ATOM 274 CB SER A 40 -3.221 -6.164 7.366 1.00 0.00 C ATOM 275 OG SER A 40 -3.353 -7.199 8.327 1.00 0.00 O ATOM 0 H SER A 40 -2.504 -4.444 5.743 1.00 0.00 H new ATOM 0 HA SER A 40 -1.089 -6.107 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.426 -5.202 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.963 -6.299 6.579 1.00 0.00 H new ATOM 0 HG SER A 40 -4.258 -7.183 8.703 1.00 0.00 H new ATOM 281 N LEU A 41 -2.191 -7.479 4.764 1.00 0.00 N ATOM 282 CA LEU A 41 -2.097 -8.633 3.891 1.00 0.00 C ATOM 283 C LEU A 41 -0.657 -8.892 3.500 1.00 0.00 C ATOM 284 O LEU A 41 -0.204 -10.025 3.553 1.00 0.00 O ATOM 285 CB LEU A 41 -2.939 -8.425 2.628 1.00 0.00 C ATOM 286 CG LEU A 41 -4.442 -8.258 2.854 1.00 0.00 C ATOM 287 CD1 LEU A 41 -5.165 -8.072 1.530 1.00 0.00 C ATOM 288 CD2 LEU A 41 -5.004 -9.452 3.605 1.00 0.00 C ATOM 0 H LEU A 41 -2.769 -6.725 4.393 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.479 -9.496 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.568 -7.542 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.782 -9.276 1.965 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.600 -7.365 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.233 -7.955 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.783 -7.183 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.998 -8.945 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.075 -9.315 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.832 -10.360 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.509 -9.539 4.572 1.00 0.00 H new ATOM 300 N GLY A 42 0.065 -7.834 3.135 1.00 0.00 N ATOM 301 CA GLY A 42 1.430 -7.991 2.699 1.00 0.00 C ATOM 302 C GLY A 42 2.312 -8.410 3.841 1.00 0.00 C ATOM 303 O GLY A 42 3.212 -9.230 3.680 1.00 0.00 O ATOM 0 H GLY A 42 -0.278 -6.873 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.479 -8.735 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.792 -7.052 2.280 1.00 0.00 H new ATOM 307 N LYS A 43 2.024 -7.869 5.012 1.00 0.00 N ATOM 308 CA LYS A 43 2.764 -8.217 6.205 1.00 0.00 C ATOM 309 C LYS A 43 2.531 -9.684 6.557 1.00 0.00 C ATOM 310 O LYS A 43 3.462 -10.415 6.889 1.00 0.00 O ATOM 311 CB LYS A 43 2.370 -7.309 7.374 1.00 0.00 C ATOM 312 CG LYS A 43 3.089 -7.650 8.663 1.00 0.00 C ATOM 313 CD LYS A 43 4.593 -7.648 8.466 1.00 0.00 C ATOM 314 CE LYS A 43 5.291 -8.430 9.558 1.00 0.00 C ATOM 315 NZ LYS A 43 5.179 -7.770 10.885 1.00 0.00 N ATOM 0 H LYS A 43 1.281 -7.186 5.159 1.00 0.00 H new ATOM 0 HA LYS A 43 3.826 -8.070 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.584 -6.273 7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.294 -7.381 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.819 -6.929 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.766 -8.630 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.835 -8.079 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.960 -6.622 8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.863 -9.431 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.344 -8.548 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.672 -8.342 11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.611 -6.825 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.176 -7.680 11.145 1.00 0.00 H new ATOM 329 N LYS A 44 1.274 -10.094 6.469 1.00 0.00 N ATOM 330 CA LYS A 44 0.883 -11.488 6.653 1.00 0.00 C ATOM 331 C LYS A 44 1.582 -12.375 5.640 1.00 0.00 C ATOM 332 O LYS A 44 1.947 -13.517 5.929 1.00 0.00 O ATOM 333 CB LYS A 44 -0.626 -11.641 6.474 1.00 0.00 C ATOM 334 CG LYS A 44 -1.399 -11.915 7.759 1.00 0.00 C ATOM 335 CD LYS A 44 -1.838 -10.639 8.472 1.00 0.00 C ATOM 336 CE LYS A 44 -0.660 -9.780 8.894 1.00 0.00 C ATOM 337 NZ LYS A 44 -0.951 -9.003 10.127 1.00 0.00 N ATOM 0 H LYS A 44 0.493 -9.469 6.268 1.00 0.00 H new ATOM 0 HA LYS A 44 1.170 -11.787 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.017 -10.731 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.814 -12.455 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.278 -12.516 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.777 -12.506 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.487 -10.063 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.427 -10.901 9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.210 -10.415 9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.403 -9.095 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.121 -8.430 10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.765 -8.378 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.171 -9.657 10.905 1.00 0.00 H new ATOM 351 N LYS A 45 1.759 -11.827 4.451 1.00 0.00 N ATOM 352 CA LYS A 45 2.386 -12.541 3.354 1.00 0.00 C ATOM 353 C LYS A 45 3.862 -12.772 3.633 1.00 0.00 C ATOM 354 O LYS A 45 4.463 -13.716 3.117 1.00 0.00 O ATOM 355 CB LYS A 45 2.209 -11.767 2.050 1.00 0.00 C ATOM 356 CG LYS A 45 0.783 -11.768 1.539 1.00 0.00 C ATOM 357 CD LYS A 45 0.278 -13.183 1.293 1.00 0.00 C ATOM 358 CE LYS A 45 -1.148 -13.190 0.768 1.00 0.00 C ATOM 359 NZ LYS A 45 -2.089 -12.515 1.702 1.00 0.00 N ATOM 0 H LYS A 45 1.472 -10.876 4.219 1.00 0.00 H new ATOM 0 HA LYS A 45 1.901 -13.512 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.532 -10.737 2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.860 -12.198 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.136 -11.271 2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.727 -11.195 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.931 -13.683 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.326 -13.753 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.180 -12.692 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.471 -14.219 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.068 -12.716 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.933 -12.868 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.925 -11.488 1.678 1.00 0.00 H new ATOM 373 N GLY A 46 4.432 -11.913 4.460 1.00 0.00 N ATOM 374 CA GLY A 46 5.816 -12.074 4.843 1.00 0.00 C ATOM 375 C GLY A 46 6.449 -10.789 5.336 1.00 0.00 C ATOM 376 O GLY A 46 6.867 -10.700 6.491 1.00 0.00 O ATOM 0 H GLY A 46 3.962 -11.108 4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.885 -12.830 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.382 -12.447 3.989 1.00 0.00 H new ATOM 380 N TYR A 47 6.518 -9.794 4.466 1.00 0.00 N ATOM 381 CA TYR A 47 7.184 -8.543 4.776 1.00 0.00 C ATOM 382 C TYR A 47 6.329 -7.369 4.335 1.00 0.00 C ATOM 383 O TYR A 47 5.476 -7.501 3.464 1.00 0.00 O ATOM 384 CB TYR A 47 8.544 -8.468 