USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 957 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 94 TYR OH : rot 164:sc= 0.467 USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0.553 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.114 (180deg=-0.751) USER MOD Single : A 2 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.7!) USER MOD Single : A 13 SER OG : rot -17:sc= 1.19 USER MOD Single : A 14 SER OG : rot -137:sc= -2.02! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -120:sc= -3.86! USER MOD Single : A 31 THR OG1 : rot -176:sc= 1.7 USER MOD Single : A 32 THR OG1 : rot -74:sc= -7.13! USER MOD Single : A 35 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.0043) USER MOD Single : A 37 ASN : amide:sc= -2.9! C(o=-2.9!,f=-9.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 0.0781 (180deg=0.0117) USER MOD Single : A 47 THR OG1 : rot -152:sc= -6! USER MOD Single : A 53 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 57 MET CE :methyl -125:sc= -4.95! (180deg=-7.6!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.21! C(o=-5.2!,f=-12!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.114 (180deg=-0.114) USER MOD Single : A 71 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -20.5! C(o=-21!,f=-25!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -155:sc= -0.22 (180deg=-0.783) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-0.63) USER MOD Single : A 85 SER OG : rot 31:sc= -2.07! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.335 K(o=-0.34,f=-3.3!) USER MOD Single : A 96 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -147:sc= -0.119 (180deg=-0.494) USER MOD Single : A 120 SER OG : rot 83:sc= 0.0302 USER MOD Single : A 121 HIS : no HD1:sc= -0.0992 X(o=-0.099,f=-0.099) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.601 -16.518 -15.992 1.00 0.00 N ATOM 2 CA MET A 1 -11.256 -16.828 -15.431 1.00 0.00 C ATOM 3 C MET A 1 -10.780 -15.653 -14.577 1.00 0.00 C ATOM 4 O MET A 1 -9.805 -14.999 -14.890 1.00 0.00 O ATOM 5 CB MET A 1 -10.267 -17.064 -16.573 1.00 0.00 C ATOM 6 CG MET A 1 -10.641 -18.349 -17.313 1.00 0.00 C ATOM 7 SD MET A 1 -9.803 -18.388 -18.918 1.00 0.00 S ATOM 8 CE MET A 1 -11.146 -17.663 -19.889 1.00 0.00 C ATOM 0 H1 MET A 1 -13.117 -17.404 -16.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.133 -15.935 -15.315 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.493 -15.999 -16.887 1.00 0.00 H new ATOM 0 HA MET A 1 -11.317 -17.725 -14.815 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.280 -16.218 -17.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.253 -17.140 -16.181 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.356 -19.218 -16.721 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.721 -18.399 -17.453 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.842 -17.591 -20.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.032 -18.293 -19.812 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.374 -16.668 -19.508 1.00 0.00 H new ATOM 20 N GLN A 2 -11.461 -15.379 -13.499 1.00 0.00 N ATOM 21 CA GLN A 2 -11.047 -14.246 -12.626 1.00 0.00 C ATOM 22 C GLN A 2 -9.678 -14.550 -12.018 1.00 0.00 C ATOM 23 O GLN A 2 -9.421 -15.645 -11.557 1.00 0.00 O ATOM 24 CB GLN A 2 -12.073 -14.066 -11.507 1.00 0.00 C ATOM 25 CG GLN A 2 -12.187 -15.367 -10.712 1.00 0.00 C ATOM 26 CD GLN A 2 -13.554 -15.433 -10.029 1.00 0.00 C ATOM 27 OE1 GLN A 2 -14.424 -14.633 -10.309 1.00 0.00 O ATOM 28 NE2 GLN A 2 -13.781 -16.361 -9.139 1.00 0.00 N ATOM 0 H GLN A 2 -12.286 -15.891 -13.185 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.989 -13.331 -13.216 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.772 -13.250 -10.850 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.042 -13.797 -11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.059 -16.223 -11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -11.394 -15.420 -9.966 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.050 -17.032 -8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.689 -16.415 -8.678 1.00 0.00 H new ATOM 37 N ARG A 3 -8.798 -13.589 -12.012 1.00 0.00 N ATOM 38 CA ARG A 3 -7.445 -13.821 -11.433 1.00 0.00 C ATOM 39 C ARG A 3 -6.621 -12.540 -11.545 1.00 0.00 C ATOM 40 O ARG A 3 -5.669 -12.466 -12.296 1.00 0.00 O ATOM 41 CB ARG A 3 -6.748 -14.951 -12.197 1.00 0.00 C ATOM 42 CG ARG A 3 -5.354 -15.179 -11.609 1.00 0.00 C ATOM 43 CD ARG A 3 -4.651 -16.298 -12.379 1.00 0.00 C ATOM 44 NE ARG A 3 -5.480 -17.535 -12.326 1.00 0.00 N ATOM 45 CZ ARG A 3 -5.374 -18.347 -11.310 1.00 0.00 C ATOM 46 NH1 ARG A 3 -4.449 -19.266 -11.304 1.00 0.00 N ATOM 47 NH2 ARG A 3 -6.193 -18.239 -10.300 1.00 0.00 N ATOM 0 H ARG A 3 -8.957 -12.652 -12.383 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.539 -14.101 -10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.336 -15.866 -12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.671 -14.697 -13.254 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.769 -14.261 -11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.431 -15.442 -10.554 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.493 -15.997 -13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.668 -16.488 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.130 -17.747 -13.083 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.808 -19.350 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.366 -19.901 -10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.916 -17.520 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.110 -18.874 -9.506 1.00 0.00 H new ATOM 61 N GLY A 4 -6.977 -11.525 -10.804 1.00 0.00 N ATOM 62 CA GLY A 4 -6.206 -10.253 -10.877 1.00 0.00 C ATOM 63 C GLY A 4 -6.289 -9.510 -9.541 1.00 0.00 C ATOM 64 O GLY A 4 -7.192 -8.731 -9.310 1.00 0.00 O ATOM 0 H GLY A 4 -7.764 -11.522 -10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.165 -10.463 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.600 -9.625 -11.676 1.00 0.00 H new ATOM 68 N ILE A 5 -5.347 -9.734 -8.664 1.00 0.00 N ATOM 69 CA ILE A 5 -5.370 -9.025 -7.352 1.00 0.00 C ATOM 70 C ILE A 5 -4.532 -7.754 -7.471 1.00 0.00 C ATOM 71 O ILE A 5 -3.342 -7.756 -7.213 1.00 0.00 O ATOM 72 CB ILE A 5 -4.793 -9.923 -6.250 1.00 0.00 C ATOM 73 CG1 ILE A 5 -4.900 -11.399 -6.674 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.579 -9.694 -4.955 1.00 0.00 C ATOM 75 CD1 ILE A 5 -4.863 -12.314 -5.445 1.00 0.00 C ATOM 0 H ILE A 5 -4.565 -10.375 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.398 -8.775 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.743 -9.678 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.826 -11.559 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.080 -11.651 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.175 -10.329 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.494 -8.649 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.628 -9.941 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.940 -13.354 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.925 -12.167 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.698 -12.073 -4.787 1.00 0.00 H new ATOM 87 N VAL A 6 -5.146 -6.674 -7.884 1.00 0.00 N ATOM 88 CA VAL A 6 -4.398 -5.398 -8.055 1.00 0.00 C ATOM 89 C VAL A 6 -4.594 -4.492 -6.836 1.00 0.00 C ATOM 90 O VAL A 6 -5.694 -4.082 -6.521 1.00 0.00 O ATOM 91 CB VAL A 6 -4.927 -4.697 -9.306 1.00 0.00 C ATOM 92 CG1 VAL A 6 -6.291 -4.063 -9.010 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.942 -3.611 -9.740 1.00 0.00 C ATOM 0 H VAL A 6 -6.139 -6.624 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.333 -5.609 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.038 -5.429 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.663 -3.565 -9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.995 -4.838 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.187 -3.334 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.320 -3.112 -10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.827 -2.882 -8.938 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.975 -4.064 -9.960 1.00 0.00 H new ATOM 103 N TRP A 7 -3.534 -4.177 -6.145 1.00 0.00 N ATOM 104 CA TRP A 7 -3.659 -3.299 -4.950 1.00 0.00 C ATOM 105 C TRP A 7 -3.215 -1.881 -5.324 1.00 0.00 C ATOM 106 O TRP A 7 -2.063 -1.522 -5.188 1.00 0.00 O ATOM 107 CB TRP A 7 -2.787 -3.860 -3.825 1.00 0.00 C ATOM 108 CG TRP A 7 -3.426 -5.114 -3.321 1.00 0.00 C ATOM 109 CD1 TRP A 7 -3.944 -6.087 -4.106 1.00 0.00 C ATOM 110 CD2 TRP A 7 -3.644 -5.543 -1.945 1.00 0.00 C ATOM 111 NE1 TRP A 7 -4.465 -7.082 -3.303 1.00 0.00 N ATOM 112 CE2 TRP A 7 -4.303 -6.795 -1.966 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.335 -4.978 -0.696 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -4.649 -7.460 -0.791 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.681 -5.646 0.492 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.338 -6.885 0.442 1.00 0.00 C ATOM 0 H TRP A 7 -2.587 -4.490 -6.357 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.693 -3.265 -4.608 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.781 -4.066 -4.190 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.691 -3.132 -3.019 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -3.949 -6.085 -5.186 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.915 -7.926 -3.657 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.829 -4.025 -0.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.154 -8.414 -0.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.440 -5.204 1.447 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.603 -7.393 1.357 1.00 0.00 H new ATOM 127 N VAL A 8 -4.125 -1.083 -5.818 1.00 0.00 N ATOM 128 CA VAL A 8 -3.772 0.303 -6.235 1.00 0.00 C ATOM 129 C VAL A 8 -3.605 1.219 -5.018 1.00 0.00 C ATOM 130 O VAL A 8 -4.151 0.981 -3.955 1.00 0.00 O ATOM 131 CB VAL A 8 -4.891 0.846 -7.123 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.472 2.197 -7.705 1.00 0.00 C ATOM 133 CG2 VAL A 8 -5.160 -0.139 -8.263 1.00 0.00 C ATOM 0 H VAL A 8 -5.104 -1.335 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.827 0.278 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.796 0.972 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.270 2.584 -8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.280 2.899 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.566 2.072 -8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.958 0.247 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.254 -0.265 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.460 -1.102 -7.849 1.00 0.00 H new ATOM 143 N VAL A 9 -2.855 2.278 -5.182 1.00 0.00 N ATOM 144 CA VAL A 9 -2.639 3.234 -4.061 1.00 0.00 C ATOM 145 C VAL A 9 -3.185 4.610 -4.468 1.00 0.00 C ATOM 146 O VAL A 9 -2.680 5.247 -5.378 1.00 0.00 O ATOM 147 CB VAL A 9 -1.129 3.302 -3.745 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.649 4.754 -3.602 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.860 2.558 -2.436 1.00 0.00 C ATOM 0 H VAL A 9 -2.381 2.521 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.165 2.905 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.586 2.842 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.418 4.764 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.831 5.291 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.193 5.239 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.204 2.601 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.425 3.025 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.167 1.517 -2.539 1.00 0.00 H new ATOM 159 N ASP A 10 -4.207 5.070 -3.795 1.00 0.00 N ATOM 160 CA ASP A 10 -4.795 6.399 -4.126 1.00 0.00 C ATOM 161 C ASP A 10 -5.902 6.730 -3.122 1.00 0.00 C ATOM 162 O ASP A 10 -6.282 5.911 -2.310 1.00 0.00 O ATOM 163 CB ASP A 10 -5.392 6.359 -5.535 1.00 0.00 C ATOM 164 CG ASP A 10 -5.064 7.662 -6.267 1.00 0.00 C ATOM 165 OD1 ASP A 10 -4.750 8.632 -5.597 1.00 0.00 O ATOM 166 OD2 ASP A 10 -5.134 7.668 -7.485 1.00 0.00 O ATOM 0 H ASP A 10 -4.661 4.578 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.016 7.160 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.991 5.509 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.472 6.223 -5.480 1.00 0.00 H new ATOM 171 N ASP A 11 -6.431 7.922 -3.177 1.00 0.00 N ATOM 172 CA ASP A 11 -7.523 8.299 -2.234 1.00 0.00 C ATOM 173 C ASP A 11 -8.510 9.221 -2.952 1.00 0.00 C ATOM 174 O ASP A 11 -9.582 8.805 -3.346 1.00 0.00 O ATOM 175 CB ASP A 11 -6.931 9.022 -1.021 1.00 0.00 C ATOM 176 CG ASP A 11 -8.041 9.306 -0.008 1.00 0.00 C ATOM 177 OD1 ASP A 11 -9.165 8.900 -0.259 1.00 0.00 O ATOM 178 OD2 ASP A 11 -7.750 9.925 1.003 1.00 0.00 O ATOM 0 H ASP A 11 -6.154 8.651 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.040 7.401 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.153 8.411 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.461 9.955 -1.333 1.00 0.00 H new ATOM 183 N ASP A 12 -8.149 10.467 -3.129 1.00 0.00 N ATOM 184 CA ASP A 12 -9.050 11.434 -3.826 1.00 0.00 C ATOM 185 C ASP A 12 -10.507 11.149 -3.481 1.00 0.00 C ATOM 186 O ASP A 12 -11.343 11.002 -4.348 1.00 0.00 O ATOM 187 CB ASP A 12 -8.851 11.323 -5.338 1.00 0.00 C ATOM 188 CG ASP A 12 -9.247 12.643 -6.002 1.00 0.00 C ATOM 189 OD1 ASP A 12 -8.543 13.620 -5.802 1.00 0.00 O ATOM 190 OD2 ASP A 12 -10.249 12.656 -6.698 1.00 0.00 O ATOM 0 H ASP A 12 -7.260 10.859 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.802 12.443 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.811 11.088 -5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.455 10.508 -5.736 1.00 0.00 H new ATOM 195 N SER A 13 -10.804 11.087 -2.218 1.00 0.00 N ATOM 196 CA SER A 13 -12.204 10.826 -1.765 1.00 0.00 C ATOM 197 C SER A 13 -12.908 9.825 -2.693 1.00 0.00 C ATOM 198 O SER A 13 -13.389 10.180 -3.750 1.00 0.00 O ATOM 199 CB SER A 13 -12.984 12.142 -1.760 1.00 0.00 C ATOM 200 OG SER A 13 -13.478 12.403 -3.068 1.00 0.00 O ATOM 0 H SER A 13 -10.128 11.207 -1.463 1.00 0.00 H new ATOM 0 HA SER A 13 -12.169 10.401 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.811 12.085 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.340 12.958 -1.433 1.00 0.00 H new ATOM 0 HG SER A 13 -12.999 11.845 -3.716 1.00 0.00 H new ATOM 206 N SER A 14 -12.991 8.582 -2.287 1.00 0.00 N ATOM 207 CA SER A 14 -13.686 7.551 -3.120 1.00 0.00 C ATOM 208 C SER A 14 -12.744 6.996 -4.192 1.00 0.00 C ATOM 209 O SER A 14 -13.126 6.831 -5.332 1.00 0.00 O ATOM 210 CB SER A 14 -14.909 8.174 -3.794 1.00 0.00 C ATOM 211 OG SER A 14 -15.984 7.246 -3.766 1.00 0.00 O ATOM 0 H SER A 14 -12.605 8.235 -1.409 1.00 0.00 H new ATOM 0 HA SER A 14 -13.998 6.734 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.193 9.093 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.673 8.444 -4.823 1.00 0.00 H new ATOM 0 HG SER A 14 -16.439 7.246 -4.634 1.00 0.00 H new ATOM 217 N ILE A 15 -11.526 6.677 -3.845 1.00 0.00 N ATOM 218 CA ILE A 15 -10.607 6.107 -4.870 1.00 0.00 C ATOM 219 C ILE A 15 -10.918 4.614 -5.001 1.00 0.00 C ATOM 220 O ILE A 15 -10.932 4.060 -6.086 1.00 0.00 O ATOM 221 CB ILE A 15 -9.138 6.348 -4.457 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.551 7.426 -5.370 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.306 5.064 -4.590 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.496 6.905 -6.809 1.00 0.00 C ATOM 0 H ILE A 15 -11.132 6.784 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.752 6.592 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.110 6.663 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.160 8.329 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.551 7.698 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.277 5.265 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.725 4.290 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.324 4.724 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.078 7.674 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.869 6.015 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.503 6.655 -7.144 1.00 0.00 H new ATOM 236 N ARG A 16 -11.209 3.970 -3.906 1.00 0.00 N ATOM 237 CA ARG A 16 -11.564 2.527 -3.967 1.00 0.00 C ATOM 238 C ARG A 16 -12.886 2.447 -4.706 1.00 0.00 C ATOM 239 O ARG A 16 -13.175 1.508 -5.420 1.00 0.00 O ATOM 240 CB ARG A 16 -11.747 1.967 -2.553 1.00 0.00 C ATOM 241 CG ARG A 16 -10.821 2.699 -1.579 1.00 0.00 C ATOM 242 CD ARG A 16 -10.558 1.822 -0.349 1.00 0.00 C ATOM 243 NE ARG A 16 -11.652 0.820 -0.191 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.598 1.015 0.686 1.00 0.00 C ATOM 245 NH1 ARG A 16 -12.296 1.321 1.918 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.849 0.903 0.328 1.00 0.00 N ATOM 0 H ARG A 16 -11.216 4.381 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.781 1.953 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.784 2.082 -2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.528 0.899 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.879 2.941 -2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.273 3.643 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.600 1.313 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.492 2.444 0.544 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.660 -0.020 -0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.319 1.408 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.037 1.473 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.084 0.664 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.591 1.055 1.012 1.00 0.00 H new ATOM 260 N TRP A 17 -13.681 3.462 -4.538 1.00 0.00 N ATOM 261 CA TRP A 17 -14.995 3.524 -5.213 1.00 0.00 C ATOM 262 C TRP A 17 -14.758 3.518 -6.722 1.00 0.00 C ATOM 263 O TRP A 17 -15.094 2.579 -7.409 1.00 0.00 O ATOM 264 CB TRP A 17 -15.701 4.823 -4.756 1.00 0.00 C ATOM 265 CG TRP A 17 -16.350 5.547 -5.905 1.00 0.00 C ATOM 266 CD1 TRP A 17 -15.881 6.688 -6.463 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.569 5.214 -6.632 1.00 0.00 C ATOM 268 NE1 TRP A 17 -16.731 7.072 -7.484 1.00 0.00 N ATOM 269 CE2 TRP A 17 -17.787 6.197 -7.627 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.497 4.167 -6.526 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -18.884 6.142 -8.485 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -19.605 4.106 -7.389 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.798 5.093 -8.366 1.00 0.00 C ATOM 0 H TRP A 17 -13.467 4.266 -3.948 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.626 2.672 -4.960 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -16.455 4.581 -4.007 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -14.976 5.480 -4.277 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -14.987 7.213 -6.160 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -16.593 7.902 -8.061 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -18.359 3.402 -5.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -19.026 6.905 -9.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -20.312 3.294 -7.299 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.652 5.042 -9.025 1.00 0.00 H new ATOM 284 N VAL A 18 -14.215 4.578 -7.237 1.00 0.00 N ATOM 285 CA VAL A 18 -13.986 4.662 -8.705 1.00 0.00 C ATOM 286 C VAL A 18 -13.489 3.315 -9.257 1.00 0.00 C ATOM 287 O VAL A 18 -14.134 2.680 -10.075 1.00 0.00 O ATOM 288 CB VAL A 18 -12.920 5.731 -8.965 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.418 5.626 -10.407 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.531 7.117 -8.742 1.00 0.00 C ATOM 0 H VAL A 18 -13.917 5.396 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.923 4.916 -9.201 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.084 5.580 -8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.660 6.389 -10.585 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.985 4.639 -10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.251 5.775 -11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.776 7.881 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.367 7.261 -9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.886 7.197 -7.714 1.00 0.00 H new ATOM 300 N LEU A 19 -12.327 2.895 -8.828 1.00 0.00 N ATOM 301 CA LEU A 19 -11.748 1.616 -9.334 1.00 0.00 C ATOM 302 C LEU A 19 -12.638 0.424 -8.981 1.00 0.00 C ATOM 303 O LEU A 19 -13.264 -0.160 -9.839 1.00 0.00 O ATOM 304 CB LEU A 19 -10.364 1.408 -8.717 1.00 0.00 C ATOM 305 CG LEU A 19 -9.358 2.349 -9.382 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.988 2.179 -8.726 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.252 2.013 -10.872 1.00 0.00 C ATOM 0 H LEU A 19 -11.751 3.387 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.675 1.681 -10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.401 1.598 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.049 0.373 -8.847 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.693 3.379 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.272 2.850 -9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.061 2.417 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.653 1.148 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.535 2.683 -11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.918 0.982 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.228 2.134 -11.343 1.00 0.00 H new ATOM 319 N GLU A 20 -12.663 0.040 -7.731 1.00 0.00 N ATOM 320 CA GLU A 20 -13.476 -1.143 -7.307 1.00 0.00 C ATOM 321 C GLU A 20 -14.756 -1.252 -8.142 1.00 0.00 C ATOM 322 O GLU A 20 -15.214 -2.333 -8.448 1.00 0.00 O ATOM 323 CB GLU A 20 -13.841 -1.000 -5.828 1.00 0.00 C ATOM 324 CG GLU A 20 -14.577 -2.256 -5.362 1.00 0.00 C ATOM 325 CD GLU A 20 -15.891 -1.858 -4.687 1.00 0.00 C ATOM 326 OE1 GLU A 20 -16.513 -0.918 -5.154 1.00 0.00 O ATOM 327 OE2 GLU A 20 -16.252 -2.501 -3.715 1.00 0.00 O ATOM 0 H GLU A 20 -12.151 0.499 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.886 -2.046 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.940 -0.851 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.469 -0.121 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.776 -2.910 -6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.954 -2.818 -4.666 1.00 0.00 H new ATOM 334 N ARG A 21 -15.331 -0.145 -8.522 1.00 0.00 N ATOM 335 CA ARG A 21 -16.572 -0.201 -9.346 1.00 0.00 C ATOM 336 C ARG A 21 -16.220 -0.777 -10.714 1.00 0.00 C ATOM 337 O ARG A 21 -16.783 -1.762 -11.149 1.00 0.00 O ATOM 338 CB ARG A 21 -17.147 1.204 -9.515 1.00 0.00 C ATOM 339 CG ARG A 21 -17.671 1.708 -8.170 1.00 0.00 C ATOM 340 CD ARG A 21 -18.946 0.948 -7.793 1.00 0.00 C ATOM 341 NE ARG A 21 -19.269 1.201 -6.360 1.00 0.00 N ATOM 342 CZ ARG A 21 -19.021 0.288 -5.462 1.00 0.00 C ATOM 343 NH1 ARG A 21 -19.201 -0.973 -5.745 1.00 0.00 N ATOM 344 NH2 ARG A 21 -18.597 0.639 -4.279 1.00 0.00 N ATOM 0 H ARG A 21 -14.997 0.793 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.315 -0.828 -8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.380 1.879 -9.894 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.952 1.193 -10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.913 1.570 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.877 2.777 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.774 1.268 -8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.810 -0.120 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.685 2.090 -6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.536 -1.246 -6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.007 -1.686 -5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.460 1.625 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.402 -0.073 -3.575 1.00 0.00 H new ATOM 358 N ALA A 22 -15.274 -0.178 -11.390 1.00 0.00 N ATOM 359 CA ALA A 22 -14.870 -0.704 -12.726 1.00 0.00 C ATOM 360 C ALA A 22 -14.111 -2.025 -12.540 1.00 0.00 C ATOM 361 O ALA A 22 -13.727 -2.671 -13.494 1.00 0.00 O ATOM 362 CB ALA A 22 -13.963 0.313 -13.423 1.00 0.00 C ATOM 0 H ALA A 22 -14.766 0.649 -11.076 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.757 -0.874 -13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.668 -0.072 -14.399 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.501 1.253 -13.551 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.074 0.483 -12.816 1.00 0.00 H new ATOM 368 N LEU A 23 -13.890 -2.425 -11.315 1.00 0.00 N ATOM 369 CA LEU A 23 -13.157 -3.695 -11.053 1.00 0.00 C ATOM 370 C LEU A 23 -14.155 -4.786 -10.662 1.00 0.00 C ATOM 371 O LEU A 23 -13.855 -5.965 -10.705 1.00 0.00 O ATOM 372 CB LEU A 23 -12.167 -3.468 -9.908 1.00 0.00 C ATOM 373 CG LEU A 23 -10.764 -3.238 -10.477 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.401 -4.377 -11.432 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.736 -1.910 -11.237 1.00 0.00 C ATOM 0 H LEU A 23 -14.189 -1.921 -10.480 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.619 -4.006 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.474 -2.608 -9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.163 -4.331 -9.242 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.043 -3.209 -9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.402 -4.210 -11.835 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.421 -5.324 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.121 -4.410 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.738 -1.744 -11.643 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.459 -1.942 -12.052 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.991 -1.097 -10.558 1.00 0.00 H new ATOM 387 N ALA A 24 -15.345 -4.400 -10.287 1.00 0.00 N ATOM 388 CA ALA A 24 -16.368 -5.410 -9.904 1.00 0.00 C ATOM 389 C ALA A 24 -17.003 -5.966 -11.178 1.00 0.00 C ATOM 390 O ALA A 24 -17.106 -7.163 -11.360 1.00 0.00 O ATOM 391 CB ALA A 24 -17.446 -4.750 -9.040 1.00 0.00 C ATOM 0 H ALA A 24 -15.651 -3.429 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.902 -6.215 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.194 -5.492 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.989 -4.339 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.923 -3.948 -9.603 1.00 0.00 H new ATOM 397 N GLY A 25 -17.416 -5.105 -12.069 1.00 0.00 N ATOM 398 CA GLY A 25 -18.028 -5.586 -13.337 1.00 0.00 C ATOM 399 C GLY A 25 -17.019 -6.472 -14.066 1.00 0.00 C ATOM 400 O GLY A 25 -17.372 -7.283 -14.899 1.00 0.00 O ATOM 0 H GLY A 25 -17.355 -4.091 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.940 -6.146 -13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.310 -4.740 -13.964 1.00 0.00 H new ATOM 404 N ALA A 26 -15.761 -6.326 -13.749 1.00 0.00 N ATOM 405 CA ALA A 26 -14.721 -7.161 -14.411 1.00 0.00 C ATOM 406 C ALA A 26 -14.550 -8.462 -13.620 1.00 0.00 C ATOM 407 O ALA A 26 -14.245 -9.501 -14.172 1.00 0.00 O ATOM 408 CB ALA A 26 -13.396 -6.397 -14.439 1.00 0.00 C ATOM 0 H ALA A 26 -15.409 -5.663 -13.059 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.024 -7.390 -15.433 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.634 -7.008 -14.923 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.523 -5.468 -14.994 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.085 -6.170 -13.419 1.00 0.00 H new ATOM 414 N GLY A 27 -14.755 -8.411 -12.331 1.00 0.00 N ATOM 415 CA GLY A 27 -14.616 -9.642 -11.499 1.00 0.00 C ATOM 416 C GLY A 27 -13.165 -9.808 -11.046 1.00 0.00 C ATOM 417 O GLY A 27 -12.500 -10.761 -11.403 1.00 0.00 O ATOM 0 H GLY A 27 -15.013 -7.569 -11.817 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.272 -9.579 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.929 -10.515 -12.072 1.00 0.00 H new ATOM 421 N LEU A 28 -12.664 -8.892 -10.262 1.00 0.00 N ATOM 422 CA LEU A 28 -11.253 -9.009 -9.792 1.00 0.00 C ATOM 423 C LEU A 28 -11.132 -8.477 -8.366 1.00 0.00 C ATOM 424 O LEU A 28 -12.081 -7.989 -7.784 1.00 0.00 O ATOM 425 CB LEU A 28 -10.343 -8.197 -10.710 1.00 0.00 C ATOM 426 CG LEU A 28 -10.006 -9.025 -11.948 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.116 -8.210 -12.882 1.00 0.00 C ATOM 428 CD2 LEU A 28 -9.264 -10.289 -11.518 1.00 0.00 C ATOM 0 H LEU A 28 -13.168 -8.071 -9.928 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.957 -10.058 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.836 -7.270 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.429 -7.921 -10.184 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.925 -9.295 -12.