USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 960 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 82 THR OG1 : rot 143:sc= 0.1 USER MOD Set 1.2: A 104 LYS NZ :NH3+ 140:sc= 0.542 (180deg=0.103) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 95 GLN :FLIP amide:sc= -2.12 F(o=-4.1,f=-2.1) USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= -0.141 USER MOD Set 3.2: A 73 HIS : no HE2:sc= -3.78! C(o=-3.9!,f=-5.6!) USER MOD Set 4.1: A 37 ASN :FLIP amide:sc= -1.33 F(o=-4.2!,f=-1.3) USER MOD Set 4.2: A 57 MET CE :methyl -170:sc=-0.00342 (180deg=0) USER MOD Single : A 1 MET CE :methyl -138:sc= -0.543 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.751 (180deg=-0.872) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.699 USER MOD Single : A 30 CYS SG : rot -156:sc= -1.4 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -60:sc= -4.33! USER MOD Single : A 35 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0227) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 137:sc= -1.57 (180deg=-5.06!) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 68 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 71 GLN : amide:sc= 0.298 K(o=0.3,f=-0.78) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -154:sc= -4.65! (180deg=-6.99!) USER MOD Single : A 84 HIS : no HE2:sc= -0.536 K(o=-0.54,f=-2.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0782 USER MOD Single : A 96 GLN : amide:sc= -3.14 K(o=-3.1,f=-4!) USER MOD Single : A 101 TYR OH : rot -149:sc= -2.92! USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.235 K(o=-0.24,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.829 -12.539 -8.073 1.00 0.00 N ATOM 2 CA MET A 1 4.157 -12.087 -6.825 1.00 0.00 C ATOM 3 C MET A 1 4.959 -12.466 -5.580 1.00 0.00 C ATOM 4 O MET A 1 4.887 -11.781 -4.559 1.00 0.00 O ATOM 5 CB MET A 1 2.751 -12.695 -6.768 1.00 0.00 C ATOM 6 CG MET A 1 2.727 -14.217 -6.744 1.00 0.00 C ATOM 7 SD MET A 1 1.262 -14.895 -7.547 1.00 0.00 S ATOM 8 CE MET A 1 -0.033 -13.952 -6.745 1.00 0.00 C ATOM 0 H1 MET A 1 4.223 -12.324 -8.891 1.00 0.00 H new ATOM 0 H2 MET A 1 5.738 -12.045 -8.176 1.00 0.00 H new ATOM 0 H3 MET A 1 4.996 -13.564 -8.026 1.00 0.00 H new ATOM 0 HA MET A 1 4.089 -10.999 -6.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.242 -12.321 -5.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.183 -12.348 -7.631 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.619 -14.599 -7.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.764 -14.562 -5.711 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.867 -14.611 -6.505 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.355 -13.508 -5.828 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.375 -13.162 -7.414 1.00 0.00 H new ATOM 20 N GLN A 2 5.728 -13.548 -5.665 1.00 0.00 N ATOM 21 CA GLN A 2 6.542 -13.992 -4.536 1.00 0.00 C ATOM 22 C GLN A 2 7.976 -13.486 -4.659 1.00 0.00 C ATOM 23 O GLN A 2 8.718 -13.448 -3.677 1.00 0.00 O ATOM 24 CB GLN A 2 6.543 -15.517 -4.439 1.00 0.00 C ATOM 25 CG GLN A 2 7.154 -16.038 -3.148 1.00 0.00 C ATOM 26 CD GLN A 2 7.816 -17.391 -3.320 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.220 -18.321 -3.863 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.056 -17.507 -2.857 1.00 0.00 N ATOM 0 H GLN A 2 5.805 -14.131 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 2 6.102 -13.576 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.518 -15.880 -4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.094 -15.927 -5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.890 -15.321 -2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.377 -16.112 -2.387 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.512 -16.709 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.552 -18.394 -2.945 1.00 0.00 H new ATOM 37 N ARG A 3 8.361 -13.093 -5.869 1.00 0.00 N ATOM 38 CA ARG A 3 9.705 -12.587 -6.123 1.00 0.00 C ATOM 39 C ARG A 3 9.955 -11.256 -5.408 1.00 0.00 C ATOM 40 O ARG A 3 11.045 -10.691 -5.500 1.00 0.00 O ATOM 41 CB ARG A 3 9.922 -12.416 -7.626 1.00 0.00 C ATOM 42 CG ARG A 3 8.798 -11.661 -8.319 1.00 0.00 C ATOM 43 CD ARG A 3 8.117 -12.517 -9.376 1.00 0.00 C ATOM 44 NE ARG A 3 7.487 -11.707 -10.416 1.00 0.00 N ATOM 45 CZ ARG A 3 6.508 -12.145 -11.204 1.00 0.00 C ATOM 46 NH1 ARG A 3 6.047 -13.384 -11.076 1.00 0.00 N ATOM 47 NH2 ARG A 3 5.989 -11.343 -12.124 1.00 0.00 N ATOM 0 H ARG A 3 7.759 -13.116 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 3 10.413 -13.316 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.861 -11.887 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.025 -13.400 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.063 -11.342 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.197 -10.759 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.850 -13.183 -9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.364 -13.147 -8.902 1.00 0.00 H new ATOM 0 HE ARG A 3 7.817 -10.750 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.443 -14.005 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.297 -13.714 -11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.340 -10.391 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.239 -11.678 -12.728 1.00 0.00 H new ATOM 61 N GLY A 4 8.943 -10.754 -4.700 1.00 0.00 N ATOM 62 CA GLY A 4 9.085 -9.494 -3.995 1.00 0.00 C ATOM 63 C GLY A 4 8.633 -8.324 -4.842 1.00 0.00 C ATOM 64 O GLY A 4 9.422 -7.750 -5.589 1.00 0.00 O ATOM 0 H GLY A 4 8.030 -11.199 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.501 -9.524 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.127 -9.354 -3.707 1.00 0.00 H new ATOM 68 N ILE A 5 7.353 -7.988 -4.747 1.00 0.00 N ATOM 69 CA ILE A 5 6.795 -6.901 -5.531 1.00 0.00 C ATOM 70 C ILE A 5 6.089 -5.874 -4.650 1.00 0.00 C ATOM 71 O ILE A 5 5.123 -6.199 -3.960 1.00 0.00 O ATOM 72 CB ILE A 5 5.770 -7.436 -6.550 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.237 -8.765 -7.163 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.506 -6.406 -7.638 1.00 0.00 C ATOM 75 CD1 ILE A 5 7.687 -8.775 -7.594 1.00 0.00 C ATOM 0 H ILE A 5 6.684 -8.454 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 5 7.631 -6.425 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 5 4.837 -7.623 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.080 -9.562 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.612 -8.993 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.780 -6.804 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.113 -5.494 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.436 -6.181 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.935 -9.749 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.848 -8.003 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.324 -8.580 -6.731 1.00 0.00 H new ATOM 87 N VAL A 6 6.557 -4.631 -4.691 1.00 0.00 N ATOM 88 CA VAL A 6 5.939 -3.562 -3.915 1.00 0.00 C ATOM 89 C VAL A 6 5.240 -2.571 -4.832 1.00 0.00 C ATOM 90 O VAL A 6 5.820 -2.110 -5.815 1.00 0.00 O ATOM 91 CB VAL A 6 6.962 -2.786 -3.062 1.00 0.00 C ATOM 92 CG1 VAL A 6 7.882 -1.952 -3.944 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.242 -1.900 -2.058 1.00 0.00 C ATOM 0 H VAL A 6 7.359 -4.340 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 6 5.222 -4.044 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 6 7.575 -3.506 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.595 -1.414 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.421 -2.607 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.289 -1.238 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.975 -1.357 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.608 -1.190 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.627 -2.517 -1.403 1.00 0.00 H new ATOM 103 N TRP A 7 4.008 -2.226 -4.502 1.00 0.00 N ATOM 104 CA TRP A 7 3.258 -1.268 -5.299 1.00 0.00 C ATOM 105 C TRP A 7 2.891 -0.063 -4.439 1.00 0.00 C ATOM 106 O TRP A 7 2.370 -0.211 -3.334 1.00 0.00 O ATOM 107 CB TRP A 7 2.030 -1.941 -5.916 1.00 0.00 C ATOM 108 CG TRP A 7 2.376 -2.778 -7.115 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.627 -3.004 -7.621 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.472 -3.501 -7.958 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.555 -3.808 -8.727 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.245 -4.131 -8.955 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.087 -3.676 -7.970 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.676 -4.920 -9.949 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.475 -4.461 -8.959 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.320 -5.074 -9.937 1.00 0.00 C ATOM 0 H TRP A 7 3.507 -2.592 -3.692 1.00 0.00 H new ATOM 0 HA TRP A 7 3.872 -0.909 -6.124 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.548 -2.568 -5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.308 -1.178 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.541 -2.605 -7.207 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.348 -4.116 -9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.533 -3.207 -7.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.286 -5.394 -10.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.545 -4.605 -8.979 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.150 -5.681 -10.697 1.00 0.00 H new ATOM 127 N VAL A 8 3.223 1.132 -4.924 1.00 0.00 N ATOM 128 CA VAL A 8 2.981 2.351 -4.160 1.00 0.00 C ATOM 129 C VAL A 8 2.143 3.374 -4.912 1.00 0.00 C ATOM 130 O VAL A 8 2.520 3.842 -5.981 1.00 0.00 O ATOM 131 CB VAL A 8 4.304 3.029 -3.754 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.187 3.606 -2.353 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.475 2.055 -3.852 1.00 0.00 C ATOM 0 H VAL A 8 3.657 1.280 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 8 2.428 2.028 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 8 4.501 3.846 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.127 4.083 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.385 4.344 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.964 2.806 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.395 2.561 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.300 1.208 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.567 1.699 -4.878 1.00 0.00 H new ATOM 143 N VAL A 9 1.022 3.744 -4.317 1.00 0.00 N ATOM 144 CA VAL A 9 0.142 4.744 -4.905 1.00 0.00 C ATOM 145 C VAL A 9 0.164 6.022 -4.070 1.00 0.00 C ATOM 146 O VAL A 9 -0.284 6.031 -2.924 1.00 0.00 O ATOM 147 CB VAL A 9 -1.314 4.234 -5.031 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.688 4.050 -6.487 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.508 2.930 -4.279 1.00 0.00 C ATOM 0 H VAL A 9 0.698 3.368 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 9 0.514 4.951 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.967 4.985 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.715 3.691 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.601 5.003 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.018 3.323 -6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.541 2.598 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.839 2.172 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.284 3.082 -3.223 1.00 0.00 H new ATOM 159 N ASP A 10 0.694 7.097 -4.652 1.00 0.00 N ATOM 160 CA ASP A 10 0.774 8.387 -3.963 1.00 0.00 C ATOM 161 C ASP A 10 1.363 9.470 -4.869 1.00 0.00 C ATOM 162 O ASP A 10 2.458 9.972 -4.631 1.00 0.00 O ATOM 163 CB ASP A 10 1.597 8.277 -2.672 1.00 0.00 C ATOM 164 CG ASP A 10 1.479 9.528 -1.810 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.628 10.639 -2.361 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.236 9.402 -0.586 1.00 0.00 O ATOM 0 H ASP A 10 1.075 7.102 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.245 8.674 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.262 7.411 -2.101 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.644 8.107 -2.923 1.00 0.00 H new ATOM 171 N ASP A 11 0.611 9.838 -5.902 1.00 0.00 N ATOM 172 CA ASP A 11 1.027 10.879 -6.845 1.00 0.00 C ATOM 173 C ASP A 11 2.205 10.454 -7.721 1.00 0.00 C ATOM 174 O ASP A 11 2.635 11.212 -8.590 1.00 0.00 O ATOM 175 CB ASP A 11 1.386 12.160 -6.090 1.00 0.00 C ATOM 176 CG ASP A 11 1.518 13.354 -7.013 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.494 14.020 -7.272 1.00 0.00 O ATOM 178 OD2 ASP A 11 2.646 13.624 -7.477 1.00 0.00 O ATOM 0 H ASP A 11 -0.299 9.428 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 11 0.180 11.057 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.620 12.365 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.324 12.013 -5.554 1.00 0.00 H new ATOM 183 N ASP A 12 2.726 9.248 -7.502 1.00 0.00 N ATOM 184 CA ASP A 12 3.853 8.743 -8.287 1.00 0.00 C ATOM 185 C ASP A 12 4.930 9.825 -8.488 1.00 0.00 C ATOM 186 O ASP A 12 5.387 10.419 -7.513 1.00 0.00 O ATOM 187 CB ASP A 12 3.348 8.195 -9.629 1.00 0.00 C ATOM 188 CG ASP A 12 2.572 9.227 -10.426 1.00 0.00 C ATOM 189 OD1 ASP A 12 1.382 9.446 -10.114 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.155 9.817 -11.360 1.00 0.00 O ATOM 0 H ASP A 12 2.387 8.603 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 12 4.324 7.929 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.197 7.849 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.712 7.328 -9.447 1.00 0.00 H new ATOM 195 N SER A 13 5.325 10.080 -9.746 1.00 0.00 N ATOM 196 CA SER A 13 6.337 11.081 -10.077 1.00 0.00 C ATOM 197 C SER A 13 7.441 11.181 -9.023 1.00 0.00 C ATOM 198 O SER A 13 8.516 10.594 -9.172 1.00 0.00 O ATOM 199 CB SER A 13 5.653 12.428 -10.296 1.00 0.00 C ATOM 200 OG SER A 13 6.402 13.262 -11.170 1.00 0.00 O ATOM 0 H SER A 13 4.947 9.594 -10.559 1.00 0.00 H new ATOM 0 HA SER A 13 6.835 10.769 -10.995 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.658 12.268 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.522 12.930 -9.337 1.00 0.00 H new ATOM 0 HG SER A 13 5.934 14.115 -11.289 1.00 0.00 H new ATOM 206 N SER A 14 7.173 11.927 -7.966 1.00 0.00 N ATOM 207 CA SER A 14 8.137 12.114 -6.890 1.00 0.00 C ATOM 208 C SER A 14 8.110 10.950 -5.900 1.00 0.00 C ATOM 209 O SER A 14 9.157 10.415 -5.533 1.00 0.00 O ATOM 210 CB SER A 14 7.852 13.424 -6.154 1.00 0.00 C ATOM 211 OG SER A 14 8.594 13.503 -4.949 1.00 0.00 O ATOM 0 H SER A 14 6.290 12.418 -7.827 1.00 0.00 H new ATOM 0 HA SER A 14 9.130 12.152 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.104 14.268 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.787 13.497 -5.935 1.00 0.00 H new ATOM 0 HG SER A 14 8.396 14.350 -4.498 1.00 0.00 H new ATOM 217 N ILE A 15 6.913 10.573 -5.460 1.00 0.00 N ATOM 218 CA ILE A 15 6.760 9.484 -4.499 1.00 0.00 C ATOM 219 C ILE A 15 7.231 8.143 -5.063 1.00 0.00 C ATOM 220 O ILE A 15 7.560 7.232 -4.305 1.00 0.00 O ATOM 221 CB ILE A 15 5.299 9.364 -4.006 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.826 10.704 -3.439 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.179 