4.074 1.00 0.00 C ATOM 385 CG TYR A 47 9.554 -9.483 4.564 1.00 0.00 C ATOM 386 CD1 TYR A 47 10.210 -9.304 5.773 1.00 0.00 C ATOM 387 CD2 TYR A 47 9.858 -10.612 3.813 1.00 0.00 C ATOM 388 CE1 TYR A 47 11.139 -10.220 6.225 1.00 0.00 C ATOM 389 CE2 TYR A 47 10.789 -11.533 4.257 1.00 0.00 C ATOM 390 CZ TYR A 47 11.426 -11.331 5.464 1.00 0.00 C ATOM 391 OH TYR A 47 12.359 -12.242 5.909 1.00 0.00 O ATOM 0 H TYR A 47 6.115 -9.832 3.530 1.00 0.00 H new ATOM 0 HA TYR A 47 7.335 -8.498 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.395 -8.608 3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.956 -7.468 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.990 -8.432 6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.360 -10.773 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.638 -10.066 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.016 -12.405 3.662 1.00 0.00 H new ATOM 0 HH TYR A 47 12.444 -12.968 5.257 1.00 0.00 H new ATOM 401 N ILE A 48 6.565 -6.219 4.933 1.00 0.00 N ATOM 402 CA ILE A 48 5.870 -5.017 4.530 1.00 0.00 C ATOM 403 C ILE A 48 6.535 -4.426 3.296 1.00 0.00 C ATOM 404 O ILE A 48 7.396 -3.563 3.395 1.00 0.00 O ATOM 405 CB ILE A 48 5.809 -3.964 5.666 1.00 0.00 C ATOM 406 CG1 ILE A 48 6.942 -4.155 6.688 1.00 0.00 C ATOM 407 CG2 ILE A 48 4.460 -4.024 6.363 1.00 0.00 C ATOM 408 CD1 ILE A 48 8.331 -3.919 6.137 1.00 0.00 C ATOM 0 H ILE A 48 7.230 -6.093 5.696 1.00 0.00 H new ATOM 0 HA ILE A 48 4.842 -5.294 4.296 1.00 0.00 H new ATOM 0 HB ILE A 48 5.939 -2.982 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.777 -3.477 7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.890 -5.169 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.428 -3.280 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.669 -3.818 5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.314 -5.017 6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.067 -4.076 6.926 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.521 -4.615 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.407 -2.896 5.768 1.00 0.00 H new ATOM 420 N THR A 49 6.127 -4.898 2.135 1.00 0.00 N ATOM 421 CA THR A 49 6.718 -4.463 0.888 1.00 0.00 C ATOM 422 C THR A 49 5.707 -4.577 -0.247 1.00 0.00 C ATOM 423 O THR A 49 4.779 -5.385 -0.187 1.00 0.00 O ATOM 424 CB THR A 49 8.003 -5.262 0.559 1.00 0.00 C ATOM 425 OG1 THR A 49 8.587 -4.797 -0.663 1.00 0.00 O ATOM 426 CG2 THR A 49 7.722 -6.747 0.446 1.00 0.00 C ATOM 0 H THR A 49 5.383 -5.588 2.031 1.00 0.00 H new ATOM 0 HA THR A 49 7.002 -3.417 1.000 1.00 0.00 H new ATOM 0 HB THR A 49 8.701 -5.102 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.057 -5.536 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.647 -7.276 0.214 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.321 -7.114 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.996 -6.921 -0.348 1.00 0.00 H new ATOM 434 N TYR A 50 5.889 -3.744 -1.269 1.00 0.00 N ATOM 435 CA TYR A 50 4.968 -3.681 -2.399 1.00 0.00 C ATOM 436 C TYR A 50 4.909 -5.015 -3.129 1.00 0.00 C ATOM 437 O TYR A 50 3.878 -5.382 -3.693 1.00 0.00 O ATOM 438 CB TYR A 50 5.382 -2.562 -3.358 1.00 0.00 C ATOM 439 CG TYR A 50 4.317 -2.206 -4.372 1.00 0.00 C ATOM 440 CD1 TYR A 50 3.130 -1.603 -3.971 1.00 0.00 C ATOM 441 CD2 TYR A 50 4.497 -2.465 -5.725 1.00 0.00 C ATOM 442 CE1 TYR A 50 2.153 -1.271 -4.890 1.00 0.00 C ATOM 443 CE2 TYR A 50 3.525 -2.135 -6.650 1.00 0.00 C ATOM 444 CZ TYR A 50 2.356 -1.538 -6.226 1.00 0.00 C ATOM 445 OH TYR A 50 1.384 -1.206 -7.143 1.00 0.00 O ATOM 0 H TYR A 50 6.675 -3.097 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 50 3.971 -3.463 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.632 -1.673 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.287 -2.864 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.969 -1.391 -2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.412 -2.932 -6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.235 -0.805 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.680 -2.343 -7.698 1.00 0.00 H new ATOM 0 HH TYR A 50 1.682 -1.459 -8.042 1.00 0.00 H new ATOM 455 N GLU A 51 6.016 -5.741 -3.101 1.00 0.00 N ATOM 456 CA GLU A 51 6.087 -7.059 -3.706 1.00 0.00 C ATOM 457 C GLU A 51 5.207 -8.038 -2.945 1.00 0.00 C ATOM 458 O GLU A 51 4.560 -8.901 -3.537 1.00 0.00 O ATOM 459 CB GLU A 51 7.534 -7.534 -3.728 1.00 0.00 C ATOM 460 CG GLU A 51 8.411 -6.679 -4.618 1.00 0.00 C ATOM 461 CD GLU A 51 8.114 -6.899 -6.087 1.00 0.00 C ATOM 462 OE1 GLU A 51 8.601 -7.905 -6.647 1.00 0.00 O ATOM 463 OE2 GLU A 51 7.390 -6.079 -6.681 1.00 0.00 O ATOM 0 H GLU A 51 6.884 -5.435 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 51 5.721 -7.005 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.932 -7.524 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.569 -8.567 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.262 -5.628 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.459 -6.907 -4.422 1.00 0.00 H new ATOM 470 N ASP A 52 5.184 -7.900 -1.631 1.00 0.00 N ATOM 471 CA ASP A 52 4.321 -8.720 -0.794 1.00 0.00 C ATOM 472 C ASP A 52 2.858 -8.316 -0.949 1.00 0.00 C ATOM 473 O ASP A 52 1.961 -9.143 -0.827 1.00 0.00 O ATOM 474 CB ASP A 52 4.754 -8.673 0.671 1.00 0.00 C ATOM 475 CG ASP A 52 5.858 -9.674 0.979 1.00 0.00 C ATOM 476 OD1 ASP A 52 6.854 -9.725 0.226 1.00 0.00 O ATOM 477 OD2 ASP A 52 5.730 -10.423 1.966 1.00 0.00 O ATOM 0 H ASP A 52 5.754 -7.227 -1.118 1.00 0.00 H new ATOM 0 HA ASP A 52 4.420 -9.751 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.100 -7.668 0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.894 -8.877 1.309 1.00 0.00 H new ATOM 482 N ILE A 53 2.622 -7.041 -1.208 1.00 0.00 N ATOM 483 CA ILE A 53 1.283 -6.565 -1.547 1.00 0.00 C ATOM 484 C ILE A 53 0.793 -7.245 -2.817 1.00 0.00 C ATOM 485 O ILE A 53 -0.320 -7.767 -2.876 1.00 0.00 O ATOM 486 CB ILE A 53 1.294 -5.058 -1.816 1.00 0.00 C ATOM 487 CG1 ILE A 53 1.786 -4.271 -0.595 1.00 0.00 C ATOM 488 CG2 ILE A 53 -0.084 -4.568 -2.250 1.00 0.00 C ATOM 489 CD1 ILE A 53 0.921 -4.439 0.637 1.00 0.00 C ATOM 0 H ILE A 53 3.337 -6.314 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 53 0.631 -6.794 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 53 1.994 -4.880 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.802 -4.586 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.832 -3.213 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.047 -3.494 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.382 -5.083 -3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.809 -4.776 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.336 -3.851 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.091 -4.096 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.895 -5.491 0.922 1.00 0.00 H new ATOM 501 N ASP A 54 1.644 -7.219 -3.834 1.00 0.00 N ATOM 502 CA ASP A 54 1.365 -7.872 -5.107 1.00 0.00 C ATOM 503 C ASP A 54 1.090 -9.351 -4.893 1.00 0.00 C ATOM 504 O ASP A 54 0.203 -9.938 -5.514 1.00 0.00 O ATOM 505 CB ASP A 54 2.561 -7.699 -6.045 1.00 0.00 C ATOM 506 CG ASP A 54 2.474 -8.564 -7.287 1.00 0.00 C ATOM 507 OD1 ASP A 54 2.950 -9.720 -7.249 1.00 0.00 O ATOM 508 OD2 ASP A 54 1.961 -8.083 -8.316 1.00 0.00 O ATOM 0 H ASP A 54 2.547 -6.745 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 54 0.483 -7.413 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.633 -6.653 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.476 -7.941 -5.505 1.00 0.00 H new ATOM 513 N LYS A 55 1.846 -9.937 -3.984 1.00 0.00 N ATOM 514 CA LYS A 55 1.730 -11.366 -3.709 1.00 0.00 C ATOM 515 C LYS A 55 0.471 -11.639 -2.881 1.00 0.00 C ATOM 516 O LYS A 55 0.016 -12.777 -2.770 1.00 0.00 O ATOM 517 CB LYS A 55 2.992 -11.894 -3.006 1.00 0.00 C ATOM 518 CG LYS A 55 2.907 -11.926 -1.490 1.00 0.00 C ATOM 519 CD LYS A 55 4.283 -11.918 -0.840 1.00 0.00 C ATOM 520 CE LYS A 55 5.114 -13.139 -1.194 1.00 0.00 C ATOM 521 NZ LYS A 55 6.463 -13.075 -0.567 1.00 0.00 N ATOM 0 H LYS A 55 2.546 -9.452 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 55 1.639 -11.900 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.197 -12.902 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.840 -11.273 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.336 -11.065 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.363 -12.817 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.818 -11.020 -1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.167 -11.866 0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.599 -14.041 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.217 -13.210 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.007 -13.922 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.962 -12.227 -0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.363 -13.031 0.467 1.00 0.00 H new ATOM 535 N ALA A 56 -0.082 -10.578 -2.298 1.00 0.00 N ATOM 536 CA ALA A 56 -1.261 -10.686 -1.457 1.00 0.00 C ATOM 537 C ALA A 56 -2.533 -10.852 -2.279 1.00 0.00 C ATOM 538 O ALA A 56 -3.557 -11.282 -1.753 1.00 0.00 O ATOM 539 CB ALA A 56 -1.373 -9.472 -0.550 1.00 0.00 C ATOM 0 H ALA A 56 0.275 -9.628 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.148 -11.581 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.261 -9.566 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.488 -9.408 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.450 -8.570 -1.157 1.00 0.00 H new ATOM 545 N PHE A 57 -2.469 -10.495 -3.560 1.00 0.00 N ATOM 546 CA PHE A 57 -3.619 -10.633 -4.451 1.00 0.00 C ATOM 547 C PHE A 57 -4.033 -12.102 -4.550 1.00 0.00 C ATOM 548 O PHE A 57 -3.180 -12.990 -4.494 1.00 0.00 O ATOM 549 CB PHE A 57 -3.296 -10.092 -5.852 1.00 0.00 C ATOM 550 CG PHE A 57 -2.861 -8.650 -5.883 1.00 0.00 C ATOM 551 CD1 PHE A 57 -3.296 -7.753 -4.920 1.00 0.00 C ATOM 552 CD2 PHE A 57 -2.021 -8.193 -6.885 1.00 0.00 C ATOM 553 CE1 PHE A 57 -2.902 -6.430 -4.957 1.00 0.00 C ATOM 554 CE2 PHE A 57 -1.622 -6.871 -6.927 1.00 0.00 C ATOM 555 CZ PHE A 57 -2.063 -5.988 -5.962 1.00 0.00 C ATOM 0 H PHE A 57 -1.635 -10.109 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.442 -10.051 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.509 -10.705 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.178 -10.205 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.951 -8.093 -4.131 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.673 -8.879 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.249 -5.741 -4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.966 -6.529 -7.714 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.753 -4.954 -5.992 1.00 0.00 H new ATOM 565 N PRO A 58 -5.342 -12.392 -4.684 1.00 0.00 N ATOM 566 CA PRO A 58 -6.409 -11.385 -4.755 1.00 0.00 C ATOM 567 C PRO A 58 -6.696 -10.738 -3.398 1.00 0.00 C ATOM 568 O PRO A 58 -6.622 -11.391 -2.358 1.00 0.00 O ATOM 569 CB PRO A 58 -7.637 -12.180 -5.236 1.00 0.00 C ATOM 570 CG PRO A 58 -7.127 -13.537 -5.599 1.00 0.00 C ATOM 571 CD PRO A 58 -5.888 -13.747 -4.781 1.00 0.00 C ATOM 0 HA PRO A 58 -6.135 -10.561 -5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.393 -12.243 -4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.105 -11.696 -6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.871 -14.304 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.906 -13.598 -6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.115 -14.165 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.192 -14.432 -5.266 1.00 0.00 H new ATOM 579 N PRO A 59 -7.030 -9.439 -3.399 1.00 0.00 N ATOM 580 CA PRO A 59 -7.259 -8.651 -2.214 1.00 0.00 C ATOM 581 C PRO A 59 -8.747 -8.412 -1.995 1.00 0.00 C ATOM 582 O PRO A 59 -9.588 -9.149 -2.510 1.00 0.00 O ATOM 583 CB PRO A 59 -6.553 -7.342 -2.593 1.00 0.00 C ATOM 584 CG PRO A 59 -6.521 -7.333 -4.100 1.00 0.00 C ATOM 585 CD PRO A 59 -7.224 -8.587 -4.554 1.00 0.00 C ATOM 0 HA PRO A 59 -6.902 -9.112 -1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.092 -6.477 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.546 -7.303 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.019 -6.446 -4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.494 -7.311 -4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.279 -8.415 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.780 -9.006 -5.457 1.00 0.00 H new ATOM 593 N ASP A 60 -9.069 -7.367 -1.256 1.00 0.00 N ATOM 594 CA ASP A 60 -10.451 -7.081 -0.919 1.00 0.00 C ATOM 595 C ASP A 60 -11.058 -6.040 -1.851 1.00 0.00 C ATOM 596 O ASP A 60 -12.140 -5.523 -1.571 1.00 0.00 O ATOM 597 CB ASP A 60 -10.568 -6.563 0.515 1.00 0.00 C ATOM 598 CG ASP A 60 -9.818 -7.395 1.530 1.00 0.00 C ATOM 599 OD1 ASP A 60 -10.390 -8.371 2.053 1.00 0.00 O ATOM 600 OD2 ASP A 60 -8.657 -7.050 1.835 1.00 0.00 O ATOM 0 H ASP A 60 -8.393 -6.703 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.994 -8.020 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.196 -5.539 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.621 -6.530 0.794 1.00 0.00 H new ATOM 605 N PHE A 61 -10.373 -5.713 -2.940 1.00 0.00 N ATOM 606 CA PHE A 61 -10.803 -4.603 -3.786 1.00 