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.876 -8.802 -13.765 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.640 -7.303 -13.184 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.195 -7.941 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.020 -10.885 -12.398 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.345 -10.013 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.896 -10.872 -10.849 1.00 0.00 H new ATOM 440 N THR A 29 -9.958 -8.564 -7.808 1.00 0.00 N ATOM 441 CA THR A 29 -9.741 -8.063 -6.422 1.00 0.00 C ATOM 442 C THR A 29 -9.112 -6.673 -6.500 1.00 0.00 C ATOM 443 O THR A 29 -7.907 -6.529 -6.604 1.00 0.00 O ATOM 444 CB THR A 29 -8.801 -9.015 -5.679 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.495 -10.213 -5.363 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.305 -8.354 -4.388 1.00 0.00 C ATOM 0 H THR A 29 -9.133 -8.964 -8.255 1.00 0.00 H new ATOM 0 HA THR A 29 -10.690 -8.011 -5.888 1.00 0.00 H new ATOM 0 HB THR A 29 -7.946 -9.245 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.893 -10.824 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.636 -9.037 -3.863 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.769 -7.437 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.156 -8.118 -3.750 1.00 0.00 H new ATOM 454 N CYS A 30 -9.916 -5.648 -6.472 1.00 0.00 N ATOM 455 CA CYS A 30 -9.371 -4.273 -6.563 1.00 0.00 C ATOM 456 C CYS A 30 -9.051 -3.744 -5.170 1.00 0.00 C ATOM 457 O CYS A 30 -9.796 -2.967 -4.605 1.00 0.00 O ATOM 458 CB CYS A 30 -10.418 -3.381 -7.209 1.00 0.00 C ATOM 459 SG CYS A 30 -9.680 -1.783 -7.634 1.00 0.00 S ATOM 0 H CYS A 30 -10.931 -5.707 -6.390 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.457 -4.280 -7.157 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.814 -3.859 -8.105 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.256 -3.236 -6.528 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.310 -0.834 -7.008 1.00 0.00 H new ATOM 465 N THR A 31 -7.947 -4.145 -4.612 1.00 0.00 N ATOM 466 CA THR A 31 -7.583 -3.648 -3.260 1.00 0.00 C ATOM 467 C THR A 31 -7.070 -2.214 -3.389 1.00 0.00 C ATOM 468 O THR A 31 -6.175 -1.934 -4.158 1.00 0.00 O ATOM 469 CB THR A 31 -6.486 -4.534 -2.668 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.043 -5.785 -2.288 1.00 0.00 O ATOM 471 CG2 THR A 31 -5.879 -3.850 -1.443 1.00 0.00 C ATOM 0 H THR A 31 -7.282 -4.794 -5.032 1.00 0.00 H new ATOM 0 HA THR A 31 -8.454 -3.674 -2.605 1.00 0.00 H new ATOM 0 HB THR A 31 -5.707 -4.694 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.356 -6.330 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.098 -4.483 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.451 -2.891 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.655 -3.687 -0.695 1.00 0.00 H new ATOM 479 N THR A 32 -7.629 -1.300 -2.652 1.00 0.00 N ATOM 480 CA THR A 32 -7.157 0.105 -2.751 1.00 0.00 C ATOM 481 C THR A 32 -6.926 0.669 -1.354 1.00 0.00 C ATOM 482 O THR A 32 -7.705 0.451 -0.449 1.00 0.00 O ATOM 483 CB THR A 32 -8.200 0.958 -3.467 1.00 0.00 C ATOM 484 OG1 THR A 32 -9.435 0.869 -2.773 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.379 0.461 -4.900 1.00 0.00 C ATOM 0 H THR A 32 -8.387 -1.463 -1.989 1.00 0.00 H new ATOM 0 HA THR A 32 -6.224 0.123 -3.315 1.00 0.00 H new ATOM 0 HB THR A 32 -7.867 1.996 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.843 -0.006 -2.942 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.125 1.073 -5.407 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.430 0.532 -5.431 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.711 -0.577 -4.886 1.00 0.00 H new ATOM 493 N PHE A 33 -5.865 1.399 -1.172 1.00 0.00 N ATOM 494 CA PHE A 33 -5.591 1.985 0.169 1.00 0.00 C ATOM 495 C PHE A 33 -5.358 3.489 0.013 1.00 0.00 C ATOM 496 O PHE A 33 -4.699 3.933 -0.906 1.00 0.00 O ATOM 497 CB PHE A 33 -4.354 1.321 0.771 1.00 0.00 C ATOM 498 CG PHE A 33 -4.770 0.098 1.555 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.441 0.243 2.774 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.482 -1.181 1.063 1.00 0.00 C ATOM 501 CE1 PHE A 33 -5.825 -0.889 3.502 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.866 -2.314 1.790 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.538 -2.169 3.009 1.00 0.00 C ATOM 0 H PHE A 33 -5.175 1.616 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.439 1.816 0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.658 1.040 -0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.832 2.023 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.663 1.229 3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.963 -1.293 0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.342 -0.776 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.644 -3.300 1.410 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.835 -3.043 3.569 1.00 0.00 H new ATOM 513 N GLU A 34 -5.909 4.279 0.893 1.00 0.00 N ATOM 514 CA GLU A 34 -5.737 5.756 0.785 1.00 0.00 C ATOM 515 C GLU A 34 -4.305 6.157 1.155 1.00 0.00 C ATOM 516 O GLU A 34 -3.799 7.163 0.698 1.00 0.00 O ATOM 517 CB GLU A 34 -6.716 6.451 1.734 1.00 0.00 C ATOM 518 CG GLU A 34 -8.102 5.819 1.596 1.00 0.00 C ATOM 519 CD GLU A 34 -8.695 5.576 2.986 1.00 0.00 C ATOM 520 OE1 GLU A 34 -8.151 4.756 3.706 1.00 0.00 O ATOM 521 OE2 GLU A 34 -9.685 6.214 3.306 1.00 0.00 O ATOM 0 H GLU A 34 -6.472 3.965 1.684 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.935 6.059 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.366 6.362 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.766 7.515 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.756 6.474 1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.031 4.878 1.050 1.00 0.00 H new ATOM 528 N ASN A 35 -3.648 5.391 1.984 1.00 0.00 N ATOM 529 CA ASN A 35 -2.254 5.755 2.379 1.00 0.00 C ATOM 530 C ASN A 35 -1.259 4.755 1.783 1.00 0.00 C ATOM 531 O ASN A 35 -1.448 3.555 1.854 1.00 0.00 O ATOM 532 CB ASN A 35 -2.137 5.744 3.904 1.00 0.00 C ATOM 533 CG ASN A 35 -3.005 6.861 4.489 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.497 7.865 4.945 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.302 6.726 4.490 1.00 0.00 N ATOM 0 H ASN A 35 -4.012 4.535 2.403 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.026 6.751 2.000 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.454 4.778 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.097 5.883 4.201 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.891 7.465 4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.727 5.882 4.106 1.00 0.00 H new ATOM 542 N GLY A 36 -0.194 5.242 1.204 1.00 0.00 N ATOM 543 CA GLY A 36 0.819 4.325 0.611 1.00 0.00 C ATOM 544 C GLY A 36 1.310 3.353 1.681 1.00 0.00 C ATOM 545 O GLY A 36 1.102 2.163 1.589 1.00 0.00 O ATOM 0 H GLY A 36 0.017 6.236 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.384 3.775 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.656 4.898 0.213 1.00 0.00 H new ATOM 549 N ASN A 37 1.963 3.857 2.692 1.00 0.00 N ATOM 550 CA ASN A 37 2.476 2.966 3.779 1.00 0.00 C ATOM 551 C ASN A 37 1.448 1.876 4.077 1.00 0.00 C ATOM 552 O ASN A 37 1.631 0.730 3.722 1.00 0.00 O ATOM 553 CB ASN A 37 2.723 3.777 5.058 1.00 0.00 C ATOM 554 CG ASN A 37 1.944 5.096 5.019 1.00 0.00 C ATOM 555 OD1 ASN A 37 0.825 5.142 4.550 1.00 0.00 O ATOM 556 ND2 ASN A 37 2.496 6.178 5.496 1.00 0.00 N ATOM 0 H ASN A 37 2.165 4.849 2.815 1.00 0.00 H new ATOM 0 HA ASN A 37 3.412 2.516 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.420 3.195 5.928 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.788 3.981 5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.987 7.062 5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.436 6.140 5.890 1.00 0.00 H new ATOM 563 N GLU A 38 0.371 2.239 4.734 1.00 0.00 N ATOM 564 CA GLU A 38 -0.701 1.249 5.078 1.00 0.00 C ATOM 565 C GLU A 38 -0.774 0.160 4.007 1.00 0.00 C ATOM 566 O GLU A 38 -0.869 -1.014 4.303 1.00 0.00 O ATOM 567 CB GLU A 38 -2.050 1.971 5.146 1.00 0.00 C ATOM 568 CG GLU A 38 -2.408 2.258 6.606 1.00 0.00 C ATOM 569 CD GLU A 38 -2.633 0.940 7.349 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.679 0.342 7.152 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.758 0.552 8.104 1.00 0.00 O ATOM 0 H GLU A 38 0.187 3.191 5.050 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.469 0.793 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.003 2.903 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.825 1.359 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.607 2.823 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.306 2.873 6.656 1.00 0.00 H new ATOM 578 N VAL A 39 -0.715 0.545 2.762 1.00 0.00 N ATOM 579 CA VAL A 39 -0.764 -0.445 1.667 1.00 0.00 C ATOM 580 C VAL A 39 0.327 -1.485 1.883 1.00 0.00 C ATOM 581 O VAL A 39 0.066 -2.660 2.048 1.00 0.00 O ATOM 582 CB VAL A 39 -0.494 0.287 0.362 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.734 -0.654 -0.809 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.411 1.504 0.251 1.00 0.00 C ATOM 0 H VAL A 39 -0.634 1.516 2.460 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.737 -0.937 1.641 1.00 0.00 H new ATOM 0 HB VAL A 39 0.543 0.623 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.540 -0.128 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.066 -1.511 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.768 -0.998 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.213 2.025 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.451 1.179 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.224 2.178 1.087 1.00 0.00 H new ATOM 594 N LEU A 40 1.554 -1.053 1.878 1.00 0.00 N ATOM 595 CA LEU A 40 2.680 -1.998 2.078 1.00 0.00 C ATOM 596 C LEU A 40 2.569 -2.615 3.471 1.00 0.00 C ATOM 597 O LEU A 40 3.214 -3.597 3.777 1.00 0.00 O ATOM 598 CB LEU A 40 4.009 -1.247 1.923 1.00 0.00 C ATOM 599 CG LEU A 40 3.976 -0.301 0.697 1.00 0.00 C ATOM 600 CD1 LEU A 40 2.952 -0.765 -0.351 1.00 0.00 C ATOM 601 CD2 LEU A 40 3.620 1.113 1.158 1.00 0.00 C ATOM 0 H LEU A 40 1.826 -0.079 1.743 1.00 0.00 H new ATOM 0 HA LEU A 40 2.642 -2.793 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.212 -0.670 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.824 -1.963 1.812 1.00 0.00 H new ATOM 0 HG LEU A 40 4.963 -0.314 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.958 -0.076 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.213 -1.765 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.958 -0.783 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.596 1.781 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.641 1.104 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.369 1.463 1.868 1.00 0.00 H new ATOM 613 N ALA A 41 1.729 -2.067 4.308 1.00 0.00 N ATOM 614 CA ALA A 41 1.555 -2.650 5.664 1.00 0.00 C ATOM 615 C ALA A 41 0.682 -3.895 5.522 1.00 0.00 C ATOM 616 O ALA A 41 0.870 -4.885 6.201 1.00 0.00 O ATOM 617 CB ALA A 41 0.872 -1.636 6.585 1.00 0.00 C ATOM 0 H ALA A 41 1.159 -1.244 4.110 1.00 0.00 H new ATOM 0 HA ALA A 41 2.522 -2.907 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.748 -2.071 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.486 -0.738 6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.105 -1.376 6.178 1.00 0.00 H new ATOM 623 N ALA A 42 -0.259 -3.855 4.615 1.00 0.00 N ATOM 624 CA ALA A 42 -1.130 -5.038 4.393 1.00 0.00 C ATOM 625 C ALA A 42 -0.318 -6.089 3.641 1.00 0.00 C ATOM 626 O ALA A 42 -0.466 -7.276 3.854 1.00 0.00 O ATOM 627 CB ALA A 42 -2.348 -4.633 3.560 1.00 0.00 C ATOM 0 H ALA A 42 -0.459 -3.051 4.020 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.476 -5.438 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.984 -5.503 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.911 -3.864 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.017 -4.243 2.598 1.00 0.00 H new ATOM 633 N LEU A 43 0.560 -5.654 2.776 1.00 0.00 N ATOM 634 CA LEU A 43 1.408 -6.614 2.021 1.00 0.00 C ATOM 635 C LEU A 43 2.392 -7.274 2.983 1.00 0.00 C ATOM 636 O LEU A 43 3.097 -8.179 2.607 1.00 0.00 O ATOM 637 CB LEU A 43 2.212 -5.859 0.964 1.00 0.00 C ATOM 638 CG LEU A 43 1.281 -5.256 -0.085 1.00 0.00 C ATOM 639 CD1 LEU A 43 2.112 -4.745 -1.265 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.308 -6.328 -0.576 1.00 0.00 C ATOM 0 H LEU A 43 0.725 -4.671 2.561 1.00 0.00 H new ATOM 0 HA LEU A 43 0.772 -7.363 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.796 -5.070 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.920 -6.535 0.485 1.00 0.00 H new ATOM 0 HG LEU A 43 0.722 -4.430 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.450 -4.314 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.810 -3.984 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.668 -5.573 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.358 -5.899 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.868 -7.153 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.281 -6.697 0.264 1.00 0.00 H new ATOM 652 N ALA A 44 2.450 -6.785 4.200 1.00 0.00 N ATOM 653 CA ALA A 44 3.392 -7.312 5.246 1.00 0.00 C ATOM 654 C ALA A 44 4.178 -8.514 4.752 1.00 0.00 C ATOM 655 O ALA A 44 5.383 -8.464 4.605 1.00 0.00 O ATOM 656 CB ALA A 44 2.600 -7.699 6.497 1.00 0.00 C ATOM 0 H ALA A 44 1.863 -6.016 4.523 1.00 0.00 H new ATOM 0 HA ALA A 44 4.106 -6.522 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.283 -8.081 7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.081 -6.823 6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.872 -8.469 6.243 1.00 0.00 H new ATOM 662 N SER A 45 3.512 -9.587 4.482 1.00 0.00 N ATOM 663 CA SER A 45 4.232 -10.782 3.979 1.00 0.00 C ATOM 664 C SER A 45 4.702 -10.495 2.554 1.00 0.00 C ATOM 665 O SER A 45 5.880 -10.481 2.268 1.00 0.00 O ATOM 666 CB SER A 45 3.294 -11.988 3.975 1.00 0.00 C ATOM 667 OG SER A 45 3.974 -13.112 4.517 1.00 0.00 O ATOM 0 H SER A 45 2.503 -9.693 4.586 1.00 0.00 H new ATOM 0 HA SER A 45 5.085 -11.002 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.401 -11.771 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.964 -12.203 2.959 1.00 0.00 H new ATOM 0 HG SER A 45 3.375 -13.888 4.518 1.00 0.00 H new ATOM 673 N LYS A 46 3.776 -10.244 1.668 1.00 0.00 N ATOM 674 CA LYS A 46 4.130 -9.931 0.244 1.00 0.00 C ATOM 675 C LYS A 46 2.913 -9.319 -0.461 1.00 0.00 C ATOM 676 O LYS A 46 1.892 -9.059 0.144 1.00 0.00 O ATOM 677 CB LYS A 46 4.533 -11.193 -0.555 1.00 0.00 C ATOM 678 CG LYS A 46 4.924 -12.368 0.350 1.00 0.00 C ATOM 679 CD LYS A 46 6.445 -12.388 0.525 1.00 0.00 C ATOM 680 CE LYS A 46 7.094 -12.922 -0.752 1.00 0.00 C ATOM 681 NZ LYS A 46 7.505 -14.339 -0.546 1.00 0.00 N ATOM 0 H LYS A 46 2.776 -10.241 1.868 1.00 0.00 H new ATOM 0 HA LYS A 46 4.975 -9.243 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.703 -11.493 -1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.369 -10.951 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.436 -12.273 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.584 -13.307 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.811 -11.384 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.717 -13.015 1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.394 -12.853 -1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.961 -12.315 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.175 -14.618 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.961 -14.437 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.667 -14.953 -0.587 1.00 0.00 H new ATOM 695 N THR A 47 3.022 -9.106 -1.746 1.00 0.00 N ATOM 696 CA THR A 47 1.887 -8.530 -2.527 1.00 0.00 C ATOM 697 C THR A 47 1.170 -9.683 -3.250 1.00 0.00 C ATOM 698 O THR A 47 1.785 -10.684 -3.555 1.00 0.00 O ATOM 699 CB THR A 47 2.456 -7.520 -3.533 1.00 0.00 C ATOM 700 OG1 THR A 47 3.270 -6.583 -2.843 1.00 0.00 O ATOM 701 CG2 THR A 47 1.328 -6.778 -4.249 1.00 0.00 C ATOM 0 H THR A 47 3.858 -9.309 -2.294 1.00 0.00 H new ATOM 0 HA THR A 47 1.174 -8.018 -1.881 1.00 0.00 H new ATOM 0 HB THR A 47 3.047 -8.057 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.271 -5.731 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.753 -6.067 -4.958 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.703 -7.494 -4.783 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.722 -6.243 -3.517 1.00 0.00 H new ATOM 709 N PRO A 48 -0.112 -9.529 -3.474 1.00 0.00 N ATOM 710 CA PRO A 48 -0.830 -10.645 -4.135 1.00 0.00 C ATOM 711 C PRO A 48 -0.529 -10.727 -5.639 1.00 0.00 C ATOM 712 O PRO A 48 0.273 -11.537 -6.062 1.00 0.00 O ATOM 713 CB