8.271 -2.952 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.664 11.198 -2.279 1.00 0.00 C ATOM 0 H ILE A 15 6.036 11.004 -5.753 1.00 0.00 H new ATOM 0 HA ILE A 15 7.397 9.734 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 15 4.666 9.096 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.842 11.451 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.790 10.607 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.144 8.201 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.487 7.317 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.820 8.512 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.272 12.152 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.628 10.470 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.696 11.328 -2.605 1.00 0.00 H new ATOM 236 N ARG A 16 7.264 8.021 -6.386 1.00 0.00 N ATOM 237 CA ARG A 16 7.706 6.778 -7.019 1.00 0.00 C ATOM 238 C ARG A 16 9.228 6.693 -7.085 1.00 0.00 C ATOM 239 O ARG A 16 9.827 5.725 -6.617 1.00 0.00 O ATOM 240 CB ARG A 16 7.118 6.627 -8.421 1.00 0.00 C ATOM 241 CG ARG A 16 7.331 7.812 -9.348 1.00 0.00 C ATOM 242 CD ARG A 16 8.014 7.392 -10.640 1.00 0.00 C ATOM 243 NE ARG A 16 8.812 8.469 -11.225 1.00 0.00 N ATOM 244 CZ ARG A 16 8.687 8.898 -12.483 1.00 0.00 C ATOM 245 NH1 ARG A 16 7.784 8.366 -13.299 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.475 9.869 -12.928 1.00 0.00 N ATOM 0 H ARG A 16 6.994 8.758 -7.037 1.00 0.00 H new ATOM 0 HA ARG A 16 7.341 5.960 -6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.552 5.742 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.047 6.446 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.371 8.274 -9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.936 8.566 -8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.656 6.533 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.260 7.071 -11.359 1.00 0.00 H new ATOM 0 HE ARG A 16 9.509 8.922 -10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.174 7.619 -12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.701 8.705 -14.258 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.172 10.284 -12.310 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.383 10.200 -13.888 1.00 0.00 H new ATOM 260 N TRP A 17 9.845 7.704 -7.686 1.00 0.00 N ATOM 261 CA TRP A 17 11.298 7.742 -7.838 1.00 0.00 C ATOM 262 C TRP A 17 12.026 7.440 -6.530 1.00 0.00 C ATOM 263 O TRP A 17 13.037 6.738 -6.528 1.00 0.00 O ATOM 264 CB TRP A 17 11.748 9.106 -8.361 1.00 0.00 C ATOM 265 CG TRP A 17 13.206 9.146 -8.703 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.780 8.815 -9.895 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.277 9.531 -7.834 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.144 8.971 -9.822 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.473 9.412 -8.566 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.339 9.968 -6.507 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.717 9.713 -8.016 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.575 10.266 -5.962 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.749 10.137 -6.716 1.00 0.00 C ATOM 0 H TRP A 17 9.361 8.512 -8.078 1.00 0.00 H new ATOM 0 HA TRP A 17 11.557 6.965 -8.557 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.165 9.361 -9.246 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.535 9.866 -7.609 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.242 8.479 -10.769 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.803 8.789 -10.578 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.439 10.071 -5.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.623 9.615 -8.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.636 10.604 -4.938 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.699 10.377 -6.261 1.00 0.00 H new ATOM 284 N VAL A 18 11.536 7.990 -5.427 1.00 0.00 N ATOM 285 CA VAL A 18 12.182 7.782 -4.137 1.00 0.00 C ATOM 286 C VAL A 18 12.012 6.358 -3.637 1.00 0.00 C ATOM 287 O VAL A 18 12.988 5.645 -3.412 1.00 0.00 O ATOM 288 CB VAL A 18 11.670 8.746 -3.038 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.776 9.034 -2.035 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.142 10.048 -3.623 1.00 0.00 C ATOM 0 H VAL A 18 10.703 8.577 -5.398 1.00 0.00 H new ATOM 0 HA VAL A 18 13.237 7.987 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 18 10.840 8.253 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.404 9.713 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.097 8.102 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.621 9.494 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.793 10.694 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.939 10.550 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.315 9.834 -4.300 1.00 0.00 H new ATOM 300 N LEU A 19 10.769 5.967 -3.429 1.00 0.00 N ATOM 301 CA LEU A 19 10.462 4.639 -2.908 1.00 0.00 C ATOM 302 C LEU A 19 10.834 3.525 -3.882 1.00 0.00 C ATOM 303 O LEU A 19 11.111 2.404 -3.463 1.00 0.00 O ATOM 304 CB LEU A 19 8.982 4.531 -2.536 1.00 0.00 C ATOM 305 CG LEU A 19 8.685 3.642 -1.323 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.451 4.128 -0.101 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.190 3.608 -1.035 1.00 0.00 C ATOM 0 H LEU A 19 9.951 6.548 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 19 11.072 4.509 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.598 5.532 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.434 4.144 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 19 9.014 2.629 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.226 3.484 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.521 4.098 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.155 5.151 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.000 2.972 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.837 4.618 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.662 3.210 -1.901 1.00 0.00 H new ATOM 319 N GLU A 20 10.833 3.823 -5.171 1.00 0.00 N ATOM 320 CA GLU A 20 11.168 2.811 -6.166 1.00 0.00 C ATOM 321 C GLU A 20 12.634 2.405 -6.076 1.00 0.00 C ATOM 322 O GLU A 20 12.959 1.235 -5.880 1.00 0.00 O ATOM 323 CB GLU A 20 10.818 3.289 -7.585 1.00 0.00 C ATOM 324 CG GLU A 20 11.778 4.301 -8.188 1.00 0.00 C ATOM 325 CD GLU A 20 11.331 4.782 -9.555 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.135 5.104 -9.707 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.177 4.833 -10.473 1.00 0.00 O ATOM 0 H GLU A 20 10.608 4.742 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 20 10.565 1.929 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.773 2.420 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.820 3.727 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.869 5.155 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.769 3.854 -8.270 1.00 0.00 H new ATOM 334 N ARG A 21 13.512 3.376 -6.229 1.00 0.00 N ATOM 335 CA ARG A 21 14.947 3.128 -6.181 1.00 0.00 C ATOM 336 C ARG A 21 15.364 2.413 -4.896 1.00 0.00 C ATOM 337 O ARG A 21 15.847 1.281 -4.936 1.00 0.00 O ATOM 338 CB ARG A 21 15.708 4.447 -6.308 1.00 0.00 C ATOM 339 CG ARG A 21 15.684 5.030 -7.712 1.00 0.00 C ATOM 340 CD ARG A 21 17.067 5.031 -8.348 1.00 0.00 C ATOM 341 NE ARG A 21 17.760 6.304 -8.153 1.00 0.00 N ATOM 342 CZ ARG A 21 18.599 6.555 -7.148 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.898 5.611 -6.264 1.00 0.00 N ATOM 344 NH2 ARG A 21 19.155 7.753 -7.035 1.00 0.00 N ATOM 0 H ARG A 21 13.259 4.351 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 21 15.194 2.475 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.280 5.172 -5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.744 4.290 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.999 4.453 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.300 6.049 -7.676 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.663 4.225 -7.920 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.975 4.828 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 21 17.590 7.048 -8.830 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.485 4.683 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.541 5.814 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.941 8.481 -7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.797 7.947 -6.267 1.00 0.00 H new ATOM 358 N ALA A 22 15.190 3.082 -3.761 1.00 0.00 N ATOM 359 CA ALA A 22 15.569 2.514 -2.468 1.00 0.00 C ATOM 360 C ALA A 22 14.952 1.142 -2.234 1.00 0.00 C ATOM 361 O ALA A 22 15.510 0.321 -1.506 1.00 0.00 O ATOM 362 CB ALA A 22 15.191 3.466 -1.341 1.00 0.00 C ATOM 0 H ALA A 22 14.789 4.018 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 22 16.651 2.381 -2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.479 3.030 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.709 4.415 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.114 3.635 -1.353 1.00 0.00 H new ATOM 368 N LEU A 23 13.809 0.893 -2.850 1.00 0.00 N ATOM 369 CA LEU A 23 13.137 -0.391 -2.695 1.00 0.00 C ATOM 370 C LEU A 23 13.745 -1.428 -3.634 1.00 0.00 C ATOM 371 O LEU A 23 13.786 -2.628 -3.330 1.00 0.00 O ATOM 372 CB LEU A 23 11.637 -0.244 -2.938 1.00 0.00 C ATOM 373 CG LEU A 23 10.791 -1.462 -2.566 1.00 0.00 C ATOM 374 CD1 LEU A 23 10.757 -2.456 -3.712 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.311 -2.127 -1.299 1.00 0.00 C ATOM 0 H LEU A 23 13.328 1.556 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 23 13.280 -0.737 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.277 0.615 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.477 -0.020 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 23 9.775 -1.118 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.150 -3.316 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.325 -1.981 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.771 -2.786 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.689 -2.990 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.339 -2.453 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.277 -1.415 -0.474 1.00 0.00 H new ATOM 387 N ALA A 24 14.247 -0.955 -4.763 1.00 0.00 N ATOM 388 CA ALA A 24 14.887 -1.831 -5.722 1.00 0.00 C ATOM 389 C ALA A 24 16.173 -2.372 -5.118 1.00 0.00 C ATOM 390 O ALA A 24 16.565 -3.510 -5.377 1.00 0.00 O ATOM 391 CB ALA A 24 15.172 -1.096 -7.024 1.00 0.00 C ATOM 0 H ALA A 24 14.222 0.028 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 24 14.218 -2.660 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.653 -1.776 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.236 -0.735 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.832 -0.251 -6.828 1.00 0.00 H new ATOM 397 N GLY A 25 16.811 -1.554 -4.280 1.00 0.00 N ATOM 398 CA GLY A 25 18.026 -1.982 -3.623 1.00 0.00 C ATOM 399 C GLY A 25 17.760 -3.155 -2.704 1.00 0.00 C ATOM 400 O GLY A 25 18.645 -3.972 -2.448 1.00 0.00 O ATOM 0 H GLY A 25 16.506 -0.609 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.769 -2.262 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.445 -1.155 -3.051 1.00 0.00 H new ATOM 404 N ALA A 26 16.521 -3.240 -2.217 1.00 0.00 N ATOM 405 CA ALA A 26 16.117 -4.320 -1.335 1.00 0.00 C ATOM 406 C ALA A 26 15.849 -5.600 -2.127 1.00 0.00 C ATOM 407 O ALA A 26 15.805 -6.692 -1.562 1.00 0.00 O ATOM 408 CB ALA A 26 14.890 -3.914 -0.532 1.00 0.00 C ATOM 0 H ALA A 26 15.782 -2.568 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 26 16.933 -4.521 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.598 -4.733 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.122 -3.033 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.070 -3.684 -1.212 1.00 0.00 H new ATOM 414 N GLY A 27 15.705 -5.461 -3.446 1.00 0.00 N ATOM 415 CA GLY A 27 15.487 -6.619 -4.294 1.00 0.00 C ATOM 416 C GLY A 27 14.032 -6.884 -4.663 1.00 0.00 C ATOM 417 O GLY A 27 13.685 -8.024 -4.973 1.00 0.00 O ATOM 0 H GLY A 27 15.736 -4.568 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.061 -6.491 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.884 -7.500 -3.789 1.00 0.00 H new ATOM 421 N LEU A 28 13.172 -5.863 -4.646 1.00 0.00 N ATOM 422 CA LEU A 28 11.770 -6.077 -5.004 1.00 0.00 C ATOM 423 C LEU A 28 11.300 -5.129 -6.107 1.00 0.00 C ATOM 424 O LEU A 28 11.952 -4.130 -6.405 1.00 0.00 O ATOM 425 CB LEU A 28 10.875 -5.948 -3.775 1.00 0.00 C ATOM 426 CG LEU A 28 11.545 -6.333 -2.463 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.186 -5.118 -1.817 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.548 -6.999 -1.526 1.00 0.00 C ATOM 0 H LEU A 28 13.413 -4.904 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 28 11.693 -7.091 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.526 -4.918 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.994 -6.574 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 28 12.334 -7.055 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.660 -5.412 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.937 -4.702 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.422 -4.367 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.047 -7.266 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.730 -6.310 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.152 -7.899 -1.996 1.00 0.00 H new ATOM 440 N THR A 29 10.160 -5.466 -6.716 1.00 0.00 N ATOM 441 CA THR A 29 9.593 -4.659 -7.798 1.00 0.00 C ATOM 442 C THR A 29 8.850 -3.442 -7.244 1.00 0.00 C ATOM 443 O THR A 29 8.019 -3.564 -6.353 1.00 0.00 O ATOM 444 CB THR A 29 8.652 -5.511 -8.656 1.00 0.00 C ATOM 445 OG1 THR A 29 9.361 -6.568 -9.282 1.00 0.00 O ATOM 446 CG2 THR A 29 7.952 -4.729 -9.746 1.00 0.00 C ATOM 0 H THR A 29 9.612 -6.293 -6.478 1.00 0.00 H new ATOM 0 HA THR A 29 10.413 -4.300 -8.421 1.00 0.00 H new ATOM 0 HB THR A 29 7.901 -5.889 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.847 -6.898 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.303 -5.396 -10.313 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.354 -3.935 -9.298 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.694 -4.291 -10.414 1.00 0.00 H new ATOM 454 N CYS A 30 9.175 -2.267 -7.772 1.00 0.00 N ATOM 455 CA CYS A 30 8.560 -1.021 -7.319 1.00 0.00 C ATOM 456 C CYS A 30 7.859 -0.284 -8.456 1.00 0.00 C ATOM 457 O CYS A 30 8.508 0.257 -9.353 1.00 0.00 O ATOM 458 CB CYS A 30 9.627 -0.113 -6.718 1.00 0.00 C ATOM 459 SG CYS A 30 11.187 -0.103 -7.633 1.00 0.00 S ATOM 0 H CYS A 30 9.863 -2.149 -8.516 1.00 0.00 H new ATOM 0 HA CYS A 30 7.811 -1.277 -6.570 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.239 0.904 -6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.821 -0.428 -5.693 1.00 0.00 H new ATOM 0 HG CYS A 30 12.152 0.259 -6.841 1.00 0.00 H new ATOM 465 N THR A 31 6.534 -0.236 -8.392 1.00 0.00 N ATOM 466 CA THR A 31 5.747 0.468 -9.396 1.00 0.00 C ATOM 467 C THR A 31 4.662 1.290 -8.695 1.00 0.00 C ATOM 468 O THR A 31 4.011 0.805 -7.768 1.00 0.00 O ATOM 469 CB THR A 31 5.135 -0.517 -10.404 1.00 0.00 C ATOM 470 OG1 THR A 31 4.807 0.148 -11.609 1.00 0.00 O ATOM 471 CG2 THR A 31 3.871 -1.181 -9.922 1.00 0.00 C ATOM 0 H THR A 31 5.982 -0.676 -7.656 1.00 0.00 H new ATOM 0 HA THR A 31 6.396 1.140 -9.958 1.00 0.00 H new ATOM 0 HB THR A 31 5.900 -1.280 -10.545 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.420 -0.493 -12.241 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.502 -1.861 -10.690 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.079 -1.742 -9.011 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.117 -0.422 -9.716 1.00 0.00 H new ATOM 479 N THR A 32 4.499 2.543 -9.102 1.00 0.00 N ATOM 480 CA THR A 32 3.523 3.421 -8.467 1.00 0.00 C ATOM 481 C THR A 32 2.400 3.848 -9.406 1.00 0.00 C ATOM 482 O THR A 32 2.553 3.878 -10.628 1.00 0.00 O ATOM 483 CB THR A 32 4.220 4.666 -7.937 1.00 0.00 C ATOM 484 OG1 THR A 32 4.705 5.450 -9.013 1.00 0.00 O ATOM 485 CG2 THR A 32 5.383 4.358 -7.013 1.00 0.00 C ATOM 0 H THR A 32 5.025 2.972 -9.863 1.00 0.00 H new ATOM 0 HA THR A 32 3.072 2.849 -7.656 1.00 0.00 H new ATOM 0 HB THR A 32 3.468 5.206 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.345 4.925 -9.538 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.834 5.290 -6.672 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.024 3.793 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.128 3.770 -7.549 1.00 0.00 H new ATOM 493 N PHE A 33 1.266 4.184 -8.795 1.00 0.00 N ATOM 494 CA PHE A 33 0.075 4.627 -9.508 1.00 0.00 C ATOM 495 C PHE A 33 -0.549 5.827 -8.799 1.00 0.00 C ATOM 496 O PHE A 33 -0.104 6.223 -7.717 1.00 0.00 O ATOM 497 CB PHE A 33 -0.958 3.503 -9.643 1.00 0.00 C ATOM 498 CG PHE A 33 -0.366 2.141 -9.879 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.544 1.594 -8.988 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.721 1.406 -10.999 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.089 0.347 -9.209 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.180 0.156 -11.225 1.00 0.00 C ATOM 503 CZ PHE A 33 0.726 -0.374 -10.330 1.00 0.00 C ATOM 0 H PHE A 33 1.149 4.155 -7.782 1.00 0.00 H new ATOM 0 HA PHE A 33 0.383 4.919 -10.512 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.563 3.471 -8.737 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.631 3.741 -10.467 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.830 2.152 -8.109 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.429 1.816 -11.704 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.798 -0.065 -8.507 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.466 -0.406 -12.102 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.151 -1.351 -10.505 1.00 0.00 H new ATOM 513 N GLU A 34 -1.574 6.403 -9.417 1.00 0.00 N ATOM 514 CA GLU A 34 -2.262 7.558 -8.859 1.00 0.00 C ATOM 515 C GLU A 34 -2.831 7.237 -7.469 1.00 0.00 C ATOM 516 O GLU A 34 -2.076 7.090 -6.508 1.00 0.00 O ATOM 517 CB GLU A 34 -3.387 7.962 -9.819 1.00 0.00 C ATOM 518 CG GLU A 34 -4.227 6.778 -10.296 1.00 0.00 C ATOM 519 CD GLU A 34 -5.722 7.000 -10.159 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.204 8.081 -10.561 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.407 6.084 -9.646 1.00 0.00 O ATOM 0 H GLU A 34 -1.948 6.085 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.558 8.382 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.037 8.684 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.954 8.464 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.993 6.574 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.946 5.891 -9.728 1.00 0.00 H new ATOM 528 N ASN A 35 -4.152 7.123 -7.361 1.00 0.00 N ATOM 529 CA ASN A 35 -4.791 6.812 -6.099 1.00 0.00 C ATOM 530 C ASN A 35 -4.826 5.306 -5.906 1.00 0.00 C ATOM 531 O ASN A 35 -4.357 4.557 -6.759 1.00 0.00 O ATOM 532 CB ASN A 35 -6.210 7.382 -6.062 1.00 0.00 C ATOM 533 CG ASN A 35 -6.265 8.831 -6.502 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.826 9.729 -5.784 1.00 0.00 O ATOM 535 ND2 ASN A 35 -6.811 9.068 -7.690 1.00 0.00 N ATOM 0 H ASN A 35 -4.798 7.243 -8.141 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.219 7.266 -5.290 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.855 6.785 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.606 7.298 -5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.878 10.024 -8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.163 8.294 -8.253 1.00 0.00 H new ATOM 542 N GLY A 36 -5.385 4.860 -4.791 1.00 0.00 N ATOM 543 CA GLY A 36 -5.458 3.437 -4.530 1.00 0.00 C ATOM 544 C GLY A 36 -6.410 2.700 -5.461 1.00 0.00 C ATOM 545 O GLY A 36 -6.555 1.483 -5.354 1.00 0.00 O ATOM 0 H GLY A 36 -5.787 5.454 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.461 3.006 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.775 3.280 -3.499 1.00 0.00 H new ATOM 549 N ASN A 37 -7.050 3.418 -6.390 1.00 0.00 N ATOM 550 CA ASN A 37 -7.958 2.778 -7.327 1.00 0.00 C ATOM 551 C ASN A 37 -7.159 2.154 -8.464 1.00 0.00 C ATOM 552 O ASN A 37 -7.439 1.032 -8.891 1.00 0.00 O ATOM 553 CB ASN A 37 -8.993 3.768 -7.873 1.00 0.00 C ATOM 554 CG ASN A 37 -10.345 3.117 -8.131 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.879 2.426 -7.127 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.906 3.241 -9.221 1.00 0.00 N flip ATOM 0 H ASN A 37 -6.954 4.427 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.505 1.997 -6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.117 4.586 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.620 4.203 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.462 3.780 -9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.814 2.805 -9.380 1.00 0.00 H new ATOM 563 N GLU A 38 -6.145 2.878 -8.942 1.00 0.00 N ATOM 564 CA GLU A 38 -5.294 2.381 -10.017 1.00 0.00 C ATOM 565 C GLU A 38 -4.756 0.987 -9.690 1.00 0.00 C ATOM 566 O GLU A 38 -4.936 0.049 -10.467 1.00 0.00 O ATOM 567 CB GLU A 38 -4.124 3.336 -10.236 1.00 0.00 C ATOM 568 CG GLU A 38 -4.088 3.954 -11.623 1.00 0.00 C ATOM 569 CD GLU A 38 -3.525 3.011 -12.668 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.030 1.876 -12.777 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.579 3.413 -13.378 1.00 0.00 O ATOM 0 H GLU A 38 -5.896 3.807 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.895 2.319 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.174 4.133 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.191 2.799 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.097 4.249 -11.911 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.486 4.862 -11.596 1.00 0.00 H new ATOM 578 N VAL A 39 -4.095 0.857 -8.535 1.00 0.00 N ATOM 579 CA VAL A 39 -3.532 -0.428 -8.109 1.00 0.00 C ATOM 580 C VAL A 39 -4.523 -1.559 -8.343 1.00 0.00 C ATOM 581 O VAL A 39 -4.142 -2.680 -8.678 1.00 0.00 O ATOM 582 CB VAL A 39 -3.149 -0.422 -6.615 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.438 -1.711 -6.241 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.279 0.776 -6.282 1.00 0.00 C ATOM 0 H VAL A 39 -3.937 1.623 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.634 -0.584 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.067 -0.349 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.176 -1.688 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.096 -2.558 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.531 -1.813 -6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.023 0.757 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.366 0.739 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.822 1.694 -6.507 1.00 0.00 H new ATOM 594 N LEU A 40 -5.798 -1.247 -8.163 1.00 0.00 N ATOM 595 CA LEU A 40 -6.859 -2.227 -8.353 1.00 0.00 C ATOM 596 C LEU A 40 -6.878 -2.720 -9.796 1.00 0.00 C ATOM 597 O LEU A 40 -6.891 -3.923 -10.053 1.00 0.00 O ATOM 598 CB LEU A 40 -8.218 -1.626 -7.986 1.00 0.00 C ATOM 599 CG LEU A 40 -8.235 -0.771 -6.716 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.605 -0.146 -6.515 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.845 -1.603 -5.504 1.00 0.00 C ATOM 0 H LEU A 40 -6.124 -0.321 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.663 -3.074 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.563 -1.015 -8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.935 -2.438 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.504 0.029 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.600 0.458 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.846 0.485 -7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.354 -0.933 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.863 -0.977 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.551 -2.425 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.841 -2.004 -5.646 1.00 0.00 H new ATOM 613 N ALA A 41 -6.875 -1.778 -10.734 1.00 0.00 N ATOM 614 CA ALA A 41 -6.885 -2.114 -12.154 1.00 0.00 C ATOM 615 C ALA A 41 -5.653 -2.918 -12.528 1.00 0.00 C ATOM 616 O ALA A 41 -5.741 -3.956 -13.184 1.00 0.00 O ATOM 617 CB ALA A 41 -6.966 -0.849 -12.993 1.00 0.00 C ATOM 0 H ALA A 41 -6.866 -0.777 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.764 -2.726 -12.355 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.973 -1.114 -14.050 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.880 -0.308 -12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.103 -0.217 -12.783 1.00 0.00 H new ATOM 623 N ALA A 42 -4.505 -2.426 -12.095 1.00 0.00 N ATOM 624 CA ALA A 42 -3.235 -3.084 -12.365 1.00 0.00 C ATOM 625 C ALA A 42 -3.175 -4.429 -11.659 1.00 0.00 C ATOM 626 O ALA A 42 -2.560 -5.378 -12.146 1.00 0.00 O ATOM 627 CB ALA A 42 -2.078 -2.202 -11.921 1.00 0.00 C ATOM 0 H ALA A 42 -4.425 -1.567 -11.551 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.152 -3.252 -13.439 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.135 -2.707 -12.129 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.111 -1.257 -12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.158 -2.009 -10.851 1.00 0.00 H new ATOM 633 N LEU A 43 -3.824 -4.497 -10.504 1.00 0.00 N ATOM 634 CA LEU A 43 -3.859 -5.715 -9.711 1.00 0.00 C ATOM 635 C LEU A 43 -4.635 -6.816 -10.427 1.00 0.00 C ATOM 636 O LEU A 43 -4.434 -8.002 -10.168 1.00 0.00 O ATOM 637 CB LEU A 43 -4.498 -5.435 -8.351 1.00 0.00 C ATOM 638 CG LEU A 43 -3.531 -5.031 -7.244 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.291 -4.498 -6.037 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.676 -6.220 -6.847 1.00 0.00 C ATOM 0 H LEU A 43 -4.336 -3.716 -10.095 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.833 -6.055 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.236 -4.642 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.037 -6.327 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.883 -4.237 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.584 -4.215 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.875 -3.626 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.959 -5.271 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.987 -5.925 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.317 -7.025 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.109 -6.565 -7.711 1.00 0.00 H new ATOM 652 N ALA A 44 -5.526 -6.411 -11.320 1.00 0.00 N ATOM 653 CA ALA A 44 -6.341 -7.358 -12.070 1.00 0.00 C ATOM 654 C ALA A 44 -5.484 -8.276 -12.937 1.00 0.00 C ATOM 655 O ALA A 44 -5.942 -9.331 -13.373 1.00 0.00 O ATOM 656 CB ALA A 44 -7.355 -6.611 -12.925 1.00 0.00 C ATOM 0 H ALA A 44 -5.704 -5.432 -11.544 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.871 -7.986 -11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.959 -7.327 -13.482 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.001 -6.012 -12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.831 -5.958 -13.623 1.00 0.00 H new ATOM 662 N SER A 45 -4.243 -7.871 -13.189 1.00 0.00 N ATOM 663 CA SER A 45 -3.338 -8.661 -14.007 1.00 0.00 C ATOM 664 C SER A 45 -2.112 -9.117 -13.217 1.00 0.00 C ATOM 665 O SER A 45 -1.315 -9.919 -13.707 1.00 0.00 O ATOM 666 CB SER A 45 -2.903 -7.863 -15.237 1.00 0.00 C ATOM 667 OG SER A 45 -3.235 -8.548 -16.432 1.00 0.00 O ATOM 0 H SER A 45 -3.844 -7.001 -12.837 1.00 0.00 H new ATOM 0 HA SER A 45 -3.877 -9.552 -14.327 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.384 -6.885 -15.229 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.828 -7.689 -15.200 1.00 0.00 H new ATOM 0 HG SER A 45 -2.948 -8.017 -17.204 1.00 0.00 H new ATOM 673 N LYS A 46 -1.959 -8.609 -11.997 1.00 0.00 N ATOM 674 CA LYS A 46 -0.829 -8.977 -11.158 1.00 0.00 C ATOM 675 C LYS A 46 -1.130 -8.682 -9.695 1.00 0.00 C ATOM 676 O LYS A 46 -1.998 -7.872 -9.383 1.00 0.00 O ATOM 677 CB LYS A 46 0.425 -8.216 -11.591 1.00 0.00 C ATOM 678 CG LYS A 46 1.694 -9.052 -11.562 1.00 0.00 C ATOM 679 CD LYS A 46 2.799 -8.353 -10.783 1.00 0.00 C ATOM 680 CE LYS A 46 4.066 -8.213 -11.614 1.00 0.00 C ATOM 681 NZ LYS A 46 4.692 -6.870 -11.455 1.00 0.00 N ATOM 0 H LYS A 46 -2.603 -7.943 -11.571 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.654 -10.047 -11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.276 -7.835 -12.601 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.556 -7.352 -10.940 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.484 -10.021 -11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.030 -9.243 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.457 -7.366 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.018 -8.916 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.779 -8.983 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.831 -8.381 -12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.709 -6.934 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.247 -6.199 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.557 -6.538 -10.479 1.00 0.00 H new ATOM 695 N THR A 47 -0.402 -9.332 -8.801 1.00 0.00 N ATOM 696 CA THR A 47 -0.590 -9.122 -7.378 1.00 0.00 C ATOM 697 C THR A 47 0.753 -9.066 -6.660 1.00 0.00 C ATOM 698 O THR A 47 1.465 -10.067 -6.585 1.00 0.00 O ATOM 699 CB THR A 47 -1.465 -10.222 -6.772 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.751 -10.220 -7.366 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.652 -10.080 -5.274 1.00 0.00 C ATOM 0 H THR A 47 0.324 -10.009 -9.037 1.00 0.00 H new ATOM 0 HA THR A 47 -1.098 -8.166 -7.246 1.00 0.00 H new ATOM 0 HB THR A 47 -0.938 -11.155 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.296 -10.930 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.282 -10.891 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.681 -10.123 -4.780 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.128 -9.124 -5.056 1.00 0.00 H new ATOM 709 N PRO A 48 1.118 -7.897 -6.107 1.00 0.00 N ATOM 710 CA PRO A 48 2.375 -7.737 -5.387 1.00 0.00 C ATOM 711 C PRO A 48 2.271 -8.276 -3.971 1.00 0.00 C ATOM 712 O PRO A 48 1.173 -8.517 -3.478 1.00 0.00 O ATOM 713 CB PRO A 48 2.566 -6.224 -5.368 1.00 0.00 C ATOM 714 CG PRO A 48 1.183 -5.677 -5.342 1.00 0.00 C ATOM 715 CD PRO