0.00 C ATOM 607 C PHE A 61 -12.169 -4.850 -4.411 1.00 0.00 C ATOM 608 O PHE A 61 -12.358 -5.791 -5.187 1.00 0.00 O ATOM 609 CB PHE A 61 -9.791 -4.333 -4.900 1.00 0.00 C ATOM 610 CG PHE A 61 -8.487 -3.782 -4.412 1.00 0.00 C ATOM 611 CD1 PHE A 61 -8.460 -2.734 -3.507 1.00 0.00 C ATOM 612 CD2 PHE A 61 -7.291 -4.303 -4.867 1.00 0.00 C ATOM 613 CE1 PHE A 61 -7.260 -2.227 -3.059 1.00 0.00 C ATOM 614 CE2 PHE A 61 -6.087 -3.799 -4.423 1.00 0.00 C ATOM 615 CZ PHE A 61 -6.072 -2.759 -3.520 1.00 0.00 C ATOM 0 H PHE A 61 -9.530 -6.191 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.872 -3.733 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.603 -5.261 -5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -10.227 -3.632 -5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -9.387 -2.311 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.299 -5.115 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.248 -1.414 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.159 -4.218 -4.782 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.131 -2.359 -3.172 1.00 0.00 H new ATOM 625 N GLU A 62 -13.114 -3.993 -4.062 1.00 0.00 N ATOM 626 CA GLU A 62 -14.397 -3.931 -4.741 1.00 0.00 C ATOM 627 C GLU A 62 -14.262 -3.111 -6.019 1.00 0.00 C ATOM 628 O GLU A 62 -15.063 -3.226 -6.945 1.00 0.00 O ATOM 629 CB GLU A 62 -15.435 -3.326 -3.814 1.00 0.00 C ATOM 630 CG GLU A 62 -15.606 -4.142 -2.551 1.00 0.00 C ATOM 631 CD GLU A 62 -15.359 -3.337 -1.293 1.00 0.00 C ATOM 632 OE1 GLU A 62 -14.185 -3.006 -1.019 1.00 0.00 O ATOM 633 OE2 GLU A 62 -16.334 -3.045 -0.569 1.00 0.00 O ATOM 0 H GLU A 62 -13.013 -3.321 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.720 -4.936 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.140 -2.310 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.390 -3.257 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.616 -4.551 -2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.920 -4.989 -2.575 1.00 0.00 H new ATOM 640 N GLY A 63 -13.232 -2.273 -6.038 1.00 0.00 N ATOM 641 CA GLY A 63 -12.926 -1.451 -7.180 1.00 0.00 C ATOM 642 C GLY A 63 -11.534 -0.896 -7.030 1.00 0.00 C ATOM 643 O GLY A 63 -11.204 -0.329 -5.989 1.00 0.00 O ATOM 0 H GLY A 63 -12.590 -2.152 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.000 -2.037 -8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.648 -0.638 -7.262 1.00 0.00 H new ATOM 647 N PHE A 64 -10.701 -1.088 -8.031 1.00 0.00 N ATOM 648 CA PHE A 64 -9.325 -0.642 -7.951 1.00 0.00 C ATOM 649 C PHE A 64 -9.132 0.634 -8.764 1.00 0.00 C ATOM 650 O PHE A 64 -9.766 0.817 -9.805 1.00 0.00 O ATOM 651 CB PHE A 64 -8.374 -1.742 -8.439 1.00 0.00 C ATOM 652 CG PHE A 64 -6.918 -1.376 -8.336 1.00 0.00 C ATOM 653 CD1 PHE A 64 -6.228 -1.555 -7.150 1.00 0.00 C ATOM 654 CD2 PHE A 64 -6.244 -0.841 -9.424 1.00 0.00 C ATOM 655 CE1 PHE A 64 -4.893 -1.210 -7.048 1.00 0.00 C ATOM 656 CE2 PHE A 64 -4.911 -0.494 -9.326 1.00 0.00 C ATOM 657 CZ PHE A 64 -4.235 -0.677 -8.138 1.00 0.00 C ATOM 0 H PHE A 64 -10.951 -1.548 -8.907 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.091 -0.425 -6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.553 -2.648 -7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.607 -1.977 -9.478 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.739 -1.969 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.767 -0.694 -10.357 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.366 -1.357 -6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.397 -0.079 -10.181 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.193 -0.404 -8.061 1.00 0.00 H new ATOM 667 N ASP A 65 -8.273 1.523 -8.282 1.00 0.00 N ATOM 668 CA ASP A 65 -8.015 2.773 -8.980 1.00 0.00 C ATOM 669 C ASP A 65 -6.603 3.273 -8.699 1.00 0.00 C ATOM 670 O ASP A 65 -6.002 2.928 -7.681 1.00 0.00 O ATOM 671 CB ASP A 65 -9.031 3.835 -8.558 1.00 0.00 C ATOM 672 CG ASP A 65 -9.060 5.012 -9.512 1.00 0.00 C ATOM 673 OD1 ASP A 65 -8.264 5.956 -9.332 1.00 0.00 O ATOM 674 OD2 ASP A 65 -9.867 4.987 -10.459 1.00 0.00 O ATOM 0 H ASP A 65 -7.747 1.402 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.111 2.587 -10.050 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.023 3.386 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.789 4.188 -7.555 1.00 0.00 H new ATOM 679 N THR A 66 -6.092 4.089 -9.619 1.00 0.00 N ATOM 680 CA THR A 66 -4.781 4.715 -9.499 1.00 0.00 C ATOM 681 C THR A 66 -4.749 5.649 -8.292 1.00 0.00 C ATOM 682 O THR A 66 -3.692 5.918 -7.719 1.00 0.00 O ATOM 683 CB THR A 66 -4.439 5.516 -10.771 1.00 0.00 C ATOM 684 OG1 THR A 66 -4.956 4.838 -11.926 1.00 0.00 O ATOM 685 CG2 THR A 66 -2.932 5.692 -10.921 1.00 0.00 C ATOM 0 H THR A 66 -6.584 4.336 -10.478 1.00 0.00 H new ATOM 0 HA THR A 66 -4.042 3.925 -9.368 1.00 0.00 H new ATOM 0 HB THR A 66 -4.896 6.502 -10.684 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.855 5.172 -12.126 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.720 6.260 -11.827 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.540 6.228 -10.056 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.456 4.714 -10.987 1.00 0.00 H new ATOM 693 N ASN A 67 -5.933 6.119 -7.911 1.00 0.00 N ATOM 694 CA ASN A 67 -6.102 7.018 -6.777 1.00 0.00 C ATOM 695 C ASN A 67 -5.540 6.380 -5.511 1.00 0.00 C ATOM 696 O ASN A 67 -4.892 7.039 -4.705 1.00 0.00 O ATOM 697 CB ASN A 67 -7.604 7.300 -6.610 1.00 0.00 C ATOM 698 CG ASN A 67 -7.950 8.114 -5.383 1.00 0.00 C ATOM 699 OD1 ASN A 67 -7.181 8.954 -4.939 1.00 0.00 O ATOM 700 ND2 ASN A 67 -9.128 7.866 -4.829 1.00 0.00 N ATOM 0 H ASN A 67 -6.806 5.885 -8.384 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.564 7.949 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.964 7.826 -7.494 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.138 6.351 -6.565 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.422 8.385 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.741 7.156 -5.230 1.00 0.00 H new ATOM 707 N LEU A 68 -5.752 5.078 -5.384 1.00 0.00 N ATOM 708 CA LEU A 68 -5.241 4.304 -4.266 1.00 0.00 C ATOM 709 C LEU A 68 -3.728 4.414 -4.160 1.00 0.00 C ATOM 710 O LEU A 68 -3.193 4.532 -3.067 1.00 0.00 O ATOM 711 CB LEU A 68 -5.634 2.833 -4.431 1.00 0.00 C ATOM 712 CG LEU A 68 -4.970 1.865 -3.452 1.00 0.00 C ATOM 713 CD1 LEU A 68 -5.528 2.050 -2.054 1.00 0.00 C ATOM 714 CD2 LEU A 68 -5.150 0.437 -3.920 1.00 0.00 C ATOM 0 H LEU A 68 -6.286 4.528 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.678 4.706 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.715 2.749 