PRO A 48 -2.309 -10.374 -3.870 1.00 0.00 C ATOM 714 CG PRO A 48 -2.427 -8.874 -3.563 1.00 0.00 C ATOM 715 CD PRO A 48 -1.023 -8.397 -3.156 1.00 0.00 C ATOM 0 HA PRO A 48 -0.513 -11.610 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.914 -10.642 -4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.669 -10.971 -3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.784 -8.327 -4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.144 -8.698 -2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.739 -7.499 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.985 -8.148 -2.095 1.00 0.00 H new ATOM 723 N ASP A 49 -1.167 -9.934 -6.464 1.00 0.00 N ATOM 724 CA ASP A 49 -0.892 -10.044 -7.925 1.00 0.00 C ATOM 725 C ASP A 49 0.056 -8.934 -8.375 1.00 0.00 C ATOM 726 O ASP A 49 1.225 -9.157 -8.612 1.00 0.00 O ATOM 727 CB ASP A 49 -2.206 -9.935 -8.701 1.00 0.00 C ATOM 728 CG ASP A 49 -2.461 -11.240 -9.458 1.00 0.00 C ATOM 729 OD1 ASP A 49 -1.873 -12.242 -9.085 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.239 -11.215 -10.397 1.00 0.00 O ATOM 0 H ASP A 49 -1.853 -9.229 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.424 -11.009 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.029 -9.733 -8.016 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.160 -9.100 -9.400 1.00 0.00 H new ATOM 735 N VAL A 50 -0.446 -7.741 -8.506 1.00 0.00 N ATOM 736 CA VAL A 50 0.418 -6.612 -8.957 1.00 0.00 C ATOM 737 C VAL A 50 0.185 -5.412 -8.046 1.00 0.00 C ATOM 738 O VAL A 50 -0.922 -5.154 -7.617 1.00 0.00 O ATOM 739 CB VAL A 50 0.057 -6.238 -10.403 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.546 -4.820 -10.722 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.725 -7.219 -11.365 1.00 0.00 C ATOM 0 H VAL A 50 -1.419 -7.496 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 50 1.466 -6.908 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.026 -6.281 -10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.284 -4.567 -11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.074 -4.111 -10.042 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.628 -4.773 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.469 -6.954 -12.391 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.807 -7.174 -11.238 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.377 -8.230 -11.154 1.00 0.00 H new ATOM 751 N LEU A 51 1.210 -4.667 -7.751 1.00 0.00 N ATOM 752 CA LEU A 51 1.013 -3.484 -6.873 1.00 0.00 C ATOM 753 C LEU A 51 0.935 -2.221 -7.726 1.00 0.00 C ATOM 754 O LEU A 51 1.738 -2.005 -8.611 1.00 0.00 O ATOM 755 CB LEU A 51 2.169 -3.365 -5.882 1.00 0.00 C ATOM 756 CG LEU A 51 1.606 -3.220 -4.464 1.00 0.00 C ATOM 757 CD1 LEU A 51 2.696 -2.696 -3.541 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.432 -2.237 -4.462 1.00 0.00 C ATOM 0 H LEU A 51 2.165 -4.823 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 51 0.083 -3.606 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.808 -4.246 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.789 -2.503 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 51 1.260 -4.194 -4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.299 -2.592 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.532 -3.395 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.039 -1.725 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.039 -2.141 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.773 -1.263 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.353 -2.606 -5.122 1.00 0.00 H new ATOM 770 N LEU A 52 -0.032 -1.385 -7.470 1.00 0.00 N ATOM 771 CA LEU A 52 -0.169 -0.137 -8.271 1.00 0.00 C ATOM 772 C LEU A 52 -0.033 1.082 -7.357 1.00 0.00 C ATOM 773 O LEU A 52 -0.570 1.118 -6.268 1.00 0.00 O ATOM 774 CB LEU A 52 -1.545 -0.116 -8.942 1.00 0.00 C ATOM 775 CG LEU A 52 -1.374 -0.129 -10.462 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.426 -1.050 -11.084 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.552 1.289 -11.008 1.00 0.00 C ATOM 0 H LEU A 52 -0.734 -1.512 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 52 0.613 -0.107 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.129 -0.980 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.097 0.773 -8.635 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.377 -0.492 -10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.306 -1.060 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.300 -2.061 -10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.422 -0.686 -10.833 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.430 1.280 -12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.549 1.653 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.804 1.946 -10.564 1.00 0.00 H new ATOM 789 N SER A 53 0.676 2.085 -7.795 1.00 0.00 N ATOM 790 CA SER A 53 0.839 3.309 -6.957 1.00 0.00 C ATOM 791 C SER A 53 0.740 4.544 -7.853 1.00 0.00 C ATOM 792 O SER A 53 1.522 4.722 -8.765 1.00 0.00 O ATOM 793 CB SER A 53 2.202 3.282 -6.265 1.00 0.00 C ATOM 794 OG SER A 53 2.042 3.638 -4.898 1.00 0.00 O ATOM 0 H SER A 53 1.150 2.111 -8.698 1.00 0.00 H new ATOM 0 HA SER A 53 0.056 3.342 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.644 2.289 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.886 3.975 -6.756 1.00 0.00 H new ATOM 0 HG SER A 53 2.914 3.620 -4.451 1.00 0.00 H new ATOM 800 N ASP A 54 -0.221 5.395 -7.613 1.00 0.00 N ATOM 801 CA ASP A 54 -0.363 6.604 -8.471 1.00 0.00 C ATOM 802 C ASP A 54 0.137 7.844 -7.724 1.00 0.00 C ATOM 803 O ASP A 54 0.235 7.860 -6.513 1.00 0.00 O ATOM 804 CB ASP A 54 -1.834 6.792 -8.842 1.00 0.00 C ATOM 805 CG ASP A 54 -2.691 6.695 -7.582 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.533 7.540 -6.715 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.489 5.778 -7.503 1.00 0.00 O ATOM 0 H ASP A 54 -0.909 5.306 -6.865 1.00 0.00 H new ATOM 0 HA ASP A 54 0.232 6.471 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.979 7.761 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.139 6.032 -9.562 1.00 0.00 H new ATOM 812 N ILE A 55 0.449 8.886 -8.448 1.00 0.00 N ATOM 813 CA ILE A 55 0.940 10.136 -7.802 1.00 0.00 C ATOM 814 C ILE A 55 -0.256 11.011 -7.427 1.00 0.00 C ATOM 815 O ILE A 55 -1.178 11.184 -8.201 1.00 0.00 O ATOM 816 CB ILE A 55 1.847 10.890 -8.780 1.00 0.00 C ATOM 817 CG1 ILE A 55 2.080 12.323 -8.270 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.197 10.914 -10.167 1.00 0.00 C ATOM 819 CD1 ILE A 55 0.989 13.271 -8.788 1.00 0.00 C ATOM 0 H ILE A 55 0.384 8.924 -9.465 1.00 0.00 H new ATOM 0 HA ILE A 55 1.505 9.890 -6.903 1.00 0.00 H new ATOM 0 HB ILE A 55 2.810 10.384 -8.852 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.086 12.329 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.059 12.675 -8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.843 11.451 -10.862 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.054 9.893 -10.519 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.231 11.416 -10.108 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.175 14.278 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.002 13.280 -9.878 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.014 12.929 -8.440 1.00 0.00 H new ATOM 831 N ARG A 56 -0.253 11.563 -6.245 1.00 0.00 N ATOM 832 CA ARG A 56 -1.393 12.423 -5.822 1.00 0.00 C ATOM 833 C ARG A 56 -0.894 13.469 -4.825 1.00 0.00 C ATOM 834 O ARG A 56 -1.591 13.847 -3.905 1.00 0.00 O ATOM 835 CB ARG A 56 -2.463 11.553 -5.158 1.00 0.00 C ATOM 836 CG ARG A 56 -1.802 10.629 -4.133 1.00 0.00 C ATOM 837 CD ARG A 56 -2.875 9.995 -3.245 1.00 0.00 C ATOM 838 NE ARG A 56 -2.343 9.839 -1.862 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.440 10.823 -1.009 1.00 0.00 C ATOM 840 NH1 ARG A 56 -2.352 12.058 -1.422 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.625 10.570 0.258 1.00 0.00 N ATOM 0 H ARG A 56 0.490 11.456 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.819 12.924 -6.692 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.208 12.182 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.987 10.964 -5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.232 9.852 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.097 11.192 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.769 10.618 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.168 9.024 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.903 8.963 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.207 12.256 -2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.428 12.826 -0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.694 9.605 0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.701 11.337 0.926 1.00 0.00 H new ATOM 855 N MET A 57 0.313 13.934 -4.996 1.00 0.00 N ATOM 856 CA MET A 57 0.859 14.950 -4.055 1.00 0.00 C ATOM 857 C MET A 57 1.825 15.874 -4.802 1.00 0.00 C ATOM 858 O MET A 57 2.885 15.454 -5.223 1.00 0.00 O ATOM 859 CB MET A 57 1.601 14.242 -2.921 1.00 0.00 C ATOM 860 CG MET A 57 0.625 13.942 -1.782 1.00 0.00 C ATOM 861 SD MET A 57 1.238 12.542 -0.813 1.00 0.00 S ATOM 862 CE MET A 57 0.767 11.236 -1.974 1.00 0.00 C ATOM 0 H MET A 57 0.944 13.654 -5.747 1.00 0.00 H new ATOM 0 HA MET A 57 0.042 15.541 -3.642 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.046 13.316 -3.286 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.417 14.868 -2.560 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.514 14.819 -1.144 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.362 13.714 -2.185 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.144 10.502 -1.463 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.209 11.670 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.664 10.748 -2.356 1.00 0.00 H new ATOM 872 N PRO A 58 1.420 17.107 -4.939 1.00 0.00 N ATOM 873 CA PRO A 58 2.287 18.073 -5.648 1.00 0.00 C ATOM 874 C PRO A 58 2.896 19.064 -4.653 1.00 0.00 C ATOM 875 O PRO A 58 2.228 19.557 -3.766 1.00 0.00 O ATOM 876 CB PRO A 58 1.346 18.793 -6.616 1.00 0.00 C ATOM 877 CG PRO A 58 -0.071 18.633 -6.035 1.00 0.00 C ATOM 878 CD PRO A 58 -0.018 17.445 -5.062 1.00 0.00 C ATOM 0 HA PRO A 58 3.119 17.592 -6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.613 19.846 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.409 18.360 -7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.383 19.542 -5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.796 18.451 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.445 17.709 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.590 16.599 -5.442 1.00 0.00 H new ATOM 886 N GLY A 59 4.158 19.360 -4.791 1.00 0.00 N ATOM 887 CA GLY A 59 4.803 20.320 -3.851 1.00 0.00 C ATOM 888 C GLY A 59 6.202 19.821 -3.485 1.00 0.00 C ATOM 889 O GLY A 59 7.187 20.220 -4.073 1.00 0.00 O ATOM 0 H GLY A 59 4.770 18.980 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.867 21.306 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.197 20.426 -2.951 1.00 0.00 H new ATOM 893 N MET A 60 6.299 18.955 -2.513 1.00 0.00 N ATOM 894 CA MET A 60 7.637 18.440 -2.110 1.00 0.00 C ATOM 895 C MET A 60 7.701 16.926 -2.327 1.00 0.00 C ATOM 896 O MET A 60 8.741 16.379 -2.636 1.00 0.00 O ATOM 897 CB MET A 60 7.875 18.751 -0.629 1.00 0.00 C ATOM 898 CG MET A 60 7.578 20.228 -0.364 1.00 0.00 C ATOM 899 SD MET A 60 8.521 20.781 1.078 1.00 0.00 S ATOM 900 CE MET A 60 7.266 21.895 1.755 1.00 0.00 C ATOM 0 H MET A 60 5.511 18.583 -1.982 1.00 0.00 H new ATOM 0 HA MET A 60 8.404 18.922 -2.716 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.236 18.123 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.906 18.522 -0.359 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.842 20.826 -1.236 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.511 20.371 -0.191 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.643 22.356 2.668 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.036 22.671 1.025 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.362 21.330 1.981 1.00 0.00 H new ATOM 910 N ASP A 61 6.601 16.243 -2.163 1.00 0.00 N ATOM 911 CA ASP A 61 6.612 14.765 -2.354 1.00 0.00 C ATOM 912 C ASP A 61 5.602 14.373 -3.435 1.00 0.00 C ATOM 913 O ASP A 61 4.601 15.032 -3.632 1.00 0.00 O ATOM 914 CB ASP A 61 6.241 14.081 -1.036 1.00 0.00 C ATOM 915 CG ASP A 61 6.792 14.898 0.134 1.00 0.00 C ATOM 916 OD1 ASP A 61 7.872 15.447 -0.008 1.00 0.00 O ATOM 917 OD2 ASP A 61 6.124 14.960 1.153 1.00 0.00 O ATOM 0 H ASP A 61 5.698 16.643 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 61 7.608 14.449 -2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.158 13.991 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.648 13.070 -1.011 1.00 0.00 H new ATOM 922 N GLY A 62 5.857 13.300 -4.134 1.00 0.00 N ATOM 923 CA GLY A 62 4.912 12.862 -5.200 1.00 0.00 C ATOM 924 C GLY A 62 4.591 11.378 -5.018 1.00 0.00 C ATOM 925 O GLY A 62 3.479 11.009 -4.694 1.00 0.00 O ATOM 0 H GLY A 62 6.679 12.708 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.996 13.451 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.351 13.032 -6.183 1.00 0.00 H new ATOM 929 N LEU A 63 5.554 10.521 -5.227 1.00 0.00 N ATOM 930 CA LEU A 63 5.296 9.062 -5.069 1.00 0.00 C ATOM 931 C LEU A 63 6.421 8.424 -4.250 1.00 0.00 C ATOM 932 O LEU A 63 7.444 8.034 -4.779 1.00 0.00 O ATOM 933 CB LEU A 63 5.234 8.406 -6.449 1.00 0.00 C ATOM 934 CG LEU A 63 3.810 7.915 -6.716 1.00 0.00 C ATOM 935 CD1 LEU A 63 3.689 7.464 -8.173 1.00 0.00 C ATOM 936 CD2 LEU A 63 3.496 6.736 -5.792 1.00 0.00 C ATOM 0 H LEU A 63 6.505 10.768 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 63 4.348 8.916 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.534 9.119 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.933 7.571 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 63 3.106 8.725 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.674 7.114 -8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.913 8.302 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.393 6.654 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.481 6.385 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.201 5.927 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.582 7.055 -4.753 1.00 0.00 H new ATOM 948 N ALA A 64 6.236 8.310 -2.965 1.00 0.00 N ATOM 949 CA ALA A 64 7.288 7.690 -2.111 1.00 0.00 C ATOM 950 C ALA A 64 6.676 6.535 -1.318 1.00 0.00 C ATOM 951 O ALA A 64 6.916 6.382 -0.136 1.00 0.00 O ATOM 952 CB ALA A 64 7.850 8.735 -1.144 1.00 0.00 C ATOM 0 H ALA A 64 5.401 8.620 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 64 8.095 7.315 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.619 8.278 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.284 9.559 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.048 9.113 -0.511 1.00 0.00 H new ATOM 958 N LEU A 65 5.882 5.721 -1.958 1.00 0.00 N ATOM 959 CA LEU A 65 5.250 4.577 -1.244 1.00 0.00 C ATOM 960 C LEU A 65 5.714 3.262 -1.879 1.00 0.00 C ATOM 961 O LEU A 65 5.803 2.240 -1.224 