A 48 0.334 -6.644 -6.124 1.00 0.00 C ATOM 0 HA PRO A 48 3.201 -8.278 -5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.135 -5.906 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.112 -5.881 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.821 -5.581 -4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.149 -4.682 -5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.645 -6.779 -5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.163 -6.293 -7.142 1.00 0.00 H new ATOM 723 N ASP A 49 3.403 -8.467 -3.312 1.00 0.00 N ATOM 724 CA ASP A 49 3.383 -8.965 -1.953 1.00 0.00 C ATOM 725 C ASP A 49 2.933 -7.858 -1.012 1.00 0.00 C ATOM 726 O ASP A 49 1.927 -7.984 -0.323 1.00 0.00 O ATOM 727 CB ASP A 49 4.755 -9.513 -1.555 1.00 0.00 C ATOM 728 CG ASP A 49 5.845 -8.463 -1.505 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.908 -7.717 -0.509 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.642 -8.391 -2.460 1.00 0.00 O ATOM 0 H ASP A 49 4.332 -8.287 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 49 2.673 -9.789 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.676 -9.987 -0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.044 -10.289 -2.263 1.00 0.00 H new ATOM 735 N VAL A 50 3.674 -6.763 -1.006 1.00 0.00 N ATOM 736 CA VAL A 50 3.340 -5.616 -0.175 1.00 0.00 C ATOM 737 C VAL A 50 2.674 -4.521 -1.018 1.00 0.00 C ATOM 738 O VAL A 50 2.767 -4.535 -2.248 1.00 0.00 O ATOM 739 CB VAL A 50 4.588 -5.068 0.547 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.677 -4.699 -0.448 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.226 -3.886 1.427 1.00 0.00 C ATOM 0 H VAL A 50 4.515 -6.643 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 50 2.634 -5.944 0.587 1.00 0.00 H new ATOM 0 HB VAL A 50 4.980 -5.857 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.545 -4.316 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.964 -5.583 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.304 -3.934 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.122 -3.516 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.799 -3.093 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.497 -4.199 2.175 1.00 0.00 H new ATOM 751 N LEU A 51 1.988 -3.581 -0.366 1.00 0.00 N ATOM 752 CA LEU A 51 1.300 -2.509 -1.085 1.00 0.00 C ATOM 753 C LEU A 51 1.168 -1.249 -0.230 1.00 0.00 C ATOM 754 O LEU A 51 1.132 -1.317 0.997 1.00 0.00 O ATOM 755 CB LEU A 51 -0.091 -2.990 -1.513 1.00 0.00 C ATOM 756 CG LEU A 51 -0.892 -2.013 -2.378 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.224 -1.834 -3.732 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.325 -2.506 -2.548 1.00 0.00 C ATOM 0 H LEU A 51 1.895 -3.540 0.649 1.00 0.00 H new ATOM 0 HA LEU A 51 1.895 -2.256 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.021 -3.925 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.670 -3.213 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.918 -1.045 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.805 -1.137 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.783 -1.441 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.170 -2.796 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.882 -1.801 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.319 -3.484 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.800 -2.586 -1.570 1.00 0.00 H new ATOM 770 N LEU A 52 1.107 -0.098 -0.900 1.00 0.00 N ATOM 771 CA LEU A 52 0.987 1.196 -0.227 1.00 0.00 C ATOM 772 C LEU A 52 -0.031 2.074 -0.961 1.00 0.00 C ATOM 773 O LEU A 52 0.133 2.340 -2.150 1.00 0.00 O ATOM 774 CB LEU A 52 2.355 1.890 -0.184 1.00 0.00 C ATOM 775 CG LEU A 52 2.896 2.202 1.212 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.399 2.420 1.161 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.196 3.420 1.801 1.00 0.00 C ATOM 0 H LEU A 52 1.139 -0.036 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 52 0.641 1.038 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.078 1.260 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.287 2.823 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 52 2.693 1.348 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.769 2.641 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.885 1.519 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.623 3.256 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.596 3.625 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.365 4.283 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.126 3.225 1.874 1.00 0.00 H new ATOM 789 N SER A 53 -1.092 2.500 -0.264 1.00 0.00 N ATOM 790 CA SER A 53 -2.142 3.319 -0.890 1.00 0.00 C ATOM 791 C SER A 53 -2.137 4.773 -0.414 1.00 0.00 C ATOM 792 O SER A 53 -2.002 5.053 0.777 1.00 0.00 O ATOM 793 CB SER A 53 -3.513 2.702 -0.626 1.00 0.00 C ATOM 794 OG SER A 53 -3.591 1.387 -1.148 1.00 0.00 O ATOM 0 H SER A 53 -1.247 2.295 0.723 1.00 0.00 H new ATOM 0 HA SER A 53 -1.929 3.331 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.706 2.683 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.287 3.322 -1.078 1.00 0.00 H new ATOM 0 HG SER A 53 -4.478 1.014 -0.964 1.00 0.00 H new ATOM 800 N ASP A 54 -2.308 5.695 -1.372 1.00 0.00 N ATOM 801 CA ASP A 54 -2.343 7.132 -1.084 1.00 0.00 C ATOM 802 C ASP A 54 -3.555 7.508 -0.247 1.00 0.00 C ATOM 803 O ASP A 54 -3.568 8.556 0.393 1.00 0.00 O ATOM 804 CB ASP A 54 -2.364 7.947 -2.381 1.00 0.00 C ATOM 805 CG ASP A 54 -2.012 9.405 -2.149 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.770 9.777 -0.981 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.968 10.171 -3.136 1.00 0.00 O ATOM 0 H ASP A 54 -2.425 5.467 -2.359 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.440 7.362 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.660 7.514 -3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.354 7.882 -2.833 1.00 0.00 H new ATOM 812 N ILE A 55 -4.570 6.651 -0.265 1.00 0.00 N ATOM 813 CA ILE A 55 -5.797 6.883 0.491 1.00 0.00 C ATOM 814 C ILE A 55 -6.331 8.310 0.302 1.00 0.00 C ATOM 815 O ILE A 55 -6.145 9.176 1.153 1.00 0.00 O ATOM 816 CB ILE A 55 -5.582 6.568 1.992 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.911 6.555 2.757 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.594 7.529 2.638 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.461 7.928 3.092 1.00 0.00 C ATOM 0 H ILE A 55 -4.567 5.782 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.553 6.204 0.098 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.151 5.568 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.651 6.017 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.776 5.996 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.472 7.273 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.631 7.455 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.970 8.549 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.402 7.821 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.745 8.465 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.633 8.486 2.171 1.00 0.00 H new ATOM 831 N ARG A 56 -7.011 8.538 -0.829 1.00 0.00 N ATOM 832 CA ARG A 56 -7.587 9.851 -1.140 1.00 0.00 C ATOM 833 C ARG A 56 -8.123 9.903 -2.573 1.00 0.00 C ATOM 834 O ARG A 56 -7.420 10.337 -3.485 1.00 0.00 O ATOM 835 CB ARG A 56 -6.538 10.955 -0.950 1.00 0.00 C ATOM 836 CG ARG A 56 -7.079 12.364 -1.155 1.00 0.00 C ATOM 837 CD ARG A 56 -6.504 13.339 -0.136 1.00 0.00 C ATOM 838 NE ARG A 56 -5.727 14.403 -0.770 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.691 15.013 -0.195 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.288 14.659 1.018 1.00 0.00 N ATOM 841 NH2 ARG A 56 -4.051 15.980 -0.840 1.00 0.00 N ATOM 0 H ARG A 56 -7.175 7.829 -1.544 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.418 10.013 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.123 10.879 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.718 10.787 -1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.837 12.704 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.166 12.352 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.316 13.779 0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.870 12.797 0.566 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.994 14.696 -1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.772 13.914 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.494 15.132 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.352 16.256 -1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.258 16.448 -0.401 1.00 0.00 H new ATOM 855 N MET A 57 -9.370 9.469 -2.773 1.00 0.00 N ATOM 856 CA MET A 57 -9.969 9.493 -4.107 1.00 0.00 C ATOM 857 C MET A 57 -11.504 9.350 -4.076 1.00 0.00 C ATOM 858 O MET A 57 -12.214 10.285 -4.444 1.00 0.00 O ATOM 859 CB MET A 57 -9.336 8.420 -5.000 1.00 0.00 C ATOM 860 CG MET A 57 -9.960 8.335 -6.384 1.00 0.00 C ATOM 861 SD MET A 57 -10.881 6.805 -6.645 1.00 0.00 S ATOM 862 CE MET A 57 -10.768 6.642 -8.424 1.00 0.00 C ATOM 0 H MET A 57 -9.976 9.102 -2.039 1.00 0.00 H new ATOM 0 HA MET A 57 -9.759 10.475 -4.531 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.271 8.627 -5.103 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.427 7.451 -4.509 1.00 0.00 H new ATOM 0 HG2 MET A 57 -10.627 9.184 -6.529 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.175 8.414 -7.136 1.00 0.00 H new ATOM 0 HE1 MET A 57 -11.434 5.847 -8.760 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.058 7.581 -8.895 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.743 6.398 -8.703 1.00 0.00 H new ATOM 872 N PRO A 58 -12.047 8.180 -3.663 1.00 0.00 N ATOM 873 CA PRO A 58 -13.506 7.952 -3.628 1.00 0.00 C ATOM 874 C PRO A 58 -14.202 8.612 -2.438 1.00 0.00 C ATOM 875 O PRO A 58 -13.631 9.467 -1.762 1.00 0.00 O ATOM 876 CB PRO A 58 -13.604 6.435 -3.503 1.00 0.00 C ATOM 877 CG PRO A 58 -12.387 6.061 -2.735 1.00 0.00 C ATOM 878 CD PRO A 58 -11.303 6.983 -3.224 1.00 0.00 C ATOM 0 HA PRO A 58 -13.996 8.379 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.513 6.135 -2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.623 5.954 -4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.548 6.178 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.121 5.018 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.590 7.220 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.736 6.539 -4.042 1.00 0.00 H new ATOM 886 N GLY A 59 -15.448 8.197 -2.196 1.00 0.00 N ATOM 887 CA GLY A 59 -16.224 8.741 -1.095 1.00 0.00 C ATOM 888 C GLY A 59 -15.561 8.532 0.252 1.00 0.00 C ATOM 889 O GLY A 59 -15.400 9.480 1.020 1.00 0.00 O ATOM 0 H GLY A 59 -15.933 7.490 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.378 9.808 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.209 8.275 -1.086 1.00 0.00 H new ATOM 893 N MET A 60 -15.164 7.294 0.544 1.00 0.00 N ATOM 894 CA MET A 60 -14.503 6.985 1.812 1.00 0.00 C ATOM 895 C MET A 60 -13.066 7.500 1.807 1.00 0.00 C ATOM 896 O MET A 60 -12.134 6.790 2.194 1.00 0.00 O ATOM 897 CB MET A 60 -14.518 5.478 2.074 1.00 0.00 C ATOM 898 CG MET A 60 -14.641 5.119 3.546 1.00 0.00 C ATOM 899 SD MET A 60 -16.253 4.426 3.963 1.00 0.00 S ATOM 900 CE MET A 60 -15.817 3.353 5.328 1.00 0.00 C ATOM 0 H MET A 60 -15.287 6.493 -0.076 1.00 0.00 H new ATOM 0 HA MET A 60 -15.051 7.484 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.349 5.031 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.603 5.039 1.676 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.863 4.401 3.807 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.467 6.010 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 60 -16.558 3.454 6.121 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.792 2.319 4.984 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.835 3.632 5.711 1.00 0.00 H new ATOM 910 N ASP A 61 -12.902 8.738 1.344 1.00 0.00 N ATOM 911 CA ASP A 61 -11.594 9.370 1.253 1.00 0.00 C ATOM 912 C ASP A 61 -10.664 8.502 0.425 1.00 0.00 C ATOM 913 O ASP A 61 -10.489 8.723 -0.767 1.00 0.00 O ATOM 914 CB ASP A 61 -11.006 9.613 2.646 1.00 0.00 C ATOM 915 CG ASP A 61 -10.955 11.087 3.003 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.122 11.811 2.419 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.748 11.516 3.868 1.00 0.00 O ATOM 0 H ASP A 61 -13.671 9.326 1.023 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.706 10.338 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.604 9.083 3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.000 9.196 2.691 1.00 0.00 H new ATOM 922 N GLY A 62 -10.092 7.502 1.067 1.00 0.00 N ATOM 923 CA GLY A 62 -9.202 6.593 0.383 1.00 0.00 C ATOM 924 C GLY A 62 -9.354 5.173 0.880 1.00 0.00 C ATOM 925 O GLY A 62 -9.191 4.221 0.120 1.00 0.00 O ATOM 0 H GLY A 62 -10.229 7.301 2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.402 6.626 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.171 6.919 0.525 1.00 0.00 H new ATOM 929 N LEU A 63 -9.684 5.026 2.162 1.00 0.00 N ATOM 930 CA LEU A 63 -9.873 3.706 2.746 1.00 0.00 C ATOM 931 C LEU A 63 -10.811 2.889 1.860 1.00 0.00 C ATOM 932 O LEU A 63 -10.729 1.662 1.813 1.00 0.00 O ATOM 933 CB LEU A 63 -10.424 3.808 4.177 1.00 0.00 C ATOM 934 CG LEU A 63 -9.779 4.886 5.067 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.533 6.200 4.951 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.735 4.438 6.523 1.00 0.00 C ATOM 0 H LEU A 63 -9.825 5.801 2.810 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.907 3.204 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.495 4.003 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.301 2.840 4.664 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.757 5.035 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.061 6.948 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.514 6.540 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.566 6.056 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.275 5.218 7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.749 4.253 6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.150 3.522 6.604 1.00 0.00 H new ATOM 948 N ALA A 64 -11.682 3.590 1.125 1.00 0.00 N ATOM 949 CA ALA A 64 -12.607 2.940 0.206 1.00 0.00 C ATOM 950 C ALA A 64 -11.835 2.064 -0.780 1.00 0.00 C ATOM 951 O ALA A 64 -12.326 1.028 -1.235 1.00 0.00 O ATOM 952 CB ALA A 64 -13.429 3.990 -0.532 1.00 0.00 C ATOM 0 H ALA A 64 -11.761 4.607 1.153 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.288 2.303 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.118 3.497 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.994 4.582 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.763 4.644 -1.095 1.00 0.00 H new ATOM 958 N LEU A 65 -10.611 2.488 -1.089 1.00 0.00 N ATOM 959 CA LEU A 65 -9.749 1.750 -2.000 1.00 0.00 C ATOM 960 C LEU A 65 -9.470 0.361 -1.442 1.00 0.00 C ATOM 961 O LEU A 65 -9.630 -0.646 -2.133 1.00 0.00 O ATOM 962 CB LEU A 65 -8.427 2.499 -2.214 1.00 0.00 C ATOM 963 CG LEU A 65 -8.484 3.689 -3.178 1.00 0.00 C ATOM 964 