USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 MET CE :methyl 145:sc= -0.816 (180deg=-1.63) USER MOD Set 1.2: A 81 MET CE :methyl 147:sc= -0.157 (180deg=-1.01) USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.0256 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 6 GLN : amide:sc= -4.37! C(o=-4.4!,f=-8.2!) USER MOD Single : A 7 GLN : amide:sc= 0.0406 K(o=0.041,f=-4.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -160:sc= -0.0232 (180deg=-0.521) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 160:sc=-0.000425 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -129:sc= -0.357 (180deg=-1.22) USER MOD Single : A 51 GLN : amide:sc= -0.0747 K(o=-0.075,f=-1.8!) USER MOD Single : A 52 ASN : amide:sc= -2.46 X(o=-2.5,f=-2.8) USER MOD Single : A 54 THR OG1 : rot -65:sc= 0.309 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 170:sc= -1.2 (180deg=-1.49!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -22.607 6.915 7.255 1.00 0.00 N ATOM 2 CA ALA A 1 -21.245 6.781 6.697 1.00 0.00 C ATOM 3 C ALA A 1 -20.652 5.399 7.083 1.00 0.00 C ATOM 4 O ALA A 1 -20.903 4.887 8.180 1.00 0.00 O ATOM 5 CB ALA A 1 -20.361 7.942 7.188 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.703 7.842 7.717 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.305 6.836 6.489 1.00 0.00 H new ATOM 0 H3 ALA A 1 -22.772 6.161 7.953 1.00 0.00 H new ATOM 0 HA ALA A 1 -21.285 6.833 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.359 7.837 6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.791 8.889 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.307 7.923 8.276 1.00 0.00 H new ATOM 13 N SER A 2 -19.855 4.815 6.169 1.00 0.00 N ATOM 14 CA SER A 2 -19.198 3.499 6.386 1.00 0.00 C ATOM 15 C SER A 2 -17.977 3.357 5.436 1.00 0.00 C ATOM 16 O SER A 2 -17.989 2.533 4.514 1.00 0.00 O ATOM 17 CB SER A 2 -20.234 2.368 6.187 1.00 0.00 C ATOM 18 OG SER A 2 -21.332 2.803 5.392 1.00 0.00 O ATOM 0 H SER A 2 -19.645 5.233 5.263 1.00 0.00 H new ATOM 0 HA SER A 2 -18.823 3.427 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.754 1.513 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.597 2.030 7.158 1.00 0.00 H new ATOM 0 HG SER A 2 -21.969 2.066 5.282 1.00 0.00 H new ATOM 24 N MET A 3 -16.931 4.166 5.681 1.00 0.00 N ATOM 25 CA MET A 3 -15.719 4.255 4.824 1.00 0.00 C ATOM 26 C MET A 3 -16.155 4.193 3.333 1.00 0.00 C ATOM 27 O MET A 3 -15.521 3.517 2.512 1.00 0.00 O ATOM 28 CB MET A 3 -14.688 3.150 5.190 1.00 0.00 C ATOM 29 CG MET A 3 -15.196 1.698 5.231 1.00 0.00 C ATOM 30 SD MET A 3 -15.905 1.318 6.849 1.00 0.00 S ATOM 31 CE MET A 3 -16.923 -0.121 6.463 1.00 0.00 C ATOM 0 H MET A 3 -16.896 4.788 6.489 1.00 0.00 H new ATOM 0 HA MET A 3 -15.212 5.204 4.997 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.869 3.201 4.472 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.270 3.389 6.168 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.946 1.547 4.455 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.375 1.014 5.018 1.00 0.00 H new ATOM 0 HE1 MET A 3 -17.423 -0.466 7.368 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.670 0.151 5.717 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.292 -0.918 6.070 1.00 0.00 H new ATOM 41 N THR A 4 -17.227 4.935 2.997 1.00 0.00 N ATOM 42 CA THR A 4 -17.705 5.085 1.597 1.00 0.00 C ATOM 43 C THR A 4 -16.506 5.453 0.681 1.00 0.00 C ATOM 44 O THR A 4 -16.516 5.144 -0.520 1.00 0.00 O ATOM 45 CB THR A 4 -18.878 6.109 1.493 1.00 0.00 C ATOM 46 OG1 THR A 4 -19.669 6.090 2.680 1.00 0.00 O ATOM 47 CG2 THR A 4 -19.821 5.909 0.292 1.00 0.00 C ATOM 0 H THR A 4 -17.787 5.447 3.679 1.00 0.00 H new ATOM 0 HA THR A 4 -18.115 4.135 1.255 1.00 0.00 H new ATOM 0 HB THR A 4 -18.380 7.068 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.398 6.739 2.597 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.601 6.670 0.311 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.253 5.994 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.277 4.921 0.348 1.00 0.00 H new ATOM 55 N ASP A 5 -15.482 6.114 1.252 1.00 0.00 N ATOM 56 CA ASP A 5 -14.268 6.536 0.502 1.00 0.00 C ATOM 57 C ASP A 5 -13.083 6.657 1.498 1.00 0.00 C ATOM 58 O ASP A 5 -12.525 7.744 1.691 1.00 0.00 O ATOM 59 CB ASP A 5 -14.515 7.848 -0.298 1.00 0.00 C ATOM 60 CG ASP A 5 -15.134 9.015 0.490 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.623 8.789 1.620 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.139 10.156 -0.020 1.00 0.00 O ATOM 0 H ASP A 5 -15.465 6.373 2.239 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.018 5.782 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.564 8.181 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.168 7.618 -1.140 1.00 0.00 H new ATOM 67 N GLN A 6 -12.695 5.517 2.098 1.00 0.00 N ATOM 68 CA GLN A 6 -11.533 5.434 3.022 1.00 0.00 C ATOM 69 C GLN A 6 -10.263 5.927 2.274 1.00 0.00 C ATOM 70 O GLN A 6 -9.347 6.481 2.897 1.00 0.00 O ATOM 71 CB GLN A 6 -11.360 3.981 3.552 1.00 0.00 C ATOM 72 CG GLN A 6 -10.946 3.842 5.036 1.00 0.00 C ATOM 73 CD GLN A 6 -12.026 4.296 6.033 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.750 5.262 5.794 1.00 0.00 O ATOM 75 NE2 GLN A 6 -12.162 3.616 7.162 1.00 0.00 N ATOM 0 H GLN A 6 -13.172 4.626 1.961 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.700 6.072 3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.300 3.449 3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.612 3.479 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.696 2.800 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.041 4.425 5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.558 2.817 7.352 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.871 3.892 7.841 1.00 0.00 H new ATOM 84 N GLN A 7 -10.209 5.690 0.951 1.00 0.00 N ATOM 85 CA GLN A 7 -9.020 5.998 0.111 1.00 0.00 C ATOM 86 C GLN A 7 -8.552 7.445 0.424 1.00 0.00 C ATOM 87 O GLN A 7 -7.464 7.651 0.977 1.00 0.00 O ATOM 88 CB GLN A 7 -9.350 5.813 -1.398 1.00 0.00 C ATOM 89 CG GLN A 7 -8.999 4.436 -2.011 1.00 0.00 C ATOM 90 CD GLN A 7 -10.092 3.370 -1.820 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.818 3.371 -0.826 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.237 2.447 -2.759 1.00 0.00 N ATOM 0 H GLN A 7 -10.983 5.281 0.428 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.210 5.307 0.344 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.416 5.989 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.822 6.583 -1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.811 4.562 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.072 4.076 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.631 2.454 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.955 1.729 -2.662 1.00 0.00 H new ATOM 101 N ALA A 8 -9.372 8.440 0.037 1.00 0.00 N ATOM 102 CA ALA A 8 -9.017 9.879 0.165 1.00 0.00 C ATOM 103 C ALA A 8 -8.781 10.237 1.659 1.00 0.00 C ATOM 104 O ALA A 8 -7.925 