USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1057 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.16 (180deg=0.91) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 5 SER OG : rot -125:sc= 0.418 USER MOD Single : A 9 HIS : no HD1:sc= -1.16 K(o=-1.2,f=0.23) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 19 TYR OH : rot -128:sc= -1.18! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.26) USER MOD Single : A 32 GLN : amide:sc= -5.51! C(o=-5.5!,f=-3.5!) USER MOD Single : A 34 SER OG : rot 127:sc= -0.777! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.976 K(o=0.98,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -119:sc= 0.0627 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.091) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 82:sc= 0.92 USER MOD Single : A 85 GLN : amide:sc= -0.0932 K(o=-0.093,f=-0.72) USER MOD Single : A 94 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.29) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -143:sc= -0.247 (180deg=-1.98) USER MOD Single : A 101 GLN : amide:sc= 0.335 X(o=0.34,f=0) USER MOD Single : A 102 THR OG1 : rot -141:sc= 1.58 USER MOD Single : A 108 THR OG1 : rot -134:sc= 0.0378 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 110 ASN : amide:sc= -0.928 K(o=-0.93,f=-0.0085) USER MOD Single : A 112 MET CE :methyl 169:sc= 0 (180deg=-0.0517) USER MOD Single : A 130 HIS : no HE2:sc= 0.0268! C(o=0.027!,f=-5.7!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc=-0.00938 K(o=-0.0094,f=-2.6!) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.415 6.789 -26.254 1.00 0.00 N ATOM 2 CA MET A 1 -20.839 7.047 -26.558 1.00 0.00 C ATOM 3 C MET A 1 -21.141 8.528 -26.400 1.00 0.00 C ATOM 4 O MET A 1 -20.751 9.147 -25.411 1.00 0.00 O ATOM 5 CB MET A 1 -21.745 6.223 -25.639 1.00 0.00 C ATOM 6 CG MET A 1 -21.719 4.728 -25.924 1.00 0.00 C ATOM 7 SD MET A 1 -20.099 3.979 -25.653 1.00 0.00 S ATOM 8 CE MET A 1 -20.440 2.273 -26.087 1.00 0.00 C ATOM 0 H1 MET A 1 -19.290 5.789 -25.998 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.836 7.007 -27.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.115 7.390 -25.460 1.00 0.00 H new ATOM 0 HA MET A 1 -21.034 6.750 -27.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.445 6.391 -24.605 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.769 6.584 -25.737 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.452 4.231 -25.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.023 4.556 -26.957 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.533 1.680 -25.970 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.218 1.880 -25.432 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.777 2.221 -27.122 1.00 0.00 H new ATOM 20 N ALA A 2 -21.837 9.092 -27.376 1.00 0.00 N ATOM 21 CA ALA A 2 -22.065 10.527 -27.411 1.00 0.00 C ATOM 22 C ALA A 2 -23.519 10.884 -27.125 1.00 0.00 C ATOM 23 O ALA A 2 -24.407 10.636 -27.943 1.00 0.00 O ATOM 24 CB ALA A 2 -21.641 11.092 -28.757 1.00 0.00 C ATOM 0 H ALA A 2 -22.253 8.578 -28.153 1.00 0.00 H new ATOM 0 HA ALA A 2 -21.459 10.973 -26.623 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.816 12.168 -28.772 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.581 10.895 -28.917 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.221 10.619 -29.549 1.00 0.00 H new ATOM 30 N GLN A 3 -23.751 11.452 -25.953 1.00 0.00 N ATOM 31 CA GLN A 3 -25.052 12.006 -25.603 1.00 0.00 C ATOM 32 C GLN A 3 -24.897 13.498 -25.363 1.00 0.00 C ATOM 33 O GLN A 3 -23.774 13.986 -25.235 1.00 0.00 O ATOM 34 CB GLN A 3 -25.614 11.365 -24.331 1.00 0.00 C ATOM 35 CG GLN A 3 -25.812 9.861 -24.402 1.00 0.00 C ATOM 36 CD GLN A 3 -26.422 9.317 -23.125 1.00 0.00 C ATOM 37 OE1 GLN A 3 -26.226 9.875 -22.046 1.00 0.00 O ATOM 38 NE2 GLN A 3 -27.164 8.228 -23.229 1.00 0.00 N ATOM 0 H GLN A 3 -23.048 11.543 -25.220 1.00 0.00 H new ATOM 0 HA GLN A 3 -25.741 11.805 -26.424 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -24.942 11.589 -23.502 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -26.572 11.832 -24.100 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -26.457 9.618 -25.246 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -24.853 9.375 -24.583 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -27.305 7.792 -24.140 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -27.596 7.824 -22.398 1.00 0.00 H new ATOM 47 N ARG A 4 -26.005 14.220 -25.299 1.00 0.00 N ATOM 48 CA ARG A 4 -25.951 15.624 -24.925 1.00 0.00 C ATOM 49 C ARG A 4 -25.712 15.740 -23.425 1.00 0.00 C ATOM 50 O ARG A 4 -26.649 15.837 -22.632 1.00 0.00 O ATOM 51 CB ARG A 4 -27.229 16.362 -25.328 1.00 0.00 C ATOM 52 CG ARG A 4 -27.166 17.857 -25.063 1.00 0.00 C ATOM 53 CD ARG A 4 -28.323 18.596 -25.711 1.00 0.00 C ATOM 54 NE ARG A 4 -29.619 18.237 -25.134 1.00 0.00 N ATOM 55 CZ ARG A 4 -30.774 18.370 -25.784 1.00 0.00 C ATOM 56 NH1 ARG A 4 -30.774 18.699 -27.070 1.00 0.00 N ATOM 57 NH2 ARG A 4 -31.923 18.141 -25.160 1.00 0.00 N ATOM 0 H ARG A 4 -26.940 13.863 -25.498 1.00 0.00 H new ATOM 0 HA ARG A 4 -25.126 16.094 -25.460 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -27.418 16.195 -26.388 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -28.073 15.938 -24.783 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -27.178 18.036 -23.988 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -26.224 18.254 -25.442 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -28.168 19.670 -25.604 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -28.334 18.380 -26.779 1.00 0.00 H new ATOM 0 HE ARG A 4 -29.639 17.865 -24.184 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -29.891 18.849 -27.558 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -31.657 18.801 -27.570 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -31.924 17.862 -24.179 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -32.805 18.244 -25.662 1.00 0.00 H new ATOM 71 N SER A 5 -24.450 15.680 -23.045 1.00 0.00 N ATOM 72 CA SER A 5 -24.066 15.725 -21.649 1.00 0.00 C ATOM 73 C SER A 5 -22.743 16.455 -21.503 1.00 0.00 C ATOM 74 O SER A 5 -21.873 16.362 -22.371 1.00 0.00 O ATOM 75 CB SER A 5 -23.953 14.302 -21.088 1.00 0.00 C ATOM 76 OG SER A 5 -23.576 14.313 -19.720 1.00 0.00 O ATOM 0 H SER A 5 -23.666 15.599 -23.693 1.00 0.00 H new ATOM 0 HA SER A 5 -24.829 16.262 -21.086 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.908 13.788 -21.200 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.219 13.739 -21.665 1.00 0.00 H new ATOM 0 HG SER A 5 -22.776 13.760 -19.597 1.00 0.00 H new ATOM 82 N GLU A 6 -22.595 17.183 -20.410 1.00 0.00 N ATOM 83 CA GLU A 6 -21.364 17.903 -20.139 1.00 0.00 C ATOM 84 C GLU A 6 -20.403 17.017 -19.359 1.00 0.00 C ATOM 85 O GLU A 6 -19.252 17.383 -19.116 1.00 0.00 O ATOM 86 CB GLU A 6 -21.666 19.186 -19.371 1.00 0.00 C ATOM 87 CG GLU A 6 -22.539 20.151 -20.154 1.00 0.00 C ATOM 88 CD GLU A 6 -22.866 21.412 -19.386 1.00 0.00 C ATOM 89 OE1 GLU A 6 -22.106 21.772 -18.466 1.00 0.00 O ATOM 90 OE2 GLU A 6 -23.889 22.054 -19.705 1.00 0.00 O ATOM 0 H GLU A 6 -23.314 17.291 -19.695 1.00 0.00 H new ATOM 0 HA GLU A 6 -20.892 18.173 -21.084 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.162 18.934 -18.433 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.728 19.679 -19.114 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -22.033 20.419 -21.082 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.467 19.650 -20.430 1.00 0.00 H new ATOM 97 N ILE A 7 -20.890 15.848 -18.968 1.00 0.00 N ATOM 98 CA ILE A 7 -20.069 14.860 -18.287 1.00 0.00 C ATOM 99 C ILE A 7 -20.199 13.509 -18.994 1.00 0.00 C ATOM 100 O ILE A 7 -21.137 12.755 -18.745 1.00 0.00 O ATOM 101 CB ILE A 7 -20.469 14.702 -16.800 1.00 0.00 C ATOM 102 CG1 ILE A 7 -20.520 16.066 -16.104 1.00 0.00 C ATOM 103 CG2 ILE A 7 -19.486 13.787 -16.085 1.00 0.00 C ATOM 104 CD1 ILE A 7 -20.955 15.995 -14.655 1.00 0.00 C ATOM 0 H ILE A 7 -21.858 15.560 -19.113 1.00 0.00 H new ATOM 0 HA ILE A 7 -19.036 15.207 -18.321 1.00 0.00 H new ATOM 0 HB ILE A 7 -21.463 14.256 -16.758 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -19.534 16.527 -16.156 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -21.205 16.716 -16.648 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.779 13.684 -15.040 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -19.489 12.806 -16.561 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -18.485 14.214 -16.141 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -20.967 16.998 -14.229 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -21.954 15.564 -14.596 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -20.257 15.372 -14.096 1.00 0.00 H new ATOM 116 N PRO A 8 -19.277 13.209 -19.922 1.00 0.00 N ATOM 117 CA PRO A 8 -19.286 11.962 -20.685 1.00 0.00 C ATOM 118 C PRO A 8 -18.449 10.866 -20.028 1.00 0.00 C ATOM 119 O PRO A 8 -17.904 9.992 -20.702 1.00 0.00 O ATOM 120 CB PRO A 8 -18.657 12.400 -22.003 1.00 0.00 C ATOM 121 CG PRO A 8 -17.669 13.455 -21.622 1.00 0.00 C ATOM 122 CD PRO A 8 -18.160 14.078 -20.334 1.00 0.00 C ATOM 0 HA PRO A 8 -20.281 11.527 -20.775 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.170 11.565 -22.506 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.408 12.791 -22.689 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.677 13.024 -21.488 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.586 14.207 -22.407 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.375 14.104 -19.578 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.489 15.106 -20.488 1.00 0.00 H new ATOM 130 N HIS A 9 -18.366 10.914 -18.707 1.00 0.00 N ATOM 131 CA HIS A 9 -17.538 9.988 -17.944 1.00 0.00 C ATOM 132 C HIS A 9 -17.880 10.088 -16.464 1.00 0.00 C ATOM 133 O HIS A 9 -18.850 10.745 -16.100 1.00 0.00 O ATOM 134 CB HIS A 9 -16.038 10.277 -18.171 1.00 0.00 C ATOM 135 CG HIS A 9 -15.640 11.723 -18.018 1.00 0.00 C ATOM 136 ND1 HIS A 9 -14.775 12.362 -18.881 1.00 0.00 N ATOM 137 CD2 HIS A 9 -15.987 12.650 -17.093 1.00 0.00 C ATOM 138 CE1 HIS A 9 -14.609 13.613 -18.492 1.00 0.00 C ATOM 139 NE2 HIS A 9 -15.335 13.812 -17.411 1.00 0.00 N ATOM 0 H HIS A 9 -18.868 11.593 -18.134 1.00 0.00 H new ATOM 0 HA HIS A 9 -17.742 8.974 -18.289 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -15.457 9.679 -17.468 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -15.766 9.945 -19.173 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.655 12.500 -16.258 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.984 14.348 -18.978 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.401 14.689 -16.895 1.00 0.00 H new ATOM 148 N PHE A 10 -17.091 9.430 -15.620 1.00 0.00 N ATOM 149 CA PHE A 10 -17.248 9.553 -14.173 1.00 0.00 C ATOM 150 C PHE A 10 -17.083 11.015 -13.760 1.00 0.00 C ATOM 151 O PHE A 10 -16.269 11.731 -14.344 1.00 0.00 O ATOM 152 CB PHE A 10 -16.223 8.676 -13.445 1.00 0.00 C ATOM 153 CG PHE A 10 -16.459 7.200 -13.610 1.00 0.00 C ATOM 154 CD1 PHE A 10 -16.021 6.533 -14.744 1.00 0.00 C ATOM 155 CD2 PHE A 10 -17.119 6.479 -12.628 1.00 0.00 C ATOM 156 CE1 PHE A 10 -16.237 5.177 -14.893 1.00 0.00 C ATOM 157 CE2 PHE A 10 -17.337 5.122 -12.773 1.00 0.00 C ATOM 158 CZ PHE A 10 -16.895 4.471 -13.907 1.00 0.00 C ATOM 0 H PHE A 10 -16.338 8.807 -15.911 1.00 0.00 H new ATOM 0 HA PHE A 10 -18.246 9.214 -13.896 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.226 8.918 -13.813 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -16.239 8.920 -12.383 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -15.505 7.080 -15.519 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -17.467 6.983 -11.739 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -15.891 4.669 -15.781 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -17.853 4.572 -12.000 1.00 0.00 H new ATOM 0 HZ PHE A 10 -17.064 3.411 -14.022 1.00 0.00 H new ATOM 168 N PRO A 11 -17.838 11.471 -12.745 1.00 0.00 N ATOM 169 CA PRO A 11 -17.884 12.892 -12.340 1.00 0.00 C ATOM 170 C PRO A 11 -16.596 13.397 -11.679 1.00 0.00 C ATOM 171 O PRO A 11 -16.643 14.263 -10.803 1.00 0.00 O ATOM 172 CB PRO A 11 -19.039 12.928 -11.338 1.00 0.00 C ATOM 173 CG PRO A 11 -19.103 11.550 -10.782 1.00 0.00 C ATOM 174 CD PRO A 11 -18.725 10.636 -11.911 1.00 0.00 C ATOM 0 HA PRO A 11 -18.008 13.541 -13.207 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -18.859 13.663 -10.553 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -19.975 13.203 -11.824 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.420 11.436 -9.941 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.103 11.323 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -18.214 9.743 -11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -19.601 10.301 -12.467 1.00 0.00 H new ATOM 182 N ARG A 12 -15.453 12.869 -12.122 1.00 0.00 N ATOM 183 CA ARG A 12 -14.137 13.290 -11.640 1.00 0.00 C ATOM 184 C ARG A 12 -14.064 13.193 -10.119 1.00 0.00 C ATOM 185 O ARG A 12 -13.495 14.054 -9.448 1.00 0.00 O ATOM 186 CB ARG A 12 -13.838 14.719 -12.113 1.00 0.00 C ATOM 187 CG ARG A 12 -14.028 14.902 -13.613 1.00 0.00 C ATOM 188 CD ARG A 12 -13.699 16.315 -14.063 1.00 0.00 C ATOM 189 NE ARG A 12 -12.260 16.571 -14.083 1.00 0.00 N ATOM 190 CZ ARG A 12 -11.723 17.773 -14.289 1.00 0.00 C ATOM 191 NH1 ARG A 12 -12.503 18.829 -14.487 1.00 0.00 N ATOM 192 NH2 ARG A 12 -10.407 17.911 -14.317 1.00 0.00 N ATOM 0 H ARG A 12 -15.415 12.134 -12.828 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.381 12.622 -12.054 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.488 15.415 -11.583 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.812 14.976 -11.848 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.393 14.195 -14.147 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.059 14.668 -13.878 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.109 16.481 -15.059 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.183 17.028 -13.396 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.630 15.783 -13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.517 18.722 -14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.088 19.747 -14.644 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.806 17.098 -14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.994 18.830 -14.475 1.00 0.00 H new ATOM 206 N THR A 13 -14.643 12.126 -9.590 1.00 0.00 N ATOM 207 CA THR A 13 -14.689 11.917 -8.158 1.00 0.00 C ATOM 208 C THR A 13 -13.468 11.131 -7.691 1.00 0.00 C ATOM 209 O THR A 13 -12.974 10.248 -8.395 1.00 0.00 O ATOM 210 CB THR A 13 -15.984 11.178 -7.739 1.00 0.00 C ATOM 211 OG1 THR A 13 -16.051 11.048 -6.311 1.00 0.00 O ATOM 212 CG2 THR A 13 -16.067 9.799 -8.381 1.00 0.00 C ATOM 0 H THR A 13 -15.089 11.390 -10.138 1.00 0.00 H new ATOM 0 HA THR A 13 -14.684 12.897 -7.681 1.00 0.00 H new ATOM 0 HB THR A 13 -16.828 11.774 -8.087 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.876 10.580 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.987 9.306 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.063 9.902 -9.466 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.211 9.201 -8.070 1.00 0.00 H new ATOM 220 N ALA A 14 -12.978 11.483 -6.517 1.00 0.00 N ATOM 221 CA ALA A 14 -11.865 10.781 -5.904 1.00 0.00 C ATOM 222 C ALA A 14 -12.282 10.259 -4.539 1.00 0.00 C ATOM 223 O ALA A 14 -11.477 9.705 -3.790 1.00 0.00 O ATOM 224 CB ALA A 14 -10.663 11.704 -5.783 1.00 0.00 C ATOM 0 H ALA A 14 -13.338 12.260 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.582 9.936 -6.532 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.835 11.165 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.366 12.046 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.925 12.564 -5.166 1.00 0.00 H new ATOM 230 N ALA A 15 -13.557 10.439 -4.230 1.00 0.00 N ATOM 231 CA ALA A 15 -14.099 10.035 -2.948 1.00 0.00 C ATOM 232 C ALA A 15 -14.735 8.657 -3.036 1.00 0.00 C ATOM 233 O ALA A 15 -15.795 8.485 -3.639 1.00 0.00 O ATOM 234 CB ALA A 15 -15.115 11.056 -2.461 1.00 0.00 C ATOM 0 H ALA A 15 -14.238 10.866 -4.858 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.279 9.985 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.514 10.741 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.632 12.027 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.928 11.133 -3.183 1.00 0.00 H new