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.390 2.521 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.903 2.083 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.042 1.351 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.342 3.071 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.601 1.861 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.672 -0.241 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.213 0.206 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.695 0.316 -4.903 1.00 0.00 H new ATOM 726 N ILE A 69 -3.048 4.399 -5.297 1.00 0.00 N ATOM 727 CA ILE A 69 -1.592 4.445 -5.312 1.00 0.00 C ATOM 728 C ILE A 69 -1.100 5.749 -4.692 1.00 0.00 C ATOM 729 O ILE A 69 -0.149 5.763 -3.902 1.00 0.00 O ATOM 730 CB ILE A 69 -1.051 4.304 -6.750 1.00 0.00 C ATOM 731 CG1 ILE A 69 -1.552 3.002 -7.384 1.00 0.00 C ATOM 732 CG2 ILE A 69 0.471 4.358 -6.767 1.00 0.00 C ATOM 733 CD1 ILE A 69 -1.198 1.758 -6.592 1.00 0.00 C ATOM 0 H ILE A 69 -3.480 4.355 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.219 3.608 -4.722 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.424 5.142 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.635 3.056 -7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.135 2.913 -8.387 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.827 4.256 -7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.806 5.312 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.871 3.544 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.587 0.878 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.114 1.678 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.638 1.823 -5.597 1.00 0.00 H new ATOM 745 N GLU A 70 -1.781 6.838 -5.029 1.00 0.00 N ATOM 746 CA GLU A 70 -1.462 8.142 -4.476 1.00 0.00 C ATOM 747 C GLU A 70 -1.804 8.152 -3.001 1.00 0.00 C ATOM 748 O GLU A 70 -1.048 8.652 -2.164 1.00 0.00 O ATOM 749 CB GLU A 70 -2.268 9.236 -5.174 1.00 0.00 C ATOM 750 CG GLU A 70 -2.430 9.021 -6.665 1.00 0.00 C ATOM 751 CD GLU A 70 -3.211 10.141 -7.321 1.00 0.00 C ATOM 752 OE1 GLU A 70 -2.617 11.215 -7.556 1.00 0.00 O ATOM 753 OE2 GLU A 70 -4.416 9.962 -7.594 1.00 0.00 O ATOM 0 H GLU A 70 -2.561 6.840 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.399 8.334 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.255 9.295 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.781 10.196 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.447 8.946 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.939 8.073 -6.841 1.00 0.00 H new ATOM 760 N ARG A 71 -2.952 7.564 -2.701 1.00 0.00 N ATOM 761 CA ARG A 71 -3.494 7.577 -1.361 1.00 0.00 C ATOM 762 C ARG A 71 -2.645 6.739 -0.405 1.00 0.00 C ATOM 763 O ARG A 71 -2.488 7.094 0.761 1.00 0.00 O ATOM 764 CB ARG A 71 -4.953 7.101 -1.378 1.00 0.00 C ATOM 765 CG ARG A 71 -5.883 8.024 -2.152 1.00 0.00 C ATOM 766 CD ARG A 71 -5.588 9.502 -1.914 1.00 0.00 C ATOM 767 NE ARG A 71 -6.232 10.333 -2.933 1.00 0.00 N ATOM 768 CZ ARG A 71 -6.127 11.659 -3.027 1.00 0.00 C ATOM 769 NH1 ARG A 71 -5.384 12.346 -2.169 1.00 0.00 N ATOM 770 NH2 ARG A 71 -6.756 12.299 -4.006 1.00 0.00 N ATOM 0 H ARG A 71 -3.528 7.067 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.470 8.602 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.997 6.104 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.311 7.015 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.796 7.809 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.914 7.814 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.941 9.793 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.511 9.669 -1.930 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.808 9.859 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.883 11.860 -1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.313 13.360 -2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.315 11.776 -4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.680 13.313 -4.084 1.00 0.00 H new ATOM 784 N ILE A 72 -2.077 5.646 -0.909 1.00 0.00 N ATOM 785 CA ILE A 72 -1.207 4.795 -0.099 1.00 0.00 C ATOM 786 C ILE A 72 0.017 5.572 0.379 1.00 0.00 C ATOM 787 O ILE A 72 0.348 5.556 1.567 1.00 0.00 O ATOM 788 CB ILE A 72 -0.742 3.531 -0.867 1.00 0.00 C ATOM 789 CG1 ILE A 72 -1.929 2.606 -1.142 1.00 0.00 C ATOM 790 CG2 ILE A 72 0.336 2.789 -0.084 1.00 0.00 C ATOM 791 CD1 ILE A 72 -1.572 1.382 -1.957 1.00 0.00 C ATOM 0 H ILE A 72 -2.202 5.329 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.797 4.474 0.759 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.318 3.848 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.357 2.286 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.702 3.168 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.648 1.906 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.194 3.445 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.062 2.485 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.464 0.775 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.172 1.692 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.822 0.797 -1.425 1.00 0.00 H new ATOM 803 N HIS A 73 0.681 6.264 -0.543 1.00 0.00 N ATOM 804 CA HIS A 73 1.869 7.038 -0.191 1.00 0.00 C ATOM 805 C HIS A 73 1.521 8.172 0.772 1.00 0.00 C ATOM 806 O HIS A 73 2.271 8.449 1.720 1.00 0.00 O ATOM 807 CB HIS A 73 2.561 7.603 -1.432 1.00 0.00 C ATOM 808 CG HIS A 73 3.295 6.581 -2.255 1.00 0.00 C ATOM 809 ND1 HIS A 73 2.995 6.313 -3.572 1.00 0.00 N ATOM 810 CD2 HIS A 73 4.343 5.781 -1.945 1.00 0.00 C ATOM 811 CE1 HIS A 73 3.828 5.398 -4.036 1.00 0.00 C ATOM 812 NE2 HIS A 73 4.657 5.057 -3.069 1.00 0.00 N ATOM 0 H HIS A 73 0.421 6.305 -1.528 1.00 0.00 H new ATOM 0 HA HIS A 73 2.559 6.355 0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.814 8.088 -2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.265 8.374 -1.120 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.841 5.723 -0.988 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.829 4.997 -5.039 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.407 4.370 -3.143 1.00 0.00 H new ATOM 821 N GLU A 74 0.377 8.818 0.546 1.00 0.00 N ATOM 822 CA GLU A 74 -0.078 9.864 1.452 1.00 0.00 C ATOM 823 C GLU A 74 -0.246 9.299 2.847 1.00 0.00 C ATOM 824 O GLU A 74 0.280 9.846 3.802 1.00 0.00 O ATOM 825 CB GLU A 74 -1.409 10.469 1.010 1.00 0.00 C ATOM 826 CG GLU A 74 -1.330 11.353 -0.219 1.00 0.00 C ATOM 827 CD GLU A 74 -2.586 12.177 -0.384 1.00 0.00 C ATOM 828 OE1 GLU A 74 -3.688 11.595 -0.343 1.00 0.00 O ATOM 829 OE2 GLU A 74 -2.485 