11.069 1.979 1.00 0.00 O ATOM 105 CB ALA A 8 -10.138 10.728 -0.463 1.00 0.00 C ATOM 0 H ALA A 8 -10.293 8.279 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.089 10.090 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.887 11.785 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.245 10.468 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.076 10.533 0.056 1.00 0.00 H new ATOM 111 N GLU A 9 -9.555 9.594 2.554 1.00 0.00 N ATOM 112 CA GLU A 9 -9.536 9.897 4.011 1.00 0.00 C ATOM 113 C GLU A 9 -8.067 9.836 4.510 1.00 0.00 C ATOM 114 O GLU A 9 -7.655 10.635 5.360 1.00 0.00 O ATOM 115 CB GLU A 9 -10.485 8.941 4.791 1.00 0.00 C ATOM 116 CG GLU A 9 -10.392 8.975 6.335 1.00 0.00 C ATOM 117 CD GLU A 9 -11.711 8.658 7.047 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.786 9.017 6.517 1.00 0.00 O ATOM 119 OE2 GLU A 9 -11.678 8.052 8.141 1.00 0.00 O ATOM 0 H GLU A 9 -10.209 8.854 2.297 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.916 10.902 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.511 9.174 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.287 7.921 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.636 8.260 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.051 9.962 6.646 1.00 0.00 H new ATOM 126 N ALA A 10 -7.298 8.860 3.993 1.00 0.00 N ATOM 127 CA ALA A 10 -5.907 8.597 4.446 1.00 0.00 C ATOM 128 C ALA A 10 -5.047 9.883 4.296 1.00 0.00 C ATOM 129 O ALA A 10 -4.330 10.277 5.223 1.00 0.00 O ATOM 130 CB ALA A 10 -5.324 7.421 3.639 1.00 0.00 C ATOM 0 H ALA A 10 -7.615 8.232 3.254 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.902 8.322 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.304 7.224 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.934 6.532 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.321 7.673 2.579 1.00 0.00 H new ATOM 136 N ARG A 11 -5.114 10.505 3.104 1.00 0.00 N ATOM 137 CA ARG A 11 -4.279 11.683 2.747 1.00 0.00 C ATOM 138 C ARG A 11 -4.691 12.868 3.663 1.00 0.00 C ATOM 139 O ARG A 11 -3.849 13.685 4.053 1.00 0.00 O ATOM 140 CB ARG A 11 -4.451 12.041 1.244 1.00 0.00 C ATOM 141 CG ARG A 11 -4.570 10.826 0.294 1.00 0.00 C ATOM 142 CD ARG A 11 -4.328 11.193 -1.183 1.00 0.00 C ATOM 143 NE ARG A 11 -5.546 11.752 -1.822 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.679 13.028 -2.240 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.939 14.013 -1.744 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.587 13.335 -3.154 1.00 0.00 N ATOM 0 H ARG A 11 -5.745 10.211 2.358 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.224 11.457 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.342 12.659 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.601 12.647 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.852 10.064 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.563 10.387 0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.518 11.919 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.006 10.306 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.340 11.126 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.244 13.816 -1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.066 14.967 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.186 12.607 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.687 14.300 -3.470 1.00 0.00 H new ATOM 160 N ALA A 12 -5.998 12.949 3.982 1.00 0.00 N ATOM 161 CA ALA A 12 -6.564 14.059 4.795 1.00 0.00 C ATOM 162 C ALA A 12 -5.704 14.271 6.070 1.00 0.00 C ATOM 163 O ALA A 12 -5.596 15.393 6.580 1.00 0.00 O ATOM 164 CB ALA A 12 -8.033 13.746 5.139 1.00 0.00 C ATOM 0 H ALA A 12 -6.689 12.258 3.690 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.542 14.988 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.448 14.559 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.608 13.640 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.084 12.817 5.707 1.00 0.00 H new ATOM 170 N PHE A 13 -5.123 13.173 6.589 1.00 0.00 N ATOM 171 CA PHE A 13 -4.337 13.192 7.852 1.00 0.00 C ATOM 172 C PHE A 13 -2.883 13.631 7.529 1.00 0.00 C ATOM 173 O PHE A 13 -2.312 14.484 8.218 1.00 0.00 O ATOM 174 CB PHE A 13 -4.405 11.798 8.543 1.00 0.00 C ATOM 175 CG PHE A 13 -3.864 11.754 9.986 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.270 12.886 10.557 1.00 0.00 C ATOM 177 CD2 PHE A 13 -3.963 10.579 10.741 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.827 12.856 11.878 1.00 0.00 C ATOM 179 CE2 PHE A 13 -3.518 10.551 12.061 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.938 11.685 12.623 1.00 0.00 C ATOM 0 H PHE A 13 -5.180 12.252 6.154 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.756 13.910 8.557 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.443 11.464 8.551 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.845 11.084 7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.155 13.786 9.971 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.386 9.690 10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.398 13.741 12.324 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.623 9.650 12.648 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.573 11.656 13.639 1.00 0.00 H new ATOM 190 N LEU A 14 -2.313 13.053 6.454 1.00 0.00 N ATOM 191 CA LEU A 14 -0.919 13.331 6.020 1.00 0.00 C ATOM 192 C LEU A 14 -0.892 14.728 5.342 1.00 0.00 C ATOM 193 O LEU A 14 -1.943 15.313 5.059 1.00 0.00 O ATOM 194 CB LEU A 14 -0.408 12.205 5.072 1.00 0.00 C ATOM 195 CG LEU A 14 -0.817 10.743 5.417 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.010 9.718 4.595 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.673 10.438 6.922 1.00 0.00 C ATOM 0 H LEU A 14 -2.799 12.381 5.860 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.245 13.343 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.761 12.426 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.681 12.254 5.046 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.870 10.651 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.323 8.709 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.188 9.883 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.052 9.837 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.970 9.407 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.365 10.579 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.312 11.112 7.493 1.00 0.00 H new ATOM 209 N SER A 15 0.325 15.247 5.094 1.00 0.00 N ATOM 210 CA SER A 15 0.530 16.566 4.440 1.00 0.00 C ATOM 211 C SER A 15 0.810 16.366 2.925 1.00 0.00 C ATOM 212 O SER A 15 0.976 15.233 2.459 1.00 0.00 O ATOM 213 CB SER A 15 1.673 17.323 5.155 1.00 0.00 C ATOM 214 OG SER A 15 1.181 18.105 6.239 1.00 0.00 O ATOM 0 H SER A 15 1.194 14.772 5.337 1.00 0.00 H new ATOM 0 HA SER A 15 -0.371 17.173 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.409 16.609 5.524 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.185 17.969 4.442 1.00 0.00 H new