ATOM 240 N ILE A 16 -14.066 7.672 -2.459 1.00 0.00 N ATOM 241 CA ILE A 16 -14.629 6.338 -2.344 1.00 0.00 C ATOM 242 C ILE A 16 -15.652 6.333 -1.218 1.00 0.00 C ATOM 243 O ILE A 16 -15.295 6.435 -0.044 1.00 0.00 O ATOM 244 CB ILE A 16 -13.538 5.279 -2.071 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.481 5.318 -3.181 1.00 0.00 C ATOM 246 CG2 ILE A 16 -14.157 3.889 -1.964 1.00 0.00 C ATOM 247 CD1 ILE A 16 -11.316 4.380 -2.953 1.00 0.00 C ATOM 0 H ILE A 16 -13.131 7.772 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.105 6.079 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.055 5.508 -1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.956 5.068 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.102 6.336 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.374 3.156 -1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.877 3.874 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.663 3.643 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.612 4.466 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.814 4.643 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.681 3.355 -2.892 1.00 0.00 H new ATOM 259 N ASP A 17 -16.922 6.254 -1.588 1.00 0.00 N ATOM 260 CA ASP A 17 -18.014 6.397 -0.630 1.00 0.00 C ATOM 261 C ASP A 17 -17.997 5.277 0.397 1.00 0.00 C ATOM 262 O ASP A 17 -17.848 5.523 1.598 1.00 0.00 O ATOM 263 CB ASP A 17 -19.357 6.415 -1.357 1.00 0.00 C ATOM 264 CG ASP A 17 -20.490 6.875 -0.466 1.00 0.00 C ATOM 265 OD1 ASP A 17 -20.615 8.099 -0.256 1.00 0.00 O ATOM 266 OD2 ASP A 17 -21.263 6.027 0.022 1.00 0.00 O ATOM 0 H ASP A 17 -17.225 6.091 -2.548 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.876 7.343 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.289 7.074 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.577 5.416 -1.733 1.00 0.00 H new ATOM 271 N ALA A 18 -18.131 4.050 -0.077 1.00 0.00 N ATOM 272 CA ALA A 18 -18.164 2.896 0.799 1.00 0.00 C ATOM 273 C ALA A 18 -17.503 1.697 0.142 1.00 0.00 C ATOM 274 O ALA A 18 -17.363 1.640 -1.082 1.00 0.00 O ATOM 275 CB ALA A 18 -19.600 2.561 1.176 1.00 0.00 C ATOM 0 H ALA A 18 -18.219 3.829 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 18 -17.608 3.141 1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -19.610 1.692 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -20.049 3.411 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -20.171 2.340 0.274 1.00 0.00 H new ATOM 281 N TYR A 19 -17.091 0.746 0.959 1.00 0.00 N ATOM 282 CA TYR A 19 -16.539 -0.498 0.460 1.00 0.00 C ATOM 283 C TYR A 19 -17.470 -1.641 0.834 1.00 0.00 C ATOM 284 O TYR A 19 -17.671 -1.927 2.015 1.00 0.00 O ATOM 285 CB TYR A 19 -15.137 -0.736 1.028 1.00 0.00 C ATOM 286 CG TYR A 19 -14.450 -1.951 0.447 1.00 0.00 C ATOM 287 CD1 TYR A 19 -13.868 -1.902 -0.813 1.00 0.00 C ATOM 288 CD2 TYR A 19 -14.386 -3.144 1.155 1.00 0.00 C ATOM 289 CE1 TYR A 19 -13.241 -3.008 -1.351 1.00 0.00 C ATOM 290 CE2 TYR A 19 -13.759 -4.254 0.624 1.00 0.00 C ATOM 291 CZ TYR A 19 -13.190 -4.181 -0.629 1.00 0.00 C ATOM 292 OH TYR A 19 -12.569 -5.284 -1.163 1.00 0.00 O ATOM 0 H TYR A 19 -17.129 0.813 1.976 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.452 -0.443 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.523 0.144 0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.206 -0.850 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.907 -0.984 -1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.833 -3.205 2.136 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -12.793 -2.954 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -13.715 -5.174 1.188 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.174 -6.054 -1.117 1.00 0.00 H new ATOM 302 N GLY A 20 -18.051 -2.278 -0.169 1.00 0.00 N ATOM 303 CA GLY A 20 -19.019 -3.320 0.087 1.00 0.00 C ATOM 304 C GLY A 20 -18.555 -4.672 -0.402 1.00 0.00 C ATOM 305 O GLY A 20 -17.401 -4.839 -0.803 1.00 0.00 O ATOM 0 H GLY A 20 -17.869 -2.092 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -19.217 -3.373 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -19.960 -3.065 -0.399 1.00 0.00 H new ATOM 309 N LYS A 21 -19.457 -5.637 -0.376 1.00 0.00 N ATOM 310 CA LYS A 21 -19.145 -6.984 -0.809 1.00 0.00 C ATOM 311 C LYS A 21 -19.419 -7.124 -2.298 1.00 0.00 C ATOM 312 O LYS A 21 -20.546 -6.933 -2.755 1.00 0.00 O ATOM 313 CB LYS A 21 -19.962 -7.999 -0.006 1.00 0.00 C ATOM 314 CG LYS A 21 -19.742 -9.441 -0.429 1.00 0.00 C ATOM 315 CD LYS A 21 -20.337 -10.411 0.577 1.00 0.00 C ATOM 316 CE LYS A 21 -20.217 -11.849 0.104 1.00 0.00 C ATOM 317 NZ LYS A 21 -21.219 -12.177 -0.943 1.00 0.00 N ATOM 0 H LYS A 21 -20.417 -5.509 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.088 -7.182 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.711 -7.898 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.021 -7.759 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.193 -9.607 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -18.674 -9.632 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.830 -10.299 1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -21.387 -10.168 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.214 -12.019 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.346 -12.521 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.102 -13.168 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.177 -12.040 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.080 -11.553 -1.764 1.00 0.00 H new ATOM 331 N GLY A 22 -18.379 -7.452 -3.051 1.00 0.00 N ATOM 332 CA GLY A 22 -18.509 -7.549 -4.490 1.00 0.00 C ATOM 333 C GLY A 22 -17.766 -6.447 -5.220 1.00 0.00 C ATOM 334 O GLY A 22 -17.564 -6.529 -6.431 1.00 0.00 O ATOM 0 H GLY A 22 -17.446 -7.653 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.132 -8.517 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -19.565 -7.510 -4.759 1.00 0.00 H new ATOM 338 N GLY A 23 -17.366 -5.409 -4.492 1.00 0.00 N ATOM 339 CA GLY A 23 -16.604 -4.333 -5.098 1.00 0.00 C ATOM 340 C GLY A 23 -16.800 -3.005 -4.393 1.00 0.00 C ATOM 341 O GLY A 23 -17.420 -2.943 -3.329 1.00 0.00 O ATOM 0 H GLY A 23 -17.555 -5.294 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.545 -4.592 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.896 -4.231 -6.143 1.00 0.00 H new ATOM 345 N PHE A 24 -16.269 -1.942 -4.989 1.00 0.00 N ATOM 346 CA PHE A 24 -16.375 -0.603 -4.422 1.00 0.00 C ATOM 347 C PHE A 24 -17.772 -0.030 -4.644 1.00 0.00 C ATOM 348 O PHE A 24 -18.493 -0.455 -5.554 1.00 0.00 O ATOM 349 CB PHE A 24 -15.325 0.327 -5.040 1.00 0.00 C ATOM 350 CG PHE A 24 -13.906 -0.038 -4.700 1.00 0.00 C ATOM 351 CD1 PHE A 24 -13.302 0.472 -3.563 1.00 0.00 C ATOM 352 CD2 PHE A 24 -13.176 -0.886 -5.517 1.00 0.00 C ATOM 353 CE1 PHE A 24 -11.996 0.143 -3.247 1.00 0.00 C ATOM 354 CE2 PHE A 24 -11.872 -1.220 -5.207 1.00 0.00 C ATOM 355 CZ PHE A 24 -11.282 -0.704 -4.071 1.00 0.00 C ATOM 0 H PHE A 24 -15.758 -1.984 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 24 -16.195 -0.676 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.441 0.319 -6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.517 1.347 -4.706 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -13.857 1.134 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -13.632 -1.291 -6.408 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.536 0.548 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -11.315 -1.884 -5.852 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.262 -0.963 -3.827 1.00 0.00 H new ATOM 365 N TYR A 25 -18.146 0.935 -3.811 1.00 0.00 N ATOM 366 CA TYR A 25 -19.458 1.555 -3.892 1.00 0.00 C ATOM 367 C TYR A 25 -19.359 3.067 -3.721 1.00 0.00 C ATOM 368 O TYR A 25 -18.688 3.559 -2.813 1.00 0.00 O ATOM 369 CB TYR A 25 -20.382 0.963 -2.819 1.00 0.00 C ATOM 370 CG TYR A 25 -21.740 1.628 -2.734 1.00 0.00 C ATOM 371 CD1 TYR A 25 -22.745 1.322 -3.641 1.00 0.00 C ATOM 372 CD2 TYR A 25 -22.017 2.560 -1.740 1.00 0.00 C ATOM 373 CE1 TYR A 25 -23.985 1.924 -3.564 1.00 0.00 C ATOM 374 CE2 TYR A 25 -23.255 3.166 -1.656 1.00 0.00 C ATOM 375 CZ TYR A 25 -24.235 2.845 -2.570 1.00 0.00 C ATOM 376 OH TYR A 25 -25.474 3.439 -2.485 1.00 0.00 O ATOM 0 H TYR A 25 -17.553 1.305 -3.068 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.874 1.351 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.522 -0.099 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.891 1.041 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -22.554 0.600 -4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.251 2.814 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -24.755 1.674 -4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -23.454 3.888 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 25 -25.487 4.063 -1.729 1.00 0.00 H new ATOM 386 N PHE A 26 -20.007 3.794 -4.615 1.00 0.00 N ATOM 387 CA PHE A 26 -20.149 5.234 -4.488 1.00 0.00 C ATOM 388 C PHE A 26 -21.530 5.645 -4.971 1.00 0.00 C ATOM 389 O PHE A 26 -22.304 4.793 -5.412 1.00 0.00 O ATOM 390 CB PHE A 26 -19.045 5.978 -5.256 1.00 0.00 C ATOM 391 CG PHE A 26 -18.929 5.608 -6.711 1.00 0.00 C ATOM 392 CD1 PHE A 26 -19.690 6.257 -7.670 1.00 0.00 C ATOM 393 CD2 PHE A 26 -18.046 4.621 -7.118 1.00 0.00 C ATOM 394 CE1 PHE A 26 -19.574 5.927 -9.006 1.00 0.00 C ATOM 395 CE2 PHE A 26 -17.925 4.289 -8.453 1.00 0.00 C ATOM 396 CZ PHE A 26 -18.691 4.941 -9.398 1.00 0.00 C ATOM 0 H PHE A 26 -20.449 3.404 -5.448 1.00 0.00 H new ATOM 0 HA PHE A 26 -20.042 5.509 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.229 7.050 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.089 5.784 -4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.382 7.030 -7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -17.446 4.106 -6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.174 6.440 -9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.231 3.519 -8.757 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.600 4.680 -10.442 1.00 0.00 H new ATOM 406 N ALA A 27 -21.848 6.929 -4.870 1.00 0.00 N ATOM 407 CA ALA A 27 -23.142 7.431 -5.317 1.00 0.00 C ATOM 408 C ALA A 27 -23.344 7.184 -6.811 1.00 0.00 C ATOM 409 O ALA A 27 -22.761 7.872 -7.652 1.00 0.00 O ATOM 410 CB ALA A 27 -23.270 8.915 -5.004 1.00 0.00 C ATOM 0 H ALA A 27 -21.229 7.641 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 27 -23.919 6.888 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -24.241 9.276 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -23.181 9.069 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -22.480 9.464 -5.516 1.00 0.00 H new ATOM 416 N GLY A 28 -24.157 6.188 -7.131 1.00 0.00 N ATOM 417 CA GLY A 28 -24.436 5.869 -8.513 1.00 0.00 C ATOM 418 C GLY A 28 -24.051 4.447 -8.862 1.00 0.00 C ATOM 419 O GLY A 28 -24.778 3.504 -8.550 1.00 0.00 O ATOM 0 H GLY A 28 -24.631 5.592 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -25.498 6.015 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.894 6.559 -9.160 1.00 0.00 H new ATOM 423 N MET A 29 -22.894 4.292 -9.485 1.00 0.00 N ATOM 424 CA MET A 29 -22.445 2.987 -9.953 1.00 0.00 C ATOM 425 C MET A 29 -21.645 2.274 -8.863 1.00 0.00 C ATOM 426 O MET A 29 -21.044 2.918 -8.000 1.00 0.00 O ATOM 427 CB MET A 29 -21.607 3.152 -11.226 1.00 0.00 C ATOM 428 CG MET A 29 -21.290 1.845 -11.935 1.00 0.00 C ATOM 429 SD MET A 29 -20.377 2.093 -13.470 1.00 0.00 S ATOM 430 CE MET A 29 -20.146 0.399 -13.999 1.00 0.00 C ATOM 0 H MET A 29 -22.246 5.055 -9.680 1.00 0.00 H new ATOM 0 HA MET A 29 -23.316 2.374 -10.186 1.00 0.00 H new ATOM 0 HB2 MET A 29 -22.139 3.807 -11.916 1.00 0.00 H new ATOM 0 HB3 MET A 29 -20.672 3.650 -10.970 1.00 0.00 H new ATOM 0 HG2 MET A 29 -20.709 1.207 -11.270 1.00 0.00 H new ATOM 0 HG3 MET A 29 -22.219 1.318 -12.150 1.00 0.00 H new ATOM 0 HE1 MET A 29 -19.595 0.383 -14.939 1.00 0.00 H new ATOM 0 HE2 MET A 29 -19.585 -0.146 -13.240 1.00 0.00 H new ATOM 0 HE3 MET A 29 -21.118 -0.074 -14.140 1.00 0.00 H new ATOM 440 N SER A 30 -21.656 0.949 -8.891 1.00 0.00 N ATOM 441 CA SER A 30 -20.981 0.158 -7.874 1.00 0.00 C ATOM 442 C SER A 30 -20.683 -1.253 -8.381 1.00 0.00 C ATOM 443 O SER A 30 -20.861 -1.537 -9.568 1.00 0.00 O ATOM 444 CB SER A 30 -21.845 0.109 -6.614 1.00 0.00 C ATOM 445 OG SER A 30 -23.211 -0.092 -6.943 1.00 0.00 O ATOM 0 H SER A 30 -22.127 0.399 -9.609 1.00 0.00 H new ATOM 0 HA SER A 30 -20.027 0.628 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.501 -0.696 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.734 1.039 -6.056 1.00 0.00 H new ATOM 0 HG SER A 30 -23.744 -0.122 -6.121 1.00 0.00 H new ATOM 451 N HIS A 31 -20.217 -2.122 -7.472 1.00 0.00 N ATOM 452 CA HIS A 31 -19.858 -3.508 -7.798 1.00 0.00 C ATOM 453 C HIS A 31 -18.602 -3.524 -8.671 1.00 0.00 C ATOM 454 O HIS A 31 -18.331 -4.469 -9.410 1.00 0.00 O ATOM 455 CB HIS A 31 -21.033 -4.236 -8.480 1.00 0.00 C ATOM 456 CG HIS A 31 -20.835 -5.717 -8.649 1.00 0.00 C ATOM 457 ND1 HIS A 31 -21.012 -6.624 -7.626 1.00 0.00 N ATOM 458 CD2 HIS A 31 -20.474 -6.447 -9.733 1.00 0.00 C ATOM 459 CE1 HIS A 31 -20.764 -7.842 -8.072 1.00 0.00 C ATOM 460 NE2 HIS A 31 -20.437 -7.763 -9.347 1.00 0.00 N ATOM 0 H HIS A 31 -20.079 -1.883 -6.490 1.00 0.00 H new ATOM 0 HA HIS A 31 -19.641 -4.046 -6.875 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -21.937 -4.067 -7.895 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -21.200 -3.790 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.256 -6.063 -10.719 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -20.820 -8.750 -7.490 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -20.196 -8.551 -9.948 1.00 0.00 H new ATOM 469 N GLN A 32 -17.820 -2.470 -8.545 1.00 0.00 N ATOM 470 CA GLN A 32 -16.589 -2.334 -9.299 1.00 0.00 C ATOM 471 C GLN A 32 -15.426 -2.863 -8.469 1.00 0.00 C ATOM 472 O GLN A 32 -15.025 -2.240 -7.487 1.00 0.00 O ATOM 473 CB GLN A 32 -16.378 -0.866 -9.668 1.00 0.00 C ATOM 474 CG GLN A 32 -17.561 -0.273 -10.421 1.00 0.00 C ATOM 475 CD GLN A 32 -17.504 1.237 -10.540 1.00 0.00 C ATOM 476 OE1 GLN A 32 -18.534 1.900 -10.570 1.00 0.00 O ATOM 477 NE2 GLN A 32 -16.308 1.792 -10.617 1.00 0.00 N ATOM 0 H GLN A 32 -18.018 -1.688 -7.921 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.648 -2.915 -10.219 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.205 -0.289 -8.760 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.481 -0.775 -10.280 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.601 -0.707 -11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.483 -0.555 -9.914 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.472 1.208 -10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.220 2.804 -10.705 1.00 0.00 H new ATOM 486 N GLY A 33 -14.918 -4.030 -8.842 1.00 0.00 N ATOM 487 CA GLY A 33 -13.886 -4.679 -8.056 1.00 0.00 C ATOM 488 C GLY A 33 -12.493 -4.179 -8.372 1.00 0.00 C ATOM 489 O GLY A 33 -11.690 -3.955 -7.470 1.00 0.00 O ATOM 0 H GLY A 33 -15.203 -4.541 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.091 -4.520 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.927 -5.754 -8.231 1.00 0.00 H new ATOM 493 N SER A 34 -12.203 -4.003 -9.648 1.00 0.00 N ATOM 494 CA SER A 34 -10.884 -3.563 -10.069 1.00 0.00 C ATOM 495 C SER A 34 -10.975 -2.181 -10.699 1.00 0.00 C ATOM 496 O SER A 34 -11.621 -2.002 -11.737 1.00 0.00 O ATOM 497 CB SER A 34 -10.289 -4.564 -11.060 1.00 0.00 C ATOM 498 OG SER A 34 -8.946 -4.243 -11.374 1.00 0.00 O ATOM 0 H SER A 34 -12.862 -4.158 -10.411 1.00 0.00 H new ATOM 0 HA SER A 34 -10.231 -3.507 -9.198 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.336 -5.568 -10.638 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.885 -4.574 -11.972 1.00 0.00 H new ATOM 0 HG SER A 34 -8.379 -5.029 -11.227 1.00 0.00 H new ATOM 504 N LEU A 35 -10.345 -1.203 -10.069 1.00 0.00 N ATOM 505 CA LEU A 35 -10.422 0.168 -10.537 1.00 0.00 C ATOM 506 C LEU A 35 -9.052 0.819 -10.595 1.00 0.00 C ATOM 507 O LEU A 35 -8.233 0.665 -9.688 1.00 0.00 O ATOM 508 CB LEU A 35 -11.339 0.990 -9.634 1.00 0.00 C ATOM 509 CG LEU A 35 -12.815 0.607 -9.688 1.00 0.00 C ATOM 510 CD1 LEU A 35 -13.619 1.458 -8.719 1.00 0.00 C ATOM 511 CD2 LEU A 35 -13.345 0.760 -11.106 1.00 0.00 C ATOM 0 H LEU A 35 -9.775 -1.334 -9.233 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.832 0.143 -11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.992 0.893 -8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.242 2.041 -9.905 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.918 -0.437 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.670 1.173 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.249 1.303 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.515 2.510 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.399 0.484 -11.132 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.233 1.796 -11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.783 0.110 -11.777 1.00 0.00 H new ATOM 523 N LEU A 36 -8.817 1.547 -11.668 1.00 0.00 N ATOM 524 CA LEU A 36 -7.611 2.332 -11.812 1.00 0.00 C ATOM 525 C LEU A 36 -7.956 3.801 -11.630 1.00 0.00 C ATOM 526 O LEU A 36 -8.499 4.446 -12.532 1.00 0.00 O ATOM 527 CB LEU A 36 -6.966 2.097 -13.179 1.00 0.00 C ATOM 528 CG LEU A 36 -5.654 2.850 -13.417 1.00 0.00 C ATOM 529 CD1 LEU A 36 -4.603 2.437 -12.399 1.00 0.00 C ATOM 530 CD2 LEU A 36 -5.152 2.608 -14.830 1.00 0.00 C ATOM 0 H LEU A 36 -9.455 1.610 -12.461 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.891 2.028 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.781 1.029 -13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.677 2.385 -13.953 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.845 3.916 -13.