CD1 LEU A 65 -9.306 3.354 -4.410 1.00 0.00 C ATOM 965 CD2 LEU A 65 -9.039 4.919 -2.480 1.00 0.00 C ATOM 0 H LEU A 65 -10.196 3.343 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.258 1.657 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.072 2.856 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.686 1.791 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.467 3.908 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.330 4.216 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.857 2.507 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.323 3.099 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.071 5.752 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.046 4.709 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.399 5.179 -1.637 1.00 0.00 H new ATOM 977 N LEU A 66 -9.055 0.319 -0.179 1.00 0.00 N ATOM 978 CA LEU A 66 -8.754 -0.938 0.496 1.00 0.00 C ATOM 979 C LEU A 66 -9.889 -1.940 0.321 1.00 0.00 C ATOM 980 O LEU A 66 -9.653 -3.103 -0.008 1.00 0.00 O ATOM 981 CB LEU A 66 -8.491 -0.683 1.979 1.00 0.00 C ATOM 982 CG LEU A 66 -7.134 -0.048 2.278 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.983 0.229 3.764 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.012 -0.946 1.779 1.00 0.00 C ATOM 0 H LEU A 66 -8.919 1.148 0.400 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.859 -1.365 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.276 -0.035 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.563 -1.629 2.516 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.075 0.905 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.009 0.681 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.769 0.911 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.063 -0.706 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.050 -0.482 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.071 -1.913 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.110 -1.087 0.703 1.00 0.00 H new ATOM 996 N LYS A 67 -11.124 -1.486 0.529 1.00 0.00 N ATOM 997 CA LYS A 67 -12.285 -2.358 0.376 1.00 0.00 C ATOM 998 C LYS A 67 -12.226 -3.082 -0.965 1.00 0.00 C ATOM 999 O LYS A 67 -12.434 -4.292 -1.046 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.589 -1.561 0.468 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.637 -0.585 1.632 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.937 -0.711 2.414 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.042 0.135 1.800 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.696 -0.554 0.654 1.00 0.00 N ATOM 0 H LYS A 67 -11.344 -0.528 0.801 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.265 -3.087 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.732 -1.009 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.423 -2.257 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.793 -0.768 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.534 0.434 1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.248 -1.755 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.773 -0.403 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.789 0.364 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.627 1.085 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.547 -0.027 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.035 -0.599 -0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.964 -1.518 0.936 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.936 -2.331 -2.022 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.840 -2.907 -3.357 1.00 0.00 C ATOM 1020 C GLN A 68 -10.700 -3.915 -3.423 1.00 0.00 C ATOM 1021 O GLN A 68 -10.809 -4.955 -4.071 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.616 -1.812 -4.402 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.634 -0.688 -4.342 1.00 0.00 C ATOM 1024 CD GLN A 68 -14.039 -1.161 -4.654 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.368 -1.454 -5.803 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.878 -1.244 -3.627 1.00 0.00 N ATOM 0 H GLN A 68 -11.764 -1.326 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.779 -3.416 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.619 -1.393 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.642 -2.260 -5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.617 -0.240 -3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.351 0.092 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.564 -0.991 -2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.836 -1.561 -3.776 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.601 -3.592 -2.751 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.430 -4.458 -2.731 1.00 0.00 C ATOM 1037 C ILE A 69 -8.749 -5.816 -2.115 1.00 0.00 C ATOM 1038 O ILE A 69 -8.292 -6.850 -2.597 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.267 -3.800 -1.961 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.921 -2.446 -2.583 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.044 -4.706 -1.948 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.925 -1.646 -1.771 1.00 0.00 C ATOM 0 H ILE A 69 -9.497 -2.733 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.128 -4.610 -3.767 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.584 -3.643 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.517 -2.607 -3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.835 -1.864 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.237 -4.220 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.295 -5.650 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.722 -4.898 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.726 -0.698 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.335 -1.454 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.996 -2.209 -1.677 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.531 -5.803 -1.048 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.913 -7.032 -0.361 1.00 0.00 C ATOM 1056 C LYS A 70 -10.916 -7.835 -1.184 1.00 0.00 C ATOM 1057 O LYS A 70 -11.069 -9.040 -0.991 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.504 -6.712 1.013 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.798 -5.920 0.945 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.635 -6.090 2.203 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.885 -5.222 2.152 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.778 -5.454 3.321 1.00 0.00 N ATOM 0 H LYS A 70 -9.916 -4.953 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.015 -7.636 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.685 -7.644 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.772 -6.149 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.570 -4.864 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.376 -6.242 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.919 -7.136 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.040 -5.826 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.595 -4.172 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.432 -5.429 1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.616 -4.842 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.077 -6.450 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.266 -5.232 4.199 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.599 -7.158 -2.099 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.589 -7.804 -2.947 1.00 0.00 C ATOM 1078 C GLN A 71 -11.907 -8.658 -4.014 1.00 0.00 C ATOM 1079 O GLN A 71 -12.435 -9.687 -4.433 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.509 -6.736 -3.566 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.976 -7.012 -4.992 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.849 -5.795 -5.886 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -14.745 -5.489 -6.671 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -12.728 -5.091 -5.768 1.00 0.00 N ATOM 0 H GLN A 71 -11.484 -6.159 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.203 -8.475 -2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.388 -6.627 -2.930 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.985 -5.780 -3.553 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.391 -7.830 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.015 -7.340 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.011 -5.382 -5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.585 -4.260 -6.342 1.00 0.00 H new ATOM 1093 N ARG A 72 -10.732 -8.221 -4.442 1.00 0.00 N ATOM 1094 CA ARG A 72 -9.967 -8.941 -5.456 1.00 0.00 C ATOM 1095 C ARG A 72 -8.771 -9.652 -4.836 1.00 0.00 C ATOM 1096 O ARG A 72 -8.263 -10.630 -5.385 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.492 -7.981 -6.546 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.617 -7.447 -7.416 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.651 -8.136 -8.770 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.192 -7.264 -9.809 1.00 0.00 N ATOM 1101 CZ ARG A 72 -12.467 -6.888 -9.868 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -13.336 -7.320 -8.961 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.875 -6.081 -10.838 1.00 0.00 N ATOM 0 H ARG A 72 -10.284 -7.369 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.622 -9.690 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.974 -7.142 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.766 -8.492 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.571 -7.593 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.491 -6.373 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.643 -8.447 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.256 -9.040 -8.703 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.556 -6.924 -10.531 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.027 -7.943 -8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.312 -7.029 -9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.212 -5.749 -11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.852 -5.792 -10.884 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.323 -9.152 -3.694 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.184 -9.733 -2.996 1.00 0.00 C ATOM 1119 C HIS A 73 -7.406 -9.699 -1.488 1.00 0.00 C ATOM 1120 O HIS A 73 -6.986 -8.764 -0.807 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.903 -8.989 -3.372 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.815 -8.722 -4.836 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.445 -9.680 -5.751 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.114 -7.615 -5.548 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.524 -9.177 -6.967 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -5.932 -7.923 -6.876 1.00 0.00 N ATOM 0 H HIS A 73 -8.732 -8.342 -3.229 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.081 -10.775 -3.299 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.861 -8.045 -2.829 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.039 -9.575 -3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -5.155 -10.631 -5.524 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.436 -6.664 -5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.294 -9.701 -7.883 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.084 -10.729 -0.952 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.383 -10.830 0.481 1.00 0.00 C ATOM 1137 C PRO A 74 -7.167 -11.214 1.322 1.00 0.00 C ATOM 1138 O PRO A 74 -7.311 -11.619 2.475 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.435 -11.937 0.539 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.139 -12.798 -0.640 1.00 0.00 C ATOM 1141 CD PRO A 74 -8.624 -11.875 -1.710 1.00 0.00 C ATOM 0 HA PRO A 74 -8.711 -9.874 0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.366 -12.501 1.469 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.444 -11.528 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.399 -13.558 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.034 -13.322 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.854 -12.353 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.418 -11.567 -2.390 1.00 0.00 H new ATOM 1149 N MET A 75 -5.976 -11.095 0.747 1.00 0.00 N ATOM 1150 CA MET A 75 -4.754 -11.436 1.460 1.00 0.00 C ATOM 1151 C MET A 75 -3.594 -10.521 1.067 1.00 0.00 C ATOM 1152 O MET A 75 -2.465 -10.731 1.504 1.00 0.00 O ATOM 1153 CB MET A 75 -4.390 -12.894 1.193 1.00 0.00 C ATOM 1154 CG MET A 75 -5.563 -13.841 1.374 1.00 0.00 C ATOM 1155 SD MET A 75 -5.106 -15.570 1.130 1.00 0.00 S ATOM 1156 CE MET A 75 -6.527 -16.175 0.224 1.00 0.00 C ATOM 0 H MET A 75 -5.832 -10.766 -0.208 1.00 0.00 H new ATOM 0 HA MET A 75 -4.936 -11.295 2.525 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.009 -12.987 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.584 -13.190 1.864 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.974 -13.716 2.376 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.352 -13.575 0.670 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.392 -17.233 -0.000 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.426 -16.044 0.827 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.630 -15.617 -0.707 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.872 -9.513 0.238 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.845 -8.581 -0.210 1.00 0.00 C ATOM 1168 C LEU A 76 -2.479 -7.562 0.874 1.00 0.00 C ATOM 1169 O LEU A 76 -3.252 -6.645 1.155 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.305 -7.846 -1.468 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.287 -6.863 -2.039 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.221 -7.609 -2.821 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.969 -5.828 -2.916 1.00 0.00 C ATOM 0 H LEU A 76 -4.802 -9.324 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.955 -9.169 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.549 -8.582 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.224 -7.306 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.810 -6.340 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.500 -6.897 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.709 -8.310 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.687 -8.156 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.223 -5.138 -3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.476 -6.328 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.698 -5.274 -2.325 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.287 -7.694 1.486 1.00 0.00 N ATOM 1186 CA PRO A 77 -0.823 -6.763 2.523 1.00 0.00 C ATOM 1187 C PRO A 77 -0.749 -5.328 2.003 1.00 0.00 C ATOM 1188 O PRO A 77 -0.039 -5.047 1.038 1.00 0.00 O ATOM 1189 CB PRO A 77 0.583 -7.270 2.872 1.00 0.00 C ATOM 1190 CG PRO A 77 0.622 -8.680 2.392 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.297 -8.745 1.206 1.00 0.00 C ATOM 0 HA PRO A 77 -1.500 -6.737 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.350 -6.668 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.766 -7.214 