13.416 -0.508 1.00 0.00 O ATOM 0 H GLU A 74 -0.241 8.637 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 74 0.678 10.649 1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.112 9.660 0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.818 11.053 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.467 12.014 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.178 10.736 -1.105 1.00 0.00 H new ATOM 836 N GLU A 75 -0.949 8.181 2.945 1.00 0.00 N ATOM 837 CA GLU A 75 -1.211 7.532 4.225 1.00 0.00 C ATOM 838 C GLU A 75 0.069 7.197 4.987 1.00 0.00 C ATOM 839 O GLU A 75 0.063 7.148 6.215 1.00 0.00 O ATOM 840 CB GLU A 75 -2.037 6.270 4.007 1.00 0.00 C ATOM 841 CG GLU A 75 -3.501 6.562 3.744 1.00 0.00 C ATOM 842 CD GLU A 75 -4.155 7.239 4.926 1.00 0.00 C ATOM 843 OE1 GLU A 75 -4.629 6.517 5.825 1.00 0.00 O ATOM 844 OE2 GLU A 75 -4.157 8.481 4.983 1.00 0.00 O ATOM 0 H GLU A 75 -1.354 7.698 2.143 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.770 8.240 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.626 5.713 3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.951 5.629 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.593 7.198 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.024 5.632 3.522 1.00 0.00 H new ATOM 851 N LEU A 76 1.151 6.941 4.267 1.00 0.00 N ATOM 852 CA LEU A 76 2.444 6.686 4.899 1.00 0.00 C ATOM 853 C LEU A 76 2.876 7.858 5.759 1.00 0.00 C ATOM 854 O LEU A 76 3.245 7.688 6.919 1.00 0.00 O ATOM 855 CB LEU A 76 3.512 6.443 3.836 1.00 0.00 C ATOM 856 CG LEU A 76 3.227 5.270 2.919 1.00 0.00 C ATOM 857 CD1 LEU A 76 4.276 5.164 1.824 1.00 0.00 C ATOM 858 CD2 LEU A 76 3.168 4.000 3.730 1.00 0.00 C ATOM 0 H LEU A 76 1.163 6.904 3.248 1.00 0.00 H new ATOM 0 HA LEU A 76 2.332 5.803 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.617 7.344 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.469 6.278 4.331 1.00 0.00 H new ATOM 0 HG LEU A 76 2.264 5.429 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.046 4.314 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.276 6.078 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.259 5.024 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.963 3.157 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.123 3.844 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.375 4.080 4.474 1.00 0.00 H new ATOM 870 N GLU A 77 2.824 9.042 5.183 1.00 0.00 N ATOM 871 CA GLU A 77 3.229 10.242 5.893 1.00 0.00 C ATOM 872 C GLU A 77 2.090 10.809 6.733 1.00 0.00 C ATOM 873 O GLU A 77 2.253 11.118 7.912 1.00 0.00 O ATOM 874 CB GLU A 77 3.725 11.278 4.883 1.00 0.00 C ATOM 875 CG GLU A 77 3.732 12.696 5.412 1.00 0.00 C ATOM 876 CD GLU A 77 4.141 13.702 4.360 1.00 0.00 C ATOM 877 OE1 GLU A 77 3.318 14.004 3.476 1.00 0.00 O ATOM 878 OE2 GLU A 77 5.287 14.197 4.408 1.00 0.00 O ATOM 0 H GLU A 77 2.506 9.201 4.227 1.00 0.00 H new ATOM 0 HA GLU A 77 4.035 9.986 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.735 11.012 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.095 11.235 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.739 12.947 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.415 12.762 6.259 1.00 0.00 H new ATOM 885 N LYS A 78 0.940 10.918 6.101 1.00 0.00 N ATOM 886 CA LYS A 78 -0.227 11.554 6.680 1.00 0.00 C ATOM 887 C LYS A 78 -0.808 10.726 7.817 1.00 0.00 C ATOM 888 O LYS A 78 -1.139 11.262 8.873 1.00 0.00 O ATOM 889 CB LYS A 78 -1.263 11.738 5.568 1.00 0.00 C ATOM 890 CG LYS A 78 -2.635 12.206 6.021 1.00 0.00 C ATOM 891 CD LYS A 78 -3.627 12.154 4.867 1.00 0.00 C ATOM 892 CE LYS A 78 -3.190 13.043 3.711 1.00 0.00 C ATOM 893 NZ LYS A 78 -4.139 12.977 2.567 1.00 0.00 N ATOM 0 H LYS A 78 0.787 10.563 5.157 1.00 0.00 H new ATOM 0 HA LYS A 78 0.056 12.518 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.873 12.457 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.377 10.790 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.988 11.578 6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.569 13.224 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.727 11.126 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.610 12.469 5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.110 14.074 4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.198 12.741 3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.060 13.845 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.911 12.154 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.111 12.886 2.927 1.00 0.00 H new ATOM 907 N HIS A 79 -0.936 9.420 7.615 1.00 0.00 N ATOM 908 CA HIS A 79 -1.508 8.577 8.647 1.00 0.00 C ATOM 909 C HIS A 79 -0.438 7.864 9.456 1.00 0.00 C ATOM 910 O HIS A 79 -0.616 7.601 10.647 1.00 0.00 O ATOM 911 CB HIS A 79 -2.497 7.583 8.061 1.00 0.00 C ATOM 912 CG HIS A 79 -3.898 7.799 8.552 1.00 0.00 C ATOM 913 ND1 HIS A 79 -4.415 7.174 9.668 1.00 0.00 N ATOM 914 CD2 HIS A 79 -4.892 8.584 8.073 1.00 0.00 C ATOM 915 CE1 HIS A 79 -5.663 7.566 9.850 1.00 0.00 C ATOM 916 NE2 HIS A 79 -5.976 8.420 8.897 1.00 0.00 N ATOM 0 H HIS A 79 -0.657 8.933 6.763 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.049 9.232 9.329 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.482 7.660 6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.180 6.571 8.313 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.841 9.222 7.203 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.317 7.241 10.646 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.878 8.884 8.789 1.00 0.00 H new ATOM 925 N GLY A 80 0.679 7.551 8.809 1.00 0.00 N ATOM 926 CA GLY A 80 1.710 6.793 9.471 1.00 0.00 C ATOM 927 C GLY A 80 1.649 5.303 9.168 1.00 0.00 C ATOM 928 O GLY A 80 2.161 4.503 9.953 1.00 0.00 O ATOM 0 H GLY A 80 0.883 7.809 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.684 7.178 9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.626 6.942 10.548 1.00 0.00 H new ATOM 932 N ILE A 81 1.021 4.902 8.054 1.00 0.00 N ATOM 933 CA ILE A 81 0.960 3.498 7.710 1.00 0.00 C ATOM 934 C ILE A 81 2.338 3.068 7.219 1.00 0.00 C ATOM 935 O ILE A 81 3.068 3.875 6.644 1.00 0.00 O ATOM 936 CB ILE A 81 -0.123 3.230 6.635 1.00 0.00 C ATOM 937 CG1 ILE A 81 -0.384 1.732 6.496 1.00 0.00 C ATOM 938 CG2 ILE A 81 0.275 3.821 5.297 1.00 0.00 C ATOM 939 CD1 ILE A 81 -1.340 1.383 5.374 1.00 0.00 C ATOM 0 H ILE A 81 0.559 5.527 7.394 1.00 0.00 H new ATOM 0 HA ILE A 81 0.681 2.916 8.589 1.00 0.00 H new ATOM 0 HB ILE A 81 -1.043 3.716 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.564 1.221 6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.786 