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.679 2.984 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.961 2.663 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.414 1.367 -12.485 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.219 3.150 -14.982 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.980 1.542 -14.978 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.896 2.958 -15.545 1.00 0.00 H new ATOM 542 N PHE A 37 -7.677 4.311 -10.448 1.00 0.00 N ATOM 543 CA PHE A 37 -7.990 5.688 -10.118 1.00 0.00 C ATOM 544 C PHE A 37 -6.903 6.617 -10.625 1.00 0.00 C ATOM 545 O PHE A 37 -5.820 6.693 -10.044 1.00 0.00 O ATOM 546 CB PHE A 37 -8.150 5.860 -8.606 1.00 0.00 C ATOM 547 CG PHE A 37 -9.370 5.194 -8.035 1.00 0.00 C ATOM 548 CD1 PHE A 37 -9.328 3.873 -7.618 1.00 0.00 C ATOM 549 CD2 PHE A 37 -10.560 5.894 -7.910 1.00 0.00 C ATOM 550 CE1 PHE A 37 -10.450 3.265 -7.089 1.00 0.00 C ATOM 551 CE2 PHE A 37 -11.683 5.291 -7.381 1.00 0.00 C ATOM 552 CZ PHE A 37 -11.628 3.974 -6.969 1.00 0.00 C ATOM 0 H PHE A 37 -7.231 3.789 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.932 5.944 -10.603 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.266 5.459 -8.111 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.190 6.925 -8.375 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.409 3.313 -7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.609 6.924 -8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.405 2.234 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.604 5.848 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.505 3.500 -6.554 1.00 0.00 H new ATOM 562 N LEU A 38 -7.178 7.290 -11.726 1.00 0.00 N ATOM 563 CA LEU A 38 -6.271 8.301 -12.234 1.00 0.00 C ATOM 564 C LEU A 38 -6.630 9.643 -11.612 1.00 0.00 C ATOM 565 O LEU A 38 -7.788 9.870 -11.258 1.00 0.00 O ATOM 566 CB LEU A 38 -6.339 8.375 -13.765 1.00 0.00 C ATOM 567 CG LEU A 38 -5.880 7.114 -14.504 1.00 0.00 C ATOM 568 CD1 LEU A 38 -5.953 7.322 -16.007 1.00 0.00 C ATOM 569 CD2 LEU A 38 -4.465 6.735 -14.088 1.00 0.00 C ATOM 0 H LEU A 38 -8.021 7.155 -12.285 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.248 8.038 -11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.367 8.593 -14.056 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.729 9.214 -14.099 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.549 6.296 -14.235 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.623 6.416 -16.516 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.980 7.546 -16.294 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.308 8.153 -16.291 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.157 5.837 -14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.784 7.552 -14.327 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.440 6.544 -13.015 1.00 0.00 H new ATOM 581 N PRO A 39 -5.647 10.547 -11.472 1.00 0.00 N ATOM 582 CA PRO A 39 -5.832 11.848 -10.809 1.00 0.00 C ATOM 583 C PRO A 39 -6.705 12.823 -11.609 1.00 0.00 C ATOM 584 O PRO A 39 -6.444 14.027 -11.628 1.00 0.00 O ATOM 585 CB PRO A 39 -4.401 12.401 -10.693 1.00 0.00 C ATOM 586 CG PRO A 39 -3.498 11.257 -11.002 1.00 0.00 C ATOM 587 CD PRO A 39 -4.265 10.370 -11.930 1.00 0.00 C ATOM 0 HA PRO A 39 -6.349 11.730 -9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.242 13.224 -11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.212 12.789 -9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.574 11.603 -11.466 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.218 10.724 -10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.141 10.669 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.943 9.331 -11.856 1.00 0.00 H new ATOM 595 N ASP A 40 -7.757 12.307 -12.235 1.00 0.00 N ATOM 596 CA ASP A 40 -8.652 13.129 -13.040 1.00 0.00 C ATOM 597 C ASP A 40 -9.895 12.341 -13.440 1.00 0.00 C ATOM 598 O ASP A 40 -10.997 12.889 -13.511 1.00 0.00 O ATOM 599 CB ASP A 40 -7.936 13.635 -14.294 1.00 0.00 C ATOM 600 CG ASP A 40 -8.728 14.709 -15.005 1.00 0.00 C ATOM 601 OD1 ASP A 40 -8.826 15.830 -14.462 1.00 0.00 O ATOM 602 OD2 ASP A 40 -9.257 14.441 -16.105 1.00 0.00 O ATOM 0 H ASP A 40 -8.011 11.320 -12.200 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.956 13.984 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.958 14.029 -14.019 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.764 12.801 -14.975 1.00 0.00 H new ATOM 607 N ALA A 41 -9.714 11.051 -13.696 1.00 0.00 N ATOM 608 CA ALA A 41 -10.812 10.194 -14.116 1.00 0.00 C ATOM 609 C ALA A 41 -10.633 8.779 -13.581 1.00 0.00 C ATOM 610 O ALA A 41 -9.509 8.296 -13.441 1.00 0.00 O ATOM 611 CB ALA A 41 -10.921 10.176 -15.634 1.00 0.00 C ATOM 0 H ALA A 41 -8.815 10.576 -13.619 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.736 10.600 -13.704 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.747 9.530 -15.932 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.102 11.187 -15.998 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.992 9.797 -16.061 1.00 0.00 H new ATOM 617 N VAL A 42 -11.746 8.127 -13.280 1.00 0.00 N ATOM 618 CA VAL A 42 -11.725 6.763 -12.765 1.00 0.00 C ATOM 619 C VAL A 42 -11.971 5.772 -13.898 1.00 0.00 C ATOM 620 O VAL A 42 -12.950 5.896 -14.634 1.00 0.00 O ATOM 621 CB VAL A 42 -12.801 6.557 -11.675 1.00 0.00 C ATOM 622 CG1 VAL A 42 -12.680 5.173 -11.050 1.00 0.00 C ATOM 623 CG2 VAL A 42 -12.710 7.642 -10.611 1.00 0.00 C ATOM 0 H VAL A 42 -12.681 8.522 -13.384 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.743 6.591 -12.325 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.780 6.630 -12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.447 5.051 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.811 4.413 -11.820 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.695 5.064 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.477 7.475 -9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.726 7.611 -10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.861 8.618 -11.073 1.00 0.00 H new ATOM 633 N TRP A 43 -11.081 4.801 -14.045 1.00 0.00 N ATOM 634 CA TRP A 43 -11.228 3.787 -15.081 1.00 0.00 C ATOM 635 C TRP A 43 -11.330 2.396 -14.471 1.00 0.00 C ATOM 636 O TRP A 43 -10.826 2.149 -13.375 1.00 0.00 O ATOM 637 CB TRP A 43 -10.050 3.835 -16.057 1.00 0.00 C ATOM 638 CG TRP A 43 -10.009 5.084 -16.883 1.00 0.00 C ATOM 639 CD1 TRP A 43 -9.211 6.173 -16.687 1.00 0.00 C ATOM 640 CD2 TRP A 43 -10.807 5.373 -18.035 1.00 0.00 C ATOM 641 NE1 TRP A 43 -9.459 7.118 -17.651 1.00 0.00 N ATOM 642 CE2 TRP A 43 -10.436 6.652 -18.491 1.00 0.00 C ATOM 643 CE3 TRP A 43 -11.798 4.673 -18.731 1.00 0.00 C ATOM 644 CZ2 TRP A 43 -11.022 7.245 -19.606 1.00 0.00 C ATOM 645 CZ3 TRP A 43 -12.378 5.262 -19.837 1.00 0.00 C ATOM 646 CH2 TRP A 43 -11.988 6.537 -20.266 1.00 0.00 C ATOM 0 H TRP A 43 -10.251 4.693 -13.462 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.149 4.001 -15.624 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.120 3.749 -15.496 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.103 2.972 -16.720 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.490 6.276 -15.890 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.992 8.021 -17.729 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -12.104 3.689 -18.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.724 8.229 -19.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.145 4.731 -20.380 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.460 6.970 -21.136 1.00 0.00 H new ATOM 657 N GLY A 44 -12.000 1.496 -15.174 1.00 0.00 N ATOM 658 CA GLY A 44 -12.078 0.120 -14.736 1.00 0.00 C ATOM 659 C GLY A 44 -10.870 -0.674 -15.184 1.00 0.00 C ATOM 660 O GLY A 44 -10.534 -0.682 -16.368 1.00 0.00 O ATOM 0 H GLY A 44 -12.493 1.696 -16.044 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.154 0.087 -13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.984 -0.339 -15.133 1.00 0.00 H new ATOM 664 N TRP A 45 -10.218 -1.337 -14.244 1.00 0.00 N ATOM 665 CA TRP A 45 -9.008 -2.083 -14.542 1.00 0.00 C ATOM 666 C TRP A 45 -9.362 -3.541 -14.837 1.00 0.00 C ATOM 667 O TRP A 45 -10.364 -4.055 -14.336 1.00 0.00 O ATOM 668 CB TRP A 45 -8.032 -1.973 -13.366 1.00 0.00 C ATOM 669 CG TRP A 45 -6.593 -2.192 -13.734 1.00 0.00 C ATOM 670 CD1 TRP A 45 -5.991 -1.895 -14.925 1.00 0.00 C ATOM 671 CD2 TRP A 45 -5.569 -2.726 -12.890 1.00 0.00 C ATOM 672 NE1 TRP A 45 -4.659 -2.228 -14.875 1.00 0.00 N ATOM 673 CE2 TRP A 45 -4.375 -2.737 -13.636 1.00 0.00 C ATOM 674 CE3 TRP A 45 -5.545 -3.201 -11.575 1.00 0.00 C ATOM 675 CZ2 TRP A 45 -3.172 -3.203 -13.110 1.00 0.00 C ATOM 676 CZ3 TRP A 45 -4.350 -3.661 -11.054 1.00 0.00 C ATOM 677 CH2 TRP A 45 -3.179 -3.659 -11.821 1.00 0.00 C ATOM 0 H TRP A 45 -10.507 -1.374 -13.267 1.00 0.00 H new ATOM 0 HA TRP A 45 -8.524 -1.666 -15.425 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.133 -0.985 -12.916 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.315 -2.700 -12.605 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.489 -1.462 -15.780 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.990 -2.115 -15.637 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -6.444 -3.208 -10.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.267 -3.204 -13.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.319 -4.028 -10.039 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.261 -4.026 -11.385 1.00 0.00 H new ATOM 688 N ASP A 46 -8.546 -4.202 -15.646 1.00 0.00 N ATOM 689 CA ASP A 46 -8.868 -5.547 -16.124 1.00 0.00 C ATOM 690 C ASP A 46 -8.163 -6.613 -15.287 1.00 0.00 C ATOM 691 O ASP A 46 -8.070 -7.776 -15.671 1.00 0.00 O ATOM 692 CB ASP A 46 -8.489 -5.667 -17.608 1.00 0.00 C ATOM 693 CG ASP A 46 -8.951 -6.964 -18.251 1.00 0.00 C ATOM 694 OD1 ASP A 46 -10.173 -7.231 -18.260 1.00 0.00 O ATOM 695 OD2 ASP A 46 -8.096 -7.715 -18.764 1.00 0.00 O ATOM 0 H ASP A 46 -7.658 -3.834 -15.986 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.940 -5.713 -16.018 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.920 -4.827 -18.153 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.406 -5.589 -17.705 1.00 0.00 H new ATOM 700 N VAL A 47 -7.697 -6.217 -14.118 1.00 0.00 N ATOM 701 CA VAL A 47 -7.006 -7.139 -13.225 1.00 0.00 C ATOM 702 C VAL A 47 -7.815 -7.346 -11.949 1.00 0.00 C ATOM 703 O VAL A 47 -7.741 -6.548 -11.016 1.00 0.00 O ATOM 704 CB VAL A 47 -5.587 -6.638 -12.872 1.00 0.00 C ATOM 705 CG1 VAL A 47 -4.892 -7.597 -11.917 1.00 0.00 C ATOM 706 CG2 VAL A 47 -4.757 -6.455 -14.135 1.00 0.00 C ATOM 0 H VAL A 47 -7.782 -5.265 -13.761 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.906 -8.090 -13.749 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.684 -5.673 -12.374 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.896 -7.221 -11.685 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.472 -7.679 -10.998 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.810 -8.579 -12.383 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.761 -6.102 -13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.676 -7.408 -14.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.239 -5.724 -14.784 1.00 0.00 H new ATOM 716 N THR A 48 -8.607 -8.408 -11.923 1.00 0.00 N ATOM 717 CA THR A 48 -9.487 -8.676 -10.795 1.00 0.00 C ATOM 718 C THR A 48 -8.779 -9.518 -9.736 1.00 0.00 C ATOM 719 O THR A 48 -9.066 -9.411 -8.546 1.00 0.00 O ATOM 720 CB THR A 48 -10.765 -9.390 -11.268 1.00 0.00 C ATOM 721 OG1 THR A 48 -11.315 -8.678 -12.385 1.00 0.00 O ATOM 722 CG2 THR A 48 -11.802 -9.467 -10.155 1.00 0.00 C ATOM 0 H THR A 48 -8.658 -9.099 -12.671 1.00 0.00 H new ATOM 0 HA THR A 48 -9.760 -7.720 -10.348 1.00 0.00 H new ATOM 0 HB THR A 48 -10.504 -10.408 -11.558 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.129 -9.129 -12.692 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.693 -9.977 -10.522 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.389 -10.019 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.067 -8.460 -9.834 1.00 0.00 H new ATOM 730 N LYS A 49 -7.854 -10.358 -10.173 1.00 0.00 N ATOM 731 CA LYS A 49 -7.057 -11.147 -9.247 1.00 0.00 C ATOM 732 C LYS A 49 -5.601 -10.706 -9.308 1.00 0.00 C ATOM 733 O LYS A 49 -5.050 -10.523 -10.394 1.00 0.00 O ATOM 734 CB LYS A 49 -7.176 -12.646 -9.546 1.00 0.00 C ATOM 735 CG LYS A 49 -8.580 -13.196 -9.336 1.00 0.00 C ATOM 736 CD LYS A 49 -8.600 -14.718 -9.334 1.00 0.00 C ATOM 737 CE LYS A 49 -8.165 -15.299 -10.670 1.00 0.00 C ATOM 738 NZ LYS A 49 -8.185 -16.786 -10.659 1.00 0.00 N ATOM 0 H LYS A 49 -7.637 -10.511 -11.158 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.439 -10.979 -8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.873 -12.828 -10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.481 -13.192 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.977 -12.827 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.236 -12.826 -10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.942 -15.087 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.606 -15.066 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.824 -14.933 -11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.160 -14.951 -10.