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.636 -8.969 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.297 -9.366 3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.236 -8.557 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.766 -9.725 1.114 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.486 -4.424 2.643 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.500 -3.022 2.232 1.00 0.00 C ATOM 1201 C VAL A 78 -1.037 -2.094 3.354 1.00 0.00 C ATOM 1202 O VAL A 78 -1.215 -2.380 4.543 1.00 0.00 O ATOM 1203 CB VAL A 78 -2.899 -2.564 1.768 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.786 -1.343 0.867 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.636 -3.690 1.056 1.00 0.00 C ATOM 0 H VAL A 78 -2.079 -4.635 3.445 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.805 -2.957 1.395 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.477 -2.292 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.781 -1.033 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.310 -0.530 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.186 -1.591 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.618 -3.339 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.065 -4.004 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.753 -4.535 1.735 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.447 -0.976 2.952 1.00 0.00 N ATOM 1216 CA ILE A 79 0.051 0.026 3.884 1.00 0.00 C ATOM 1217 C ILE A 79 -0.429 1.412 3.453 1.00 0.00 C ATOM 1218 O ILE A 79 -0.097 1.880 2.368 1.00 0.00 O ATOM 1219 CB ILE A 79 1.590 0.012 3.940 1.00 0.00 C ATOM 1220 CG1 ILE A 79 2.109 -1.417 4.126 1.00 0.00 C ATOM 1221 CG2 ILE A 79 2.097 0.915 5.052 1.00 0.00 C ATOM 1222 CD1 ILE A 79 3.305 -1.735 3.258 1.00 0.00 C ATOM 0 H ILE A 79 -0.300 -0.739 1.971 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.334 -0.209 4.876 1.00 0.00 H new ATOM 0 HB ILE A 79 1.969 0.394 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.378 -1.566 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.307 -2.120 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.187 0.890 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.761 1.936 4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.707 0.568 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.623 -2.762 3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.034 -1.618 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.122 -1.055 3.500 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.238 2.050 4.284 1.00 0.00 N ATOM 1235 CA ILE A 80 -1.785 3.361 3.946 1.00 0.00 C ATOM 1236 C ILE A 80 -0.933 4.511 4.491 1.00 0.00 C ATOM 1237 O ILE A 80 -0.452 4.457 5.621 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.233 3.489 4.453 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.014 2.209 4.146 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -3.910 4.681 3.811 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -3.948 1.789 2.695 1.00 0.00 C ATOM 0 H ILE A 80 -1.531 1.688 5.191 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.774 3.437 2.859 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.214 3.638 5.533 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.628 1.401 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.057 2.355 4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.933 4.760 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.363 5.589 4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.922 4.553 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.525 0.875 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.362 2.579 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.910 1.610 2.415 1.00 0.00 H new ATOM 1253 N MET A 81 -0.746 5.545 3.659 1.00 0.00 N ATOM 1254 CA MET A 81 0.062 6.715 4.031 1.00 0.00 C ATOM 1255 C MET A 81 -0.746 7.765 4.804 1.00 0.00 C ATOM 1256 O MET A 81 -0.173 8.654 5.429 1.00 0.00 O ATOM 1257 CB MET A 81 0.716 7.356 2.800 1.00 0.00 C ATOM 1258 CG MET A 81 -0.091 7.272 1.515 1.00 0.00 C ATOM 1259 SD MET A 81 0.618 6.105 0.332 1.00 0.00 S ATOM 1260 CE MET A 81 2.291 6.727 0.177 1.00 0.00 C ATOM 0 H MET A 81 -1.145 5.595 2.721 1.00 0.00 H new ATOM 0 HA MET A 81 0.844 6.347 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.911 8.406 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.682 6.880 2.634 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.112 6.972 1.749 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.146 8.260 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.695 6.445 -0.795 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.285 7.813 0.266 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.912 6.302 0.965 1.00 0.00 H new ATOM 1270 N THR A 82 -2.071 7.659 4.769 1.00 0.00 N ATOM 1271 CA THR A 82 -2.937 8.600 5.484 1.00 0.00 C ATOM 1272 C THR A 82 -4.207 7.891 5.970 1.00 0.00 C ATOM 1273 O THR A 82 -4.531 6.800 5.502 1.00 0.00 O ATOM 1274 CB THR A 82 -3.302 9.789 4.583 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.190 10.190 3.800 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.773 11.006 5.352 1.00 0.00 C ATOM 0 H THR A 82 -2.571 6.933 4.255 1.00 0.00 H new ATOM 0 HA THR A 82 -2.394 8.978 6.350 1.00 0.00 H new ATOM 0 HB THR A 82 -4.120 9.430 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.498 10.466 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.014 11.807 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.661 10.750 5.930 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.984 11.338 6.027 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.925 8.507 6.907 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.153 7.915 7.433 1.00 0.00 C ATOM 1286 C ALA A 83 -7.378 8.716 6.994 1.00 0.00 C ATOM 1287 O ALA A 83 -8.366 8.155 6.522 1.00 0.00 O ATOM 1288 CB ALA A 83 -6.104 7.832 8.949 1.00 0.00 C ATOM 0 H ALA A 83 -4.680 9.409 7.315 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.235 6.906 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.028 7.388 9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.258 7.215 9.252 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.990 8.833 9.365 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.295 10.036 7.153 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.379 10.938 6.778 1.00 0.00 C ATOM 1296 C HIS A 84 -9.741 10.417 7.236 1.00 0.00 C ATOM 1297 O HIS A 84 -10.645 10.206 6.429 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.369 11.156 5.268 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.384 12.192 4.830 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.005 13.253 5.624 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -6.680 12.318 3.680 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.113 13.984 4.984 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -5.894 13.439 3.802 1.00 0.00 N ATOM 0 H HIS A 84 -6.479 10.507 7.543 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.214 11.890 7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.139 10.213 4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.367 11.452 4.943 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -7.359 13.443 6.561 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.727 11.660 2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.641 14.878 5.363 1.00 0.00 H new ATOM 1312 N SER A 85 -9.881 10.230 8.547 1.00 0.00 N ATOM 1313 CA SER A 85 -11.130 9.754 9.132 1.00 0.00 C ATOM 1314 C SER A 85 -11.620 8.477 8.458 1.00 0.00 C ATOM 1315 O SER A 85 -10.907 7.868 7.659 1.00 0.00 O ATOM 1316 CB SER A 85 -12.203 10.839 9.032 1.00 0.00 C ATOM 1317 OG SER A 85 -12.515 11.363 10.310 1.00 0.00 O ATOM 0 H SER A 85 -9.140 10.402 9.226 1.00 0.00 H new ATOM 0 HA SER A 85 -10.937 9.525 10.180 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.855 11.641 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.102 10.425 8.575 1.00 0.00 H new ATOM 0 HG SER A 85 -13.202 12.056 10.221 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.845 8.080 8.790 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.440 6.878 8.222 1.00 0.00 C ATOM 1325 C ASP A 86 -12.595 5.652 8.559 1.00 0.00 C ATOM 1326 O ASP A 86 -12.530 4.695 7.787 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.584 7.027 6.706 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.396 8.246 6.314 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.194 8.723 7.148 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.232 8.725 5.172 1.00 0.00 O ATOM 0 H ASP A 86 -13.444 8.575 9.450 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.431 6.742 8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.594 7.095 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.058 6.133 6.300 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.953 5.691 9.726 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.107 4.591 10.193 1.00 0.00 C ATOM 1337 C LEU A 87 -11.794 3.235 10.019 1.00 0.00 C ATOM 1338 O LEU A 87 -11.136 2.198 9.937 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.752 4.804 11.669 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.293 4.529 12.044 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.973 3.048 11.912 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.353 5.362 11.185 1.00 0.00 C ATOM 0 H LEU A 87 -12.003 6.480 10.371 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.200 4.586 9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.989 5.834 11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.391 4.162 12.275 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.148 4.816 13.086 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.932 2.875 12.183 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.621 2.475 12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.137 2.731 10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.321 5.153 11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.501 5.110 10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.563 6.421 11.337 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.121 3.255 9.978 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.916 2.038 9.833 1.00 0.00 C ATOM 1356 C ASP A 88 -13.400 1.140 8.707 1.00 0.00 C ATOM 1357 O ASP A 88 -13.284 -0.073 8.880 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.380 2.400 9.576 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.185 2.512 10.856 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.273 1.507 11.591 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.728 3.606 11.122 1.00 0.00 O ATOM 0 H ASP A 88 -13.675 4.109 10.044 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.829 1.479 10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.427 3.346 9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.830 1.644 8.933 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.101 1.730 7.552 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.612 0.958 6.416 1.00 0.00 C ATOM 1368 C ALA A 89 -11.194 0.454 6.655 1.00 0.00 C ATOM 1369 O ALA A 89 -10.767 -0.531 6.051 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.679 1.780 5.140 1.00 0.00 C ATOM 0 H ALA A 89 -13.188 2.732 7.380 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.260 0.089 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.310 1.186 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.712 2.072 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.064 2.673 5.250 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.471 1.129 7.539 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.104 0.741 7.859 1.00 0.00 C ATOM 1378 C ALA A 90 -9.078 -0.604 8.570 1.00 0.00 C ATOM 1379 O ALA A 90 -8.278 -1.480 8.236 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.442 1.796 8.729 1.00 0.00 C ATOM 0 H ALA A 90 -10.808 1.947 8.047 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.550 0.653 6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.421 1.490 8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.425 2.747 8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.004 1.908 9.656 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.953 -0.759 9.557 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.024 -1.996 10.320 1.00 0.00 C ATOM 1388 C VAL A 91 -10.377 -3.174 9.425 1.00 0.00 C ATOM 1389 O VAL A 91 -9.870 -4.280 9.611 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.046 -1.906 11.466 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -10.882 -3.090 12.403 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -10.889 -0.593 12.219 1.00 0.00 C ATOM 0 H VAL A 91 -10.621 -0.044 9.846 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.034 -2.153 10.749 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.051 -1.934 11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.610 -3.018 13.211 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.043 -4.016 11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.875 -3.087 12.820 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.620 -0.547 13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.884 -0.531 12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.050 0.240 11.535 1.00 0.00 H new ATOM 1402 N SER A 92 -11.243 -2.933 8.448 1.00 0.00 N ATOM 1403 CA SER A 92 -11.650 -3.979 7.519 1.00 0.00 C ATOM 1404 C SER A 92 -10.441 -4.502 6.751 1.00 0.00 C ATOM 1405 O SER A 92 -10.293 -5.707 6.536 1.00 0.00 O ATOM 1406 CB SER A 92 -12.699 -3.442 6.542 1.00 0.00 C ATOM 1407 OG SER A 92 -13.868 -3.021 7.224 1.00 0.00 O ATOM 0 H SER A 92 -11.676 -2.025 8.279 1.00 0.00 H new ATOM 0 HA SER A 92 -12.087 -4.799 8.089 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.282 -2.606 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.956 -4.216 5.819 1.00 0.00 H new ATOM 0 HG SER A 92 -14.520 -2.681 6.576 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.570 -3.584 6.344 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.369 -3.943 5.604 1.00 0.00 C ATOM 1415 C ALA A 93 -7.549 -4.977 6.359 1.00 0.00 C ATOM 1416 O ALA A 93 -7.146 -5.998 5.805 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.535 -2.705 5.319 1.00 0.00 C ATOM 0 H ALA A 93 -9.675 -2.584 6.516 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.674 -4.385 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.640 -2.989 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.120 -2.001 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.246 -2.236 6.260 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.317 -4.704 7.632 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.551 -5.613 8.481 1.00 0.00 C ATOM 1425 C TYR A 94 -7.107 -7.029 8.389 1.00 0.00 C ATOM 1426 O TYR A 94 -6.383 -8.008 8.571 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.571 -5.135 9.935 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.239 -3.669 10.097 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.276 -3.065 9.299 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -6.893 -2.888 11.041 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.972 -1.725 9.439 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.596 -1.546 11.185 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.636 -0.969 10.382 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.338 0.367 10.522 1.00 0.00 O ATOM 0 H TYR A 94 -7.646 -3.862 8.104 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.520 -5.619 8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.558 -5.324 10.357 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.860 -5.726 10.512 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.756 -3.653 8.557 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.646 -3.337 11.673 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.218 -1.271 8.813 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.114 -0.952 11.924 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.895 0.754 11.229 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.399 -7.123 8.098 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.063 -8.413 7.971 1.00 0.00 C ATOM 1446 C GLN A 95 -8.592 -9.130 6.706 1.00 0.00 C ATOM 1447 O GLN A 95 -8.383 -10.342 6.708 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.595 -8.234 7.985 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.287 -8.417 6.635 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.398 -7.413 6.398 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.304 -6.685 5.290 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -13.329 -7.295 7.196 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.008 -6.319 7.945 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.795 -9.035 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.021 -8.946 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.824 -7.236 8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.548 -8.327 5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.697 -9.425 6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.359 -7.876 8.034 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.070 -6.616 7.019 1.00 0.00 H new ATOM 1461 N GLN A 96 -8.424 -8.366 5.628 1.00 0.00 N ATOM 1462 CA GLN A 96 -7.974 -8.928 4.363 1.00 0.00 C ATOM 1463 C GLN A 96 -6.471 -9.179 4.380 1.00 0.00 C ATOM 1464 O GLN A 96 -5.956 -9.939 3.566 1.00 0.00 O ATOM 1465 CB GLN A 96 -8.328 -7.998 3.201 1.00 0.00 C ATOM 1466 CG GLN A 96 -7.570 -6.679 3.223 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.314 -6.119 1.838 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -6.690 -6.769 0.997 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.798 -4.908 1.593 1.00 0.00 N ATOM 0 H GLN A 96 -8.593 -7.360 5.608 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.486 -9.880 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.122 -8.510 2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.398 -7.793 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.136 -5.951 3.804 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.617 -6.822 3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.309 -4.406 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.659 -4.479 0.678 1.00 0.00 H new ATOM 1478 N GLY A 97 -5.767 -8.541 5.311 1.00 0.00 N ATOM 1479 CA GLY A 97 -4.331 -8.726 5.401 1.00 0.00 C ATOM 1480 C GLY A 97 -3.555 -7.421 5.413 1.00 0.00 C ATOM 1481 O GLY A 97 -2.324 -7.433 5.398 1.00 0.00 O ATOM 0 H GLY A 97 -6.164 -7.903 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.100 -9.286 6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.997 -9.331 4.559 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.261 -6.291 5.445 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.602 -4.989 5.464 1.00 0.00 C ATOM 1487 C ALA A 98 -2.580 -4.917 6.594 1.00 0.00 C ATOM 1488 O ALA A 98 -2.871 -5.302 7.726 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.624 -3.870 5.595 1.00 0.00 C ATOM 0 H ALA A 98 -5.280 -6.252 5.458 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.075 -4.862 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.111 -2.908 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.311 -3.904 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.183 -3.995 6.522 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.379 -4.438 6.281 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.323 -4.341 7.282 1.00 0.00 C ATOM 1497 C PHE A 99 -0.692 -3.363 8.389 1.00 0.00 C ATOM 1498 O PHE A 99 -0.646 -3.712 9.569 1.00 0.00 O ATOM 1499 CB PHE A 99 1.000 -3.921 6.639 1.00 0.00 C ATOM 1500 CG PHE A 99 2.176 -3.994 7.579 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.280 -5.018 8.508 1.00 0.00 C ATOM 1502 CD2 PHE A 99 3.178 -3.039 7.529 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.360 -5.087 9.368 1.00 0.00 C ATOM 1504 CE2 PHE A 99 4.261 -3.103 8.385 1.00 0.00 C ATOM 1505 CZ PHE A 99 4.353 -4.128 9.306 1.00 0.00 C ATOM 0 H PHE A 99 -1.115 -4.114 5.351 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.205 -5.330 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.194 -4.559 5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.906 -2.901 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.508 -5.771 8.560 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.112 -2.234 6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.428 -5.890 10.088 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.035 -2.352 8.334 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.199 -4.180 9.976 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.054 -2.136 8.013 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.421 -1.120 9.005 1.00 0.00 C ATOM 1517 C ASP A 100 -1.699 0.237 8.356 1.00 0.00 C ATOM 1518 O ASP A 100 -1.944 0.327 7.153 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.307 -0.975 10.050 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.853 -0.827 11.456 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.063 -1.861 12.124 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.073 0.324 11.889 1.00 0.00 O ATOM 0 H ASP A 100 -1.101 -1.823 7.044 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.339 -1.454 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.345 -1.847 10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.305 -0.107 9.807 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.652 1.292 9.173 1.00 0.00 N ATOM 1528 CA TYR A 101 -1.890 2.653 8.703 1.00 0.00 C ATOM 1529 C TYR A 101 -0.807 3.587 9.230 1.00 0.00 C ATOM 1530 O TYR A 101 -0.433 3.520 10.401 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.273 3.145 9.153 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.341 2.991 8.097 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -4.892 1.748 7.810 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.787 4.090 7.378 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -5.857 1.607 6.832 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.754 3.957 6.404 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.286 2.716 6.134 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.238 2.578 5.149 1.00 0.00 O ATOM 0 H TYR A 101 -1.449 1.225 10.170 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.859 2.652 7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.573 2.595 10.045 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.202 4.195 9.436 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.561 0.879 8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.371 5.065 7.584 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.273 0.634 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.093 4.823 5.855 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.093 3.256 4.457 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.300 4.452 8.361 1.00 0.00 N ATOM 1549 CA LEU A 102 0.746 5.391 8.745 1.00 0.00 C ATOM 1550 C LEU A 102 0.346 6.822 8.396 1.00 0.00 C ATOM 1551 O LEU A 102 -0.175 7.075 7.313 1.00 0.00 O ATOM 1552 CB LEU A 102 2.064 5.019 8.052 1.00 0.00 C ATOM 1553 CG LEU A 102 2.182 5.458 6.589 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.002 6.728 6.479 1.00 0.00 C ATOM 1555 CD2 LEU A 102 2.801 4.357 5.737 1.00 0.00 C ATOM 0 H LEU A 102 -0.595 4.523 7.387 1.00 0.00 H new ATOM 0 HA LEU A 102 0.885 5.333 9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.888 5.460 8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.188 3.937 8.100 1.00 0.00 H new ATOM 0 HG LEU A 102 1.177 5.656 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.075 7.024 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.520 7.523 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.001 6.551 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.873 4.694 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.797 4.123 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.176 3.465 5.785 1.00 0.00 H new ATOM 1567 N PRO A 103 0.584 7.782 9.308 1.00 0.00 N ATOM 1568 CA PRO A 103 0.242 9.188 9.072 1.00 0.00 C ATOM 1569 C PRO A 103 0.801 9.695 7.746 1.00 0.00 C ATOM 1570 O PRO A 103 1.571 8.998 7.086 1.00 0.00 O ATOM 1571 CB PRO A 103 0.896 9.917 10.246 1.00 0.00 C ATOM 1572 CG PRO A 103 0.996 8.894 11.325 1.00 0.00 C ATOM 1573 CD PRO A 103 1.203 7.575 10.632 1.00 0.00 C ATOM 0 HA PRO A 103 -0.835 9.345 9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.879 10.302 9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.297 10.770 10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.825 9.116 11.996 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.090 8.878 11.932 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.261 7.328 10.546 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.728 6.758 11.174 1.00 0.00 H new ATOM 1581 N LYS A 104 0.411 10.912 7.359 1.00 0.00 N ATOM 1582 CA LYS A 104 0.876 11.507 6.103 1.00 0.00 C ATOM 1583 C LYS A 104 2.367 11.249 5.874 1.00 0.00 C ATOM 1584 O LYS A 104 2.755 10.783 4.804 1.00 0.00 O ATOM 1585 CB LYS A 104 0.589 13.010 6.070 1.00 0.00 C ATOM 1586 CG LYS A 104 0.738 13.629 4.685 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.056 12.868 3.627 1.00 0.00 C ATOM 1588 CE LYS A 104 0.862 12.123 2.666 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.102 11.293 1.685 1.00 0.00 N ATOM 0 H LYS A 104 -0.224 11.503 7.895 1.00 0.00 H new ATOM 0 HA LYS A 104 0.323 11.027 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.425 13.186 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.265 13.516 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.402 14.666 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.792 13.643 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.726 12.160 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.680 13.565 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.481 12.841 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.537 11.483 3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.551 11.363 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.102 10.301 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.878 11.637 1.625 1.00 0.00 H new ATOM 1603 N PRO A 105 3.235 11.520 6.871 1.00 0.00 N ATOM 1604 CA PRO A 105 4.672 11.280 6.733 1.00 0.00 C ATOM 1605 C PRO A 105 4.934 9.889 6.172 1.00 0.00 C ATOM 1606 O PRO A 105 4.040 9.050 6.158 1.00 0.00 O ATOM 1607 CB PRO A 105 5.223 11.407 8.162 1.00 0.00 C ATOM 1608 CG PRO A 105 4.022 11.508 9.051 1.00 0.00 C ATOM 1609 CD PRO A 105 2.911 12.057 8.199 1.00 0.00 C ATOM 0 HA PRO A 105 5.146 11.980 6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.833 10.543 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.858 12.287 8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.755 10.532 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.221 12.162 9.900 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.932 11.724 8.544 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.896 13.147 8.204 1.00 0.00 H new ATOM 1617 N PHE A 106 6.146 9.647 5.699 1.00 0.00 N ATOM 1618 CA PHE A 106 6.491 8.354 5.134 1.00 0.00 C ATOM 1619 C PHE A 106 7.887 8.377 4.527 1.00 0.00 C ATOM 1620 O PHE A 106 8.862 8.065 5.206 1.00 0.00 O ATOM 1621 CB PHE A 106 5.468 7.884 4.093 1.00 0.00 C ATOM 1622 CG PHE A 106 4.768 8.972 3.330 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.357 10.209 3.119 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.514 8.733 2.807 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.700 11.189 2.400 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.851 9.705 2.085 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.446 10.937 1.881 1.00 0.00 C ATOM 0 H PHE A 106 6.905 10.328 5.695 1.00 0.00 H new ATOM 0 HA PHE A 106 6.476 7.639 5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.975 7.234 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.716 7.278 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.339 10.409 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.045 7.773 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.167 12.150 2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.870 9.504 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.930 11.700 1.317 1.00 0.00 H new ATOM 1637 N ASP A 107 7.989 8.716 3.240 1.00 0.00 N ATOM 1638 CA ASP A 107 9.276 8.734 2.566 1.00 0.00 C ATOM 1639 C ASP A 107 9.978 7.410 2.811 1.00 0.00 C ATOM 1640 O ASP A 107 9.423 6.523 3.448 1.00 0.00 O ATOM 1641 CB ASP A 107 10.140 9.918 3.026 1.00 0.00 C ATOM 1642 CG ASP A 107 10.622 9.794 4.459 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.285 8.787 4.780 1.00 0.00 O ATOM 1644 OD2 ASP A 107 10.340 10.709 5.262 1.00 0.00 O ATOM 0 H ASP A 107 7.198 8.979 2.652 1.00 0.00 H new ATOM 0 HA ASP A 107 9.115 8.865 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.004 10.005 2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.566 10.839 2.922 1.00 0.00 H new ATOM 1649 N ILE A 108 11.171 7.256 2.293 1.00 0.00 N ATOM 1650 CA ILE A 108 11.883 6.007 2.459 1.00 0.00 C ATOM 1651 C ILE A 108 12.011 5.603 3.914 1.00 0.00 C ATOM 1652 O ILE A 108 11.723 4.463 4.277 1.00 0.00 O ATOM 1653 CB ILE A 108 13.264 6.069 1.775 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.115 5.705 0.302 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.302 5.172 2.448 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.942 6.392 -0.363 1.00 0.00 C ATOM 0 H ILE A 108 11.668 7.969 1.758 1.00 0.00 H new ATOM 0 HA ILE A 108 11.290 5.234 1.971 1.00 0.00 H new ATOM 0 HB ILE A 108 13.634 7.090 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.031 5.970 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.996 4.625 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.253 5.258 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.432 5.480 3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.963 4.137 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.890 6.092 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.019 6.107 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.071 7.473 -0.301 1.00 0.00 H new ATOM 1668 N ASP A 109 12.450 6.520 4.733 1.00 0.00 N ATOM 1669 CA ASP A 109 12.631 6.231 6.143 