1.00 0.00 O ATOM 962 CB LEU A 65 3.728 4.701 -1.340 1.00 0.00 C ATOM 963 CG LEU A 65 3.329 6.161 -1.106 1.00 0.00 C ATOM 964 CD1 LEU A 65 1.873 6.370 -1.525 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.484 6.497 0.379 1.00 0.00 C ATOM 0 H LEU A 65 5.644 5.800 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 65 5.544 4.587 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.385 4.370 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.251 4.058 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 65 3.972 6.812 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.592 7.410 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.761 6.130 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.228 5.720 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.201 7.536 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.840 5.844 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.522 6.350 0.679 1.00 0.00 H new ATOM 977 N LEU A 66 6.029 3.277 -3.143 1.00 0.00 N ATOM 978 CA LEU A 66 6.508 2.027 -3.793 1.00 0.00 C ATOM 979 C LEU A 66 7.896 1.708 -3.243 1.00 0.00 C ATOM 980 O LEU A 66 8.150 0.615 -2.783 1.00 0.00 O ATOM 981 CB LEU A 66 6.585 2.223 -5.310 1.00 0.00 C ATOM 982 CG LEU A 66 6.106 0.954 -6.015 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.452 1.325 -7.348 1.00 0.00 C ATOM 984 CD2 LEU A 66 7.300 0.032 -6.272 1.00 0.00 C ATOM 0 H LEU A 66 5.976 4.095 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 66 5.820 1.208 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.970 3.072 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.609 2.451 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 66 5.379 0.441 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.111 0.420 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.601 1.982 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.178 1.838 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.959 -0.873 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.027 0.545 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.766 -0.234 -5.323 1.00 0.00 H new ATOM 996 N LYS A 67 8.794 2.664 -3.261 1.00 0.00 N ATOM 997 CA LYS A 67 10.154 2.411 -2.707 1.00 0.00 C ATOM 998 C LYS A 67 9.988 1.675 -1.379 1.00 0.00 C ATOM 999 O LYS A 67 10.759 0.796 -1.032 1.00 0.00 O ATOM 1000 CB LYS A 67 10.878 3.744 -2.486 1.00 0.00 C ATOM 1001 CG LYS A 67 12.076 3.536 -1.559 1.00 0.00 C ATOM 1002 CD LYS A 67 13.134 4.602 -1.847 1.00 0.00 C ATOM 1003 CE LYS A 67 14.523 4.041 -1.537 1.00 0.00 C ATOM 1004 NZ LYS A 67 14.748 4.064 -0.065 1.00 0.00 N ATOM 0 H LYS A 67 8.642 3.601 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 67 10.745 1.811 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.212 4.150 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.193 4.473 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.759 3.595 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.496 2.541 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.080 4.910 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.945 5.489 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.608 3.021 -1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.287 4.632 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.692 3.683 0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.684 5.043 0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.026 3.482 0.406 1.00 0.00 H new ATOM 1018 N GLN A 68 8.954 2.006 -0.651 1.00 0.00 N ATOM 1019 CA GLN A 68 8.696 1.309 0.632 1.00 0.00 C ATOM 1020 C GLN A 68 8.503 -0.174 0.301 1.00 0.00 C ATOM 1021 O GLN A 68 9.188 -1.030 0.824 1.00 0.00 O ATOM 1022 CB GLN A 68 7.440 1.922 1.296 1.00 0.00 C ATOM 1023 CG GLN A 68 6.597 0.855 2.008 1.00 0.00 C ATOM 1024 CD GLN A 68 7.393 0.281 3.180 1.00 0.00 C ATOM 1025 OE1 GLN A 68 8.466 -0.257 2.992 1.00 0.00 O ATOM 1026 NE2 GLN A 68 6.912 0.375 4.389 1.00 0.00 N ATOM 0 H GLN A 68 8.279 2.731 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 68 9.521 1.419 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.743 2.685 2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.834 2.419 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.664 1.291 2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.331 0.061 1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.011 0.827 4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.437 -0.003 5.178 1.00 0.00 H new ATOM 1035 N ILE A 69 7.562 -0.477 -0.562 1.00 0.00 N ATOM 1036 CA ILE A 69 7.303 -1.900 -0.937 1.00 0.00 C ATOM 1037 C ILE A 69 8.617 -2.689 -0.997 1.00 0.00 C ATOM 1038 O ILE A 69 8.765 -3.712 -0.358 1.00 0.00 O ATOM 1039 CB ILE A 69 6.581 -1.938 -2.307 1.00 0.00 C ATOM 1040 CG1 ILE A 69 5.560 -3.073 -2.304 1.00 0.00 C ATOM 1041 CG2 ILE A 69 7.561 -2.165 -3.468 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.638 -2.913 -1.099 1.00 0.00 C ATOM 0 H ILE A 69 6.960 0.205 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 69 6.669 -2.364 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 69 6.096 -0.973 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.979 -3.059 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.069 -4.036 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.012 -2.185 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.291 -1.356 -3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.076 -3.115 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.906 -3.721 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.227 -2.948 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.121 -1.956 -1.161 1.00 0.00 H new ATOM 1054 N LYS A 70 9.572 -2.222 -1.754 1.00 0.00 N ATOM 1055 CA LYS A 70 10.865 -2.951 -1.839 1.00 0.00 C ATOM 1056 C LYS A 70 11.383 -3.164 -0.423 1.00 0.00 C ATOM 1057 O LYS A 70 11.478 -4.278 0.053 1.00 0.00 O ATOM 1058 CB LYS A 70 11.872 -2.126 -2.646 1.00 0.00 C ATOM 1059 CG LYS A 70 11.368 -1.959 -4.082 1.00 0.00 C ATOM 1060 CD LYS A 70 10.884 -3.309 -4.619 1.00 0.00 C ATOM 1061 CE LYS A 70 10.428 -3.153 -6.070 1.00 0.00 C ATOM 1062 NZ LYS A 70 11.524 -3.583 -6.983 1.00 0.00 N ATOM 0 H LYS A 70 9.512 -1.372 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 70 10.727 -3.911 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.011 -1.149 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.844 -2.619 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.556 -1.233 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.166 -1.570 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.686 -4.045 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.062 -3.681 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.535 -3.752 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.160 -2.115 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.215 -3.477 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.365 -2.993 -6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.759 -4.579 -6.799 1.00 0.00 H new ATOM 1076 N GLN A 71 11.726 -2.096 0.247 1.00 0.00 N ATOM 1077 CA GLN A 71 12.248 -2.207 1.640 1.00 0.00 C ATOM 1078 C GLN A 71 11.520 -3.327 2.394 1.00 0.00 C ATOM 1079 O GLN A 71 12.062 -3.930 3.300 1.00 0.00 O ATOM 1080 CB GLN A 71 11.998 -0.882 2.365 1.00 0.00 C ATOM 1081 CG GLN A 71 12.899 -0.793 3.598 1.00 0.00 C ATOM 1082 CD GLN A 71 13.573 0.580 3.641 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.351 1.350 4.553 1.00 0.00 O ATOM 1084 NE2 GLN A 71 14.395 0.921 2.685 1.00 0.00 N ATOM 0 H GLN A 71 11.666 -1.144 -0.114 1.00 0.00 H new ATOM 0 HA GLN A 71 13.314 -2.433 1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.198 -0.046 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.951 -0.810 2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.312 -0.950 4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.653 -1.579 3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.582 0.275 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.850 1.834 2.705 1.00 0.00 H new ATOM 1093 N ARG A 72 10.284 -3.594 2.045 1.00 0.00 N ATOM 1094 CA ARG A 72 9.519 -4.654 2.767 1.00 0.00 C ATOM 1095 C ARG A 72 9.389 -5.932 1.922 1.00 0.00 C ATOM 1096 O ARG A 72 10.106 -6.890 2.131 1.00 0.00 O ATOM 1097 CB ARG A 72 8.125 -4.127 3.106 1.00 0.00 C ATOM 1098 CG ARG A 72 8.249 -2.902 4.018 1.00 0.00 C ATOM 1099 CD ARG A 72 8.743 -3.337 5.399 1.00 0.00 C ATOM 1100 NE ARG A 72 10.002 -2.608 5.729 1.00 0.00 N ATOM 1101 CZ ARG A 72 10.331 -2.404 6.977 1.00 0.00 C ATOM 1102 NH1 ARG A 72 9.944 -3.239 7.901 1.00 0.00 N ATOM 1103 NH2 ARG A 72 11.049 -1.363 7.299 1.00 0.00 N ATOM 0 H ARG A 72 9.776 -3.125 1.295 1.00 0.00 H new ATOM 0 HA ARG A 72 10.063 -4.905 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.593 -3.861 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.541 -4.904 3.600 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.942 -2.181 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.284 -2.403 4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.982 -3.129 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.919 -4.413 5.412 1.00 0.00 H new ATOM 0 HE ARG A 72 10.606 -2.269 4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.383 -4.053 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.202 -3.078 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.353 -0.710 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.307 -1.203 8.273 1.00 0.00 H new ATOM 1117 N HIS A 73 8.456 -5.983 0.998 1.00 0.00 N ATOM 1118 CA HIS A 73 8.284 -7.243 0.199 1.00 0.00 C ATOM 1119 C HIS A 73 7.678 -6.969 -1.188 1.00 0.00 C ATOM 1120 O HIS A 73 6.687 -6.276 -1.310 1.00 0.00 O ATOM 1121 CB HIS A 73 7.330 -8.175 0.945 1.00 0.00 C ATOM 1122 CG HIS A 73 6.319 -7.339 1.679 1.00 0.00 C ATOM 1123 ND1 HIS A 73 6.514 -6.935 2.990 1.00 0.00 N ATOM 1124 CD2 HIS A 73 5.131 -6.776 1.281 1.00 0.00 C ATOM 1125 CE1 HIS A 73 5.470 -6.159 3.332 1.00 0.00 C ATOM 1126 NE2 HIS A 73 4.600 -6.028 2.328 1.00 0.00 N ATOM 0 H HIS A 73 7.817 -5.223 0.765 1.00 0.00 H new ATOM 0 HA HIS A 73 9.271 -7.688 0.070 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.830 -8.844 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.883 -8.801 1.645 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.304 -7.181 3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.679 -6.895 0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.350 -5.698 4.301 1.00 0.00 H new ATOM 1134 N PRO A 74 8.278 -7.576 -2.188 1.00 0.00 N ATOM 1135 CA PRO A 74 7.738 -7.429 -3.556 1.00 0.00 C ATOM 1136 C PRO A 74 7.697 -8.806 -4.234 1.00 0.00 C ATOM 1137 O PRO A 74 6.749 -9.546 -4.080 1.00 0.00 O ATOM 1138 CB PRO A 74 8.717 -6.498 -4.271 1.00 0.00 C ATOM 1139 CG PRO A 74 10.050 -6.616 -3.511 1.00 0.00 C ATOM 1140 CD PRO A 74 9.715 -7.193 -2.125 1.00 0.00 C ATOM 0 HA PRO A 74 6.725 -7.028 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.837 -6.786 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.354 -5.470 -4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.744 -7.266 -4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.532 -5.642 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.341 -8.056 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.890 -6.456 -1.341 1.00 0.00 H new ATOM 1148 N MET A 75 8.727 -9.158 -4.966 1.00 0.00 N ATOM 1149 CA MET A 75 8.774 -10.492 -5.649 1.00 0.00 C ATOM 1150 C MET A 75 7.745 -10.555 -6.787 1.00 0.00 C ATOM 1151 O MET A 75 7.570 -11.580 -7.414 1.00 0.00 O ATOM 1152 CB MET A 75 8.494 -11.615 -4.641 1.00 0.00 C ATOM 1153 CG MET A 75 9.735 -11.851 -3.777 1.00 0.00 C ATOM 1154 SD MET A 75 9.725 -13.553 -3.164 1.00 0.00 S ATOM 1155 CE MET A 75 11.419 -13.579 -2.528 1.00 0.00 C ATOM 0 H MET A 75 9.547 -8.572 -5.122 1.00 0.00 H new ATOM 0 HA MET A 75 9.772 -10.624 -6.068 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.645 -11.349 -4.011 1.00 0.00 H new ATOM 0 HB3 MET A 75 8.225 -12.531 -5.167 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.638 -11.668 -4.360 1.00 0.00 H new ATOM 0 HG3 MET A 75 9.748 -11.152 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.630 -14.557 -2.095 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.117 -13.384 -3.343 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.532 -12.812 -1.762 1.00 0.00 H new ATOM 1165 N LEU A 76 7.067 -9.473 -7.064 1.00 0.00 N ATOM 1166 CA LEU A 76 6.058 -9.490 -8.171 1.00 0.00 C ATOM 1167 C LEU A 76 6.094 -8.151 -8.919 1.00 0.00 C ATOM 1168 O LEU A 76 6.694 -7.203 -8.453 1.00 0.00 O ATOM 1169 CB LEU A 76 4.655 -9.729 -7.596 1.00 0.00 C ATOM 1170 CG LEU A 76 4.568 -9.203 -6.167 1.00 0.00 C ATOM 1171 CD1 LEU A 76 4.259 -7.706 -6.196 1.00 0.00 C ATOM 1172 CD2 LEU A 76 3.456 -9.948 -5.425 1.00 0.00 C ATOM 0 H LEU A 76 7.165 -8.582 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 76 6.298 -10.296 -8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.911 -9.233 -8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.425 -10.794 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 76 5.516 -9.364 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.196 -7.328 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.051 -7.181 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.309 -7.540 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.389 -9.577 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.506 -9.784 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.680 -11.015 -5.409 1.00 0.00 H new ATOM 1184 N PRO A 77 5.457 -8.114 -10.068 1.00 0.00 N ATOM 1185 CA PRO A 77 5.475 -6.844 -10.831 1.00 0.00 C ATOM 1186 C PRO A 77 4.783 -5.717 -10.052 1.00 0.00 C ATOM 1187 O PRO A 77 3.950 -5.945 -9.191 1.00 0.00 O ATOM 1188 CB PRO A 77 4.745 -7.157 -12.137 1.00 0.00 C ATOM 1189 CG PRO A 77 3.874 -8.390 -11.859 1.00 0.00 C ATOM 1190 CD PRO A 77 4.487 -9.089 -10.635 1.00 0.00 C ATOM 0 HA PRO A 77 6.490 -6.490 -11.012 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.133 -6.312 -12.453 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.454 -7.355 -12.941 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.842 -8.100 -11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.860 -9.058 -12.721 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.720 -9.349 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.983 -10.017 -10.920 1.00 0.00 H new ATOM 1198 N VAL A 78 5.148 -4.496 -10.339 1.00 0.00 N ATOM 1199 CA VAL A 78 4.545 -3.345 -9.605 1.00 0.00 C ATOM 1200 C VAL A 78 4.339 -2.163 -10.558 1.00 0.00 C ATOM 1201 O VAL A 78 5.261 -1.437 -10.869 1.00 0.00 O ATOM 1202 CB VAL A 78 5.480 -2.916 -8.463 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.845 -3.280 -7.122 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.834 -3.629 -8.581 1.00 0.00 C ATOM 0 H VAL A 78 5.837 -4.246 -11.049 1.00 0.00 H new ATOM 0 HA VAL A 78 3.581 -3.652 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 78 5.635 -1.839 -8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.507 -2.976 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.889 -2.767 