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.882 -17.144 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.537 -17.136 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.149 -17.119 -10.457 1.00 0.00 H new ATOM 752 N PRO A 50 -4.970 -10.514 -8.136 1.00 0.00 N ATOM 753 CA PRO A 50 -3.580 -10.050 -8.039 1.00 0.00 C ATOM 754 C PRO A 50 -2.586 -10.981 -8.732 1.00 0.00 C ATOM 755 O PRO A 50 -2.957 -12.051 -9.221 1.00 0.00 O ATOM 756 CB PRO A 50 -3.312 -10.017 -6.528 1.00 0.00 C ATOM 757 CG PRO A 50 -4.659 -9.954 -5.897 1.00 0.00 C ATOM 758 CD PRO A 50 -5.573 -10.722 -6.808 1.00 0.00 C ATOM 0 HA PRO A 50 -3.451 -9.088 -8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.766 -10.904 -6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.707 -9.153 -6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.644 -10.391 -4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.992 -8.922 -5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.612 -11.779 -6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.595 -10.345 -6.765 1.00 0.00 H new ATOM 766 N GLU A 51 -1.322 -10.547 -8.770 1.00 0.00 N ATOM 767 CA GLU A 51 -0.226 -11.287 -9.412 1.00 0.00 C ATOM 768 C GLU A 51 -0.299 -11.162 -10.942 1.00 0.00 C ATOM 769 O GLU A 51 0.614 -11.568 -11.656 1.00 0.00 O ATOM 770 CB GLU A 51 -0.221 -12.761 -8.975 1.00 0.00 C ATOM 771 CG GLU A 51 1.040 -13.517 -9.362 1.00 0.00 C ATOM 772 CD GLU A 51 2.292 -12.909 -8.764 1.00 0.00 C ATOM 773 OE1 GLU A 51 2.612 -13.217 -7.597 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.973 -12.125 -9.460 1.00 0.00 O ATOM 0 H GLU A 51 -1.026 -9.664 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 51 0.714 -10.842 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.343 -12.809 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.083 -13.263 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.952 -14.553 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.131 -13.532 -10.448 1.00 0.00 H new ATOM 781 N GLN A 52 -1.380 -10.575 -11.442 1.00 0.00 N ATOM 782 CA GLN A 52 -1.513 -10.305 -12.871 1.00 0.00 C ATOM 783 C GLN A 52 -1.040 -8.890 -13.183 1.00 0.00 C ATOM 784 O GLN A 52 -1.430 -8.294 -14.188 1.00 0.00 O ATOM 785 CB GLN A 52 -2.964 -10.475 -13.323 1.00 0.00 C ATOM 786 CG GLN A 52 -3.504 -11.883 -13.151 1.00 0.00 C ATOM 787 CD GLN A 52 -4.920 -12.017 -13.670 1.00 0.00 C ATOM 788 OE1 GLN A 52 -5.141 -12.354 -14.832 1.00 0.00 O ATOM 789 NE2 GLN A 52 -5.890 -11.735 -12.815 1.00 0.00 N ATOM 0 H GLN A 52 -2.177 -10.277 -10.880 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.894 -11.020 -13.412 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.592 -9.785 -12.760 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.042 -10.193 -14.373 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.858 -12.586 -13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.478 -12.154 -12.096 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.663 -11.459 -11.859 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.864 -11.793 -13.112 1.00 0.00 H new ATOM 798 N ILE A 53 -0.194 -8.357 -12.314 1.00 0.00 N ATOM 799 CA ILE A 53 0.334 -7.015 -12.485 1.00 0.00 C ATOM 800 C ILE A 53 1.579 -7.060 -13.361 1.00 0.00 C ATOM 801 O ILE A 53 2.658 -7.445 -12.910 1.00 0.00 O ATOM 802 CB ILE A 53 0.669 -6.367 -11.124 1.00 0.00 C ATOM 803 CG1 ILE A 53 -0.559 -6.411 -10.211 1.00 0.00 C ATOM 804 CG2 ILE A 53 1.144 -4.932 -11.320 1.00 0.00 C ATOM 805 CD1 ILE A 53 -0.299 -5.900 -8.811 1.00 0.00 C ATOM 0 H ILE A 53 0.142 -8.838 -11.480 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.430 -6.406 -12.968 1.00 0.00 H new ATOM 0 HB ILE A 53 1.475 -6.929 -10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.356 -5.819 -10.661 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.919 -7.438 -10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.376 -4.490 -10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.037 -4.927 -11.944 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.359 -4.352 -11.805 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.216 -5.963 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.475 -6.506 -8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.031 -4.862 -8.858 1.00 0.00 H new ATOM 817 N ASP A 54 1.409 -6.689 -14.620 1.00 0.00 N ATOM 818 CA ASP A 54 2.479 -6.776 -15.601 1.00 0.00 C ATOM 819 C ASP A 54 2.587 -5.469 -16.386 1.00 0.00 C ATOM 820 O ASP A 54 1.748 -4.579 -16.233 1.00 0.00 O ATOM 821 CB ASP A 54 2.202 -7.958 -16.543 1.00 0.00 C ATOM 822 CG ASP A 54 3.234 -8.106 -17.641 1.00 0.00 C ATOM 823 OD1 ASP A 54 4.364 -8.541 -17.347 1.00 0.00 O ATOM 824 OD2 ASP A 54 2.920 -7.770 -18.803 1.00 0.00 O ATOM 0 H ASP A 54 0.532 -6.322 -14.989 1.00 0.00 H new ATOM 0 HA ASP A 54 3.429 -6.940 -15.093 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.169 -8.878 -15.959 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.218 -7.831 -16.994 1.00 0.00 H new ATOM 829 N ARG A 55 3.624 -5.360 -17.214 1.00 0.00 N ATOM 830 CA ARG A 55 3.814 -4.205 -18.086 1.00 0.00 C ATOM 831 C ARG A 55 2.579 -3.953 -18.941 1.00 0.00 C ATOM 832 O ARG A 55 2.221 -2.806 -19.204 1.00 0.00 O ATOM 833 CB ARG A 55 5.021 -4.425 -18.993 1.00 0.00 C ATOM 834 CG ARG A 55 6.351 -4.351 -18.270 1.00 0.00 C ATOM 835 CD ARG A 55 7.512 -4.573 -19.225 1.00 0.00 C ATOM 836 NE ARG A 55 7.353 -3.807 -20.461 1.00 0.00 N ATOM 837 CZ ARG A 55 7.923 -2.627 -20.689 1.00 0.00 C ATOM 838 NH1 ARG A 55 8.705 -2.067 -19.775 1.00 0.00 N ATOM 839 NH2 ARG A 55 7.713 -2.006 -21.839 1.00 0.00 N ATOM 0 H ARG A 55 4.353 -6.068 -17.299 1.00 0.00 H new ATOM 0 HA ARG A 55 3.984 -3.333 -17.454 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.932 -5.401 -19.471 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.008 -3.679 -19.787 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.453 -3.377 -17.790 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.380 -5.100 -17.479 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.444 -4.287 -18.737 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.590 -5.634 -19.462 1.00 0.00 H new ATOM 0 HE ARG A 55 6.767 -4.203 -21.196 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.874 -2.542 -18.888 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.138 -1.162 -19.959 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.116 -2.432 -22.547 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.149 -1.101 -22.017 1.00 0.00 H new ATOM 853 N TYR A 56 1.943 -5.030 -19.380 1.00 0.00 N ATOM 854 CA TYR A 56 0.706 -4.937 -20.147 1.00 0.00 C ATOM 855 C TYR A 56 -0.405 -4.309 -19.306 1.00 0.00 C ATOM 856 O TYR A 56 -1.132 -3.429 -19.770 1.00 0.00 O ATOM 857 CB TYR A 56 0.284 -6.328 -20.635 1.00 0.00 C ATOM 858 CG TYR A 56 -1.123 -6.384 -21.192 1.00 0.00 C ATOM 859 CD1 TYR A 56 -1.430 -5.829 -22.428 1.00 0.00 C ATOM 860 CD2 TYR A 56 -2.146 -6.990 -20.472 1.00 0.00 C ATOM 861 CE1 TYR A 56 -2.717 -5.874 -22.929 1.00 0.00 C ATOM 862 CE2 TYR A 56 -3.433 -7.042 -20.968 1.00 0.00 C ATOM 863 CZ TYR A 56 -3.715 -6.482 -22.194 1.00 0.00 C ATOM 864 OH TYR A 56 -5.001 -6.529 -22.687 1.00 0.00 O ATOM 0 H TYR A 56 2.265 -5.984 -19.218 1.00 0.00 H new ATOM 0 HA TYR A 56 0.882 -4.298 -21.012 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.982 -6.659 -21.404 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.364 -7.032 -19.807 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.651 -5.355 -23.006 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.930 -7.427 -19.508 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.941 -5.436 -23.890 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.215 -7.520 -20.397 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.580 -6.992 -22.047 1.00 0.00 H new ATOM 874 N SER A 57 -0.515 -4.754 -18.064 1.00 0.00 N ATOM 875 CA SER A 57 -1.561 -4.289 -17.165 1.00 0.00 C ATOM 876 C SER A 57 -1.351 -2.822 -16.785 1.00 0.00 C ATOM 877 O SER A 57 -2.311 -2.069 -16.608 1.00 0.00 O ATOM 878 CB SER A 57 -1.563 -5.159 -15.910 1.00 0.00 C ATOM 879 OG SER A 57 -1.338 -6.517 -16.247 1.00 0.00 O ATOM 0 H SER A 57 0.114 -5.443 -17.652 1.00 0.00 H new ATOM 0 HA SER A 57 -2.522 -4.367 -17.674 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.791 -4.816 -15.222 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.518 -5.060 -15.393 1.00 0.00 H new ATOM 0 HG SER A 57 -2.109 -7.055 -15.970 1.00 0.00 H new ATOM 885 N LEU A 58 -0.088 -2.424 -16.674 1.00 0.00 N ATOM 886 CA LEU A 58 0.259 -1.072 -16.254 1.00 0.00 C ATOM 887 C LEU A 58 0.610 -0.193 -17.449 1.00 0.00 C ATOM 888 O LEU A 58 1.170 0.890 -17.285 1.00 0.00 O ATOM 889 CB LEU A 58 1.445 -1.110 -15.284 1.00 0.00 C ATOM 890 CG LEU A 58 1.207 -1.884 -13.985 1.00 0.00 C ATOM 891 CD1 LEU A 58 2.477 -1.921 -13.151 1.00 0.00 C ATOM 892 CD2 LEU A 58 0.067 -1.261 -13.192 1.00 0.00 C ATOM 0 H LEU A 58 0.715 -3.022 -16.870 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.611 -0.645 -15.755 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.299 -1.551 -15.798 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.719 -0.086 -15.032 1.00 0.00 H new ATOM 0 HG LEU A 58 0.929 -2.907 -14.239 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.292 -2.475 -12.231 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.269 -2.411 -13.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.782 -0.903 -12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.087 -1.825 -12.272 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.316 -0.228 -12.947 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.845 -1.283 -13.788 1.00 0.00 H new ATOM 904 N GLN A 59 0.262 -0.649 -18.647 1.00 0.00 N ATOM 905 CA GLN A 59 0.611 0.073 -19.868 1.00 0.00 C ATOM 906 C GLN A 59 -0.007 1.471 -19.870 1.00 0.00 C ATOM 907 O GLN A 59 0.601 2.428 -20.346 1.00 0.00 O ATOM 908 CB GLN A 59 0.159 -0.707 -21.102 1.00 0.00 C ATOM 909 CG GLN A 59 0.735 -0.167 -22.399 1.00 0.00 C ATOM 910 CD GLN A 59 0.280 -0.951 -23.609 1.00 0.00 C ATOM 911 OE1 GLN A 59 0.914 -1.929 -24.004 1.00 0.00 O ATOM 912 NE2 GLN A 59 -0.822 -0.529 -24.203 1.00 0.00 N ATOM 0 H GLN A 59 -0.260 -1.512 -18.800 1.00 0.00 H new ATOM 0 HA GLN A 59 1.696 0.177 -19.899 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.451 -1.751 -20.990 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.929 -0.685 -21.159 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.442 0.876 -22.516 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.823 -0.188 -22.345 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.316 0.287 -23.841 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.179 -1.019 -25.023 1.00 0.00 H new ATOM 921 N ARG A 60 -1.205 1.582 -19.310 1.00 0.00 N ATOM 922 CA ARG A 60 -1.892 2.864 -19.221 1.00 0.00 C ATOM 923 C ARG A 60 -1.141 3.806 -18.283 1.00 0.00 C ATOM 924 O ARG A 60 -1.153 5.022 -18.464 1.00 0.00 O ATOM 925 CB ARG A 60 -3.329 2.665 -18.735 1.00 0.00 C ATOM 926 CG ARG A 60 -4.162 3.937 -18.746 1.00 0.00 C ATOM 927 CD ARG A 60 -5.612 3.660 -18.382 1.00 0.00 C ATOM 928 NE ARG A 60 -6.209 2.654 -19.257 1.00 0.00 N ATOM 929 CZ ARG A 60 -7.090 2.932 -20.219 1.00 0.00 C ATOM 930 NH1 ARG A 60 -7.456 4.186 -20.448 1.00 0.00 N ATOM 931 NH2 ARG A 60 -7.590 1.954 -20.961 1.00 0.00 N ATOM 0 H ARG A 60 -1.721 0.799 -18.910 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.919 3.312 -20.214 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.815 1.918 -19.363 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.308 2.264 -17.722 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.740 4.655 -18.042 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.115 4.395 -19.734 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.669 3.321 -17.347 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.186 4.584 -18.447 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.936 1.680 -19.124 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.063 4.942 -19.887 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.130 4.394 -21.185 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.301 0.990 -20.796 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.264 2.166 -21.697 1.00 0.00 H new ATOM 945 N VAL A 61 -0.472 3.229 -17.293 1.00 0.00 N ATOM 946 CA VAL A 61 0.321 4.004 -16.347 1.00 0.00 C ATOM 947 C VAL A 61 1.512 4.636 -17.059 1.00 0.00 C ATOM 948 O VAL A 61 1.866 5.783 -16.799 1.00 0.00 O ATOM 949 CB VAL A 61 0.818 3.130 -15.173 1.00 0.00 C ATOM 950 CG1 VAL A 61 1.661 3.944 -14.201 1.00 0.00 C ATOM 951 CG2 VAL A 61 -0.358 2.489 -14.451 1.00 0.00 C ATOM 0 H VAL A 61 -0.463 2.223 -17.124 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.319 4.786 -15.939 1.00 0.00 H new ATOM 0 HB VAL A 61 1.447 2.340 -15.584 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.997 3.303 -13.386 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.527 4.351 -14.723 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.064 4.762 -13.798 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.010 1.877 -13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.013 3.268 -14.060 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.915 1.862 -15.148 1.00 0.00 H new ATOM 961 N PHE A 62 2.110 3.881 -17.975 1.00 0.00 N ATOM 962 CA PHE A 62 3.213 4.394 -18.782 1.00 0.00 C ATOM 963 C PHE A 62 2.742 5.530 -19.685 1.00 0.00 C ATOM 964 O PHE A 62 3.483 6.477 -19.947 1.00 0.00 O ATOM 965 CB PHE A 62 3.829 3.282 -19.637 1.00 0.00 C ATOM 966 CG PHE A 62 4.578 2.243 -18.852 1.00 0.00 C ATOM 967 CD1 PHE A 62 5.879 2.474 -18.438 1.00 0.00 C ATOM 968 CD2 PHE A 62 3.984 1.033 -18.538 1.00 0.00 C ATOM 969 CE1 PHE A 62 6.574 1.516 -17.726 1.00 0.00 C ATOM 970 CE2 PHE A 62 4.672 0.071 -17.825 1.00 0.00 C ATOM 971 CZ PHE A 62 5.969 0.314 -17.419 1.00 0.00 C ATOM 0 H PHE A 62 1.851 2.915 -18.177 1.00 0.00 H new ATOM 0 HA PHE A 62 3.971 4.775 -18.098 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.036 2.792 -20.202 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.507 3.731 -20.363 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.356 3.414 -18.674 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.970 0.839 -18.854 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.589 1.707 -17.410 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.197 -0.869 -17.586 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.510 -0.436 -16.861 1.00 0.00 H new ATOM 981 N ASP A 63 1.507 5.431 -20.163 1.00 0.00 N ATOM 982 CA ASP A 63 0.957 6.443 -21.061 1.00 0.00 C ATOM 983 C ASP A 63 0.581 7.712 -20.306 1.00 0.00 C ATOM 984 O ASP A 63 0.880 8.819 -20.749 1.00 0.00 O ATOM 985 CB ASP A 63 -0.262 5.905 -21.817 1.00 0.00 C ATOM 986 CG ASP A 63 0.113 4.908 -22.895 1.00 0.00 C ATOM 987 OD1 ASP A 63 1.162 5.096 -23.549 1.00 0.00 O ATOM 988 OD2 ASP A 63 -0.652 3.944 -23.113 1.00 0.00 O ATOM 0 H ASP A 63 0.869 4.665 -19.946 1.00 0.00 H new ATOM 0 HA ASP A 63 1.736 6.690 -21.782 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.943 5.431 -21.110 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.801 6.738 -22.269 1.00 0.00 H new ATOM 993 N ASN A 64 -0.062 7.553 -19.158 1.00 0.00 N ATOM 994 CA ASN A 64 -0.494 8.699 -18.356 1.00 0.00 C ATOM 995 C ASN A 64 0.564 9.081 -17.327 1.00 0.00 C ATOM 996 O ASN A 64 0.261 9.727 -16.326 1.00 0.00 O ATOM 997 CB ASN A 64 -1.819 8.396 -17.646 1.00 0.00 C ATOM 998 CG ASN A 64 -3.003 8.352 -18.593 1.00 0.00 C ATOM 999 OD1 ASN A 64 -3.325 7.308 -19.156 1.00 0.00 O ATOM 1000 ND2 ASN A 64 -3.669 9.487 -18.770 1.00 0.00 N ATOM 0 H ASN A 64 -0.298 6.645 -18.758 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.638 9.539 -19.035 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.738 7.439 -17.130 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.998 9.155 -16.884 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.478 9.512 -19.391 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.372 10.334 -18.285 1.00 0.00 H new ATOM 1007 N ALA A 65 1.812 8.713 -17.600 1.00 0.00 N ATOM 1008 CA ALA A 65 2.917 8.954 -16.672 1.00 0.00 C ATOM 1009 C ALA A 65 3.112 10.442 -16.378 1.00 0.00 C ATOM 1010 O ALA A 65 3.641 10.810 -15.333 1.00 0.00 O ATOM 1011 CB ALA A 65 4.202 8.357 -17.222 1.00 0.00 C ATOM 0 H ALA A 65 2.087 8.243 -18.463 1.00 0.00 H new ATOM 0 HA ALA A 65 2.662 8.467 -15.731 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.018 8.542 -16.523 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.076 7.283 -17.356 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.435 8.817 -18.182 1.00 0.00 H new ATOM 1017 N ASN A 66 2.663 11.297 -17.290 1.00 0.00 N ATOM 1018 CA ASN A 66 2.822 12.741 -17.125 1.00 0.00 C ATOM 1019 C ASN A 66 1.818 13.297 -16.118 1.00 0.00 C ATOM 1020 O ASN A 66 1.803 14.497 -15.842 1.00 0.00 O ATOM 1021 CB ASN A 66 2.665 13.469 -18.464 1.00 0.00 C ATOM 1022 CG ASN A 66 3.732 13.083 -19.469 1.00 0.00 C ATOM 1023 OD1 ASN A 66 4.826 13.644 -19.476 1.00 0.00 O ATOM 1024 ND2 ASN A 66 3.414 12.139 -20.338 1.00 0.00 N ATOM 0 H ASN A 66 2.188 11.019 -18.149 1.00 0.00 H new ATOM 0 HA ASN A 66 3.829 12.913 -16.746 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.682 13.247 -18.880 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.704 14.545 -18.294 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.088 11.852 -21.048 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.495 11.698 -20.298 1.00 0.00 H new ATOM 1031 N ALA A 67 0.973 12.430 -15.581 1.00 0.00 N ATOM 1032 CA ALA A 67 0.001 12.834 -14.575 1.00 0.00 C ATOM 1033 C ALA A 67 0.124 11.964 -13.333 1.00 0.00 C ATOM 1034 O ALA A 67 -0.661 12.089 -12.393 1.00 0.00 O ATOM 1035 CB ALA A 67 -1.409 12.753 -15.140 1.00 0.00 C ATOM 0 H ALA A 67 0.940 11.440 -15.825 1.00 0.00 H new ATOM 0 HA ALA A 67 0.205 13.867 -14.293 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.125 13.058 -14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.494 13.414 -16.002 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.620 11.728 -15.447 1.00 0.00 H new ATOM 1041 N ILE A 68 1.121 11.093 -13.324 1.00 0.00 N ATOM 1042 CA ILE A 68 1.294 10.150 -12.232 1.00 0.00 C ATOM 1043 C ILE A 68 2.636 10.353 -11.540 1.00 0.00 C ATOM 1044 O ILE A 68 3.690 10.115 -12.123 1.00 0.00 O ATOM 1045 CB