1.00 0.00 C ATOM 1670 C ASP A 109 11.377 5.620 6.771 1.00 0.00 C ATOM 1671 O ASP A 109 11.432 4.523 7.320 1.00 0.00 O ATOM 1672 CB ASP A 109 13.025 7.501 6.896 1.00 0.00 C ATOM 1673 CG ASP A 109 13.803 7.203 8.162 1.00 0.00 C ATOM 1674 OD1 ASP A 109 14.658 6.294 8.131 1.00 0.00 O ATOM 1675 OD2 ASP A 109 13.557 7.878 9.184 1.00 0.00 O ATOM 0 H ASP A 109 12.690 7.472 4.457 1.00 0.00 H new ATOM 0 HA ASP A 109 13.431 5.496 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.626 8.135 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.127 8.064 7.149 1.00 0.00 H new ATOM 1680 N GLU A 110 10.258 6.338 6.711 1.00 0.00 N ATOM 1681 CA GLU A 110 9.017 5.869 7.309 1.00 0.00 C ATOM 1682 C GLU A 110 8.249 4.892 6.418 1.00 0.00 C ATOM 1683 O GLU A 110 7.507 4.052 6.928 1.00 0.00 O ATOM 1684 CB GLU A 110 8.110 7.052 7.672 1.00 0.00 C ATOM 1685 CG GLU A 110 8.779 8.156 8.471 1.00 0.00 C ATOM 1686 CD GLU A 110 8.796 7.872 9.961 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.763 8.109 10.622 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.842 7.414 10.466 1.00 0.00 O ATOM 0 H GLU A 110 10.188 7.247 6.253 1.00 0.00 H new ATOM 0 HA GLU A 110 9.304 5.328 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.713 7.481 6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.260 6.676 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.802 8.285 8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.258 9.096 8.290 1.00 0.00 H new ATOM 1695 N ALA A 111 8.404 4.989 5.101 1.00 0.00 N ATOM 1696 CA ALA A 111 7.688 4.092 4.207 1.00 0.00 C ATOM 1697 C ALA A 111 8.434 2.776 4.048 1.00 0.00 C ATOM 1698 O ALA A 111 7.844 1.705 4.178 1.00 0.00 O ATOM 1699 CB ALA A 111 7.407 4.747 2.859 1.00 0.00 C ATOM 0 H ALA A 111 9.008 5.668 4.638 1.00 0.00 H new ATOM 0 HA ALA A 111 6.721 3.873 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.871 4.046 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.800 5.640 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.349 5.024 2.385 1.00 0.00 H new ATOM 1705 N VAL A 112 9.741 2.849 3.803 1.00 0.00 N ATOM 1706 CA VAL A 112 10.535 1.634 3.676 1.00 0.00 C ATOM 1707 C VAL A 112 10.508 0.871 4.989 1.00 0.00 C ATOM 1708 O VAL A 112 10.551 -0.356 5.019 1.00 0.00 O ATOM 1709 CB VAL A 112 11.997 1.916 3.291 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.754 0.607 3.123 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.064 2.748 2.023 1.00 0.00 C ATOM 0 H VAL A 112 10.262 3.719 3.691 1.00 0.00 H new ATOM 0 HA VAL A 112 10.091 1.045 2.874 1.00 0.00 H new ATOM 0 HB VAL A 112 12.468 2.487 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.788 0.817 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.732 0.051 4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.285 0.014 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.106 2.937 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.582 2.208 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.552 3.697 2.183 1.00 0.00 H new ATOM 1721 N ALA A 113 10.420 1.617 6.076 1.00 0.00 N ATOM 1722 CA ALA A 113 10.361 1.029 7.399 1.00 0.00 C ATOM 1723 C ALA A 113 9.127 0.151 7.527 1.00 0.00 C ATOM 1724 O ALA A 113 9.196 -0.994 7.973 1.00 0.00 O ATOM 1725 CB ALA A 113 10.311 2.126 8.444 1.00 0.00 C ATOM 0 H ALA A 113 10.388 2.636 6.066 1.00 0.00 H new ATOM 0 HA ALA A 113 11.251 0.419 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.267 1.680 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.204 2.746 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.426 2.742 8.283 1.00 0.00 H new ATOM 1731 N LEU A 114 7.996 0.724 7.144 1.00 0.00 N ATOM 1732 CA LEU A 114 6.716 0.044 7.218 1.00 0.00 C ATOM 1733 C LEU A 114 6.544 -0.995 6.114 1.00 0.00 C ATOM 1734 O LEU A 114 5.713 -1.892 6.236 1.00 0.00 O ATOM 1735 CB LEU A 114 5.579 1.068 7.148 1.00 0.00 C ATOM 1736 CG LEU A 114 4.305 0.693 7.913 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.635 0.255 9.332 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.334 1.864 7.936 1.00 0.00 C ATOM 0 H LEU A 114 7.942 1.673 6.774 1.00 0.00 H new ATOM 0 HA LEU A 114 6.685 -0.485 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.946 2.019 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.320 1.226 6.101 1.00 0.00 H new ATOM 0 HG LEU A 114 3.833 -0.143 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.715 -0.006 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.294 -0.613 9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.133 1.070 9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.435 1.580 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.804 2.717 8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.067 2.135 6.915 1.00 0.00 H new ATOM 1750 N VAL A 115 7.304 -0.871 5.030 1.00 0.00 N ATOM 1751 CA VAL A 115 7.181 -1.819 3.925 1.00 0.00 C ATOM 1752 C VAL A 115 7.910 -3.130 4.204 1.00 0.00 C ATOM 1753 O VAL A 115 7.347 -4.212 4.032 1.00 0.00 O ATOM 1754 CB VAL A 115 7.666 -1.229 2.578 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.182 -1.231 2.479 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.059 -2.002 1.416 1.00 0.00 C ATOM 0 H VAL A 115 8.000 -0.138 4.892 1.00 0.00 H new ATOM 0 HA VAL A 115 6.114 -2.027 3.841 1.00 0.00 H new ATOM 0 HB VAL A 115 7.333 -0.192 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.485 -0.810 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.600 -0.631 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.550 -2.254 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.408 -1.577 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.362 -3.047 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.972 -1.936 1.463 1.00 0.00 H new ATOM 1766 N GLU A 116 9.163 -3.032 4.629 1.00 0.00 N ATOM 1767 CA GLU A 116 9.959 -4.213 4.921 1.00 0.00 C ATOM 1768 C GLU A 116 9.376 -4.974 6.105 1.00 0.00 C ATOM 1769 O GLU A 116 9.255 -6.199 6.068 1.00 0.00 O ATOM 1770 CB GLU A 116 11.407 -3.817 5.202 1.00 0.00 C ATOM 1771 CG GLU A 116 12.166 -3.399 3.953 1.00 0.00 C ATOM 1772 CD GLU A 116 13.667 -3.398 4.154 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.137 -2.747 5.111 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.373 -4.046 3.355 1.00 0.00 O ATOM 0 H GLU A 116 9.648 -2.147 4.779 1.00 0.00 H new ATOM 0 HA GLU A 116 9.938 -4.868 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.420 -2.996 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 116 11.922 -4.656 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.913 -4.075 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.843 -2.402 3.653 1.00 0.00 H new ATOM 1781 N ARG A 117 9.001 -4.241 7.146 1.00 0.00 N ATOM 1782 CA ARG A 117 8.414 -4.850 8.331 1.00 0.00 C ATOM 1783 C ARG A 117 7.092 -5.530 7.981 1.00 0.00 C ATOM 1784 O ARG A 117 6.653 -6.449 8.672 1.00 0.00 O ATOM 1785 CB ARG A 117 8.196 -3.797 9.422 1.00 0.00 C ATOM 1786 CG ARG A 117 9.484 -3.156 9.919 1.00 0.00 C ATOM 1787 CD ARG A 117 9.914 -3.725 11.263 1.00 0.00 C ATOM 1788 NE ARG A 117 11.094 -3.045 11.796 1.00 0.00 N ATOM 1789 CZ ARG A 117 12.249 -3.651 12.079 1.00 0.00 C ATOM 1790 NH1 ARG A 117 12.395 -4.958 11.895 1.00 0.00 N ATOM 1791 NH2 ARG A 117 13.267 -2.942 12.551 1.00 0.00 N ATOM 0 H ARG A 117 9.093 -3.226 7.193 1.00 0.00 H new ATOM 0 HA ARG A 117 9.104 -5.604 8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.538 -3.018 9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.682 -4.260 10.264 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.276 -3.315 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.344 -2.079 10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.092 -3.635 11.974 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.127 -4.788 11.155 1.00 0.00 H new ATOM 0 HE ARG A 117 11.030 -2.041 11.963 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.619 -5.512 11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.283 -5.408 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.165 -1.938 12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.151 -3.402 12.768 1.00 0.00 H new ATOM 1805 N ALA A 118 6.469 -5.072 6.900 1.00 0.00 N ATOM 1806 CA ALA A 118 5.203 -5.632 6.446 1.00 0.00 C ATOM 1807 C ALA A 118 5.405 -7.004 5.822 1.00 0.00 C ATOM 1808 O ALA A 118 4.707 -7.961 6.156 1.00 0.00 O ATOM 1809 CB ALA A 118 4.538 -4.702 5.442 1.00 0.00 C ATOM 0 H ALA A 118 6.823 -4.311 6.320 1.00 0.00 H new ATOM 0 HA ALA A 118 4.555 -5.739 7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.594 -5.136 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.350 -3.736 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.194 -4.567 4.582 1.00 0.00 H new ATOM 1815 N ILE A 119 6.365 -7.088 4.909 1.00 0.00 N ATOM 1816 CA ILE A 119 6.667 -8.336 4.226 1.00 0.00 C ATOM 1817 C ILE A 119 7.242 -9.358 5.196 1.00 0.00 C ATOM 1818 O ILE A 119 7.046 -10.562 5.038 1.00 0.00 O ATOM 1819 CB ILE A 119 7.661 -8.115 3.072 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.265 -6.889 2.246 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.731 -9.347 2.184 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.449 -6.089 1.758 1.00 0.00 C ATOM 0 H ILE A 119 6.949 -6.302 4.625 1.00 0.00 H new ATOM 0 HA ILE A 119 5.731 -8.715 3.816 1.00 0.00 H new ATOM 0 HB ILE A 119 8.647 -7.939 3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.676 -7.213 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.624 -6.245 2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.439 -9.172 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.059 -10.203 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.745 -9.551 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.097 -5.235 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.027 -5.736 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.079 -6.718 1.129 1.00 0.00 H new ATOM 1834 N SER A 120 7.947 -8.861 6.200 1.00 0.00 N ATOM 1835 CA SER A 120 8.555 -9.715 7.210 1.00 0.00 C ATOM 1836 C SER A 120 7.484 -10.406 8.050 1.00 0.00 C ATOM 1837 O SER A 120 7.584 -11.596 8.344 1.00 0.00 O ATOM 1838 CB SER A 120 9.475 -8.892 8.114 1.00 0.00 C ATOM 1839 OG SER A 120 10.307 -9.731 8.896 1.00 0.00 O ATOM 0 H SER A 120 8.113 -7.864 6.338 1.00 0.00 H new ATOM 0 HA SER A 120 9.144 -10.479 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.091 -8.230 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.876 -8.258 8.768 1.00 0.00 H new ATOM 0 HG SER A 120 10.886 -9.180 9.463 1.00 0.00 H new ATOM 1845 N HIS A 121 6.459 -9.649 8.432 1.00 0.00 N ATOM 1846 CA HIS A 121 5.369 -10.190 9.236 1.00 0.00 C ATOM 1847 C HIS A 121 4.541 -11.187 8.433 1.00 0.00 C ATOM 1848 O HIS A 121 3.926 -12.093 8.993 1.00 0.00 O ATOM 1849 CB HIS A 121 4.476 -9.061 9.754 1.00 0.00 C ATOM 1850 CG HIS A 121 4.952 -8.466 11.044 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.259 -8.084 11.260 1.00 0.00 N ATOM 1852 CD2 HIS A 121 4.286 -8.186 12.191 1.00 0.00 C ATOM 1853 CE1 HIS A 121 6.377 -7.595 12.482 1.00 0.00 C ATOM 1854 NE2 HIS A 121 5.195 -7.645 13.066 1.00 0.00 N ATOM 0 H HIS A 121 6.361 -8.661 8.198 1.00 0.00 H new ATOM 0 HA HIS A 121 5.806 -10.713 10.087 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.422 -8.276 8.999 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.464 -9.443 9.891 1.00 0.00 H new ATOM 0 HD2 HIS A 121 3.237 -8.357 12.381 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.286 -7.219 12.927 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.990 -7.332 14.015 1.00 0.00 H new ATOM 1863 N TYR A 122 4.534 -11.011 7.118 1.00 0.00 N ATOM 1864 CA TYR A 122 3.787 -11.894 6.233 1.00 0.00 C ATOM 1865 C TYR A 122 4.389 -13.296 6.243 1.00 0.00 C ATOM 1866 O TYR A 122 3.691 -14.282 6.484 1.00 0.00 O ATOM 1867 CB TYR A 122 3.780 -11.334 4.811 1.00 0.00 C ATOM 1868 CG TYR A 122 2.730 -11.955 3.917 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.390 -11.962 4.286 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.079 -12.531 2.702 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.429 -12.527 3.472 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.123 -13.099 1.881 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.800 -13.093 2.270 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.155 -13.656 1.455 1.00 0.00 O ATOM 0 H TYR A 122 5.038 -10.264 6.641 1.00 0.00 H new ATOM 0 HA TYR A 122 2.760 -11.955 6.593 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.616 -10.257 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.762 -11.489 4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.096 -11.518 5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.114 -12.535 2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.608 -12.526 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.411 -13.545 0.940 1.00 0.00 H new ATOM 0 HH TYR A 122 0.272 -14.009 0.647 1.00 0.00 H new ATOM 1884 N GLN A 123 5.691 -13.377 5.987 1.00 0.00 N ATOM 1885 CA GLN A 123 6.388 -14.652 5.975 1.00 0.00 C ATOM 1886 C GLN A 123 6.608 -15.152 7.401 1.00 0.00 C ATOM 1887 O GLN A 123 6.154 -14.529 8.361 1.00 0.00 O ATOM 1888 CB GLN A 123 7.729 -14.516 5.248 1.00 0.00 C ATOM 1889 CG GLN A 123 8.198 -15.803 4.587 1.00 0.00 C ATOM 1890 CD GLN A 123 8.478 -15.633 3.107 1.00 0.00 C ATOM 1891 OE1 GLN A 123 7.969 -14.711 2.470 1.00 0.00 O ATOM 1892 NE2 GLN A 123 9.289 -16.526 2.552 1.00 0.00 N ATOM 0 H GLN A 123 6.283 -12.571 5.785 1.00 0.00 H new ATOM 0 HA GLN A 123 5.774 -15.379 5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.644 -13.738 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.486 -14.186 5.959 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.102 -16.154 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.439 -16.574 4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 123 9.688 -17.274 3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.513 -16.464 1.559 1.00 0.00 H new ATOM 1901 N GLU A 124 7.304 -16.278 7.535 1.00 0.00 N ATOM 1902 CA GLU A 124 7.581 -16.855 8.846 1.00 0.00 C ATOM 1903 C GLU A 124 6.287 -17.257 9.546 1.00 0.00 C ATOM 1904 O GLU A 124 5.333 -17.701 8.906 1.00 0.00 O ATOM 1905 CB GLU A 124 8.357 -15.863 9.715 1.00 0.00 C ATOM 1906 CG GLU A 124 9.860 -15.899 9.487 1.00 0.00 C ATOM 1907 CD GLU A 124 10.318 -14.887 8.455 1.00 0.00 C ATOM 1908 OE1 GLU A 124 10.402 -13.688 8.796 1.00 0.00 O ATOM 1909 OE2 GLU A 124 10.590 -15.292 7.306 1.00 0.00 O ATOM 0 H GLU A 124 7.686 -16.808 6.752 1.00 0.00 H new ATOM 0 HA GLU A 124 8.189 -17.748 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.992 -14.855 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.152 -16.075 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.371 -15.707 10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 124 10.151 -16.899 9.164 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.293 11.204 -0.456 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -1.262 12.237 -0.735 1.00 0.00 F HETATM 1919 F2 BEF A 125 -2.537 11.132 1.007 1.00 0.00 F HETATM 1920 F3 BEF A 125 -3.557 11.558 -1.152 1.00 0.00 F