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.685 -4.357 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.484 -3.314 -7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.683 -4.707 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.298 -3.373 -9.533 1.00 0.00 H new ATOM 1214 N ILE A 79 3.134 -1.958 -11.017 1.00 0.00 N ATOM 1215 CA ILE A 79 2.874 -0.822 -11.946 1.00 0.00 C ATOM 1216 C ILE A 79 2.835 0.493 -11.155 1.00 0.00 C ATOM 1217 O ILE A 79 2.280 0.570 -10.076 1.00 0.00 O ATOM 1218 CB ILE A 79 1.534 -1.053 -12.668 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.772 -1.923 -13.904 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.927 0.284 -13.109 1.00 0.00 C ATOM 1221 CD1 ILE A 79 2.185 -3.331 -13.472 1.00 0.00 C ATOM 0 H ILE A 79 2.319 -2.528 -10.789 1.00 0.00 H new ATOM 0 HA ILE A 79 3.672 -0.760 -12.686 1.00 0.00 H new ATOM 0 HB ILE A 79 0.846 -1.549 -11.983 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.866 -1.969 -14.508 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.549 -1.481 -14.528 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.020 0.103 -13.618 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.755 0.912 -12.235 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.614 0.789 -13.789 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.354 -3.948 -14.355 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.103 -3.277 -12.886 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.393 -3.773 -12.867 1.00 0.00 H new ATOM 1233 N ILE A 80 3.418 1.529 -11.693 1.00 0.00 N ATOM 1234 CA ILE A 80 3.417 2.841 -10.989 1.00 0.00 C ATOM 1235 C ILE A 80 2.869 3.913 -11.932 1.00 0.00 C ATOM 1236 O ILE A 80 3.471 4.232 -12.939 1.00 0.00 O ATOM 1237 CB ILE A 80 4.846 3.199 -10.580 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.910 4.670 -10.161 1.00 0.00 C ATOM 1239 CG2 ILE A 80 5.788 2.968 -11.763 1.00 0.00 C ATOM 1240 CD1 ILE A 80 6.340 5.016 -9.739 1.00 0.00 C ATOM 0 H ILE A 80 3.897 1.522 -12.594 1.00 0.00 H new ATOM 0 HA ILE A 80 2.792 2.782 -10.098 1.00 0.00 H new ATOM 0 HB ILE A 80 5.149 2.570 -9.742 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.598 5.309 -10.987 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.221 4.855 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.807 3.223 -11.472 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.747 1.920 -12.061 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.482 3.596 -12.600 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.388 6.063 -9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.634 4.385 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.017 4.846 -10.576 1.00 0.00 H new ATOM 1252 N MET A 81 1.731 4.470 -11.621 1.00 0.00 N ATOM 1253 CA MET A 81 1.150 5.518 -12.508 1.00 0.00 C ATOM 1254 C MET A 81 2.094 6.722 -12.564 1.00 0.00 C ATOM 1255 O MET A 81 2.788 7.023 -11.615 1.00 0.00 O ATOM 1256 CB MET A 81 -0.207 5.958 -11.959 1.00 0.00 C ATOM 1257 CG MET A 81 -1.222 6.022 -13.102 1.00 0.00 C ATOM 1258 SD MET A 81 -2.449 4.709 -12.890 1.00 0.00 S ATOM 1259 CE MET A 81 -3.729 5.723 -12.111 1.00 0.00 C ATOM 0 H MET A 81 1.179 4.246 -10.793 1.00 0.00 H new ATOM 0 HA MET A 81 1.020 5.112 -13.511 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.547 5.258 -11.195 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.119 6.934 -11.481 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.713 6.995 -13.113 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.715 5.910 -14.060 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.375 5.090 -11.503 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.261 6.477 -11.478 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.323 6.214 -12.882 1.00 0.00 H new ATOM 1269 N THR A 82 2.122 7.410 -13.673 1.00 0.00 N ATOM 1270 CA THR A 82 3.018 8.594 -13.800 1.00 0.00 C ATOM 1271 C THR A 82 4.477 8.153 -13.624 1.00 0.00 C ATOM 1272 O THR A 82 4.761 7.011 -13.324 1.00 0.00 O ATOM 1273 CB THR A 82 2.623 9.651 -12.744 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.494 10.915 -13.380 1.00 0.00 O ATOM 1275 CG2 THR A 82 3.676 9.754 -11.627 1.00 0.00 C ATOM 0 H THR A 82 1.561 7.202 -14.499 1.00 0.00 H new ATOM 0 HA THR A 82 2.913 9.040 -14.789 1.00 0.00 H new ATOM 0 HB THR A 82 1.678 9.348 -12.293 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.868 11.612 -12.801 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.365 10.507 -10.902 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.774 8.789 -11.129 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.636 10.039 -12.057 1.00 0.00 H new ATOM 1283 N ALA A 83 5.401 9.056 -13.806 1.00 0.00 N ATOM 1284 CA ALA A 83 6.838 8.702 -13.646 1.00 0.00 C ATOM 1285 C ALA A 83 7.588 9.908 -13.077 1.00 0.00 C ATOM 1286 O ALA A 83 8.284 10.605 -13.787 1.00 0.00 O ATOM 1287 CB ALA A 83 7.425 8.328 -15.008 1.00 0.00 C ATOM 0 H ALA A 83 5.221 10.027 -14.060 1.00 0.00 H new ATOM 0 HA ALA A 83 6.937 7.855 -12.967 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.477 8.069 -14.892 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.884 7.474 -15.415 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.333 9.174 -15.689 1.00 0.00 H new ATOM 1293 N HIS A 84 7.446 10.168 -11.805 1.00 0.00 N ATOM 1294 CA HIS A 84 8.149 11.339 -11.211 1.00 0.00 C ATOM 1295 C HIS A 84 8.720 10.982 -9.841 1.00 0.00 C ATOM 1296 O HIS A 84 9.776 10.385 -9.757 1.00 0.00 O ATOM 1297 CB HIS A 84 7.173 12.508 -11.071 1.00 0.00 C ATOM 1298 CG HIS A 84 7.096 13.256 -12.372 1.00 0.00 C ATOM 1299 ND1 HIS A 84 7.411 14.601 -12.471 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.740 12.860 -13.637 1.00 0.00 C ATOM 1301 CE1 HIS A 84 7.241 14.964 -13.755 1.00 0.00 C ATOM 1302 NE2 HIS A 84 6.833 13.939 -14.509 1.00 0.00 N ATOM 0 H HIS A 84 6.877 9.624 -11.156 1.00 0.00 H new ATOM 0 HA HIS A 84 8.970 11.624 -11.869 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.186 12.140 -10.792 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.501 13.176 -10.274 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.434 11.862 -13.913 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.413 15.962 -14.131 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.633 13.947 -15.509 1.00 0.00 H new ATOM 1310 N SER A 85 8.073 11.373 -8.757 1.00 0.00 N ATOM 1311 CA SER A 85 8.665 11.074 -7.416 1.00 0.00 C ATOM 1312 C SER A 85 10.115 11.470 -7.510 1.00 0.00 C ATOM 1313 O SER A 85 10.987 10.879 -6.907 1.00 0.00 O ATOM 1314 CB SER A 85 8.542 9.581 -7.101 1.00 0.00 C ATOM 1315 OG SER A 85 9.039 8.826 -8.198 1.00 0.00 O ATOM 0 H SER A 85 7.184 11.873 -8.748 1.00 0.00 H new ATOM 0 HA SER A 85 8.151 11.615 -6.621 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.101 9.341 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.501 9.323 -6.909 1.00 0.00 H new ATOM 0 HG SER A 85 9.756 9.326 -8.641 1.00 0.00 H new ATOM 1321 N ASP A 86 10.367 12.452 -8.334 1.00 0.00 N ATOM 1322 CA ASP A 86 11.748 12.882 -8.564 1.00 0.00 C ATOM 1323 C ASP A 86 12.447 11.697 -9.199 1.00 0.00 C ATOM 1324 O ASP A 86 12.399 10.595 -8.669 1.00 0.00 O ATOM 1325 CB ASP A 86 12.419 13.245 -7.237 1.00 0.00 C ATOM 1326 CG ASP A 86 11.668 14.407 -6.587 1.00 0.00 C ATOM 1327 OD1 ASP A 86 11.215 15.276 -7.315 1.00 0.00 O ATOM 1328 OD2 ASP A 86 11.556 14.408 -5.373 1.00 0.00 O ATOM 0 H ASP A 86 9.659 12.970 -8.855 1.00 0.00 H new ATOM 0 HA ASP A 86 11.794 13.765 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.422 12.382 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.460 13.520 -7.407 1.00 0.00 H new ATOM 1333 N LEU A 87 13.062 11.875 -10.343 1.00 0.00 N ATOM 1334 CA LEU A 87 13.743 10.719 -11.001 1.00 0.00 C ATOM 1335 C LEU A 87 14.351 9.848 -9.895 1.00 0.00 C ATOM 1336 O LEU A 87 14.385 8.640 -9.971 1.00 0.00 O ATOM 1337 CB LEU A 87 14.824 11.250 -11.932 1.00 0.00 C ATOM 1338 CG LEU A 87 14.730 10.535 -13.283 1.00 0.00 C ATOM 1339 CD1 LEU A 87 14.812 9.023 -13.071 1.00 0.00 C ATOM 1340 CD2 LEU A 87 13.394 10.882 -13.946 1.00 0.00 C ATOM 0 H LEU A 87 13.121 12.761 -10.844 1.00 0.00 H new ATOM 0 HA LEU A 87 13.045 10.125 -11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.706 12.325 -12.068 1.00 0.00 H new ATOM 0 HB3 LEU A 87 15.808 11.091 -11.492 1.00 0.00 H new ATOM 0 HG LEU A 87 15.553 10.856 -13.922 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.745 8.516 -14.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.760 8.773 -12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.989 8.700 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.323 10.375 -14.908 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.574 10.559 -13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.332 11.960 -14.098 1.00 0.00 H new ATOM 1352 N ASP A 88 14.754 10.489 -8.826 1.00 0.00 N ATOM 1353 CA ASP A 88 15.280 9.771 -7.640 1.00 0.00 C ATOM 1354 C ASP A 88 14.487 8.483 -7.436 1.00 0.00 C ATOM 1355 O ASP A 88 14.903 7.413 -7.833 1.00 0.00 O ATOM 1356 CB ASP A 88 15.057 10.663 -6.415 1.00 0.00 C ATOM 1357 CG ASP A 88 16.403 11.146 -5.874 1.00 0.00 C ATOM 1358 OD1 ASP A 88 17.322 11.283 -6.665 1.00 0.00 O ATOM 1359 OD2 ASP A 88 16.493 11.371 -4.678 1.00 0.00 O ATOM 0 H ASP A 88 14.737 11.504 -8.731 1.00 0.00 H new ATOM 0 HA ASP A 88 16.336 9.540 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.435 11.517 -6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.522 10.110 -5.643 1.00 0.00 H new ATOM 1364 N ALA A 89 13.336 8.587 -6.820 1.00 0.00 N ATOM 1365 CA ALA A 89 12.502 7.379 -6.592 1.00 0.00 C ATOM 1366 C ALA A 89 12.493 6.561 -7.875 1.00 0.00 C ATOM 1367 O ALA A 89 12.511 5.347 -7.850 1.00 0.00 O ATOM 1368 CB ALA A 89 11.074 7.794 -6.231 1.00 0.00 C ATOM 0 H ALA A 89 12.942 9.459 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 89 12.910 6.789 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.467 6.904 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.089 8.397 -5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.647 8.377 -7.047 1.00 0.00 H new ATOM 1374 N ALA A 90 12.491 7.214 -9.005 1.00 0.00 N ATOM 1375 CA ALA A 90 12.511 6.449 -10.281 1.00 0.00 C ATOM 1376 C ALA A 90 13.812 5.640 -10.338 1.00 0.00 C ATOM 1377 O ALA A 90 13.868 4.514 -9.887 1.00 0.00 O ATOM 1378 CB ALA A 90 12.445 7.414 -11.465 1.00 0.00 C ATOM 0 H ALA A 90 12.477 8.230 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 90 11.652 5.779 -10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.460 6.848 -12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.525 7.996 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.303 8.086 -11.435 1.00 0.00 H new ATOM 1384 N VAL A 91 14.850 6.206 -10.900 1.00 0.00 N ATOM 1385 CA VAL A 91 16.154 5.486 -11.004 1.00 0.00 C ATOM 1386 C VAL A 91 16.388 4.612 -9.766 1.00 0.00 C ATOM 1387 O VAL A 91 16.468 3.405 -9.858 1.00 0.00 O ATOM 1388 CB VAL A 91 17.283 6.518 -11.111 1.00 0.00 C ATOM 1389 CG1 VAL A 91 18.634 5.841 -10.854 1.00 0.00 C ATOM 1390 CG2 VAL A 91 17.285 7.125 -12.518 1.00 0.00 C ATOM 0 H VAL A 91 14.849 7.146 -11.295 1.00 0.00 H new ATOM 0 HA VAL A 91 16.137 4.846 -11.886 1.00 0.00 H new ATOM 0 HB VAL A 91 17.124 7.301 -10.369 1.00 0.00 H new ATOM 0 HG11 VAL A 91 19.432 6.580 -10.932 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.639 5.406 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 91 18.794 5.056 -11.593 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.087 7.859 -12.596 1.00 0.00 H new ATOM 0 HG22 VAL A 91 17.442 6.337 -13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.328 7.612 -12.706 1.00 0.00 H new ATOM 1400 N SER A 92 16.512 5.217 -8.612 1.00 0.00 N ATOM 1401 CA SER A 92 16.761 4.425 -7.370 1.00 0.00 C ATOM 1402 C SER A 92 15.452 3.819 -6.853 1.00 0.00 C ATOM 1403 O SER A 92 14.559 3.502 -7.614 1.00 0.00 O ATOM 1404 CB SER A 92 17.354 5.342 -6.298 1.00 0.00 C ATOM 1405 OG SER A 92 18.455 6.054 -6.846 1.00 0.00 O ATOM 0 H SER A 92 16.451 6.226 -8.476 1.00 0.00 H new ATOM 0 HA SER A 92 17.458 3.618 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.597 6.040 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.677 4.754 -5.439 1.00 0.00 H new ATOM 0 HG SER A 92 18.836 6.644 -6.162 1.00 0.00 H new ATOM 1411 N ALA A 93 15.340 3.653 -5.559 1.00 0.00 N ATOM 1412 CA ALA A 93 14.100 3.065 -4.971 1.00 0.00 C ATOM 1413 C ALA A 93 13.984 1.589 -5.367 1.00 0.00 C ATOM 1414 O ALA A 93 14.422 0.713 -4.650 1.00 0.00 O ATOM 1415 CB ALA A 93 12.873 3.836 -5.466 1.00 0.00 C ATOM 0 H ALA A 93 16.060 3.902 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 93 14.152 3.138 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.972 3.402 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.954 4.880 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.819 3.775 -6.553 1.00 0.00 H new ATOM 1421 N TYR A 94 13.398 1.304 -6.498 1.00 0.00 N ATOM 1422 CA TYR A 94 13.260 -0.118 -6.921 1.00 0.00 C ATOM 1423 C TYR A 94 14.237 -0.409 -8.060 1.00 0.00 C ATOM 1424 O TYR A 94 14.527 -1.549 -8.368 1.00 0.00 O ATOM 1425 CB TYR A 94 11.828 -0.376 -7.390 1.00 0.00 C ATOM 1426 CG TYR A 94 11.288 0.852 -8.081 1.00 0.00 C ATOM 1427 CD1 TYR A 94 10.697 1.878 -7.331 1.00 0.00 C ATOM 1428 CD2 TYR A 94 11.373 0.964 -9.473 1.00 0.00 C ATOM 1429 CE1 TYR A 94 10.193 3.014 -7.975 1.00 0.00 C ATOM 1430 CE2 TYR A 94 10.869 2.099 -10.116 1.00 0.00 C ATOM 1431 CZ TYR A 94 10.280 3.124 -9.368 1.00 0.00 C ATOM 1432 OH TYR A 94 9.782 4.244 -10.005 1.00 0.00 O ATOM 0 H TYR A 94 13.011 1.991 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 94 13.485 -0.771 -6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.806 -1.227 -8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 94 11.197 -0.633 -6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.630 1.792 -6.256 1.00 0.00 H new ATOM 0 HD2 TYR A 94 11.828 0.173 -10.051 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.737 3.805 -7.398 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.935 2.184 -11.191 1.00 0.00 H new ATOM 0 HH TYR A 94 10.139 4.287 -10.917 1.00 0.00 H new ATOM 1442 N GLN A 95 14.754 0.612 -8.683 1.00 0.00 N ATOM 1443 CA GLN A 95 15.722 0.397 -9.795 1.00 0.00 C ATOM 1444 C GLN A 95 15.210 -0.716 -10.722 1.00 0.00 C ATOM 1445 O GLN A 95 14.420 -0.472 -11.612 1.00 0.00 O ATOM 1446 CB GLN A 95 17.083 0.019 -9.201 1.00 0.00 C ATOM 1447 CG GLN A 95 17.495 1.077 -8.176 1.00 0.00 C ATOM 1448 CD GLN A 95 19.014 1.242 -8.185 1.00 0.00 C ATOM 1449 OE1 GLN A 95 19.689 0.739 -9.062 1.00 0.00 O ATOM 1450 NE2 GLN A 95 19.587 1.932 -7.237 1.00 0.00 N ATOM 0 H GLN A 95 14.548 1.588 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 95 15.827 1.310 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 95 17.027 -0.961 -8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 95 17.831 -0.051 -9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 95 17.015 2.028 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.158 0.784 -7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 95 19.022 2.354 -6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 95 20.600 2.049 -7.232 1.00 0.00 H new ATOM 1459 N GLN A 96 15.645 -1.933 -10.527 1.00 0.00 N ATOM 1460 CA GLN A 96 15.171 -3.040 -11.404 1.00 0.00 C ATOM 1461 C GLN A 96 13.828 -3.561 -10.883 1.00 0.00 C ATOM 1462 O GLN A 96 13.641 -3.745 -9.697 1.00 0.00 O ATOM 1463 CB GLN A 96 16.202 -4.172 -11.396 1.00 0.00 C ATOM 1464 CG GLN A 96 16.681 -4.437 -12.825 1.00 0.00 C ATOM 1465 CD GLN A 96 17.381 -5.797 -12.887 1.00 0.00 C ATOM 1466 OE1 GLN A 96 17.279 -6.500 -13.872 1.00 0.00 O ATOM 1467 NE2 GLN A 96 18.091 -6.199 -11.868 1.00 0.00 N ATOM 0 H GLN A 96 16.306 -2.206 -9.800 1.00 0.00 H new ATOM 0 HA GLN A 96 15.046 -2.673 -12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.047 -3.904 -10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 96 15.762 -5.076 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.835 -4.420 -13.512 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.365 -3.650 -13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.176 -5.608 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.560 -7.104 -11.899 1.00 0.00 H new ATOM 1476 N GLY A 97 12.890 -3.797 -11.760 1.00 0.00 N ATOM 1477 CA GLY A 97 11.560 -4.303 -11.312 1.00 0.00 C ATOM 1478 C GLY A 97 10.832 -4.959 -12.488 1.00 0.00 C ATOM 1479 O GLY A 97 11.377 -5.100 -13.564 1.00 0.00 O ATOM 0 H GLY A 97 12.987 -3.662 -12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.688 -5.023 -10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.963 -3.482 -10.915 1.00 0.00 H new ATOM 1483 N ALA A 98 9.606 -5.363 -12.289 1.00 0.00 N ATOM 1484 CA ALA A 98 8.850 -6.014 -13.397 1.00 0.00 C ATOM 1485 C ALA A 98 7.566 -5.229 -13.683 1.00 0.00 C ATOM 1486 O ALA A 98 6.549 -5.435 -13.050 1.00 0.00 O ATOM 1487 CB ALA A 98 8.491 -7.445 -12.997 1.00 0.00 C ATOM 0 H ALA A 98 9.097 -5.271 -11.410 1.00 0.00 H new ATOM 0 HA ALA A 98 9.470 -6.028 -14.293 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.938 -7.921 -13.807 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.404 -8.008 -12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.875 -7.428 -12.098 1.00 0.00 H new ATOM 1493 N PHE A 99 7.613 -4.339 -14.645 1.00 0.00 N ATOM 1494 CA PHE A 99 6.410 -3.531 -15.016 1.00 0.00 C ATOM 1495 C PHE A 99 6.854 -2.327 -15.851 1.00 0.00 C ATOM 1496 O PHE A 99 8.011 -2.194 -16.197 1.00 0.00 O ATOM 1497 CB PHE A 99 5.667 -3.032 -13.770 1.00 0.00 C ATOM 1498 CG PHE A 99 6.581 -2.180 -12.920 1.00 0.00 C ATOM 1499 CD1 PHE A 99 7.411 -2.775 -11.962 1.00 0.00 C ATOM 1500 CD2 PHE A 99 6.581 -0.789 -13.077 1.00 0.00 C ATOM 1501 CE1 PHE A 99 8.243 -1.980 -11.166 1.00 0.00 C ATOM 1502 CE2 PHE A 99 7.410 0.006 -12.279 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.243 -0.589 -11.324 1.00 0.00 C ATOM 0 H PHE A 99 8.447 -4.136 -15.196 1.00 0.00 H new ATOM 0 HA PHE A 99 5.733 -4.166 -15.588 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.792 -2.454 -14.067 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.306 -3.881 -13.189 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.409 -3.848 -11.837 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.940 -0.329 -13.815 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.885 -2.440 -10.429 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.408 1.079 -12.400 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.885 0.025 -10.710 1.00 0.00 H new ATOM 1513 N ASP A 100 5.946 -1.447 -16.176 1.00 0.00 N ATOM 1514 CA ASP A 100 6.322 -0.255 -16.987 1.00 0.00 C ATOM 1515 C ASP A 100 5.504 0.955 -16.529 1.00 0.00 C ATOM 1516 O ASP A 100 4.307 0.870 -16.343 1.00 0.00 O ATOM 1517 CB ASP A 100 6.035 -0.531 -18.464 1.00 0.00 C ATOM 1518 CG ASP A 100 7.327 -0.395 -19.273 1.00 0.00 C ATOM 1519 OD1 ASP A 100 7.648 0.717 -19.659 1.00 0.00 O ATOM 1520 OD2 ASP A 100 7.973 -1.406 -19.495 1.00 0.00 O ATOM 0 H ASP A 100 4.961 -1.502 -15.915 1.00 0.00 H new ATOM 0 HA ASP A 100 7.384 -0.048 -16.854 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.623 -1.533 -18.584 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.286 0.168 -18.836 1.00 0.00 H new ATOM 1525 N TYR A 101 6.141 2.080 -16.344 1.00 0.00 N ATOM 1526 CA TYR A 101 5.396 3.292 -15.899 1.00 0.00 C ATOM 1527 C TYR A 101 4.091 3.408 -16.691 1.00 0.00 C ATOM 1528 O TYR A 101 4.095 3.473 -17.903 1.00 0.00 O ATOM 1529 CB TYR A 101 6.252 4.540 -16.146 1.00 0.00 C ATOM 1530 CG TYR A 101 7.465 4.512 -15.246 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.340 4.842 -13.891 1.00 0.00 C ATOM 1532 CD2 TYR A 101 8.714 4.153 -15.767 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.465 4.814 -13.058 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.839 4.126 -14.934 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.713 4.456 -13.580 1.00 0.00 C ATOM 1536 OH TYR A 101 10.822 4.425 -12.759 1.00 0.00 O ATOM 0 H TYR A 101 7.143 2.212 -16.482 1.00 0.00 H new ATOM 0 HA TYR A 101 5.172 3.209 -14.835 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.563 4.579 -17.190 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.666 5.439 -15.954 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.376 5.118 -13.489 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.810 3.897 -16.812 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.370 5.069 -12.013 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.803 3.851 -15.336 1.00 0.00 H new ATOM 0 HH TYR A 101 11.607 4.156 -13.280 1.00 0.00 H new ATOM 1546 N LEU A 102 2.974 3.437 -16.014 1.00 0.00 N ATOM 1547 CA LEU A 102 1.670 3.553 -16.729 1.00 0.00 C ATOM 1548 C LEU A 102 1.189 5.005 -16.664 1.00 0.00 C ATOM 1549 O LEU A 102 0.850 5.499 -15.607 1.00 0.00 O ATOM 1550 CB LEU A 102 0.635 2.642 -16.062 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.097 1.822 -17.130 1.00 0.00 C ATOM 1552 CD1 LEU A 102 0.119 0.330 -16.871 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.596 2.128 -17.073 1.00 0.00 C ATOM 0 H LEU A 102 2.908 3.385 -14.997 1.00 0.00 H new ATOM 0 HA LEU A 102 1.796 3.253 -17.769 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.126 1.976 -15.352 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.079 3.240 -15.496 1.00 0.00 H new ATOM 0 HG LEU A 102 0.295 2.084 -18.113 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.403 -0.251 -17.632 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.185 0.105 -16.910 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.271 0.071 -15.887 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.116 1.544 -17.833 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.983 1.868 -16.088 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.758 3.190 -17.258 1.00 0.00 H new ATOM 1565 N PRO A 103 1.180 5.644 -17.803 1.00 0.00 N ATOM 1566 CA PRO A 103 0.731 7.053 -17.826 1.00 0.00 C ATOM 1567 C PRO A 103 -0.771 7.129 -18.111 1.00 0.00 C ATOM 1568 O PRO A 103 -1.393 6.155 -18.489 1.00 0.00 O ATOM 1569 CB PRO A 103 1.528 7.690 -18.964 1.00 0.00 C ATOM 1570 CG PRO A 103 1.948 6.537 -19.894 1.00 0.00 C ATOM 1571 CD PRO A 103 1.859 5.247 -19.059 1.00 0.00 C ATOM 0 HA PRO A 103 0.893 7.559 -16.874 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.924 8.422 -19.500 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.401 8.218 -18.580 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.293 6.482 -20.764 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.961 6.689 -20.267 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.296 4.476 -19.584 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.849 4.838 -18.859 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.358 8.280 -17.932 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.819 8.424 -18.190 1.00 0.00 C ATOM 1581 C LYS A 104 -3.032 8.950 -19.616 1.00 0.00 C ATOM 1582 O LYS A 104 -2.136 9.536 -20.189 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.417 9.413 -17.186 1.00 0.00 C ATOM 1584 CG LYS A 104 -2.672 9.308 -15.854 1.00 0.00 C ATOM 1585 CD LYS A 104 -1.773 10.532 -15.671 1.00 0.00 C ATOM 1586 CE LYS A 104 -2.639 11.767 -15.421 1.00 0.00 C ATOM 1587 NZ LYS A 104 -2.487 12.719 -16.557 1.00 0.00 N ATOM 0 H LYS A 104 -0.888 9.129 -17.618 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.308 7.456 -18.081 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.346 10.429 -17.575 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.476 9.202 -17.039 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.384 9.241 -15.032 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.073 8.398 -15.832 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.093 10.375 -14.833 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.157 10.680 -16.558 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.684 11.476 -15.314 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.345 12.248 -14.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.567 13.695 -16.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.555 12.586 -16.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.232 12.542 -17.260 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.211 8.729 -20.153 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.269 8.007 -19.405 1.00 0.00 C ATOM 1603 C PRO A 105 -5.355 6.555 -19.882 1.00 0.00 C ATOM 1604 O PRO A 105 -4.808 6.194 -20.905 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.554 8.762 -19.744 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.290 9.489 -21.077 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.763 9.579 -21.233 1.00 0.00 C ATOM 0 HA PRO A 105 -5.079 7.974 -18.332 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.396 8.075 -19.836 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.807 9.473 -18.957 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.733 8.944 -21.910 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.738 10.483 -21.072 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.446 9.225 -22.214 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.418 10.609 -21.139 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.039 5.720 -19.151 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.161 4.293 -19.563 1.00 0.00 C ATOM 1617 C PHE A 106 -7.520 3.750 -19.119 1.00 0.00 C ATOM 1618 O PHE A 106 -8.269 4.414 -18.432 1.00 0.00 O ATOM 1619 CB PHE A 106 -5.047 3.477 -18.903 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.184 3.556 -17.401 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -4.787 4.715 -16.722 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.705 2.470 -16.688 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -4.910 4.786 -15.330 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.829 2.542 -15.296 1.00 0.00 C ATOM 1625 CZ PHE A 106 -5.432 3.699 -14.617 1.00 0.00 C ATOM 0 H PHE A 106 -6.520 5.964 -18.285 1.00 0.00 H new ATOM 0 HA PHE A 106 -6.075 4.218 -20.647 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -5.101 2.438 -19.229 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.073 3.857 -19.210 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.386 5.553 -17.273 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.011 1.577 -17.212 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -4.603 5.679 -14.805 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.231 1.704 -14.746 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.528 3.754 -13.543 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.841 2.545 -19.502 1.00 0.00 N ATOM 1636 CA ASP A 107 -9.145 1.958 -19.101 1.00 0.00 C ATOM 1637 C ASP A 107 -8.985 1.278 -17.738 1.00 0.00 C ATOM 1638 O ASP A 107 -8.114 1.622 -16.965 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.560 0.924 -20.149 1.00 0.00 C ATOM 1640 CG ASP A 107 -11.084 0.797 -20.177 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.747 1.782 -19.896 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.563 -0.284 -20.480 1.00 0.00 O ATOM 0 H ASP A 107 -7.253 1.942 -20.077 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.907 2.734 -19.031 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.193 1.221 -21.131 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.110 -0.042 -19.919 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.806 0.313 -17.438 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.680 -0.385 -16.130 1.00 0.00 C ATOM 1649 C ILE A 108 -9.457 -1.871 -16.389 1.00 0.00 C ATOM 1650 O ILE A 108 -8.626 -2.496 -15.769 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.956 -0.159 -15.301 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.774 1.092 -14.442 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.224 -1.357 -14.384 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -11.822 2.133 -14.831 1.00 0.00 C ATOM 0 H ILE A 108 -10.558 -0.022 -18.040 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.834 0.010 -15.568 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.801 -0.039 -15.980 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.872 0.839 -13.386 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.772 1.499 -14.581 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.131 -1.177 -13.806 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.350 -2.256 -14.987 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.382 -1.491 -13.705 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.693 3.026 -14.219 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.703 2.394 -15.883 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.819 1.723 -14.670 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.175 -2.440 -17.309 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.975 -3.873 -17.605 1.00 0.00 C ATOM 1668 C ASP A 109 -8.789 -3.983 -18.542 1.00 0.00 C ATOM 1669 O ASP A 109 -7.997 -4.898 -18.471 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.222 -4.406 -18.291 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.244 -5.934 -18.218 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.588 -6.475 -17.343 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.917 -6.538 -19.038 1.00 0.00 O ATOM 0 H ASP A 109 -10.890 -1.973 -17.867 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.794 -4.445 -16.695 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.113 -3.998 -17.814 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.241 -4.083 -19.332 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.649 -3.030 -19.406 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.496 -3.046 -20.330 1.00 0.00 C ATOM 1680 C GLU A 110 -6.230 -3.053 -19.474 1.00 0.00 C ATOM 1681 O GLU A 110 -5.258 -3.719 -19.779 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.536 -1.791 -21.202 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.365 -1.806 -22.186 1.00 0.00 C ATOM 1684 CD GLU A 110 -6.284 -0.458 -22.906 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -5.673 0.446 -22.362 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -6.835 -0.355 -23.989 1.00 0.00 O ATOM 0 H GLU A 110 -9.284 -2.239 -19.513 