ILE A 68 1.185 8.690 -12.726 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -0.169 8.456 -13.401 1.00 0.00 C ATOM 1047 CG2 ILE A 68 1.377 7.720 -11.566 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -0.317 7.081 -14.018 1.00 0.00 C ATOM 0 H ILE A 68 1.822 11.020 -14.061 1.00 0.00 H new ATOM 0 HA ILE A 68 0.493 10.339 -11.517 1.00 0.00 H new ATOM 0 HB ILE A 68 1.972 8.512 -13.458 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.960 8.601 -12.666 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.313 9.209 -14.176 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.297 6.696 -11.931 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.362 7.872 -11.124 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.610 7.897 -10.813 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.302 6.992 -14.476 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.451 6.939 -14.778 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.207 6.321 -13.244 1.00 0.00 H new ATOM 1060 N ASP A 69 2.578 10.820 -10.303 1.00 0.00 N ATOM 1061 CA ASP A 69 3.764 10.949 -9.467 1.00 0.00 C ATOM 1062 C ASP A 69 3.897 9.718 -8.595 1.00 0.00 C ATOM 1063 O ASP A 69 4.936 9.062 -8.567 1.00 0.00 O ATOM 1064 CB ASP A 69 3.671 12.198 -8.585 1.00 0.00 C ATOM 1065 CG ASP A 69 4.846 12.342 -7.639 1.00 0.00 C ATOM 1066 OD1 ASP A 69 5.908 12.835 -8.075 1.00 0.00 O ATOM 1067 OD2 ASP A 69 4.709 11.975 -6.451 1.00 0.00 O ATOM 0 H ASP A 69 1.714 11.119 -9.851 1.00 0.00 H new ATOM 0 HA ASP A 69 4.639 11.045 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.613 13.082 -9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.748 12.160 -8.006 1.00 0.00 H new ATOM 1072 N THR A 70 2.822 9.399 -7.896 1.00 0.00 N ATOM 1073 CA THR A 70 2.793 8.236 -7.033 1.00 0.00 C ATOM 1074 C THR A 70 1.827 7.195 -7.584 1.00 0.00 C ATOM 1075 O THR A 70 0.709 7.523 -7.981 1.00 0.00 O ATOM 1076 CB THR A 70 2.374 8.623 -5.601 1.00 0.00 C ATOM 1077 OG1 THR A 70 3.144 9.747 -5.158 1.00 0.00 O ATOM 1078 CG2 THR A 70 2.571 7.462 -4.637 1.00 0.00 C ATOM 0 H THR A 70 1.954 9.934 -7.911 1.00 0.00 H new ATOM 0 HA THR A 70 3.798 7.816 -7.001 1.00 0.00 H new ATOM 0 HB THR A 70 1.315 8.882 -5.616 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.873 9.991 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.267 7.765 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.965 6.615 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.622 7.173 -4.625 1.00 0.00 H new ATOM 1086 N LEU A 71 2.269 5.949 -7.633 1.00 0.00 N ATOM 1087 CA LEU A 71 1.425 4.857 -8.084 1.00 0.00 C ATOM 1088 C LEU A 71 1.149 3.904 -6.931 1.00 0.00 C ATOM 1089 O LEU A 71 1.995 3.084 -6.577 1.00 0.00 O ATOM 1090 CB LEU A 71 2.093 4.108 -9.243 1.00 0.00 C ATOM 1091 CG LEU A 71 1.296 2.928 -9.808 1.00 0.00 C ATOM 1092 CD1 LEU A 71 -0.021 3.399 -10.403 1.00 0.00 C ATOM 1093 CD2 LEU A 71 2.117 2.185 -10.851 1.00 0.00 C ATOM 0 H LEU A 71 3.212 5.669 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 71 0.479 5.268 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.283 4.816 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.063 3.742 -8.906 1.00 0.00 H new ATOM 0 HG LEU A 71 1.072 2.244 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.569 2.543 -10.798 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.616 3.886 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.176 4.106 -11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.537 1.349 -11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.371 2.864 -11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.032 1.809 -10.393 1.00 0.00 H new ATOM 1105 N ILE A 72 -0.028 4.031 -6.338 1.00 0.00 N ATOM 1106 CA ILE A 72 -0.418 3.179 -5.228 1.00 0.00 C ATOM 1107 C ILE A 72 -1.157 1.956 -5.747 1.00 0.00 C ATOM 1108 O ILE A 72 -2.210 2.074 -6.371 1.00 0.00 O ATOM 1109 CB ILE A 72 -1.315 3.926 -4.214 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -0.574 5.129 -3.625 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -1.766 2.982 -3.103 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -1.394 5.925 -2.630 1.00 0.00 C ATOM 0 H ILE A 72 -0.731 4.719 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 72 0.494 2.876 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.198 4.289 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.335 4.780 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.266 5.787 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.396 3.524 -2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.332 2.156 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.893 2.590 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.802 6.761 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.291 6.305 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.680 5.282 -1.797 1.00 0.00 H new ATOM 1124 N VAL A 73 -0.593 0.787 -5.508 1.00 0.00 N ATOM 1125 CA VAL A 73 -1.205 -0.453 -5.951 1.00 0.00 C ATOM 1126 C VAL A 73 -1.770 -1.219 -4.761 1.00 0.00 C ATOM 1127 O VAL A 73 -1.023 -1.644 -3.879 1.00 0.00 O ATOM 1128 CB VAL A 73 -0.196 -1.345 -6.703 1.00 0.00 C ATOM 1129 CG1 VAL A 73 -0.882 -2.580 -7.263 1.00 0.00 C ATOM 1130 CG2 VAL A 73 0.488 -0.563 -7.816 1.00 0.00 C ATOM 0 H VAL A 73 0.289 0.669 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.012 -0.193 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 73 0.565 -1.669 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.152 -3.195 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.319 -3.155 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.668 -2.277 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.196 -1.211 -8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.261 -0.205 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.020 0.288 -7.389 1.00 0.00 H new ATOM 1140 N GLY A 74 -3.086 -1.374 -4.740 1.00 0.00 N ATOM 1141 CA GLY A 74 -3.739 -2.113 -3.677 1.00 0.00 C ATOM 1142 C GLY A 74 -3.925 -3.566 -4.053 1.00 0.00 C ATOM 1143 O GLY A 74 -4.843 -3.908 -4.797 1.00 0.00 O ATOM 0 H GLY A 74 -3.718 -0.998 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.146 -2.044 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.708 -1.664 -3.461 1.00 0.00 H new ATOM 1147 N THR A 75 -3.057 -4.421 -3.534 1.00 0.00 N ATOM 1148 CA THR A 75 -3.018 -5.817 -3.942 1.00 0.00 C ATOM 1149 C THR A 75 -3.841 -6.716 -3.021 1.00 0.00 C ATOM 1150 O THR A 75 -3.444 -7.840 -2.706 1.00 0.00 O ATOM 1151 CB THR A 75 -1.562 -6.309 -3.996 1.00 0.00 C ATOM 1152 OG1 THR A 75 -0.892 -6.016 -2.759 1.00 0.00 O ATOM 1153 CG2 THR A 75 -0.829 -5.644 -5.151 1.00 0.00 C ATOM 0 H THR A 75 -2.367 -4.171 -2.826 1.00 0.00 H new ATOM 0 HA THR A 75 -3.464 -5.877 -4.935 1.00 0.00 H new ATOM 0 HB THR A 75 -1.564 -7.388 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.114 -6.703 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.201 -5.999 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.326 -5.893 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.836 -4.563 -5.012 1.00 0.00 H new ATOM 1161 N GLY A 76 -5.000 -6.229 -2.610 1.00 0.00 N ATOM 1162 CA GLY A 76 -5.888 -7.025 -1.793 1.00 0.00 C ATOM 1163 C GLY A 76 -5.572 -6.916 -0.319 1.00 0.00 C ATOM 1164 O GLY A 76 -5.284 -5.832 0.188 1.00 0.00 O ATOM 0 H GLY A 76 -5.342 -5.293 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.917 -6.708 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.821 -8.069 -2.100 1.00 0.00 H new ATOM 1168 N ALA A 77 -5.619 -8.043 0.374 1.00 0.00 N ATOM 1169 CA ALA A 77 -5.381 -8.067 1.808 1.00 0.00 C ATOM 1170 C ALA A 77 -3.975 -8.563 2.114 1.00 0.00 C ATOM 1171 O ALA A 77 -3.630 -8.819 3.269 1.00 0.00 O ATOM 1172 CB ALA A 77 -6.417 -8.944 2.497 1.00 0.00 C ATOM 0 H ALA A 77 -5.820 -8.955 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.472 -7.050 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.229 -8.954 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.414 -8.547 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.351 -9.960 2.107 1.00 0.00 H new ATOM 1178 N ASP A 78 -3.161 -8.678 1.078 1.00 0.00 N ATOM 1179 CA ASP A 78 -1.807 -9.185 1.230 1.00 0.00 C ATOM 1180 C ASP A 78 -0.825 -8.262 0.527 1.00 0.00 C ATOM 1181 O ASP A 78 -1.172 -7.616 -0.463 1.00 0.00 O ATOM 1182 CB ASP A 78 -1.704 -10.601 0.660 1.00 0.00 C ATOM 1183 CG ASP A 78 -0.491 -11.346 1.178 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -0.540 -11.822 2.332 1.00 0.00 O ATOM 1185 OD2 ASP A 78 0.506 -11.474 0.438 1.00 0.00 O ATOM 0 H ASP A 78 -3.414 -8.427 0.122 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.561 -9.219 2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.605 -11.159 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.658 -10.549 -0.428 1.00 0.00 H new ATOM 1190 N VAL A 79 0.390 -8.185 1.048 1.00 0.00 N ATOM 1191 CA VAL A 79 1.411 -7.324 0.475 1.00 0.00 C ATOM 1192 C VAL A 79 2.133 -8.036 -0.664 1.00 0.00 C ATOM 1193 O VAL A 79 2.890 -8.983 -0.440 1.00 0.00 O ATOM 1194 CB VAL A 79 2.441 -6.880 1.536 1.00 0.00 C ATOM 1195 CG1 VAL A 79 3.471 -5.938 0.930 1.00 0.00 C ATOM 1196 CG2 VAL A 79 1.744 -6.220 2.717 1.00 0.00 C ATOM 0 H VAL A 79 0.693 -8.710 1.869 1.00 0.00 H new ATOM 0 HA VAL A 79 0.908 -6.437 0.090 1.00 0.00 H new ATOM 0 HB VAL A 79 2.961 -7.768 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.186 -5.639 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.997 -6.446 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.969 -5.054 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.487 -5.914 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.194 -5.345 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.051 -6.928 3.173 1.00 0.00 H new ATOM 1206 N TRP A 80 1.874 -7.597 -1.883 1.00 0.00 N ATOM 1207 CA TRP A 80 2.549 -8.146 -3.047 1.00 0.00 C ATOM 1208 C TRP A 80 3.796 -7.322 -3.345 1.00 0.00 C ATOM 1209 O TRP A 80 3.712 -6.119 -3.572 1.00 0.00 O ATOM 1210 CB TRP A 80 1.600 -8.153 -4.246 1.00 0.00 C ATOM 1211 CG TRP A 80 2.170 -8.782 -5.482 1.00 0.00 C ATOM 1212 CD1 TRP A 80 2.254 -10.116 -5.756 1.00 0.00 C ATOM 1213 CD2 TRP A 80 2.719 -8.103 -6.617 1.00 0.00 C ATOM 1214 NE1 TRP A 80 2.831 -10.308 -6.987 1.00 0.00 N ATOM 1215 CE2 TRP A 80 3.125 -9.088 -7.535 1.00 0.00 C ATOM 1216 CE3 TRP A 80 2.910 -6.758 -6.944 1.00 0.00 C ATOM 1217 CZ2 TRP A 80 3.708 -8.771 -8.759 1.00 0.00 C ATOM 1218 CZ3 TRP A 80 3.490 -6.443 -8.159 1.00 0.00 C ATOM 1219 CH2 TRP A 80 3.882 -7.446 -9.054 1.00 0.00 C ATOM 0 H TRP A 80 1.200 -6.861 -2.093 1.00 0.00 H new ATOM 0 HA TRP A 80 2.849 -9.174 -2.846 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.689 -8.684 -3.970 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.314 -7.126 -4.474 1.00 0.00 H new ATOM 0 HD1 TRP A 80 1.916 -10.905 -5.101 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.011 -11.213 -7.423 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.610 -5.978 -6.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.012 -9.543 -9.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.643 -5.407 -8.422 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.331 -7.168 -9.996 1.00 0.00 H new ATOM 1230 N ILE A 81 4.947 -7.970 -3.327 1.00 0.00 N ATOM 1231 CA ILE A 81 6.207 -7.281 -3.551 1.00 0.00 C ATOM 1232 C ILE A 81 6.520 -7.219 -5.041 1.00 0.00 C ATOM 1233 O ILE A 81 6.680 -8.250 -5.696 1.00 0.00 O ATOM 1234 CB ILE A 81 7.368 -7.977 -2.808 1.00 0.00 C ATOM 1235 CG1 ILE A 81 7.065 -8.058 -1.309 1.00 0.00 C ATOM 1236 CG2 ILE A 81 8.677 -7.234 -3.046 1.00 0.00 C ATOM 1237 CD1 ILE A 81 8.123 -8.785 -0.509 1.00 0.00 C ATOM 0 H ILE A 81 5.036 -8.972 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 81 6.104 -6.269 -3.159 1.00 0.00 H new ATOM 0 HB ILE A 81 7.472 -8.989 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.956 -7.048 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.108 -8.560 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.484 -7.739 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 81 8.898 -7.220 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 81 8.586 -6.211 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.837 -8.801 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.217 -9.807 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.078 -8.271 -0.618 1.00 0.00 H new ATOM 1249 N ALA A 82 6.589 -6.008 -5.569 1.00 0.00 N ATOM 1250 CA ALA A 82 6.897 -5.805 -6.972 1.00 0.00 C ATOM 1251 C ALA A 82 8.378 -6.049 -7.234 1.00 0.00 C ATOM 1252 O ALA A 82 9.236 -5.534 -6.510 1.00 0.00 O ATOM 1253 CB ALA A 82 6.499 -4.402 -7.406 1.00 0.00 C ATOM 0 H ALA A 82 6.435 -5.148 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 82 6.323 -6.522 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.737 -4.266 -8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.428 -4.264 -7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.046 -3.669 -6.813 1.00 0.00 H new ATOM 1259 N PRO A 83 8.695 -6.851 -8.264 1.00 0.00 N ATOM 1260 CA PRO A 83 10.076 -7.144 -8.651 1.00 0.00 C ATOM 1261 C PRO A 83 10.884 -5.873 -8.891 1.00 0.00 C ATOM 1262 O PRO A 83 10.365 -4.881 -9.413 1.00 0.00 O ATOM 1263 CB PRO A 83 9.938 -7.950 -9.953 1.00 0.00 C ATOM 1264 CG PRO A 83 8.518 -7.787 -10.380 1.00 0.00 C ATOM 1265 CD PRO A 83 7.730 -7.545 -9.125 1.00 0.00 C ATOM 0 HA PRO A 83 10.609 -7.683 -7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.622 -7.580 -10.717 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.180 -9.000 -9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.413 -6.952 -11.073 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.162 -8.678 -10.898 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.846 -6.936 -9.314 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.386 -8.477 -8.677 1.00 0.00 H new ATOM 1273 N ARG A 84 12.156 -5.915 -8.520 1.00 0.00 N ATOM 1274 CA ARG A 84 13.029 -4.752 -8.605 1.00 0.00 C ATOM 1275 C ARG A 84 13.196 -4.285 -10.046 1.00 0.00 C ATOM 1276 O ARG A 84 13.362 -3.093 -10.301 1.00 0.00 O ATOM 1277 CB ARG A 84 14.381 -5.065 -7.964 1.00 0.00 C ATOM 1278 CG ARG A 84 14.311 -5.111 -6.446 1.00 0.00 C ATOM 1279 CD ARG A 84 15.586 -5.642 -5.817 1.00 0.00 C ATOM 1280 NE ARG A 84 15.741 -7.083 -6.007 1.00 0.00 N ATOM 1281 CZ ARG A 84 15.157 -8.006 -5.238 1.00 0.00 C ATOM 1282 NH1 ARG A 84 14.305 -7.645 -4.279 1.00 0.00 N ATOM 1283 NH2 ARG A 84 15.413 -9.292 -5.435 1.00 0.00 N ATOM 0 H ARG A 84 12.610 -6.751 -8.153 1.00 0.00 H new ATOM 0 HA ARG A 84 12.565 -3.933 -8.055 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.743 -6.023 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.107 -4.311 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.113 -4.109 -6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.473 -5.739 -6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 84 16.444 -5.127 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.583 -5.417 -4.751 1.00 0.00 H new ATOM 0 HE ARG A 84 16.332 -7.404 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.095 -6.658 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.863 -8.355 -3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.056 -9.577 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.967 -9.997 -4.848 1.00 0.00 H new ATOM 1297 N GLN A 85 13.124 -5.222 -10.984 1.00 0.00 N ATOM 1298 CA GLN A 85 13.177 -4.890 -12.404 1.00 0.00 C ATOM 1299 C GLN A 85 11.996 -4.003 -12.790 1.00 0.00 C ATOM 1300 O GLN A 85 12.169 -2.941 -13.392 1.00 0.00 O ATOM 1301 CB GLN A 85 13.170 -6.167 -13.246 1.00 0.00 C ATOM 1302 CG GLN A 85 14.396 -7.034 -13.030 1.00 0.00 C ATOM 1303 CD GLN A 85 15.673 -6.353 -13.481 1.00 0.00 C ATOM 1304 OE1 GLN A 85 15.675 -5.575 -14.437 1.00 0.00 O ATOM 1305 NE2 GLN A 85 16.761 -6.623 -12.782 1.00 0.00 N ATOM 0 H GLN A 85 13.029 -6.218 -10.787 1.00 0.00 H new ATOM 0 HA GLN A 85 14.101 -4.344 -12.597 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.278 -6.746 -13.008 1.00 0.00 H new ATOM 0 HB3 GLN A 85 13.104 -5.899 -14.300 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.477 -7.287 -11.973 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.275 -7.971 -13.574 1.00 0.00 H new ATOM 0 HE21 GLN A 85 16.715 -7.273 -11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.647 -6.181 -13.027 1.00 0.00 H new ATOM 1314 N LEU A 86 10.801 -4.440 -12.409 1.00 0.00 N ATOM 1315 CA LEU A 86 9.575 -3.713 -12.714 1.00 0.00 C ATOM 1316 C LEU A 86 