ATOM 0 HG SER A 15 1.927 18.570 6.672 1.00 0.00 H new ATOM 220 N GLU A 16 0.832 17.479 2.170 1.00 0.00 N ATOM 221 CA GLU A 16 1.056 17.459 0.700 1.00 0.00 C ATOM 222 C GLU A 16 2.464 16.868 0.420 1.00 0.00 C ATOM 223 O GLU A 16 2.637 16.038 -0.481 1.00 0.00 O ATOM 224 CB GLU A 16 0.859 18.879 0.095 1.00 0.00 C ATOM 225 CG GLU A 16 0.615 18.959 -1.431 1.00 0.00 C ATOM 226 CD GLU A 16 1.599 18.132 -2.264 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.819 18.404 -2.206 1.00 0.00 O ATOM 228 OE2 GLU A 16 1.158 17.205 -2.978 1.00 0.00 O ATOM 0 H GLU A 16 0.697 18.415 2.552 1.00 0.00 H new ATOM 0 HA GLU A 16 0.320 16.822 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.015 19.349 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.742 19.474 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.399 18.621 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.676 20.001 -1.744 1.00 0.00 H new ATOM 235 N GLU A 17 3.461 17.320 1.210 1.00 0.00 N ATOM 236 CA GLU A 17 4.883 16.929 1.022 1.00 0.00 C ATOM 237 C GLU A 17 5.088 15.507 1.613 1.00 0.00 C ATOM 238 O GLU A 17 5.875 14.712 1.085 1.00 0.00 O ATOM 239 CB GLU A 17 5.844 17.988 1.639 1.00 0.00 C ATOM 240 CG GLU A 17 6.134 17.867 3.154 1.00 0.00 C ATOM 241 CD GLU A 17 6.482 19.196 3.830 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.556 19.981 4.133 1.00 0.00 O ATOM 243 OE2 GLU A 17 7.682 19.460 4.066 1.00 0.00 O ATOM 0 H GLU A 17 3.310 17.960 1.990 1.00 0.00 H new ATOM 0 HA GLU A 17 5.127 16.897 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.793 17.937 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.426 18.977 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.262 17.438 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.959 17.170 3.301 1.00 0.00 H new ATOM 250 N MET A 18 4.348 15.197 2.693 1.00 0.00 N ATOM 251 CA MET A 18 4.454 13.894 3.402 1.00 0.00 C ATOM 252 C MET A 18 4.221 12.758 2.369 1.00 0.00 C ATOM 253 O MET A 18 4.945 11.755 2.360 1.00 0.00 O ATOM 254 CB MET A 18 3.455 13.824 4.591 1.00 0.00 C ATOM 255 CG MET A 18 3.611 12.611 5.528 1.00 0.00 C ATOM 256 SD MET A 18 4.652 13.042 6.942 1.00 0.00 S ATOM 257 CE MET A 18 6.277 12.510 6.364 1.00 0.00 C ATOM 0 H MET A 18 3.663 15.832 3.102 1.00 0.00 H new ATOM 0 HA MET A 18 5.447 13.779 3.836 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.561 14.733 5.184 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.442 13.821 4.190 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.631 12.283 5.875 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.052 11.776 4.983 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.941 12.376 7.218 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.181 11.566 5.827 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.691 13.266 5.697 1.00 0.00 H new ATOM 267 N ILE A 19 3.211 12.941 1.498 1.00 0.00 N ATOM 268 CA ILE A 19 2.793 11.915 0.505 1.00 0.00 C ATOM 269 C ILE A 19 4.029 11.651 -0.399 1.00 0.00 C ATOM 270 O ILE A 19 4.324 10.499 -0.741 1.00 0.00 O ATOM 271 CB ILE A 19 1.494 12.338 -0.278 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.244 12.535 0.638 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.163 11.340 -1.420 1.00 0.00 C ATOM 274 CD1 ILE A 19 0.070 11.504 1.766 1.00 0.00 C ATOM 0 H ILE A 19 2.659 13.798 1.457 1.00 0.00 H new ATOM 0 HA ILE A 19 2.496 10.985 0.990 1.00 0.00 H new ATOM 0 HB ILE A 19 1.728 13.311 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.297 13.528 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.648 12.514 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.260 11.665 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.993 11.306 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.003 10.347 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.828 11.738 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.023 10.507 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.938 11.536 2.425 1.00 0.00 H new ATOM 286 N ALA A 20 4.722 12.732 -0.801 1.00 0.00 N ATOM 287 CA ALA A 20 5.861 12.655 -1.755 1.00 0.00 C ATOM 288 C ALA A 20 6.962 11.714 -1.194 1.00 0.00 C ATOM 289 O ALA A 20 7.630 11.001 -1.951 1.00 0.00 O ATOM 290 CB ALA A 20 6.393 14.078 -2.012 1.00 0.00 C ATOM 0 H ALA A 20 4.517 13.679 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 20 5.533 12.235 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.229 14.033 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.599 14.692 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.729 14.516 -1.072 1.00 0.00 H new ATOM 296 N GLU A 21 7.135 11.728 0.141 1.00 0.00 N ATOM 297 CA GLU A 21 8.215 10.971 0.827 1.00 0.00 C ATOM 298 C GLU A 21 7.920 9.452 0.695 1.00 0.00 C ATOM 299 O GLU A 21 8.832 8.649 0.466 1.00 0.00 O ATOM 300 CB GLU A 21 8.363 11.438 2.303 1.00 0.00 C ATOM 301 CG GLU A 21 9.176 10.520 3.248 1.00 0.00 C ATOM 302 CD GLU A 21 10.693 10.622 3.062 1.00 0.00 C ATOM 303 OE1 GLU A 21 11.146 10.933 1.938 1.00 0.00 O ATOM 304 OE2 GLU A 21 11.440 10.387 4.038 1.00 0.00 O ATOM 0 H GLU A 21 6.538 12.258 0.776 1.00 0.00 H new ATOM 0 HA GLU A 21 9.177 11.169 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.829 12.423 2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.364 11.558 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.929 10.768 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.869 9.487 3.087 1.00 0.00 H new ATOM 311 N PHE A 22 6.634 9.080 0.843 1.00 0.00 N ATOM 312 CA PHE A 22 6.188 7.663 0.777 1.00 0.00 C ATOM 313 C PHE A 22 6.465 7.119 -0.652 1.00 0.00 C ATOM 314 O PHE A 22 6.885 5.968 -0.817 1.00 0.00 O ATOM 315 CB PHE A 22 4.689 7.551 1.181 1.00 0.00 C ATOM 316 CG PHE A 22 4.390 7.823 2.670 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.377 7.613 3.640 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.119 8.254 3.068 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.097 7.836 4.987 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.839 8.466 4.416 1.00 0.00 C ATOM 321 CZ PHE A 22 3.838 8.291 5.370 1.00 0.00 C ATOM 0 H PHE A 22 5.876 9.742 1.010 1.00 0.00 H new ATOM 0 HA PHE A 22 6.746 7.052 1.486 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.113 8.252 0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.336 6.550 0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.360 7.277 3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.352 8.423 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.856 7.656 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.847 8.766 4.721 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.636 8.508 6.408 1.00 0.00 H new ATOM 331 N LYS A 23 6.207 7.964 -1.668 1.00 0.00 N ATOM 332 CA LYS A 23 6.394 7.600 -3.098 1.00 0.00 C ATOM 333 C LYS A 23 7.839 7.059 -3.276 1.00 0.00 C ATOM 334 O LYS A 23 8.079 6.151 -4.082 1.00 0.00 O ATOM 335 CB LYS A 23 6.115 8.820 -4.024 1.00 0.00 C ATOM 336 CG LYS A 23 6.082 8.543 -5.547 1.00 0.00 C ATOM 337 CD LYS A 