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.519 -3.921 -20.980 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.479 -1.745 -21.746 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.485 -0.900 -20.576 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.433 -2.003 -21.656 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.496 -2.610 -22.911 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.250 -2.325 -18.385 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.081 -2.283 -17.483 1.00 0.00 C ATOM 1695 C ALA A 111 -5.079 -3.533 -16.596 1.00 0.00 C ATOM 1696 O ALA A 111 -4.253 -4.410 -16.749 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.209 -1.042 -16.610 1.00 0.00 C ATOM 0 H ALA A 111 -7.041 -1.754 -18.088 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.155 -2.252 -18.057 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.357 -0.985 -15.932 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.231 -0.154 -17.241 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.131 -1.098 -16.031 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.984 -3.597 -15.648 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.033 -4.763 -14.716 1.00 0.00 C ATOM 1705 C VAL A 112 -5.697 -6.056 -15.472 1.00 0.00 C ATOM 1706 O VAL A 112 -4.830 -6.809 -15.083 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.448 -4.827 -14.093 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -8.182 -6.119 -14.475 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.326 -4.758 -12.569 1.00 0.00 C ATOM 0 H VAL A 112 -6.695 -2.885 -15.481 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.296 -4.648 -13.922 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.023 -3.984 -14.477 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.171 -6.124 -14.017 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.283 -6.173 -15.559 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.614 -6.979 -14.120 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.319 -4.803 -12.122 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.730 -5.598 -12.213 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -6.842 -3.824 -12.285 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.390 -6.309 -16.548 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.137 -7.545 -17.344 1.00 0.00 C ATOM 1721 C ALA A 113 -4.697 -7.550 -17.858 1.00 0.00 C ATOM 1722 O ALA A 113 -3.929 -8.438 -17.547 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.096 -7.583 -18.536 1.00 0.00 C ATOM 0 H ALA A 113 -7.128 -5.707 -16.914 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.296 -8.417 -16.710 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.914 -8.485 -19.121 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.125 -7.585 -18.175 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.933 -6.706 -19.162 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.337 -6.569 -18.653 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.956 -6.499 -19.210 1.00 0.00 C ATOM 1731 C LEU A 114 -1.963 -7.039 -18.188 1.00 0.00 C ATOM 1732 O LEU A 114 -1.100 -7.837 -18.495 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.644 -5.032 -19.505 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.197 -4.874 -19.990 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.242 -4.919 -18.796 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.851 -6.005 -20.963 1.00 0.00 C ATOM 0 H LEU A 114 -4.952 -5.807 -18.940 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.881 -7.095 -20.119 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.330 -4.654 -20.263 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.800 -4.434 -18.607 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.095 -3.915 -20.498 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.784 -4.806 -19.146 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.482 -4.108 -18.108 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.347 -5.874 -18.282 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.177 -5.889 -21.305 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.959 -6.965 -20.458 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.524 -5.967 -21.819 1.00 0.00 H new ATOM 1748 N VAL A 115 -2.098 -6.614 -16.967 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.186 -7.102 -15.901 1.00 0.00 C ATOM 1750 C VAL A 115 -1.449 -8.598 -15.683 1.00 0.00 C ATOM 1751 O VAL A 115 -0.544 -9.405 -15.739 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.440 -6.287 -14.613 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.842 -7.194 -13.443 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.165 -5.529 -14.240 1.00 0.00 C ATOM 0 H VAL A 115 -2.805 -5.946 -16.660 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.142 -6.971 -16.185 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.259 -5.594 -14.806 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.013 -6.587 -12.554 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.756 -7.731 -13.696 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.043 -7.909 -13.246 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.337 -4.952 -13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.644 -6.239 -14.070 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.108 -4.855 -15.052 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.683 -8.957 -15.419 1.00 0.00 N ATOM 1765 CA GLU A 116 -3.031 -10.393 -15.177 1.00 0.00 C ATOM 1766 C GLU A 116 -2.151 -11.294 -16.045 1.00 0.00 C ATOM 1767 O GLU A 116 -1.698 -12.337 -15.619 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.505 -10.619 -15.533 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.786 -12.120 -15.657 1.00 0.00 C ATOM 1770 CD GLU A 116 -6.272 -12.384 -15.407 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -6.768 -11.940 -14.384 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -6.888 -13.025 -16.242 1.00 0.00 O ATOM 0 H GLU A 116 -3.470 -8.311 -15.360 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.863 -10.636 -14.128 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.145 -10.182 -14.766 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.743 -10.117 -16.471 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.505 -12.472 -16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.182 -12.674 -14.939 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.903 -10.891 -17.259 1.00 0.00 N ATOM 1780 CA ARG A 117 -1.049 -11.711 -18.159 1.00 0.00 C ATOM 1781 C ARG A 117 0.416 -11.518 -17.776 1.00 0.00 C ATOM 1782 O ARG A 117 1.159 -12.467 -17.628 1.00 0.00 O ATOM 1783 CB ARG A 117 -1.266 -11.268 -19.609 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.762 -11.267 -19.926 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.966 -11.168 -21.438 1.00 0.00 C ATOM 1786 NE ARG A 117 -2.679 -12.490 -22.064 1.00 0.00 N ATOM 1787 CZ ARG A 117 -3.468 -12.960 -22.989 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -4.178 -12.143 -23.719 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -3.549 -14.247 -23.187 1.00 0.00 N ATOM 0 H ARG A 117 -2.257 -10.026 -17.667 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.314 -12.764 -18.060 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.851 -10.272 -19.762 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.740 -11.940 -20.288 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.225 -12.177 -19.545 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.249 -10.429 -19.428 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.989 -10.863 -21.659 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.309 -10.405 -21.856 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.864 -13.028 -21.768 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -4.115 -11.137 -23.566 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -4.795 -12.511 -24.443 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -2.995 -14.886 -22.618 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.167 -14.614 -23.911 1.00 0.00 H new ATOM 1803 N ALA A 118 0.838 -10.296 -17.603 1.00 0.00 N ATOM 1804 CA ALA A 118 2.253 -10.053 -17.217 1.00 0.00 C ATOM 1805 C ALA A 118 2.582 -10.901 -15.989 1.00 0.00 C ATOM 1806 O ALA A 118 3.415 -11.784 -16.041 1.00 0.00 O ATOM 1807 CB ALA A 118 2.445 -8.570 -16.886 1.00 0.00 C ATOM 0 H ALA A 118 0.265 -9.459 -17.712 1.00 0.00 H new ATOM 0 HA ALA A 118 2.915 -10.324 -18.040 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.482 -8.392 -16.603 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.199 -7.967 -17.760 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.791 -8.294 -16.059 1.00 0.00 H new ATOM 1813 N ILE A 119 1.937 -10.626 -14.882 1.00 0.00 N ATOM 1814 CA ILE A 119 2.194 -11.392 -13.633 1.00 0.00 C ATOM 1815 C ILE A 119 2.485 -12.858 -13.962 1.00 0.00 C ATOM 1816 O ILE A 119 3.361 -13.472 -13.385 1.00 0.00 O ATOM 1817 CB ILE A 119 0.945 -11.324 -12.757 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.465 -9.875 -12.648 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.267 -11.862 -11.359 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.574 -9.770 -11.529 1.00 0.00 C ATOM 0 H ILE A 119 1.234 -9.892 -14.794 1.00 0.00 H new ATOM 0 HA ILE A 119 3.053 -10.964 -13.117 1.00 0.00 H new ATOM 0 HB ILE A 119 0.159 -11.930 -13.208 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.308 -9.215 -12.441 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.032 -9.551 -13.594 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.374 -11.813 -10.736 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.599 -12.897 -11.435 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.057 -11.259 -10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.919 -8.739 -11.448 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.420 -10.419 -11.756 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.124 -10.077 -10.585 1.00 0.00 H new ATOM 1832 N SER A 120 1.749 -13.426 -14.881 1.00 0.00 N ATOM 1833 CA SER A 120 1.979 -14.853 -15.240 1.00 0.00 C ATOM 1834 C SER A 120 2.641 -14.937 -16.616 1.00 0.00 C ATOM 1835 O SER A 120 2.117 -15.540 -17.531 1.00 0.00 O ATOM 1836 CB SER A 120 0.641 -15.589 -15.270 1.00 0.00 C ATOM 1837 OG SER A 120 -0.245 -14.989 -14.333 1.00 0.00 O ATOM 0 H SER A 120 1.000 -12.963 -15.397 1.00 0.00 H new ATOM 0 HA SER A 120 2.632 -15.313 -14.499 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.212 -15.548 -16.271 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.786 -16.642 -15.028 1.00 0.00 H new ATOM 0 HG SER A 120 -0.664 -14.201 -14.738 1.00 0.00 H new ATOM 1843 N HIS A 121 3.790 -14.339 -16.770 1.00 0.00 N ATOM 1844 CA HIS A 121 4.485 -14.389 -18.087 1.00 0.00 C ATOM 1845 C HIS A 121 5.825 -15.104 -17.923 1.00 0.00 C ATOM 1846 O HIS A 121 6.405 -15.584 -18.877 1.00 0.00 O ATOM 1847 CB HIS A 121 4.726 -12.967 -18.595 1.00 0.00 C ATOM 1848 CG HIS A 121 5.602 -13.017 -19.816 1.00 0.00 C ATOM 1849 ND1 HIS A 121 6.890 -12.505 -19.826 1.00 0.00 N ATOM 1850 CD2 HIS A 121 5.390 -13.520 -21.076 1.00 0.00 C ATOM 1851 CE1 HIS A 121 7.399 -12.710 -21.054 1.00 0.00 C ATOM 1852 NE2 HIS A 121 6.526 -13.325 -21.856 1.00 0.00 N ATOM 0 H HIS A 121 4.278 -13.818 -16.041 1.00 0.00 H new ATOM 0 HA HIS A 121 3.866 -14.928 -18.804 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.776 -12.488 -18.834 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.199 -12.366 -17.818 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.480 -13.995 -21.411 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.393 -12.413 -21.355 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.662 -13.594 -22.830 1.00 0.00 H new ATOM 1860 N TYR A 122 6.322 -15.180 -16.718 1.00 0.00 N ATOM 1861 CA TYR A 122 7.619 -15.862 -16.485 1.00 0.00 C ATOM 1862 C TYR A 122 7.405 -17.379 -16.494 1.00 0.00 C ATOM 1863 O TYR A 122 8.344 -18.148 -16.466 1.00 0.00 O ATOM 1864 CB TYR A 122 8.169 -15.428 -15.127 1.00 0.00 C ATOM 1865 CG TYR A 122 8.472 -13.950 -15.156 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.440 -13.021 -14.974 1.00 0.00 C ATOM 1867 CD2 TYR A 122 9.784 -13.507 -15.362 1.00 0.00 C ATOM 1868 CE1 TYR A 122 7.720 -11.650 -14.999 1.00 0.00 C ATOM 1869 CE2 TYR A 122 10.063 -12.135 -15.385 1.00 0.00 C ATOM 1870 CZ TYR A 122 9.031 -11.206 -15.204 1.00 0.00 C ATOM 1871 OH TYR A 122 9.306 -9.854 -15.228 1.00 0.00 O ATOM 0 H TYR A 122 5.880 -14.796 -15.883 1.00 0.00 H new ATOM 0 HA TYR A 122 8.326 -15.595 -17.270 1.00 0.00 H new ATOM 0 HB2 TYR A 122 7.444 -15.646 -14.343 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.072 -15.991 -14.892 1.00 0.00 H new ATOM 0 HD1 TYR A 122 6.428 -13.363 -14.814 1.00 0.00 H new ATOM 0 HD2 TYR A 122 10.580 -14.223 -15.503 1.00 0.00 H new ATOM 0 HE1 TYR A 122 6.923 -10.934 -14.860 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.075 -11.793 -15.543 1.00 0.00 H new ATOM 0 HH TYR A 122 10.265 -9.718 -15.380 1.00 0.00 H new ATOM 1881 N GLN A 123 6.173 -17.813 -16.535 1.00 0.00 N ATOM 1882 CA GLN A 123 5.896 -19.276 -16.548 1.00 0.00 C ATOM 1883 C GLN A 123 6.742 -19.946 -17.632 1.00 0.00 C ATOM 1884 O GLN A 123 7.194 -21.063 -17.481 1.00 0.00 O ATOM 1885 CB GLN A 123 4.414 -19.510 -16.842 1.00 0.00 C ATOM 1886 CG GLN A 123 3.698 -19.936 -15.558 1.00 0.00 C ATOM 1887 CD GLN A 123 2.280 -19.363 -15.549 1.00 0.00 C ATOM 1888 OE1 GLN A 123 1.822 -18.861 -14.542 1.00 0.00 O ATOM 1889 NE2 GLN A 123 1.561 -19.416 -16.637 1.00 0.00 N ATOM 0 H GLN A 123 5.347 -17.215 -16.560 1.00 0.00 H new ATOM 0 HA GLN A 123 6.147 -19.702 -15.577 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.963 -18.600 -17.237 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.301 -20.279 -17.606 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.662 -21.023 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.250 -19.582 -14.687 1.00 0.00 H new ATOM 0 HE21 GLN A 123 1.946 -19.837 -17.482 1.00 0.00 H new ATOM 0 HE22 GLN A 123 0.614 -19.036 -16.642 1.00 0.00 H new ATOM 1898 N GLU A 124 6.960 -19.270 -18.726 1.00 0.00 N ATOM 1899 CA GLU A 124 7.778 -19.868 -19.818 1.00 0.00 C ATOM 1900 C GLU A 124 9.247 -19.492 -19.618 1.00 0.00 C ATOM 1901 O GLU A 124 9.925 -19.281 -20.610 1.00 0.00 O ATOM 1902 CB GLU A 124 7.295 -19.337 -21.170 1.00 0.00 C ATOM 1903 CG GLU A 124 7.736 -20.291 -22.282 1.00 0.00 C ATOM 1904 CD GLU A 124 6.766 -21.471 -22.360 1.00 0.00 C ATOM 1905 OE1 GLU A 124 6.004 -21.648 -21.424 1.00 0.00 O ATOM 1906 OE2 GLU A 124 6.802 -22.178 -23.353 1.00 0.00 O ATOM 1907 OXT GLU A 124 9.669 -19.425 -18.475 1.00 0.00 O ATOM 0 H GLU A 124 6.608 -18.331 -18.911 1.00 0.00 H new ATOM 0 HA GLU A 124 7.673 -20.953 -19.797 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.209 -19.242 -21.168 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.702 -18.342 -21.348 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.763 -19.765 -23.237 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.747 -20.650 -22.087 1.00 0.00 H new TER 1914 GLU A 124