9.540 -2.380 -11.973 1.00 0.00 C ATOM 1317 O LEU A 86 9.168 -1.352 -12.541 1.00 0.00 O ATOM 1318 CB LEU A 86 8.356 -4.558 -12.327 1.00 0.00 C ATOM 1319 CG LEU A 86 6.993 -3.905 -12.576 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.755 -3.706 -14.064 1.00 0.00 C ATOM 1321 CD2 LEU A 86 5.882 -4.746 -11.965 1.00 0.00 C ATOM 0 H LEU A 86 10.655 -5.302 -11.884 1.00 0.00 H new ATOM 0 HA LEU A 86 9.549 -3.514 -13.785 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.396 -5.496 -12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.431 -4.809 -11.269 1.00 0.00 H new ATOM 0 HG LEU A 86 6.989 -2.926 -12.097 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.781 -3.241 -14.218 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.533 -3.062 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.780 -4.672 -14.569 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.920 -4.268 -12.151 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.887 -5.739 -12.416 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.042 -4.835 -10.890 1.00 0.00 H new ATOM 1333 N ARG A 87 9.941 -2.403 -10.707 1.00 0.00 N ATOM 1334 CA ARG A 87 9.917 -1.206 -9.880 1.00 0.00 C ATOM 1335 C ARG A 87 10.884 -0.149 -10.409 1.00 0.00 C ATOM 1336 O ARG A 87 10.526 1.023 -10.509 1.00 0.00 O ATOM 1337 CB ARG A 87 10.237 -1.546 -8.422 1.00 0.00 C ATOM 1338 CG ARG A 87 10.227 -0.333 -7.505 1.00 0.00 C ATOM 1339 CD ARG A 87 10.337 -0.723 -6.040 1.00 0.00 C ATOM 1340 NE ARG A 87 11.483 -1.592 -5.778 1.00 0.00 N ATOM 1341 CZ ARG A 87 12.726 -1.157 -5.576 1.00 0.00 C ATOM 1342 NH1 ARG A 87 13.012 0.139 -5.654 1.00 0.00 N ATOM 1343 NH2 ARG A 87 13.688 -2.027 -5.298 1.00 0.00 N ATOM 0 H ARG A 87 10.286 -3.238 -10.233 1.00 0.00 H new ATOM 0 HA ARG A 87 8.910 -0.792 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.512 -2.274 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.217 -2.021 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.055 0.326 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.308 0.232 -7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.422 0.178 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.422 -1.230 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 87 11.320 -2.598 -5.748 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.276 0.812 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.967 0.461 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.474 -3.023 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.642 -1.700 -5.142 1.00 0.00 H new ATOM 1357 N GLU A 88 12.100 -0.562 -10.761 1.00 0.00 N ATOM 1358 CA GLU A 88 13.090 0.377 -11.280 1.00 0.00 C ATOM 1359 C GLU A 88 12.636 0.939 -12.623 1.00 0.00 C ATOM 1360 O GLU A 88 12.876 2.107 -12.928 1.00 0.00 O ATOM 1361 CB GLU A 88 14.465 -0.279 -11.430 1.00 0.00 C ATOM 1362 CG GLU A 88 15.556 0.715 -11.801 1.00 0.00 C ATOM 1363 CD GLU A 88 16.896 0.065 -12.068 1.00 0.00 C ATOM 1364 OE1 GLU A 88 17.612 -0.263 -11.099 1.00 0.00 O ATOM 1365 OE2 GLU A 88 17.257 -0.087 -13.254 1.00 0.00 O ATOM 0 H GLU A 88 12.420 -1.528 -10.697 1.00 0.00 H new ATOM 0 HA GLU A 88 13.180 1.190 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.731 -0.771 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.411 -1.054 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.246 1.269 -12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.666 1.440 -10.994 1.00 0.00 H new ATOM 1372 N ALA A 89 11.969 0.104 -13.415 1.00 0.00 N ATOM 1373 CA ALA A 89 11.443 0.534 -14.702 1.00 0.00 C ATOM 1374 C ALA A 89 10.454 1.678 -14.519 1.00 0.00 C ATOM 1375 O ALA A 89 10.593 2.732 -15.135 1.00 0.00 O ATOM 1376 CB ALA A 89 10.785 -0.631 -15.423 1.00 0.00 C ATOM 0 H ALA A 89 11.781 -0.872 -13.186 1.00 0.00 H new ATOM 0 HA ALA A 89 12.272 0.892 -15.312 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.397 -0.292 -16.384 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.520 -1.420 -15.586 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.966 -1.018 -14.817 1.00 0.00 H new ATOM 1382 N LEU A 90 9.469 1.471 -13.648 1.00 0.00 N ATOM 1383 CA LEU A 90 8.482 2.505 -13.343 1.00 0.00 C ATOM 1384 C LEU A 90 9.161 3.730 -12.742 1.00 0.00 C ATOM 1385 O LEU A 90 8.809 4.867 -13.061 1.00 0.00 O ATOM 1386 CB LEU A 90 7.423 1.967 -12.375 1.00 0.00 C ATOM 1387 CG LEU A 90 6.505 0.887 -12.951 1.00 0.00 C ATOM 1388 CD1 LEU A 90 5.608 0.316 -11.866 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.666 1.454 -14.085 1.00 0.00 C ATOM 0 H LEU A 90 9.333 0.597 -13.141 1.00 0.00 H new ATOM 0 HA LEU A 90 7.993 2.795 -14.273 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.927 1.563 -11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.808 2.800 -12.034 1.00 0.00 H new ATOM 0 HG LEU A 90 7.126 0.083 -13.346 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.962 -0.451 -12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.222 -0.124 -11.080 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.995 1.113 -11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.018 0.673 -14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.055 2.276 -13.710 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.322 1.820 -14.875 1.00 0.00 H new ATOM 1401 N ARG A 91 10.149 3.484 -11.891 1.00 0.00 N ATOM 1402 CA ARG A 91 10.913 4.549 -11.256 1.00 0.00 C ATOM 1403 C ARG A 91 11.599 5.413 -12.310 1.00 0.00 C ATOM 1404 O ARG A 91 11.649 6.637 -12.188 1.00 0.00 O ATOM 1405 CB ARG A 91 11.948 3.944 -10.305 1.00 0.00 C ATOM 1406 CG ARG A 91 12.707 4.963 -9.476 1.00 0.00 C ATOM 1407 CD ARG A 91 13.718 4.285 -8.566 1.00 0.00 C ATOM 1408 NE ARG A 91 14.390 5.236 -7.685 1.00 0.00 N ATOM 1409 CZ ARG A 91 15.451 4.943 -6.937 1.00 0.00 C ATOM 1410 NH1 ARG A 91 15.991 3.730 -6.982 1.00 0.00 N ATOM 1411 NH2 ARG A 91 15.978 5.871 -6.153 1.00 0.00 N ATOM 0 H ARG A 91 10.442 2.545 -11.623 1.00 0.00 H new ATOM 0 HA ARG A 91 10.234 5.182 -10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.444 3.249 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.663 3.362 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.219 5.664 -10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.006 5.544 -8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.214 3.529 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.461 3.767 -9.173 1.00 0.00 H new ATOM 0 HE ARG A 91 14.022 6.186 -7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.592 3.017 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.804 3.512 -6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.571 6.806 -6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 91 16.791 5.651 -5.578 1.00 0.00 H new ATOM 1425 N GLY A 92 12.097 4.765 -13.357 1.00 0.00 N ATOM 1426 CA GLY A 92 12.750 5.474 -14.443 1.00 0.00 C ATOM 1427 C GLY A 92 11.775 6.296 -15.266 1.00 0.00 C ATOM 1428 O GLY A 92 12.162 7.267 -15.913 1.00 0.00 O ATOM 0 H GLY A 92 12.060 3.752 -13.474 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.519 6.129 -14.035 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.253 4.756 -15.091 1.00 0.00 H new ATOM 1432 N VAL A 93 10.504 5.911 -15.234 1.00 0.00 N ATOM 1433 CA VAL A 93 9.456 6.642 -15.942 1.00 0.00 C ATOM 1434 C VAL A 93 8.931 7.777 -15.052 1.00 0.00 C ATOM 1435 O VAL A 93 7.952 8.449 -15.378 1.00 0.00 O ATOM 1436 CB VAL A 93 8.298 5.693 -16.351 1.00 0.00 C ATOM 1437 CG1 VAL A 93 7.314 6.379 -17.288 1.00 0.00 C ATOM 1438 CG2 VAL A 93 8.846 4.436 -17.005 1.00 0.00 C ATOM 0 H VAL A 93 10.172 5.093 -14.723 1.00 0.00 H new ATOM 0 HA VAL A 93 9.878 7.066 -16.853 1.00 0.00 H new ATOM 0 HB VAL A 93 7.763 5.420 -15.441 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.518 5.683 -17.552 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.885 7.250 -16.792 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.833 6.696 -18.192 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.020 3.782 -17.285 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.413 4.707 -17.896 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.499 3.916 -16.304 1.00 0.00 H new ATOM 1448 N ASN A 94 9.617 7.976 -13.922 1.00 0.00 N ATOM 1449 CA ASN A 94 9.302 9.036 -12.957 1.00 0.00 C ATOM 1450 C ASN A 94 8.055 8.681 -12.148 1.00 0.00 C ATOM 1451 O ASN A 94 7.498 9.510 -11.435 1.00 0.00 O ATOM 1452 CB ASN A 94 9.131 10.393 -13.661 1.00 0.00 C ATOM 1453 CG ASN A 94 9.120 11.570 -12.700 1.00 0.00 C ATOM 1454 OD1 ASN A 94 8.430 12.564 -12.929 1.00 0.00 O ATOM 1455 ND2 ASN A 94 9.903 11.481 -11.633 1.00 0.00 N ATOM 0 H ASN A 94 10.414 7.401 -13.648 1.00 0.00 H new ATOM 0 HA ASN A 94 10.141 9.121 -12.267 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.940 10.527 -14.379 1.00 0.00 H new ATOM 0 HB3 ASN A 94 8.200 10.386 -14.227 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.948 12.253 -10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.460 10.641 -11.478 1.00 0.00 H new ATOM 1462 N VAL A 95 7.643 7.426 -12.239 1.00 0.00 N ATOM 1463 CA VAL A 95 6.487 6.950 -11.502 1.00 0.00 C ATOM 1464 C VAL A 95 6.932 6.270 -10.211 1.00 0.00 C ATOM 1465 O VAL A 95 7.587 5.227 -10.240 1.00 0.00 O ATOM 1466 CB VAL A 95 5.652 5.958 -12.341 1.00 0.00 C ATOM 1467 CG1 VAL A 95 4.436 5.478 -11.565 1.00 0.00 C ATOM 1468 CG2 VAL A 95 5.230 6.593 -13.659 1.00 0.00 C ATOM 0 H VAL A 95 8.095 6.718 -12.818 1.00 0.00 H new ATOM 0 HA VAL A 95 5.865 7.814 -11.269 1.00 0.00 H new ATOM 0 HB VAL A 95 6.277 5.092 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.865 4.781 -12.178 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.761 4.977 -10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.809 6.331 -11.307 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.643 5.878 -14.236 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.628 7.480 -13.459 1.00 0.00 H new ATOM 0 HG23 VAL A 95 6.116 6.876 -14.227 1.00 0.00 H new ATOM 1478 N VAL A 96 6.599 6.873 -9.080 1.00 0.00 N ATOM 1479 CA VAL A 96 6.948 6.302 -7.788 1.00 0.00 C ATOM 1480 C VAL A 96 6.010 5.149 -7.449 1.00 0.00 C ATOM 1481 O VAL A 96 4.858 5.361 -7.070 1.00 0.00 O ATOM 1482 CB VAL A 96 6.903 7.358 -6.662 1.00 0.00 C ATOM 1483 CG1 VAL A 96 7.294 6.741 -5.327 1.00 0.00 C ATOM 1484 CG2 VAL A 96 7.810 8.534 -6.994 1.00 0.00 C ATOM 0 H VAL A 96 6.089 7.755 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 96 7.971 5.932 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 96 5.880 7.725 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.255 7.503 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.601 5.936 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.306 6.341 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.765 9.267 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.835 8.182 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.481 8.996 -7.925 1.00 0.00 H new ATOM 1494 N LEU A 97 6.507 3.932 -7.607 1.00 0.00 N ATOM 1495 CA LEU A 97 5.716 2.738 -7.351 1.00 0.00 C ATOM 1496 C LEU A 97 5.614 2.466 -5.856 1.00 0.00 C ATOM 1497 O LEU A 97 6.626 2.359 -5.158 1.00 0.00 O ATOM 1498 CB LEU A 97 6.334 1.531 -8.063 1.00 0.00 C ATOM 1499 CG LEU A 97 5.630 0.193 -7.816 1.00 0.00 C ATOM 1500 CD1 LEU A 97 4.198 0.235 -8.327 1.00 0.00 C ATOM 1501 CD2 LEU A 97 6.398 -0.939 -8.475 1.00 0.00 C ATOM 0 H LEU A 97 7.462 3.745 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 97 4.711 2.905 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.340 1.727 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.374 1.439 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 97 5.602 0.014 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.717 -0.725 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.650 1.022 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.200 0.439 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.885 -1.883 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.457 -0.762 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.405 -0.986 -8.060 1.00 0.00 H new ATOM 1513 N ASP A 98 4.389 2.362 -5.367 1.00 0.00 N ATOM 1514 CA ASP A 98 4.153 2.067 -3.966 1.00 0.00 C ATOM 1515 C ASP A 98 3.038 1.035 -3.835 1.00 0.00 C ATOM 1516 O ASP A 98 1.900 1.283 -4.231 1.00 0.00 O ATOM 1517 CB ASP A 98 3.780 3.343 -3.210 1.00 0.00 C ATOM 1518 CG ASP A 98 4.236 3.315 -1.767 1.00 0.00 C ATOM 1519 OD1 ASP A 98 3.975 2.317 -1.069 1.00 0.00 O ATOM 1520 OD2 ASP A 98 4.863 4.302 -1.324 1.00 0.00 O ATOM 0 H ASP A 98 3.541 2.478 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 98 5.067 1.661 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.225 4.202 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.699 3.479 -3.244 1.00 0.00 H new ATOM 1525 N THR A 99 3.371 -0.127 -3.301 1.00 0.00 N ATOM 1526 CA THR A 99 2.402 -1.201 -3.161 1.00 0.00 C ATOM 1527 C THR A 99 1.900 -1.281 -1.723 1.00 0.00 C ATOM 1528 O THR A 99 2.679 -1.153 -0.777 1.00 0.00 O ATOM 1529 CB THR A 99 3.017 -2.551 -3.570 1.00 0.00 C ATOM 1530 OG1 THR A 99 3.765 -2.389 -4.783 1.00 0.00 O ATOM 1531 CG2 THR A 99 1.930 -3.595 -3.781 1.00 0.00 C ATOM 0 H THR A 99 4.305 -0.351 -2.957 1.00 0.00 H new ATOM 0 HA THR A 99 1.563 -0.984 -3.822 1.00 0.00 H new ATOM 0 HB THR A 99 3.676 -2.889 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.158 -3.249 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.386 -4.542 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.370 -3.729 -2.856 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.254 -3.263 -4.569 1.00 0.00 H new ATOM 1539 N MET A 100 0.601 -1.486 -1.564 1.00 0.00 N ATOM 1540 CA MET A 100 -0.012 -1.508 -0.245 1.00 0.00 C ATOM 1541 C MET A 100 -1.286 -2.346 -0.280 1.00 0.00 C ATOM 1542 O MET A 100 -1.848 -2.582 -1.347 1.00 0.00 O ATOM 1543 CB MET A 100 -0.324 -0.070 0.193 1.00 0.00 C ATOM 1544 CG MET A 100 -0.798 0.058 1.631 1.00 0.00 C ATOM 1545 SD MET A 100 -1.060 1.773 2.122 1.00 0.00 S ATOM 1546 CE MET A 100 0.582 2.449 1.886 1.00 0.00 C ATOM 0 H MET A 100 -0.050 -1.640 -2.334 1.00 0.00 H new ATOM 0 HA MET A 100 0.675 -1.956 0.473 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.570 0.539 0.062 1.00 0.00 H new ATOM 0 HB3 MET A 100 -1.088 0.340 -0.467 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.727 -0.498 1.755 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.063 -0.398 2.294 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.792 3.176 2.670 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.316 1.645 1.930 1.00 0.00 H new ATOM 0 HE3 MET A 100 0.638 2.938 0.913 1.00 0.00 H new ATOM 1556 N GLN A 101 -1.721 -2.824 0.877 1.00 0.00 N ATOM 1557 CA GLN A 101 -2.992 -3.530 0.977 1.00 0.00 C ATOM 1558 C GLN A 101 -4.135 -2.567 0.666 1.00 0.00 C ATOM 1559 O GLN A 101 -4.065 -1.392 1.018 1.00 0.00 O ATOM 1560 CB GLN A 101 -3.152 -4.125 2.377 1.00 0.00 C ATOM 1561 CG GLN A 101 -2.074 -5.140 2.725 1.00 0.00 C ATOM 1562 CD GLN A 101 -1.970 -5.386 4.216 1.00 0.00 C ATOM 1563 OE1 GLN A 101 -1.237 -4.689 4.913 1.00 0.00 O ATOM 1564 NE2 GLN A 101 -2.675 -6.388 4.714 1.00 0.00 N ATOM 0 H GLN A 101 -1.215 -2.737 1.758 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.013 -4.346 0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.134 -3.319 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.129 -4.602 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -2.288 -6.081 2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -1.113 -4.788 2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.273 -6.944 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.621 -6.604 5.709 1.00 0.00 H new ATOM 1573 N THR A 102 -5.180 -3.073 0.017 1.00 0.00 N ATOM 1574 CA THR A 102 -6.274 -2.239 -0.483 1.00 0.00 C ATOM 1575 C THR A 102 -6.878 -1.344 0.604 1.00 0.00 C ATOM 1576 O THR A 102 -7.171 -0.177 0.355 1.00 0.00 O ATOM 1577 CB THR A 102 -7.381 -3.114 -1.101 1.00 0.00 C ATOM 1578 OG1 THR A 102 -6.798 -4.032 -2.033 1.00 0.00 O ATOM 1579 CG2 THR A 102 -8.424 -2.262 -1.810 1.00 0.00 C ATOM 0 H THR A 102 -5.294 -4.068 -0.178 1.00 0.00 H new ATOM 0 HA THR A 102 -5.845 -1.589 -1.246 1.00 0.00 H new ATOM 0 HB THR A 102 -7.875 -3.661 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.382 -4.120 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.192 -2.907 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.881 -1.577 -1.096 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.947 -1.691 -2.607 1.00 0.00 H new ATOM 1587 N GLY A 103 -7.044 -1.890 