23 5.562 7.152 -5.971 1.00 0.00 C ATOM 338 CE LYS A 23 5.447 6.943 -7.494 1.00 0.00 C ATOM 339 NZ LYS A 23 4.202 7.506 -8.048 1.00 0.00 N ATOM 0 H LYS A 23 5.865 8.915 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 23 5.682 6.826 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.157 9.254 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.878 9.575 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.459 9.302 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.091 8.667 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.227 6.391 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.582 6.993 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.302 7.406 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.490 5.877 -7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.172 7.340 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.384 7.047 -7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.171 8.529 -7.862 1.00 0.00 H new ATOM 353 N ALA A 24 8.794 7.647 -2.533 1.00 0.00 N ATOM 354 CA ALA A 24 10.240 7.321 -2.665 1.00 0.00 C ATOM 355 C ALA A 24 10.468 5.806 -2.409 1.00 0.00 C ATOM 356 O ALA A 24 11.065 5.102 -3.233 1.00 0.00 O ATOM 357 CB ALA A 24 11.047 8.197 -1.688 1.00 0.00 C ATOM 0 H ALA A 24 8.596 8.357 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 24 10.583 7.535 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.108 7.963 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.886 9.249 -1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.719 8.000 -0.667 1.00 0.00 H new ATOM 363 N ALA A 25 10.008 5.326 -1.238 1.00 0.00 N ATOM 364 CA ALA A 25 10.210 3.919 -0.802 1.00 0.00 C ATOM 365 C ALA A 25 9.485 2.951 -1.775 1.00 0.00 C ATOM 366 O ALA A 25 9.926 1.815 -1.983 1.00 0.00 O ATOM 367 CB ALA A 25 9.708 3.762 0.647 1.00 0.00 C ATOM 0 H ALA A 25 9.489 5.893 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 25 11.270 3.667 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.853 2.732 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.267 4.432 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.648 4.011 0.694 1.00 0.00 H new ATOM 373 N PHE A 26 8.352 3.412 -2.339 1.00 0.00 N ATOM 374 CA PHE A 26 7.519 2.605 -3.268 1.00 0.00 C ATOM 375 C PHE A 26 8.354 2.283 -4.537 1.00 0.00 C ATOM 376 O PHE A 26 8.275 1.179 -5.088 1.00 0.00 O ATOM 377 CB PHE A 26 6.197 3.361 -3.595 1.00 0.00 C ATOM 378 CG PHE A 26 5.014 2.465 -4.014 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.236 1.157 -4.457 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.705 2.964 -3.982 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.167 0.359 -4.859 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.637 2.162 -4.376 1.00 0.00 C ATOM 383 CZ PHE A 26 2.869 0.863 -4.820 1.00 0.00 C ATOM 0 H PHE A 26 7.985 4.348 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 26 7.232 1.661 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.902 3.939 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.394 4.074 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.241 0.764 -4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.524 3.976 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.345 -0.650 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.629 2.548 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.041 0.245 -5.135 1.00 0.00 H new ATOM 393 N ASP A 27 9.159 3.266 -4.985 1.00 0.00 N ATOM 394 CA ASP A 27 9.993 3.144 -6.209 1.00 0.00 C ATOM 395 C ASP A 27 11.121 2.102 -5.965 1.00 0.00 C ATOM 396 O ASP A 27 11.644 1.522 -6.929 1.00 0.00 O ATOM 397 CB ASP A 27 10.549 4.527 -6.660 1.00 0.00 C ATOM 398 CG ASP A 27 11.517 4.508 -7.855 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.050 4.598 -9.013 1.00 0.00 O ATOM 400 OD2 ASP A 27 12.745 4.399 -7.640 1.00 0.00 O ATOM 0 H ASP A 27 9.253 4.166 -4.515 1.00 0.00 H new ATOM 0 HA ASP A 27 9.373 2.787 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.706 5.171 -6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.059 4.985 -5.812 1.00 0.00 H new ATOM 405 N MET A 28 11.505 1.900 -4.690 1.00 0.00 N ATOM 406 CA MET A 28 12.582 0.941 -4.315 1.00 0.00 C ATOM 407 C MET A 28 12.215 -0.455 -4.890 1.00 0.00 C ATOM 408 O MET A 28 13.033 -1.092 -5.566 1.00 0.00 O ATOM 409 CB MET A 28 12.805 0.897 -2.776 1.00 0.00 C ATOM 410 CG MET A 28 14.234 0.554 -2.316 1.00 0.00 C ATOM 411 SD MET A 28 15.381 1.863 -2.801 1.00 0.00 S ATOM 412 CE MET A 28 15.572 2.765 -1.250 1.00 0.00 C ATOM 0 H MET A 28 11.089 2.385 -3.895 1.00 0.00 H new ATOM 0 HA MET A 28 13.529 1.270 -4.742 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.533 1.867 -2.360 1.00 0.00 H new ATOM 0 HB3 MET A 28 12.120 0.164 -2.349 1.00 0.00 H new ATOM 0 HG2 MET A 28 14.254 0.426 -1.234 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.547 -0.394 -2.755 1.00 0.00 H new ATOM 0 HE1 MET A 28 16.254 3.602 -1.398 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.601 3.140 -0.925 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.976 2.098 -0.489 1.00 0.00 H new ATOM 422 N PHE A 29 10.988 -0.924 -4.594 1.00 0.00 N ATOM 423 CA PHE A 29 10.512 -2.270 -5.013 1.00 0.00 C ATOM 424 C PHE A 29 9.502 -2.079 -6.177 1.00 0.00 C ATOM 425 O PHE A 29 8.538 -2.844 -6.307 1.00 0.00 O ATOM 426 CB PHE A 29 9.857 -3.053 -3.834 1.00 0.00 C ATOM 427 CG PHE A 29 10.656 -3.115 -2.516 1.00 0.00 C ATOM 428 CD1 PHE A 29 12.049 -2.963 -2.519 1.00 0.00 C ATOM 429 CD2 PHE A 29 9.994 -3.331 -1.301 1.00 0.00 C ATOM 430 CE1 PHE A 29 12.766 -3.042 -1.328 1.00 0.00 C ATOM 431 CE2 PHE A 29 10.716 -3.415 -0.113 1.00 0.00 C ATOM 432 CZ PHE A 29 12.100 -3.267 -0.127 1.00 0.00 C ATOM 0 H PHE A 29 10.299 -0.391 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 29 11.364 -2.866 -5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.887 -2.602 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.669 -4.074 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 29 12.569 -2.784 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.919 -3.433 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 29 13.840 -2.929 -1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.202 -3.595 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 29 12.658 -3.327 0.796 1.00 0.00 H new ATOM 442 N ASP A 30 9.756 -1.072 -7.033 1.00 0.00 N ATOM 443 CA ASP A 30 8.917 -0.786 -8.226 1.00 0.00 C ATOM 444 C ASP A 30 9.718 0.130 -9.190 1.00 0.00 C ATOM 445 O ASP A 30 9.394 1.315 -9.350 1.00 0.00 O ATOM 446 CB ASP A 30 7.540 -0.180 -7.829 1.00 0.00 C ATOM 447 CG ASP A 30 6.386 -0.415 -8.818 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.843 -1.542 -8.856 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.025 0.522 -9.563 1.00 0.00 O ATOM 0 H ASP A 30 10.543 -0.433 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 30 8.686 -1.717 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.251 -0.590 -6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.664 