1.353 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.504 3.617 4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.404 4.898 5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.212 3.373 4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.477 0.302 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.301 1.865 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.930 1.730 4.426 1.00 0.00 H new ATOM 951 N ASN A 82 2.736 1.840 7.500 1.00 0.00 N ATOM 952 CA ASN A 82 4.087 1.416 7.164 1.00 0.00 C ATOM 953 C ASN A 82 4.105 0.291 6.149 1.00 0.00 C ATOM 954 O ASN A 82 3.422 -0.721 6.302 1.00 0.00 O ATOM 955 CB ASN A 82 4.863 1.025 8.421 1.00 0.00 C ATOM 956 CG ASN A 82 5.236 2.239 9.251 1.00 0.00 C ATOM 957 OD1 ASN A 82 5.380 2.158 10.472 1.00 0.00 O ATOM 958 ND2 ASN A 82 5.404 3.376 8.587 1.00 0.00 N ATOM 0 H ASN A 82 2.158 1.130 7.951 1.00 0.00 H new ATOM 0 HA ASN A 82 4.581 2.270 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 82 4.261 0.344 9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 82 5.767 0.486 8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.662 4.226 9.088 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.275 3.400 7.575 1.00 0.00 H new ATOM 965 N ILE A 83 4.914 0.489 5.118 1.00 0.00 N ATOM 966 CA ILE A 83 5.063 -0.456 4.030 1.00 0.00 C ATOM 967 C ILE A 83 6.266 -0.036 3.195 1.00 0.00 C ATOM 968 O ILE A 83 6.445 1.147 2.898 1.00 0.00 O ATOM 969 CB ILE A 83 3.795 -0.523 3.135 1.00 0.00 C ATOM 970 CG1 ILE A 83 3.922 -1.615 2.074 1.00 0.00 C ATOM 971 CG2 ILE A 83 3.501 0.819 2.478 1.00 0.00 C ATOM 972 CD1 ILE A 83 3.589 -2.992 2.598 1.00 0.00 C ATOM 0 H ILE A 83 5.492 1.323 5.016 1.00 0.00 H new ATOM 0 HA ILE A 83 5.209 -1.451 4.450 1.00 0.00 H new ATOM 0 HB ILE A 83 2.958 -0.772 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.261 -1.381 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.940 -1.618 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.607 0.733 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.339 1.573 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.346 1.112 1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 83 3.698 -3.723 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.266 -3.244 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.562 -3.004 2.962 1.00 0.00 H new ATOM 984 N VAL A 84 7.113 -0.982 2.860 1.00 0.00 N ATOM 985 CA VAL A 84 8.270 -0.691 2.050 1.00 0.00 C ATOM 986 C VAL A 84 7.918 -0.902 0.582 1.00 0.00 C ATOM 987 O VAL A 84 7.049 -1.701 0.250 1.00 0.00 O ATOM 988 CB VAL A 84 9.474 -1.569 2.491 1.00 0.00 C ATOM 989 CG1 VAL A 84 9.899 -2.559 1.416 1.00 0.00 C ATOM 990 CG2 VAL A 84 10.640 -0.689 2.907 1.00 0.00 C ATOM 0 H VAL A 84 7.021 -1.959 3.137 1.00 0.00 H new ATOM 0 HA VAL A 84 8.567 0.349 2.185 1.00 0.00 H new ATOM 0 HB VAL A 84 9.149 -2.160 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.743 -3.147 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.067 -3.224 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.192 -2.017 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 84 11.477 -1.316 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.943 -0.065 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.338 -0.054 3.740 1.00 0.00 H new ATOM 1000 N GLU A 85 8.568 -0.160 -0.291 1.00 0.00 N ATOM 1001 CA GLU A 85 8.268 -0.213 -1.712 1.00 0.00 C ATOM 1002 C GLU A 85 9.221 -1.152 -2.420 1.00 0.00 C ATOM 1003 O GLU A 85 8.925 -1.653 -3.505 1.00 0.00 O ATOM 1004 CB GLU A 85 8.333 1.188 -2.310 1.00 0.00 C ATOM 1005 CG GLU A 85 7.349 2.132 -1.658 1.00 0.00 C ATOM 1006 CD GLU A 85 7.505 3.565 -2.107 1.00 0.00 C ATOM 1007 OE1 GLU A 85 7.084 3.890 -3.234 1.00 0.00 O ATOM 1008 OE2 GLU A 85 8.039 4.376 -1.318 1.00 0.00 O ATOM 0 H GLU A 85 9.312 0.491 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 85 7.257 -0.598 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.343 1.583 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.129 1.135 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.335 1.798 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.472 2.083 -0.576 1.00 0.00 H new ATOM 1015 N ASN A 86 10.377 -1.349 -1.789 1.00 0.00 N ATOM 1016 CA ASN A 86 11.448 -2.192 -2.316 1.00 0.00 C ATOM 1017 C ASN A 86 12.180 -1.449 -3.429 1.00 0.00 C ATOM 1018 O ASN A 86 13.071 -1.989 -4.081 1.00 0.00 O ATOM 1019 CB ASN A 86 10.914 -3.545 -2.821 1.00 0.00 C ATOM 1020 CG ASN A 86 12.009 -4.590 -2.940 1.00 0.00 C ATOM 1021 OD1 ASN A 86 12.956 -4.607 -2.152 1.00 0.00 O ATOM 1022 ND2 ASN A 86 11.892 -5.463 -3.924 1.00 0.00 N ATOM 0 H ASN A 86 10.598 -0.924 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 86 12.145 -2.407 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.143 -3.906 -2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.441 -3.406 -3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.601 -6.185 -4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.092 -5.415 -4.556 1.00 0.00 H new ATOM 1029 N GLU A 87 11.799 -0.190 -3.628 1.00 0.00 N ATOM 1030 CA GLU A 87 12.416 0.648 -4.643 1.00 0.00 C ATOM 1031 C GLU A 87 13.382 1.641 -4.003 1.00 0.00 C ATOM 1032 O GLU A 87 13.027 2.336 -3.050 1.00 0.00 O ATOM 1033 CB GLU A 87 11.339 1.409 -5.423 1.00 0.00 C ATOM 1034 CG GLU A 87 11.898 2.371 -6.459 1.00 0.00 C ATOM 1035 CD GLU A 87 10.824 3.208 -7.120 1.00 0.00 C ATOM 1036 OE1 GLU A 87 10.377 4.198 -6.506 1.00 0.00 O ATOM 1037 OE2 GLU A 87 10.432 2.887 -8.260 1.00 0.00 O ATOM 0 H GLU A 87 11.062 0.271 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 87 12.972 0.006 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.688 0.690 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.720 1.966 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.624 3.030 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.433 1.806 -7.222 1.00 0.00 H new ATOM 1044 N PRO A 88 14.624 1.704 -4.502 1.00 0.00 N ATOM 1045 CA PRO A 88 15.593 2.697 -4.068 1.00 0.00 C ATOM 1046 C PRO A 88 15.491 3.988 -4.881 1.00 0.00 C ATOM 1047 O PRO A 88 15.207 3.962 -6.081 1.00 0.00 O ATOM 1048 CB PRO A 88 16.927 1.998 -4.320 1.00 0.00 C ATOM 1049 CG PRO A 88 16.677 1.086 -5.478 1.00 0.00 C ATOM 1050 CD PRO A 88 15.193 0.787 -5.506 1.00 0.00 C ATOM 0 HA PRO A 88 15.447 3.005 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 88 17.712 2.718 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 88 17.252 1.440 -3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 88 16.992 1.554 -6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 88 17.252 0.166 