1.806 1.00 0.00 N ATOM 1588 CA GLY A 103 -7.602 -1.119 2.909 1.00 0.00 C ATOM 1589 C GLY A 103 -6.813 0.151 3.194 1.00 0.00 C ATOM 1590 O GLY A 103 -7.318 1.259 2.985 1.00 0.00 O ATOM 0 H GLY A 103 -6.802 -2.853 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.634 -0.857 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.623 -1.738 3.806 1.00 0.00 H new ATOM 1594 N PRO A 104 -5.564 0.023 3.677 1.00 0.00 N ATOM 1595 CA PRO A 104 -4.683 1.171 3.912 1.00 0.00 C ATOM 1596 C PRO A 104 -4.432 1.989 2.643 1.00 0.00 C ATOM 1597 O PRO A 104 -4.141 3.183 2.717 1.00 0.00 O ATOM 1598 CB PRO A 104 -3.378 0.535 4.405 1.00 0.00 C ATOM 1599 CG PRO A 104 -3.772 -0.806 4.916 1.00 0.00 C ATOM 1600 CD PRO A 104 -4.925 -1.247 4.064 1.00 0.00 C ATOM 0 HA PRO A 104 -5.122 1.874 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.650 0.452 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.917 1.136 5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.943 -1.510 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.059 -0.755 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.590 -1.811 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.610 -1.891 4.616 1.00 0.00 H new ATOM 1608 N ALA A 105 -4.543 1.344 1.483 1.00 0.00 N ATOM 1609 CA ALA A 105 -4.369 2.029 0.206 1.00 0.00 C ATOM 1610 C ALA A 105 -5.478 3.052 -0.017 1.00 0.00 C ATOM 1611 O ALA A 105 -5.227 4.153 -0.499 1.00 0.00 O ATOM 1612 CB ALA A 105 -4.327 1.031 -0.941 1.00 0.00 C ATOM 0 H ALA A 105 -4.752 0.349 1.402 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.416 2.558 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.197 1.564 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.494 0.344 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.260 0.469 -0.969 1.00 0.00 H new ATOM 1618 N ILE A 106 -6.705 2.683 0.342 1.00 0.00 N ATOM 1619 CA ILE A 106 -7.827 3.612 0.279 1.00 0.00 C ATOM 1620 C ILE A 106 -7.570 4.788 1.213 1.00 0.00 C ATOM 1621 O ILE A 106 -7.805 5.946 0.863 1.00 0.00 O ATOM 1622 CB ILE A 106 -9.158 2.925 0.667 1.00 0.00 C ATOM 1623 CG1 ILE A 106 -9.482 1.796 -0.316 1.00 0.00 C ATOM 1624 CG2 ILE A 106 -10.297 3.938 0.709 1.00 0.00 C ATOM 1625 CD1 ILE A 106 -10.715 1.000 0.059 1.00 0.00 C ATOM 0 H ILE A 106 -6.946 1.751 0.678 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.915 3.963 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.045 2.497 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -9.622 2.220 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -8.628 1.121 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -11.223 3.433 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.071 4.709 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.412 4.397 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.883 0.218 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.571 0.546 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -11.580 1.662 0.090 1.00 0.00 H new ATOM 1637 N ARG A 107 -7.062 4.468 2.396 1.00 0.00 N ATOM 1638 CA ARG A 107 -6.706 5.473 3.391 1.00 0.00 C ATOM 1639 C ARG A 107 -5.681 6.462 2.831 1.00 0.00 C ATOM 1640 O ARG A 107 -5.915 7.670 2.826 1.00 0.00 O ATOM 1641 CB ARG A 107 -6.151 4.781 4.640 1.00 0.00 C ATOM 1642 CG ARG A 107 -5.584 5.724 5.692 1.00 0.00 C ATOM 1643 CD ARG A 107 -6.650 6.630 6.287 1.00 0.00 C ATOM 1644 NE ARG A 107 -6.127 7.401 7.414 1.00 0.00 N ATOM 1645 CZ ARG A 107 -6.619 8.571 7.820 1.00 0.00 C ATOM 1646 NH1 ARG A 107 -7.648 9.123 7.188 1.00 0.00 N ATOM 1647 NH2 ARG A 107 -6.071 9.188 8.858 1.00 0.00 N ATOM 0 H ARG A 107 -6.885 3.508 2.693 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.602 6.035 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.946 4.188 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.369 4.086 4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.120 5.141 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.799 6.334 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.021 7.310 5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.497 6.029 6.617 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.331 7.017 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.067 8.651 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.020 10.019 7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.277 8.767 9.341 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.443 10.084 9.173 1.00 0.00 H new ATOM 1661 N THR A 108 -4.562 5.941 2.344 1.00 0.00 N ATOM 1662 CA THR A 108 -3.474 6.778 1.854 1.00 0.00 C ATOM 1663 C THR A 108 -3.875 7.550 0.598 1.00 0.00 C ATOM 1664 O THR A 108 -3.571 8.737 0.473 1.00 0.00 O ATOM 1665 CB THR A 108 -2.211 5.940 1.577 1.00 0.00 C ATOM 1666 OG1 THR A 108 -2.565 4.728 0.900 1.00 0.00 O ATOM 1667 CG2 THR A 108 -1.486 5.612 2.873 1.00 0.00 C ATOM 0 H THR A 108 -4.384 4.939 2.278 1.00 0.00 H new ATOM 0 HA THR A 108 -3.251 7.501 2.639 1.00 0.00 H new ATOM 0 HB THR A 108 -1.544 6.525 0.944 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.096 3.973 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 108 -0.598 5.020 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 108 -1.192 6.537 3.370 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.148 5.044 3.527 1.00 0.00 H new ATOM 1675 N TYR A 109 -4.574 6.882 -0.317 1.00 0.00 N ATOM 1676 CA TYR A 109 -5.046 7.526 -1.539 1.00 0.00 C ATOM 1677 C TYR A 109 -5.963 8.699 -1.210 1.00 0.00 C ATOM 1678 O TYR A 109 -5.844 9.774 -1.796 1.00 0.00 O ATOM 1679 CB TYR A 109 -5.777 6.517 -2.431 1.00 0.00 C ATOM 1680 CG TYR A 109 -6.420 7.130 -3.657 1.00 0.00 C ATOM 1681 CD1 TYR A 109 -5.645 7.677 -4.675 1.00 0.00 C ATOM 1682 CD2 TYR A 109 -7.802 7.159 -3.799 1.00 0.00 C ATOM 1683 CE1 TYR A 109 -6.230 8.234 -5.796 1.00 0.00 C ATOM 1684 CE2 TYR A 109 -8.394 7.713 -4.917 1.00 0.00 C ATOM 1685 CZ TYR A 109 -7.604 8.250 -5.912 1.00 0.00 C ATOM 1686 OH TYR A 109 -8.192 8.802 -7.027 1.00 0.00 O ATOM 0 H TYR A 109 -4.825 5.897 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.179 7.905 -2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.070 5.750 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.546 6.017 -1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -4.569 7.666 -4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -8.424 6.741 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.614 8.655 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -9.470 7.726 -5.012 1.00 0.00 H new ATOM 0 HH TYR A 109 -9.167 8.731 -6.952 1.00 0.00 H new ATOM 1696 N ASN A 110 -6.862 8.488 -0.254 1.00 0.00 N ATOM 1697 CA ASN A 110 -7.809 9.520 0.154 1.00 0.00 C ATOM 1698 C ASN A 110 -7.071 10.740 0.703 1.00 0.00 C ATOM 1699 O ASN A 110 -7.466 11.877 0.458 1.00 0.00 O ATOM 1700 CB ASN A 110 -8.771 8.966 1.209 1.00 0.00 C ATOM 1701 CG ASN A 110 -9.909 9.917 1.543 1.00 0.00 C ATOM 1702 OD1 ASN A 110 -10.381 9.956 2.681 1.00 0.00 O ATOM 1703 ND2 ASN A 110 -10.377 10.670 0.559 1.00 0.00 N ATOM 0 H ASN A 110 -6.955 7.609 0.254 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.382 9.828 -0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.187 8.024 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.213 8.744 2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.153 11.309 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.961 10.611 -0.370 1.00 0.00 H new ATOM 1710 N ILE A 111 -5.987 10.495 1.426 1.00 0.00 N ATOM 1711 CA ILE A 111 -5.175 11.572 1.983 1.00 0.00 C ATOM 1712 C ILE A 111 -4.385 12.281 0.880 1.00 0.00 C ATOM 1713 O ILE A 111 -4.277 13.511 0.864 1.00 0.00 O ATOM 1714 CB ILE A 111 -4.197 11.041 3.054 1.00 0.00 C ATOM 1715 CG1 ILE A 111 -4.970 10.340 4.175 1.00 0.00 C ATOM 1716 CG2 ILE A 111 -3.353 12.176 3.622 1.00 0.00 C ATOM 1717 CD1 ILE A 111 -4.081 9.662 5.196 1.00 0.00 C ATOM 0 H ILE A 111 -5.647 9.558 1.642 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.856 12.282 2.452 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.529 10.320 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.599 11.071 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.636 9.597 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.671 11.781 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.779 12.639 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.005 12.921 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.699 9.188 5.958 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.470 8.906 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.433 10.403 5.664 1.00 0.00 H new ATOM 1729 N MET A 112 -3.863 11.501 -0.061 1.00 0.00 N ATOM 1730 CA MET A 112 -3.047 12.046 -1.144 1.00 0.00 C ATOM 1731 C MET A 112 -3.875 12.852 -2.142 1.00 0.00 C ATOM 1732 O MET A 112 -3.326 13.437 -3.073 1.00 0.00 O ATOM 1733 CB MET A 112 -2.298 10.937 -1.883 1.00 0.00 C ATOM 1734 CG MET A 112 -1.111 10.380 -1.117 1.00 0.00 C ATOM 1735 SD MET A 112 -0.106 9.272 -2.122 1.00 0.00 S ATOM 1736 CE MET A 112 1.201 8.864 -0.970 1.00 0.00 C ATOM 0 H MET A 112 -3.990 10.490 -0.097 1.00 0.00 H new ATOM 0 HA MET A 112 -2.327 12.718 -0.677 1.00 0.00 H new ATOM 0 HB2 MET A 112 -2.992 10.125 -2.099 1.00 0.00 H new ATOM 0 HB3 MET A 112 -1.951 11.323 -2.841 1.00 0.00 H new ATOM 0 HG2 MET A 112 -0.493 11.204 -0.760 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.468 9.845 -0.237 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.794 8.041 -1.369 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.841 9.734 -0.823 1.00 0.00 H new ATOM 0 HE3 MET A 112 0.766 8.568 -0.015 1.00 0.00 H new ATOM 1746 N ILE A 113 -5.187 12.883 -1.961 1.00 0.00 N ATOM 1747 CA ILE A 113 -6.039 13.700 -2.813 1.00 0.00 C ATOM 1748 C ILE A 113 -5.767 15.180 -2.558 1.00 0.00 C ATOM 1749 O ILE A 113 -5.411 15.923 -3.475 1.00 0.00 O ATOM 1750 CB ILE A 113 -7.538 13.397 -2.593 1.00 0.00 C ATOM 1751 CG1 ILE A 113 -7.836 11.929 -2.909 1.00 0.00 C ATOM 1752 CG2 ILE A 113 -8.409 14.313 -3.447 1.00 0.00 C ATOM 1753 CD1 ILE A 113 -7.426 11.512 -4.306 1.00 0.00 C ATOM 0 H ILE A 113 -5.681 12.358 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.800 13.454 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.774 13.584 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.320 11.299 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -8.904 11.749 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -9.460 14.080 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -8.218 15.352 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -8.172 14.162 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.668 10.460 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.962 12.117 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.353 11.659 -4.429 1.00 0.00 H new ATOM 1765 N GLY A 114 -5.901 15.591 -1.302 1.00 0.00 N ATOM 1766 CA GLY A 114 -5.659 16.975 -0.939 1.00 0.00 C ATOM 1767 C GLY A 114 -4.181 17.311 -0.853 1.00 0.00 C ATOM 1768 O GLY A 114 -3.807 18.481 -0.772 1.00 0.00 O ATOM 0 H GLY A 114 -6.174 14.988 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.133 17.627 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.130 17.182 0.022 1.00 0.00 H new ATOM 1772 N GLU A 115 -3.336 16.289 -0.860 1.00 0.00 N ATOM 1773 CA GLU A 115 -1.893 16.496 -0.806 1.00 0.00 C ATOM 1774 C GLU A 115 -1.281 16.522 -2.203 1.00 0.00 C ATOM 1775 O GLU A 115 -0.629 17.492 -2.588 1.00 0.00 O ATOM 1776 CB GLU A 115 -1.215 15.395 0.014 1.00 0.00 C ATOM 1777 CG GLU A 115 0.303 15.503 0.012 1.00 0.00 C ATOM 1778 CD GLU A 115 0.986 14.328 0.676 1.00 0.00 C ATOM 1779 OE1 GLU A 115 1.219 13.308 -0.004 1.00 0.00 O ATOM 1780 OE2 GLU A 115 1.311 14.425 1.878 1.00 0.00 O ATOM 0 H GLU A 115 -3.622 15.311 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.727 17.462 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.576 15.440 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -1.505 14.422 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.653 15.584 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.596 16.421 0.522 1.00 0.00 H new ATOM 1787 N ARG A 116 -1.502 15.454 -2.954 1.00 0.00 N ATOM 1788 CA ARG A 116 -0.817 15.245 -4.221 1.00 0.00 C ATOM 1789 C ARG A 116 -1.728 15.591 -5.395 1.00 0.00 C ATOM 1790 O ARG A 116 -1.458 16.525 -6.146 1.00 0.00 O ATOM 1791 CB ARG A 116 -0.379 13.779 -4.322 1.00 0.00 C ATOM 1792 CG ARG A 116 0.804 13.525 -5.247 1.00 0.00 C ATOM 1793 CD ARG A 116 2.111 13.987 -4.621 1.00 0.00 C ATOM 1794 NE ARG A 116 2.248 13.511 -3.243 1.00 0.00 N ATOM 1795 CZ ARG A 116 3.202 12.681 -2.815 1.00 0.00 C ATOM 1796 NH1 ARG A 116 4.100 12.177 -3.662 1.00 0.00 N ATOM 1797 NH2 ARG A 116 3.238 12.344 -1.534 1.00 0.00 N ATOM 0 H ARG A 116 -2.156 14.712 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 116 0.055 15.898 -4.260 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -0.125 13.422 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -1.225 13.185 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.866 12.461 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 116 0.647 14.047 -6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 116 2.948 13.624 -5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 116 2.157 15.076 -4.636 1.00 0.00 H new ATOM 0 HE ARG A 116 1.564 13.838 -2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.063 12.425 -4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.823 11.544 -3.321 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.542 12.718 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.961 11.711 -1.193 1.00 0.00 H new ATOM 1811 N ARG A 117 -2.820 14.830 -5.525 1.00 0.00 N ATOM 1812 CA ARG A 117 -3.721 14.907 -6.685 1.00 0.00 C ATOM 1813 C ARG A 117 -2.965 14.527 -7.963 1.00 0.00 C ATOM 1814 O ARG A 117 -3.387 14.826 -9.078 1.00 0.00 O ATOM 1815 CB ARG A 117 -4.352 16.300 -6.821 1.00 0.00 C ATOM 1816 CG ARG A 117 -5.559 16.328 -7.752 1.00 0.00 C ATOM 1817 CD ARG A 117 -6.098 17.735 -7.950 1.00 0.00 C ATOM 1818 NE ARG A 117 -5.136 18.611 -8.622 1.00 0.00 N ATOM 1819 CZ ARG A 117 -5.419 19.332 -9.708 1.00 0.00 C ATOM 1820 NH1 ARG A 117 -6.599 19.206 -10.309 1.00 0.00 N ATOM 1821 NH2 ARG A 117 -4.513 20.163 -10.209 1.00 0.00 N ATOM 0 H ARG A 117 -3.106 14.142 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.533 14.197 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.655 16.652 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.600 16.997 -7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.280 15.908 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -6.346 15.693 -7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -7.016 17.691 -8.536 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.359 18.161 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.194 18.674 -8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -7.293 18.556 -9.940 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -6.810 19.760 -11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -3.600 20.251 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.730 20.714 -11.039 1.00 0.00 H new ATOM 1835 N ARG A 118 -1.841 13.859 -7.774 1.00 0.00 N ATOM 1836 CA ARG A 118 -1.031 13.360 -8.872 1.00 0.00 C ATOM 1837 C ARG A 118 -0.661 11.915 -8.553 1.00 0.00 C ATOM 1838 O ARG A 118 0.437 11.437 -8.830 1.00 0.00 O ATOM 1839 CB ARG A 118 0.212 14.245 -9.049 1.00 0.00 C ATOM 1840 CG ARG A 118 1.073 13.889 -10.252 1.00 0.00 C ATOM 1841 CD ARG A 118 2.236 14.856 -10.417 1.00 0.00 C ATOM 1842 NE ARG A 118 3.302 14.290 -11.246 1.00 0.00 N ATOM 1843 CZ ARG A 118 3.483 14.563 -12.535 1.00 0.00 C ATOM 1844 NH1 ARG A 118 2.680 15.408 -13.168 1.00 0.00 N ATOM 1845 NH2 ARG A 118 4.485 13.998 -13.190 1.00 0.00 N ATOM 0 H ARG A 118 -1.462 13.646 -6.851 1.00 0.00 H new ATOM 0 HA ARG A 118 -1.579 13.391 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.107 15.283 -9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 118 0.822 14.177 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 118 1.456 12.875 -10.138 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.461 13.899 -11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 118 1.878 15.781 -10.868 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.636 15.113 -9.436 1.00 0.00 H new ATOM 0 HE ARG A 118 3.952 13.640 -10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.914 15.856 -12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.829 15.609 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.114 