0.895 -7.696 1.00 0.00 H new ATOM 454 N ALA A 31 10.771 -0.425 -9.817 1.00 0.00 N ATOM 455 CA ALA A 31 11.668 0.318 -10.741 1.00 0.00 C ATOM 456 C ALA A 31 11.127 0.274 -12.197 1.00 0.00 C ATOM 457 O ALA A 31 11.913 0.301 -13.156 1.00 0.00 O ATOM 458 CB ALA A 31 13.086 -0.284 -10.652 1.00 0.00 C ATOM 0 H ALA A 31 11.030 -1.405 -9.701 1.00 0.00 H new ATOM 0 HA ALA A 31 11.705 1.367 -10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.753 0.254 -11.326 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.455 -0.196 -9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.053 -1.336 -10.937 1.00 0.00 H new ATOM 464 N ASP A 32 9.792 0.209 -12.353 1.00 0.00 N ATOM 465 CA ASP A 32 9.118 0.190 -13.679 1.00 0.00 C ATOM 466 C ASP A 32 8.447 1.569 -13.917 1.00 0.00 C ATOM 467 O ASP A 32 9.005 2.437 -14.599 1.00 0.00 O ATOM 468 CB ASP A 32 8.114 -0.994 -13.795 1.00 0.00 C ATOM 469 CG ASP A 32 8.659 -2.284 -14.431 1.00 0.00 C ATOM 470 OD1 ASP A 32 9.585 -2.203 -15.268 1.00 0.00 O ATOM 471 OD2 ASP A 32 8.159 -3.381 -14.097 1.00 0.00 O ATOM 0 H ASP A 32 9.143 0.168 -11.567 1.00 0.00 H new ATOM 0 HA ASP A 32 9.856 0.024 -14.464 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.748 -1.232 -12.796 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.256 -0.660 -14.378 1.00 0.00 H new ATOM 476 N GLY A 33 7.256 1.768 -13.319 1.00 0.00 N ATOM 477 CA GLY A 33 6.518 3.055 -13.396 1.00 0.00 C ATOM 478 C GLY A 33 6.182 3.575 -11.976 1.00 0.00 C ATOM 479 O GLY A 33 6.768 4.557 -11.501 1.00 0.00 O ATOM 0 H GLY A 33 6.778 1.052 -12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.118 3.794 -13.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.599 2.920 -13.967 1.00 0.00 H new ATOM 483 N GLY A 34 5.206 2.923 -11.313 1.00 0.00 N ATOM 484 CA GLY A 34 4.748 3.323 -9.959 1.00 0.00 C ATOM 485 C GLY A 34 3.201 3.283 -9.874 1.00 0.00 C ATOM 486 O GLY A 34 2.534 4.324 -9.889 1.00 0.00 O ATOM 0 H GLY A 34 4.715 2.113 -11.692 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.176 2.655 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.105 4.327 -9.730 1.00 0.00 H new ATOM 490 N GLY A 35 2.640 2.058 -9.818 1.00 0.00 N ATOM 491 CA GLY A 35 1.172 1.848 -9.770 1.00 0.00 C ATOM 492 C GLY A 35 0.794 0.859 -8.637 1.00 0.00 C ATOM 493 O GLY A 35 -0.032 1.175 -7.771 1.00 0.00 O ATOM 0 H GLY A 35 3.181 1.193 -9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.669 2.801 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.824 1.461 -10.728 1.00 0.00 H new ATOM 497 N ASP A 36 1.410 -0.338 -8.664 1.00 0.00 N ATOM 498 CA ASP A 36 1.096 -1.439 -7.715 1.00 0.00 C ATOM 499 C ASP A 36 2.310 -2.406 -7.650 1.00 0.00 C ATOM 500 O ASP A 36 3.128 -2.455 -8.576 1.00 0.00 O ATOM 501 CB ASP A 36 -0.227 -2.164 -8.098 1.00 0.00 C ATOM 502 CG ASP A 36 -0.238 -3.692 -7.926 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.567 -4.382 -8.592 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.055 -4.207 -7.132 1.00 0.00 O ATOM 0 H ASP A 36 2.137 -0.575 -9.339 1.00 0.00 H new ATOM 0 HA ASP A 36 0.927 -1.028 -6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.034 -1.746 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.454 -1.935 -9.139 1.00 0.00 H new ATOM 509 N ILE A 37 2.410 -3.167 -6.544 1.00 0.00 N ATOM 510 CA ILE A 37 3.505 -4.149 -6.313 1.00 0.00 C ATOM 511 C ILE A 37 2.839 -5.404 -5.684 1.00 0.00 C ATOM 512 O ILE A 37 1.606 -5.505 -5.630 1.00 0.00 O ATOM 513 CB ILE A 37 4.680 -3.540 -5.460 1.00 0.00 C ATOM 514 CG1 ILE A 37 4.197 -2.614 -4.297 1.00 0.00 C ATOM 515 CG2 ILE A 37 5.703 -2.783 -6.350 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.897 -3.316 -2.963 1.00 0.00 C ATOM 0 H ILE A 37 1.736 -3.124 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 37 3.997 -4.430 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 37 5.171 -4.398 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.959 -1.854 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.296 -2.094 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.499 -2.377 -5.725 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.130 -3.471 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.200 -1.969 -6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.570 -2.579 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.110 -4.055 -3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.798 -3.812 -2.602 1.00 0.00 H new ATOM 528 N SER A 38 3.667 -6.343 -5.189 1.00 0.00 N ATOM 529 CA SER A 38 3.183 -7.547 -4.462 1.00 0.00 C ATOM 530 C SER A 38 2.928 -7.195 -2.971 1.00 0.00 C ATOM 531 O SER A 38 3.503 -6.239 -2.439 1.00 0.00 O ATOM 532 CB SER A 38 4.207 -8.694 -4.629 1.00 0.00 C ATOM 533 OG SER A 38 3.584 -9.881 -5.109 1.00 0.00 O ATOM 0 H SER A 38 4.682 -6.296 -5.277 1.00 0.00 H new ATOM 0 HA SER A 38 2.235 -7.886 -4.880 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.990 -8.387 -5.322 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.689 -8.896 -3.672 1.00 0.00 H new ATOM 0 HG SER A 38 4.257 -10.587 -5.206 1.00 0.00 H new ATOM 539 N THR A 39 2.066 -7.993 -2.314 1.00 0.00 N ATOM 540 CA THR A 39 1.702 -7.809 -0.884 1.00 0.00 C ATOM 541 C THR A 39 2.818 -8.418 0.010 1.00 0.00 C ATOM 542 O THR A 39 3.055 -7.946 1.130 1.00 0.00 O ATOM 543 CB THR A 39 0.291 -8.394 -0.567 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.102 -8.070 0.764 1.00 0.00 O ATOM 545 CG2 THR A 39 0.158 -9.919 -0.743 1.00 0.00 C ATOM 0 H THR A 39 1.598 -8.786 -2.754 1.00 0.00 H new ATOM 0 HA THR A 39 1.632 -6.744 -0.665 1.00 0.00 H new ATOM 0 HB THR A 39 -0.360 -7.929 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.075 -8.150 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.859 -10.226 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.379 -10.187 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.859 -10.424 -0.079 1.00 0.00 H new ATOM 553 N LYS A 40 3.475 -9.484 -0.483 1.00 0.00 N ATOM 554 CA LYS A 40 4.491 -10.241 0.297 1.00 0.00 C ATOM 555 C LYS A 40 5.660 -9.281 0.650 1.00 0.00 C ATOM 556 O LYS A 40 6.274 -9.399 1.717 1.00 0.00 O ATOM 557 CB LYS A 40 4.986 -11.481 -0.504 1.00 0.00 C ATOM 558 CG LYS A 40 5.443 -12.709 0.320 1.00 0.00 C ATOM 559 CD LYS A 40 6.226 -13.791 -0.457 1.00 0.00 C ATOM 560 CE LYS A 40 6.744 -13.345 -1.839 1.00 0.00 C ATOM 561 NZ LYS A 40 7.397 -14.441 -2.579 1.00 0.00 N ATOM 0 H LYS A 40 3.324 -9.848 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 40 4.050 -10.617 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.183 -11.798 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.817 -11.167 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.066 -12.358 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.562 -13.173 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.075 -14.111 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.583 -14.661 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.912 -12.959 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.451 -12.526 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.727 -14.089 -3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.208 -14.794 -2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.717 -15.214 -2.727 1.00 0.00 H new ATOM 575 N GLU A 41 5.968 -8.350 -0.272 1.00 0.00 N ATOM 576 CA GLU A 41 7.132 -7.433 -0.144 1.00 0.00 C ATOM 577 C GLU A 41 6.686 -6.144 0.601 1.00 0.00 C ATOM 578 O GLU A 41 7.437 -5.601 1.419 1.00 0.00 O ATOM 579 CB GLU A 41 7.758 -7.142 -1.539 1.00 0.00 C ATOM 580 CG GLU A 41 9.303 -7.159 -1.627 1.00 0.00 C ATOM 581 CD GLU A 41 9.935 -8.494 -1.220 1.00 0.00 C ATOM 582 OE1 GLU A 41 9.347 -9.558 -1.516 1.00 0.00 O ATOM 583 OE2 GLU A 41 11.021 -8.485 -0.600 1.00 0.00 O ATOM 0 H GLU A 41 5.425 -8.207 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 41 7.917 -7.903 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.369 -7.875 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.409 -6.164 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.601 -6.924 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.702 -6.370 -0.989 1.00 0.00 H new ATOM 590 N LEU A 42 5.479 -5.652 0.272 1.00 0.00 N ATOM 591 CA LEU A 42 4.925 -4.369 0.788 1.00 0.00 C ATOM 592 C LEU A 42 5.262 -4.226 2.296 1.00 0.00 C ATOM 593 O LEU A 42 5.779 -3.186 2.729 1.00 0.00 O ATOM 594 CB LEU A 42 3.386 -4.308 0.529 1.00 0.00 C ATOM 595 CG LEU A 42 2.516 -3.560 1.581 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.153 -3.140 0.994 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.300 -4.397 2.859 1.00 0.00 C ATOM 0 H LEU A 42 4.846 -6.133 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 42 5.380 -3.531 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.225 -3.835 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.016 -5.330 0.450 1.00 0.00 H new ATOM 0 HG LEU A 42 3.072 -2.663 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.573 -2.621 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.312 -2.476 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.610 -4.026 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.688 -3.834 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.795 -5.328 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.265 -4.621 3.315 1.00 0.00 H new ATOM 609 N GLY A 43 4.948 -5.266 3.092 1.00 0.00 N ATOM 610 CA GLY A 43 5.294 -5.305 4.536 1.00 0.00 C ATOM 611 C GLY A 43 6.781 -4.912 4.733 1.00 0.00 C ATOM 612 O GLY A 43 7.088 -3.882 5.344 1.00 0.00 O ATOM 0 H GLY A 43 4.454 -6.095 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.652 -4.622 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.117 -6.304 4.935 1.00 0.00 H new ATOM 616 N THR A 44 7.692 -5.766 4.233 1.00 0.00 N ATOM 617 CA THR A 44 9.163 -5.578 4.359 1.00 0.00 C ATOM 618 C THR A 44 9.556 -4.103 4.075 1.00 0.00 C ATOM 619 O THR A 44 10.587 -3.631 4.572 1.00 0.00 O ATOM 620 CB THR A 44 9.949 -6.577 3.449 1.00 0.00 C ATOM 621 OG1 THR A 44 9.866 -7.903 3.965 1.00 0.00 O ATOM 622 CG2 THR A 44 11.439 -6.242 3.244 1.00 0.00 C ATOM 0 H THR A 44 7.435 -6.613 3.726 1.00 0.00 H new ATOM 0 HA THR A 44 9.445 -5.802 5.388 1.00 0.00 H new ATOM 0 HB THR A 44 9.463 -6.488 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.363 -8.513 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.895 -6.993 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.531 -5.260 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.946 -6.235 4.209 1.00 0.00 H new ATOM 630 N VAL A 45 8.757 -3.407 3.245 1.00 0.00 N ATOM 631 CA VAL A 45 9.060 -2.024 2.785 1.00 0.00 C ATOM 632 C VAL A 45 8.913 -1.081 4.010 1.00 0.00 C ATOM 633 O VAL A 45 9.830 -0.312 4.331 1.00 0.00 O ATOM 634 CB VAL A 45 8.176 -1.608 1.556 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.946 -0.761 1.961 1.00 0.00 C ATOM 636 CG2 VAL A 45 8.945 -0.839 0.452 1.00 0.00 C ATOM 0 H VAL A 45 7.884 -3.779 2.871 1.00 0.00 H new ATOM 0 HA VAL A 45 10.082 -1.957 2.411 1.00 0.00 H new ATOM 0 HB VAL A 45 7.851 -2.565 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.373 -0.503 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.318 -1.334 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.279 0.152 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.262 -0.589 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.362 0.077 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.752 -1.463 0.068 1.00 0.00 H new ATOM 646 N MET A 46 7.748 -1.142 4.682 1.00 0.00 N ATOM 647 CA MET A 46 7.399 -0.224 5.801 1.00 0.00 C ATOM 648 C MET A 46 8.336 -0.503 7.007 1.00 0.00 C ATOM 649 O MET A 46 8.648 0.411 7.783 1.00 0.00 O ATOM 650 CB MET A 46 5.898 -0.367 6.183 1.00 0.00 C ATOM 651 CG MET A 46 5.471 -1.751 6.709 1.00 0.00 C ATOM 652 SD MET A 46 4.157 -1.577 7.937 1.00 0.00 S ATOM 653 CE MET A 46 2.687 -1.850 6.926 1.00 0.00 C ATOM 0 H MET A 46 7.019 -1.824 4.471 1.00 0.00 H new ATOM 0 HA MET A 46 7.547 0.809 5.486 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.663 0.378 6.943 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.295 -0.130 5.307 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.125 -2.371 5.882 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.327 -2.259 7.152 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.933 -2.374 7.514 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.288 -0.890 6.598 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.951 -2.450 6.055 1.00 0.00 H new ATOM 663 N ARG A 47 8.754 -1.771 7.175 1.00 0.00 N ATOM 664 CA ARG A 47 9.545 -2.223 8.352 1.00 0.00 C ATOM 665 C ARG A 47 11.022 -1.781 8.169 1.00 0.00 C ATOM 666 O ARG A 47 11.700 -1.434 9.145 1.00 0.00 O ATOM 667 CB ARG A 47 9.433 -3.764 8.525 1.00 0.00 C ATOM 668 CG ARG A 47 9.622 -4.271 9.975 1.00 0.00 C ATOM 669 CD ARG A 47 10.990 -4.946 10.195 1.00 0.00 C ATOM 670 NE ARG A 47 11.014 -5.801 11.408 1.00 0.00 N ATOM 671 CZ ARG A 47 11.918 -5.725 12.407 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.143 -5.276 12.174 1.00 0.00 N ATOM 673 NH2 ARG A 47 11.640 -6.147 13.637 1.00 0.00 N ATOM 0 H ARG A 47 8.558 -2.515 6.505 1.00 0.00 H new ATOM 0 HA ARG A 47 9.149 -1.765 9.259 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.455 -4.085 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.178 -4.242 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.520 -3.433 10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.829 -4.980 10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.237 -5.551 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.760 -4.179 10.280 1.00 0.00 H new ATOM 0 HE ARG A 47 10.283 -6.508 11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.409 -4.984 11.233 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.820 -5.222 12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.723 -6.541 13.846 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.344 -6.077 14.372 1.00 0.00 H new ATOM 687 N MET A 48 11.507 -1.806 