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.769 0.965 -6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 88 14.991 -0.254 -5.255 1.00 0.00 H new ATOM 1058 N GLU A 89 15.715 5.114 -4.222 1.00 0.00 N ATOM 1059 CA GLU A 89 15.674 6.412 -4.886 1.00 0.00 C ATOM 1060 C GLU A 89 17.089 6.931 -5.106 1.00 0.00 C ATOM 1061 O GLU A 89 17.302 7.933 -5.791 1.00 0.00 O ATOM 1062 CB GLU A 89 14.881 7.418 -4.049 1.00 0.00 C ATOM 1063 CG GLU A 89 15.466 7.637 -2.667 1.00 0.00 C ATOM 1064 CD GLU A 89 14.857 8.821 -1.953 1.00 0.00 C ATOM 1065 OE1 GLU A 89 15.252 9.965 -2.262 1.00 0.00 O ATOM 1066 OE2 GLU A 89 13.996 8.615 -1.078 1.00 0.00 O ATOM 0 H GLU A 89 15.928 5.157 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 89 15.181 6.290 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.845 8.371 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.853 7.069 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.314 6.740 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.543 7.785 -2.753 1.00 0.00 H new ATOM 1073 N GLU A 90 18.049 6.245 -4.504 1.00 0.00 N ATOM 1074 CA GLU A 90 19.448 6.628 -4.602 1.00 0.00 C ATOM 1075 C GLU A 90 20.091 6.056 -5.865 1.00 0.00 C ATOM 1076 O GLU A 90 20.483 6.800 -6.768 1.00 0.00 O ATOM 1077 CB GLU A 90 20.201 6.170 -3.347 1.00 0.00 C ATOM 1078 CG GLU A 90 19.908 4.731 -2.940 1.00 0.00 C ATOM 1079 CD GLU A 90 20.635 4.316 -1.682 1.00 0.00 C ATOM 1080 OE1 GLU A 90 21.790 3.855 -1.787 1.00 0.00 O ATOM 1081 OE2 GLU A 90 20.055 4.450 -0.583 1.00 0.00 O ATOM 0 H GLU A 90 17.881 5.413 -3.938 1.00 0.00 H new ATOM 0 HA GLU A 90 19.507 7.714 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 90 21.272 6.277 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 90 19.943 6.831 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.835 4.613 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.191 4.064 -3.754 1.00 0.00 H new ATOM 1088 N GLU A 91 20.171 4.734 -5.934 1.00 0.00 N ATOM 1089 CA GLU A 91 20.801 4.060 -7.055 1.00 0.00 C ATOM 1090 C GLU A 91 19.817 3.922 -8.214 1.00 0.00 C ATOM 1091 O GLU A 91 19.307 2.837 -8.501 1.00 0.00 O ATOM 1092 CB GLU A 91 21.329 2.696 -6.610 1.00 0.00 C ATOM 1093 CG GLU A 91 22.191 2.007 -7.651 1.00 0.00 C ATOM 1094 CD GLU A 91 22.868 0.769 -7.110 1.00 0.00 C ATOM 1095 OE1 GLU A 91 22.220 -0.296 -7.064 1.00 0.00 O ATOM 1096 OE2 GLU A 91 24.054 0.859 -6.731 1.00 0.00 O ATOM 0 H GLU A 91 19.804 4.105 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 91 21.644 4.656 -7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 91 21.909 2.821 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 91 20.485 2.051 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 91 21.574 1.736 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 91 22.948 2.704 -8.011 1.00 0.00 H new ATOM 1103 N GLU A 92 19.548 5.046 -8.853 1.00 0.00 N ATOM 1104 CA GLU A 92 18.652 5.113 -9.996 1.00 0.00 C ATOM 1105 C GLU A 92 19.072 6.280 -10.883 1.00 0.00 C ATOM 1106 O GLU A 92 19.417 6.093 -12.050 1.00 0.00 O ATOM 1107 CB GLU A 92 17.201 5.266 -9.520 1.00 0.00 C ATOM 1108 CG GLU A 92 16.186 5.460 -10.637 1.00 0.00 C ATOM 1109 CD GLU A 92 16.173 4.328 -11.646 1.00 0.00 C ATOM 1110 OE1 GLU A 92 15.820 3.190 -11.275 1.00 0.00 O ATOM 1111 OE2 GLU A 92 16.509 4.579 -12.823 1.00 0.00 O ATOM 0 H GLU A 92 19.948 5.947 -8.592 1.00 0.00 H new ATOM 0 HA GLU A 92 18.712 4.192 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 92 16.925 4.381 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 92 17.143 6.117 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.192 5.559 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.401 6.395 -11.154 1.00 0.00 H new ATOM 1118 N ILE A 93 19.057 7.484 -10.318 1.00 0.00 N ATOM 1119 CA ILE A 93 19.609 8.643 -10.998 1.00 0.00 C ATOM 1120 C ILE A 93 21.136 8.584 -10.959 1.00 0.00 C ATOM 1121 O ILE A 93 21.793 8.820 -11.974 1.00 0.00 O ATOM 1122 CB ILE A 93 19.102 9.976 -10.381 1.00 0.00 C ATOM 1123 CG1 ILE A 93 19.732 11.171 -11.105 1.00 0.00 C ATOM 1124 CG2 ILE A 93 19.388 10.038 -8.884 1.00 0.00 C ATOM 1125 CD1 ILE A 93 19.265 12.516 -10.590 1.00 0.00 C ATOM 0 H ILE A 93 18.669 7.678 -9.395 1.00 0.00 H new ATOM 0 HA ILE A 93 19.269 8.618 -12.033 1.00 0.00 H new ATOM 0 HB ILE A 93 18.021 10.020 -10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 93 20.816 11.112 -11.007 1.00 0.00 H new ATOM 0 HG13 ILE A 93 19.503 11.101 -12.168 1.00 0.00 H new ATOM 0 HG21 ILE A 93 19.021 10.983 -8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 93 18.885 9.211 -8.383 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.462 9.965 -8.716 1.00 0.00 H new ATOM 0 HD11 ILE A 93 19.755 13.311 -11.152 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.185 12.598 -10.713 1.00 0.00 H new ATOM 0 HD13 ILE A 93 19.518 12.609 -9.534 1.00 0.00 H new ATOM 1137 N SER A 94 21.681 8.223 -9.793 1.00 0.00 N ATOM 1138 CA SER A 94 23.121 8.061 -9.612 1.00 0.00 C ATOM 1139 C SER A 94 23.899 9.262 -10.150 1.00 0.00 C ATOM 1140 O SER A 94 24.682 9.146 -11.097 1.00 0.00 O ATOM 1141 CB SER A 94 23.588 6.762 -10.276 1.00 0.00 C ATOM 1142 OG SER A 94 22.945 5.636 -9.691 1.00 0.00 O ATOM 0 H SER A 94 21.135 8.036 -8.952 1.00 0.00 H new ATOM 0 HA SER A 94 23.324 8.004 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.372 6.796 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.669 6.664 -10.173 1.00 0.00 H new ATOM 0 HG SER A 94 23.256 4.817 -10.130 1.00 0.00 H new ATOM 1148 N ALA A 95 23.681 10.413 -9.533 1.00 0.00 N ATOM 1149 CA ALA A 95 24.329 11.642 -9.960 1.00 0.00 C ATOM 1150 C ALA A 95 25.308 12.124 -8.898 1.00 0.00 C ATOM 1151 O ALA A 95 25.202 11.748 -7.729 1.00 0.00 O ATOM 1152 CB ALA A 95 23.288 12.711 -10.253 1.00 0.00 C ATOM 0 H ALA A 95 23.058 10.521 -8.732 1.00 0.00 H new ATOM 0 HA ALA A 95 24.887 11.443 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 95 23.786 13.626 -10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.624 12.365 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 95 22.707 12.909 -9.353 1.00 0.00 H new ATOM 1158 N GLY A 96 26.263 12.946 -9.306 1.00 0.00 N ATOM 1159 CA GLY A 96 27.243 13.465 -8.378 1.00 0.00 C ATOM 1160 C GLY A 96 27.123 14.964 -8.225 1.00 0.00 C ATOM 1161 O GLY A 96 26.349 15.414 -7.354 1.00 0.00 O ATOM 1162 OXT GLY A 96 27.785 15.701 -8.980 1.00 0.00 O ATOM 0 H GLY A 96 26.376 13.264 -10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 96 27.114 12.988 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 96 28.245 13.213 -8.726 1.00 0.00 H new TER 1166 GLY A 96