13.357 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 118 4.628 14.204 -14.179 1.00 0.00 H new ATOM 1859 N VAL A 119 -1.613 11.226 -7.952 1.00 0.00 N ATOM 1860 CA VAL A 119 -1.421 9.855 -7.529 1.00 0.00 C ATOM 1861 C VAL A 119 -2.422 8.941 -8.226 1.00 0.00 C ATOM 1862 O VAL A 119 -3.617 9.227 -8.266 1.00 0.00 O ATOM 1863 CB VAL A 119 -1.548 9.723 -5.990 1.00 0.00 C ATOM 1864 CG1 VAL A 119 -2.864 10.308 -5.496 1.00 0.00 C ATOM 1865 CG2 VAL A 119 -1.412 8.272 -5.555 1.00 0.00 C ATOM 0 H VAL A 119 -2.538 11.602 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.413 9.551 -7.811 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.734 10.292 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.926 10.201 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.915 11.364 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.695 9.778 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.505 8.207 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.196 7.677 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.437 7.891 -5.859 1.00 0.00 H new ATOM 1875 N ALA A 120 -1.921 7.863 -8.802 1.00 0.00 N ATOM 1876 CA ALA A 120 -2.766 6.882 -9.454 1.00 0.00 C ATOM 1877 C ALA A 120 -2.909 5.662 -8.562 1.00 0.00 C ATOM 1878 O ALA A 120 -1.914 5.098 -8.109 1.00 0.00 O ATOM 1879 CB ALA A 120 -2.193 6.494 -10.807 1.00 0.00 C ATOM 0 H ALA A 120 -0.925 7.645 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.751 7.317 -9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.842 5.757 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.126 7.378 -11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.199 6.068 -10.672 1.00 0.00 H new ATOM 1885 N ALA A 121 -4.140 5.270 -8.296 1.00 0.00 N ATOM 1886 CA ALA A 121 -4.396 4.158 -7.400 1.00 0.00 C ATOM 1887 C ALA A 121 -5.001 2.977 -8.141 1.00 0.00 C ATOM 1888 O ALA A 121 -6.146 3.024 -8.584 1.00 0.00 O ATOM 1889 CB ALA A 121 -5.311 4.591 -6.265 1.00 0.00 C ATOM 0 H ALA A 121 -4.977 5.703 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.440 3.840 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.493 3.745 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.838 5.397 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.258 4.941 -6.675 1.00 0.00 H new ATOM 1895 N ALA A 122 -4.216 1.925 -8.281 1.00 0.00 N ATOM 1896 CA ALA A 122 -4.719 0.683 -8.837 1.00 0.00 C ATOM 1897 C ALA A 122 -5.269 -0.167 -7.706 1.00 0.00 C ATOM 1898 O ALA A 122 -4.526 -0.860 -7.017 1.00 0.00 O ATOM 1899 CB ALA A 122 -3.621 -0.059 -9.588 1.00 0.00 C ATOM 0 H ALA A 122 -3.231 1.906 -8.018 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.513 0.898 -9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.022 -0.987 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.251 0.565 -10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.803 -0.287 -8.905 1.00 0.00 H new ATOM 1905 N LEU A 123 -6.571 -0.076 -7.495 1.00 0.00 N ATOM 1906 CA LEU A 123 -7.188 -0.713 -6.345 1.00 0.00 C ATOM 1907 C LEU A 123 -7.964 -1.952 -6.754 1.00 0.00 C ATOM 1908 O LEU A 123 -8.912 -1.883 -7.539 1.00 0.00 O ATOM 1909 CB LEU A 123 -8.105 0.271 -5.612 1.00 0.00 C ATOM 1910 CG LEU A 123 -7.398 1.487 -5.007 1.00 0.00 C ATOM 1911 CD1 LEU A 123 -8.391 2.370 -4.269 1.00 0.00 C ATOM 1912 CD2 LEU A 123 -6.282 1.050 -4.070 1.00 0.00 C ATOM 0 H LEU A 123 -7.217 0.429 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.392 -1.021 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.867 0.622 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.623 -0.263 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.958 2.064 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -7.870 3.229 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.156 2.716 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -8.860 1.799 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.793 1.930 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.699 0.448 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.553 0.459 -4.624 1.00 0.00 H new ATOM 1924 N ILE A 124 -7.528 -3.086 -6.230 1.00 0.00 N ATOM 1925 CA ILE A 124 -8.216 -4.342 -6.438 1.00 0.00 C ATOM 1926 C ILE A 124 -8.972 -4.724 -5.171 1.00 0.00 C ATOM 1927 O ILE A 124 -8.382 -4.786 -4.088 1.00 0.00 O ATOM 1928 CB ILE A 124 -7.224 -5.472 -6.799 1.00 0.00 C ATOM 1929 CG1 ILE A 124 -6.392 -5.080 -8.024 1.00 0.00 C ATOM 1930 CG2 ILE A 124 -7.967 -6.776 -7.052 1.00 0.00 C ATOM 1931 CD1 ILE A 124 -5.314 -6.086 -8.374 1.00 0.00 C ATOM 0 H ILE A 124 -6.691 -3.158 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 124 -8.911 -4.215 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 124 -6.549 -5.621 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.056 -4.959 -8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -5.927 -4.111 -7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -7.252 -7.559 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -8.516 -7.062 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -8.666 -6.642 -7.878 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -4.766 -5.742 -9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.627 -6.190 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.773 -7.051 -8.589 1.00 0.00 H new ATOM 1943 N ALA A 125 -10.276 -4.936 -5.300 1.00 0.00 N ATOM 1944 CA ALA A 125 -11.090 -5.387 -4.182 1.00 0.00 C ATOM 1945 C ALA A 125 -10.554 -6.705 -3.639 1.00 0.00 C ATOM 1946 O ALA A 125 -10.127 -7.569 -4.406 1.00 0.00 O ATOM 1947 CB ALA A 125 -12.543 -5.538 -4.609 1.00 0.00 C ATOM 0 H ALA A 125 -10.792 -4.802 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.041 -4.639 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -13.138 -5.876 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -12.921 -4.577 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -12.611 -6.269 -5.415 1.00 0.00 H new ATOM 1953 N VAL A 126 -10.571 -6.852 -2.322 1.00 0.00 N ATOM 1954 CA VAL A 126 -10.012 -8.030 -1.683 1.00 0.00 C ATOM 1955 C VAL A 126 -10.780 -9.288 -2.075 1.00 0.00 C ATOM 1956 O VAL A 126 -12.002 -9.364 -1.907 1.00 0.00 O ATOM 1957 CB VAL A 126 -9.960 -7.886 -0.142 1.00 0.00 C ATOM 1958 CG1 VAL A 126 -9.077 -6.716 0.252 1.00 0.00 C ATOM 1959 CG2 VAL A 126 -11.351 -7.718 0.456 1.00 0.00 C ATOM 0 H VAL A 126 -10.967 -6.169 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 126 -8.987 -8.125 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 126 -9.534 -8.806 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -9.052 -6.629 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -8.067 -6.880 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -9.478 -5.797 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -11.272 -7.620 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -11.819 -6.824 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -11.959 -8.590 0.214 1.00 0.00 H new ATOM 1969 N PRO A 127 -10.077 -10.278 -2.643 1.00 0.00 N ATOM 1970 CA PRO A 127 -10.680 -11.552 -3.024 1.00 0.00 C ATOM 1971 C PRO A 127 -11.239 -12.281 -1.810 1.00 0.00 C ATOM 1972 O PRO A 127 -10.481 -12.763 -0.961 1.00 0.00 O ATOM 1973 CB PRO A 127 -9.522 -12.343 -3.645 1.00 0.00 C ATOM 1974 CG PRO A 127 -8.496 -11.320 -3.994 1.00 0.00 C ATOM 1975 CD PRO A 127 -8.646 -10.224 -2.980 1.00 0.00 C ATOM 0 HA PRO A 127 -11.519 -11.424 -3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -9.125 -13.076 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -9.848 -12.891 -4.529 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -7.493 -11.746 -3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -8.650 -10.941 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -8.019 -10.395 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -8.364 -9.254 -3.390 1.00 0.00 H new ATOM 1983 N LEU A 128 -12.563 -12.318 -1.718 1.00 0.00 N ATOM 1984 CA LEU A 128 -13.242 -12.970 -0.605 1.00 0.00 C ATOM 1985 C LEU A 128 -12.834 -14.435 -0.530 1.00 0.00 C ATOM 1986 O LEU A 128 -12.158 -14.843 0.415 1.00 0.00 O ATOM 1987 CB LEU A 128 -14.760 -12.851 -0.765 1.00 0.00 C ATOM 1988 CG LEU A 128 -15.579 -13.311 0.444 1.00 0.00 C ATOM 1989 CD1 LEU A 128 -15.355 -12.379 1.626 1.00 0.00 C ATOM 1990 CD2 LEU A 128 -17.053 -13.380 0.091 1.00 0.00 C ATOM 0 H LEU A 128 -13.191 -11.901 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 128 -12.950 -12.475 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -15.007 -11.811 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -15.065 -13.434 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 128 -15.246 -14.310 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -15.945 -12.721 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -14.298 -12.379 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -15.661 -11.368 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -17.621 -13.709 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -17.400 -12.394 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -17.199 -14.087 -0.725 1.00 0.00 H new ATOM 2002 N GLU A 129 -13.242 -15.206 -1.540 1.00 0.00 N ATOM 2003 CA GLU A 129 -12.839 -16.605 -1.679 1.00 0.00 C ATOM 2004 C GLU A 129 -13.395 -17.446 -0.522 1.00 0.00 C ATOM 2005 O GLU A 129 -14.476 -18.024 -0.632 1.00 0.00 O ATOM 2006 CB GLU A 129 -11.308 -16.693 -1.755 1.00 0.00 C ATOM 2007 CG GLU A 129 -10.778 -17.734 -2.727 1.00 0.00 C ATOM 2008 CD GLU A 129 -11.008 -19.146 -2.253 1.00 0.00 C ATOM 2009 OE1 GLU A 129 -10.326 -19.574 -1.296 1.00 0.00 O ATOM 2010 OE2 GLU A 129 -11.861 -19.839 -2.836 1.00 0.00 O ATOM 0 H GLU A 129 -13.860 -14.878 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.254 -17.010 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -10.916 -15.717 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -10.921 -16.914 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -11.259 -17.598 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -9.710 -17.575 -2.876 1.00 0.00 H new ATOM 2017 N HIS A 130 -12.672 -17.482 0.588 1.00 0.00 N ATOM 2018 CA HIS A 130 -13.120 -18.179 1.787 1.00 0.00 C ATOM 2019 C HIS A 130 -12.838 -17.324 3.014 1.00 0.00 C ATOM 2020 O HIS A 130 -11.707 -17.264 3.493 1.00 0.00 O ATOM 2021 CB HIS A 130 -12.429 -19.541 1.932 1.00 0.00 C ATOM 2022 CG HIS A 130 -12.966 -20.601 1.018 1.00 0.00 C ATOM 2023 ND1 HIS A 130 -12.361 -20.957 -0.166 1.00 0.00 N ATOM 2024 CD2 HIS A 130 -14.054 -21.400 1.135 1.00 0.00 C ATOM 2025 CE1 HIS A 130 -13.050 -21.927 -0.737 1.00 0.00 C ATOM 2026 NE2 HIS A 130 -14.080 -22.213 0.032 1.00 0.00 N ATOM 0 H HIS A 130 -11.762 -17.031 0.684 1.00 0.00 H new ATOM 0 HA HIS A 130 -14.192 -18.352 1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -11.363 -19.418 1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -12.531 -19.880 2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -11.512 -20.536 -0.543 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -14.767 -21.397 1.946 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -12.810 -22.405 -1.675 1.00 0.00 H new ATOM 2035 N HIS A 131 -13.860 -16.639 3.507 1.00 0.00 N ATOM 2036 CA HIS A 131 -13.691 -15.754 4.653 1.00 0.00 C ATOM 2037 C HIS A 131 -14.264 -16.378 5.921 1.00 0.00 C ATOM 2038 O HIS A 131 -13.609 -16.385 6.959 1.00 0.00 O ATOM 2039 CB HIS A 131 -14.348 -14.395 4.388 1.00 0.00 C ATOM 2040 CG HIS A 131 -14.162 -13.401 5.497 1.00 0.00 C ATOM 2041 ND1 HIS A 131 -13.069 -12.564 5.589 1.00 0.00 N ATOM 2042 CD2 HIS A 131 -14.942 -13.113 6.567 1.00 0.00 C ATOM 2043 CE1 HIS A 131 -13.186 -11.808 6.666 1.00 0.00 C ATOM 2044 NE2 HIS A 131 -14.312 -12.120 7.272 1.00 0.00 N ATOM 0 H HIS A 131 -14.809 -16.677 3.135 1.00 0.00 H new ATOM 0 HA HIS A 131 -12.622 -15.604 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -13.939 -13.978 3.468 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -15.415 -14.545 4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -15.884 -13.579 6.818 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -12.478 -11.061 6.994 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -14.660 -11.691 8.129 1.00 0.00 H new ATOM 2053 N HIS A 132 -15.481 -16.907 5.833 1.00 0.00 N ATOM 2054 CA HIS A 132 -16.152 -17.464 7.010 1.00 0.00 C ATOM 2055 C HIS A 132 -15.578 -18.830 7.400 1.00 0.00 C ATOM 2056 O HIS A 132 -16.098 -19.495 8.297 1.00 0.00 O ATOM 2057 CB HIS A 132 -17.675 -17.555 6.801 1.00 0.00 C ATOM 2058 CG HIS A 132 -18.130 -18.601 5.823 1.00 0.00 C ATOM 2059 ND1 HIS A 132 -18.686 -19.804 6.211 1.00 0.00 N ATOM 2060 CD2 HIS A 132 -18.140 -18.608 4.469 1.00 0.00 C ATOM 2061 CE1 HIS A 132 -19.016 -20.498 5.139 1.00 0.00 C ATOM 2062 NE2 HIS A 132 -18.698 -19.798 4.069 1.00 0.00 N ATOM 0 H HIS A 132 -16.021 -16.963 4.969 1.00 0.00 H new ATOM 0 HA HIS A 132 -15.964 -16.777 7.835 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -18.146 -17.753 7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -18.037 -16.584 6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -17.776 -17.823 3.823 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -19.471 -21.477 5.138 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -18.842 -20.091 3.103 1.00 0.00 H new ATOM 2071 N HIS A 133 -14.512 -19.243 6.728 1.00 0.00 N ATOM 2072 CA HIS A 133 -13.798 -20.459 7.088 1.00 0.00 C ATOM 2073 C HIS A 133 -12.431 -20.471 6.422 1.00 0.00 C ATOM 2074 O HIS A 133 -12.317 -20.201 5.229 1.00 0.00 O ATOM 2075 CB HIS A 133 -14.586 -21.709 6.685 1.00 0.00 C ATOM 2076 CG HIS A 133 -14.067 -22.967 7.316 1.00 0.00 C ATOM 2077 ND1 HIS A 133 -14.615 -23.509 8.452 1.00 0.00 N ATOM 2078 CD2 HIS A 133 -13.036 -23.777 6.976 1.00 0.00 C ATOM 2079 CE1 HIS A 133 -13.948 -24.596 8.787 1.00 0.00 C ATOM 2080 NE2 HIS A 133 -12.979 -24.784 7.909 1.00 0.00 N ATOM 0 H HIS A 133 -14.121 -18.750 5.925 1.00 0.00 H new ATOM 0 HA HIS A 133 -13.677 -20.472 8.171 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -15.632 -21.576 6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -14.555 -21.815 5.601 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -12.379 -23.654 6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -14.159 -25.227 9.637 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -12.303 -25.548 7.922 1.00 0.00 H new ATOM 2089 N HIS A 134 -11.400 -20.764 7.200 1.00 0.00 N ATOM 2090 CA HIS A 134 -10.044 -20.844 6.674 1.00 0.00 C ATOM 2091 C HIS A 134 -9.464 -22.232 6.915 1.00 0.00 C ATOM 2092 O HIS A 134 -9.037 -22.910 5.980 1.00 0.00 O ATOM 2093 CB HIS A 134 -9.147 -19.783 7.322 1.00 0.00 C ATOM 2094 CG HIS A 134 -9.617 -18.377 7.109 1.00 0.00 C ATOM 2095 ND1 HIS A 134 -9.965 -17.534 8.143 1.00 0.00 N ATOM 2096 CD2 HIS A 134 -9.790 -17.664 5.972 1.00 0.00 C ATOM 2097 CE1 HIS A 134 -10.334 -16.368 7.649 1.00 0.00 C ATOM 2098 NE2 HIS A 134 -10.237 -16.421 6.336 1.00 0.00 N ATOM 0 H HIS A 134 -11.476 -20.951 8.200 1.00 0.00 H new ATOM 0 HA HIS A 134 -10.084 -20.657 5.601 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -9.087 -19.977 8.393 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -8.137 -19.882 6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -9.609 -18.010 4.965 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -10.661 -15.514 8.224 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -10.459 -15.660 5.694 1.00 0.00 H new ATOM 2107 N HIS A 135 -9.461 -22.653 8.172 1.00 0.00 N ATOM 2108 CA HIS A 135 -8.933 -23.962 8.545 1.00 0.00 C ATOM 2109 C HIS A 135 -9.869 -24.640 9.531 1.00 0.00 C ATOM 2110 O HIS A 135 -10.698 -25.464 9.097 1.00 0.00 O ATOM 2111 CB HIS A 135 -7.536 -23.841 9.164 1.00 0.00 C ATOM 2112 CG HIS A 135 -6.472 -23.417 8.201 1.00 0.00 C ATOM 2113 ND1 HIS A 135 -5.860 -22.184 8.250 1.00 0.00 N ATOM 2114 CD2 HIS A 135 -5.894 -24.079 7.173 1.00 0.00 C ATOM 2115 CE1 HIS A 135 -4.957 -22.106 7.292 1.00 0.00 C ATOM 2116 NE2 HIS A 135 -4.955 -23.242 6.623 1.00 0.00 N ATOM 2117 OXT HIS A 135 -9.784 -24.326 10.737 1.00 0.00 O ATOM 0 H HIS A 135 -9.819 -22.106 8.955 1.00 0.00 H new ATOM 0 HA HIS A 135 -8.858 -24.563 7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -7.575 -23.123 9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.258 -24.803 9.595 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -6.128 -25.081 6.845 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -4.325 -21.254 7.089 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -4.355 -23.463 5.828 1.00 0.00 H new TER 2126 HIS A 135