6.912 1.00 0.00 N ATOM 688 CA MET A 48 12.928 -1.527 6.584 1.00 0.00 C ATOM 689 C MET A 48 13.153 0.003 6.454 1.00 0.00 C ATOM 690 O MET A 48 14.268 0.425 6.098 1.00 0.00 O ATOM 691 CB MET A 48 13.351 -2.286 5.289 1.00 0.00 C ATOM 692 CG MET A 48 14.850 -2.222 4.939 1.00 0.00 C ATOM 693 SD MET A 48 15.276 -3.524 3.761 1.00 0.00 S ATOM 694 CE MET A 48 14.980 -5.007 4.745 1.00 0.00 C ATOM 0 H MET A 48 10.932 -2.018 6.096 1.00 0.00 H new ATOM 0 HA MET A 48 13.560 -1.891 7.394 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.065 -3.333 5.393 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.783 -1.882 4.451 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.090 -1.247 4.516 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.447 -2.332 5.844 1.00 0.00 H new ATOM 0 HE1 MET A 48 15.854 -5.656 4.696 1.00 0.00 H new ATOM 0 HE2 MET A 48 14.795 -4.725 5.781 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.112 -5.537 4.352 1.00 0.00 H new ATOM 704 N LEU A 49 12.133 0.831 6.738 1.00 0.00 N ATOM 705 CA LEU A 49 12.255 2.314 6.764 1.00 0.00 C ATOM 706 C LEU A 49 12.098 2.784 8.234 1.00 0.00 C ATOM 707 O LEU A 49 12.802 3.693 8.691 1.00 0.00 O ATOM 708 CB LEU A 49 11.197 2.962 5.821 1.00 0.00 C ATOM 709 CG LEU A 49 9.776 2.329 5.747 1.00 0.00 C ATOM 710 CD1 LEU A 49 8.798 2.991 6.743 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.196 2.409 4.319 1.00 0.00 C ATOM 0 H LEU A 49 11.194 0.498 6.958 1.00 0.00 H new ATOM 0 HA LEU A 49 13.232 2.629 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.080 4.003 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.611 2.965 4.813 1.00 0.00 H new ATOM 0 HG LEU A 49 9.890 1.281 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.819 2.520 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.174 2.867 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.710 4.053 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.204 1.958 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.125 3.453 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.849 1.873 3.631 1.00 0.00 H new ATOM 723 N GLY A 50 11.183 2.130 8.979 1.00 0.00 N ATOM 724 CA GLY A 50 10.997 2.392 10.429 1.00 0.00 C ATOM 725 C GLY A 50 9.696 1.731 10.951 1.00 0.00 C ATOM 726 O GLY A 50 8.675 2.404 11.142 1.00 0.00 O ATOM 0 H GLY A 50 10.559 1.416 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.853 2.007 10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.959 3.467 10.606 1.00 0.00 H new ATOM 730 N GLN A 51 9.754 0.406 11.187 1.00 0.00 N ATOM 731 CA GLN A 51 8.645 -0.372 11.800 1.00 0.00 C ATOM 732 C GLN A 51 9.245 -1.660 12.427 1.00 0.00 C ATOM 733 O GLN A 51 10.418 -1.983 12.205 1.00 0.00 O ATOM 734 CB GLN A 51 7.546 -0.699 10.748 1.00 0.00 C ATOM 735 CG GLN A 51 6.082 -0.468 11.195 1.00 0.00 C ATOM 736 CD GLN A 51 5.574 0.966 10.965 1.00 0.00 C ATOM 737 OE1 GLN A 51 6.141 1.726 10.181 1.00 0.00 O ATOM 738 NE2 GLN A 51 4.501 1.364 11.633 1.00 0.00 N ATOM 0 H GLN A 51 10.570 -0.162 10.960 1.00 0.00 H new ATOM 0 HA GLN A 51 8.160 0.216 12.579 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.732 -0.096 9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.654 -1.743 10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.435 -1.162 10.657 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.995 -0.707 12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.038 0.726 12.281 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.138 2.308 11.499 1.00 0.00 H new ATOM 747 N ASN A 52 8.433 -2.369 13.235 1.00 0.00 N ATOM 748 CA ASN A 52 8.861 -3.614 13.929 1.00 0.00 C ATOM 749 C ASN A 52 7.987 -4.845 13.501 1.00 0.00 C ATOM 750 O ASN A 52 8.577 -5.916 13.289 1.00 0.00 O ATOM 751 CB ASN A 52 8.800 -3.366 15.465 1.00 0.00 C ATOM 752 CG ASN A 52 7.614 -4.047 16.180 1.00 0.00 C ATOM 753 OD1 ASN A 52 7.541 -5.272 16.270 1.00 0.00 O ATOM 754 ND2 ASN A 52 6.665 -3.277 16.693 1.00 0.00 N ATOM 0 H ASN A 52 7.467 -2.103 13.429 1.00 0.00 H new ATOM 0 HA ASN A 52 9.884 -3.859 13.643 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.729 -3.719 15.914 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.747 -2.292 15.644 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.866 -3.699 17.167 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.733 -2.262 16.614 1.00 0.00 H new ATOM 761 N PRO A 53 6.629 -4.784 13.369 1.00 0.00 N ATOM 762 CA PRO A 53 5.773 -5.968 13.083 1.00 0.00 C ATOM 763 C PRO A 53 5.648 -6.255 11.563 1.00 0.00 C ATOM 764 O PRO A 53 6.539 -5.905 10.778 1.00 0.00 O ATOM 765 CB PRO A 53 4.455 -5.544 13.774 1.00 0.00 C ATOM 766 CG PRO A 53 4.371 -4.027 13.553 1.00 0.00 C ATOM 767 CD PRO A 53 5.825 -3.553 13.534 1.00 0.00 C ATOM 0 HA PRO A 53 6.158 -6.920 13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.597 -6.056 13.339 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.468 -5.790 14.836 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.866 -3.791 12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.807 -3.542 14.350 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.001 -2.854 12.716 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.083 -3.034 14.457 1.00 0.00 H new ATOM 775 N THR A 54 4.530 -6.887 11.159 1.00 0.00 N ATOM 776 CA THR A 54 4.198 -7.134 9.730 1.00 0.00 C ATOM 777 C THR A 54 5.039 -8.312 9.170 1.00 0.00 C ATOM 778 O THR A 54 5.097 -8.500 7.945 1.00 0.00 O ATOM 779 CB THR A 54 4.360 -5.828 8.883 1.00 0.00 C ATOM 780 OG1 THR A 54 5.554 -5.874 8.106 1.00 0.00 O ATOM 781 CG2 THR A 54 4.373 -4.512 9.688 1.00 0.00 C ATOM 0 H THR A 54 3.828 -7.243 11.808 1.00 0.00 H new ATOM 0 HA THR A 54 3.150 -7.425 9.659 1.00 0.00 H new ATOM 0 HB THR A 54 3.466 -5.811 8.260 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.332 -5.884 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.490 -3.670 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.435 -4.410 10.234 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.204 -4.525 10.394 1.00 0.00 H new ATOM 789 N LYS A 55 5.680 -9.098 10.054 1.00 0.00 N ATOM 790 CA LYS A 55 6.427 -10.325 9.665 1.00 0.00 C ATOM 791 C LYS A 55 5.439 -11.525 9.649 1.00 0.00 C ATOM 792 O LYS A 55 4.946 -11.919 8.585 1.00 0.00 O ATOM 793 CB LYS A 55 7.618 -10.576 10.634 1.00 0.00 C ATOM 794 CG LYS A 55 8.230 -11.998 10.627 1.00 0.00 C ATOM 795 CD LYS A 55 9.728 -12.089 10.261 1.00 0.00 C ATOM 796 CE LYS A 55 10.574 -12.958 11.212 1.00 0.00 C ATOM 797 NZ LYS A 55 12.000 -12.587 11.198 1.00 0.00 N ATOM 0 H LYS A 55 5.700 -8.908 11.056 1.00 0.00 H new ATOM 0 HA LYS A 55 6.851 -10.201 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.408 -9.864 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.285 -10.353 11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.091 -12.437 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.667 -12.611 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.817 -12.488 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.145 -11.082 10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.187 -12.863 12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.472 -14.006 10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.525 -13.201 11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.379 -12.703 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.104 -11.595 11.494 1.00 0.00 H new ATOM 811 N GLU A 56 5.166 -12.096 10.836 1.00 0.00 N ATOM 812 CA GLU A 56 4.155 -13.176 11.000 1.00 0.00 C ATOM 813 C GLU A 56 2.756 -12.600 10.646 1.00 0.00 C ATOM 814 O GLU A 56 1.867 -13.339 10.204 1.00 0.00 O ATOM 815 CB GLU A 56 4.225 -13.784 12.430 1.00 0.00 C ATOM 816 CG GLU A 56 5.373 -14.783 12.710 1.00 0.00 C ATOM 817 CD GLU A 56 5.801 -15.601 11.488 1.00 0.00 C ATOM 818 OE1 GLU A 56 4.952 -16.312 10.907 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.990 -15.538 11.104 1.00 0.00 O ATOM 0 H GLU A 56 5.630 -11.831 11.705 1.00 0.00 H new ATOM 0 HA GLU A 56 4.361 -14.002 10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.307 -12.964 13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.280 -14.288 12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.236 -14.233 13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.061 -15.466 13.500 1.00 0.00 H new ATOM 826 N GLU A 57 2.583 -11.279 10.842 1.00 0.00 N ATOM 827 CA GLU A 57 1.312 -10.574 10.525 1.00 0.00 C ATOM 828 C GLU A 57 1.139 -10.515 8.983 1.00 0.00 C ATOM 829 O GLU A 57 0.000 -10.494 8.490 1.00 0.00 O ATOM 830 CB GLU A 57 1.266 -9.169 11.195 1.00 0.00 C ATOM 831 CG GLU A 57 1.797 -9.073 12.646 1.00 0.00 C ATOM 832 CD GLU A 57 0.800 -9.548 13.707 1.00 0.00 C ATOM 833 OE1 GLU A 57 0.602 -10.775 13.845 1.00 0.00 O ATOM 834 OE2 GLU A 57 0.211 -8.696 14.409 1.00 0.00 O ATOM 0 H GLU A 57 3.308 -10.670 11.220 1.00 0.00 H new ATOM 0 HA GLU A 57 0.468 -11.126 10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.839 -8.478 10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.233 -8.822 11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.709 -9.665 12.728 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.069 -8.038 12.855 1.00 0.00 H new ATOM 841 N LEU A 58 2.260 -10.489 8.236 1.00 0.00 N ATOM 842 CA LEU A 58 2.225 -10.435 6.747 1.00 0.00 C ATOM 843 C LEU A 58 1.315 -11.593 6.251 1.00 0.00 C ATOM 844 O LEU A 58 0.625 -11.459 5.234 1.00 0.00 O ATOM 845 CB LEU A 58 3.659 -10.518 6.143 1.00 0.00 C ATOM 846 CG LEU A 58 4.023 -9.488 5.033 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.437 -8.095 5.339 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.547 -9.380 4.819 1.00 0.00 C ATOM 0 H LEU A 58 3.201 -10.504 8.630 1.00 0.00 H new ATOM 0 HA LEU A 58 1.816 -9.482 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.376 -10.406 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.796 -11.519 5.734 1.00 0.00 H new ATOM 0 HG LEU A 58 3.577 -9.860 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.711 -7.402 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.351 -8.163 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.834 -7.734 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.754 -8.650 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.023 -9.062 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.943 -10.352 4.523 1.00 0.00 H new ATOM 860 N ASP A 59 1.333 -12.720 6.988 1.00 0.00 N ATOM 861 CA ASP A 59 0.506 -13.913 6.667 1.00 0.00 C ATOM 862 C ASP A 59 -0.973 -13.469 6.504 1.00 0.00 C ATOM 863 O ASP A 59 -1.609 -13.749 5.479 1.00 0.00 O ATOM 864 CB ASP A 59 0.679 -15.035 7.732 1.00 0.00 C ATOM 865 CG ASP A 59 2.125 -15.363 8.141 1.00 0.00 C ATOM 866 OD1 ASP A 59 3.060 -15.051 7.369 1.00 0.00 O ATOM 867 OD2 ASP A 59 2.329 -15.939 9.233 1.00 0.00 O ATOM 0 H ASP A 59 1.915 -12.835 7.818 1.00 0.00 H new ATOM 0 HA ASP A 59 0.843 -14.348 5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.126 -14.747 8.626 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.216 -15.945 7.350 1.00 0.00 H new ATOM 872 N ALA A 60 -1.518 -12.802 7.539 1.00 0.00 N ATOM 873 CA ALA A 60 -2.952 -12.409 7.585 1.00 0.00 C ATOM 874 C ALA A 60 -3.277 -11.424 6.428 1.00 0.00 C ATOM 875 O ALA A 60 -4.302 -11.562 5.751 1.00 0.00 O ATOM 876 CB ALA A 60 -3.262 -11.795 8.964 1.00 0.00 C ATOM 0 H ALA A 60 -0.988 -12.519 8.363 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.584 -13.286 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.312 -11.504 9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.058 -12.529 9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.636 -10.917 9.120 1.00 0.00 H new ATOM 882 N ILE A 61 -2.407 -10.416 6.246 1.00 0.00 N ATOM 883 CA ILE A 61 -2.581 -9.329 5.241 1.00 0.00 C ATOM 884 C ILE A 61 -2.934 -10.024 3.900 1.00 0.00 C ATOM 885 O ILE A 61 -3.691 -9.480 3.088 1.00 0.00 O ATOM 886 CB ILE A 61 -1.331 -8.372 5.156 1.00 0.00 C ATOM 887 CG1 ILE A 61 -1.144 -7.470 6.418 1.00 0.00 C ATOM 888 CG2 ILE A 61 -1.366 -7.494 3.877 1.00 0.00 C ATOM 889 CD1 ILE A 61 0.144 -6.632 6.460 1.00 0.00 C ATOM 0 H ILE A 61 -1.551 -10.323 6.793 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.387 -8.655 5.530 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.468 -9.037 5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.996 -6.794 6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.169 -8.106 7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.488 -6.848 3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.367 -8.135 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.267 -6.881 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.167 -6.046 7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.010 -7.294 6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.170 -5.961 5.601 1.00 0.00 H new ATOM 901 N ILE A 62 -2.351 -11.216 3.669 1.00 0.00 N ATOM 902 CA ILE A 62 -2.487 -11.968 2.391 1.00 0.00 C ATOM 903 C ILE A 62 -3.942 -12.515 2.363 1.00 0.00 C ATOM 904 O ILE A 62 -4.654 -12.366 1.363 1.00 0.00 O ATOM 905 CB ILE A 62 -1.375 -13.071 2.228 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.023 -12.520 1.669 1.00 0.00 C ATOM 907 CG2 ILE A 62 -1.867 -14.256 1.355 1.00 0.00 C ATOM 908 CD1 ILE A 62 1.191 -13.452 1.814 1.00 0.00 C ATOM 0 H ILE A 62 -1.770 -11.692 4.360 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.324 -11.325 1.526 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.179 -13.429 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.156 -12.289 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.202 -11.581 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.072 -14.997 1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.739 -14.714 1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.136 -13.891 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.073 -12.969 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.362 -13.665 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.000 -14.384 1.282 1.00 0.00 H new ATOM 920 N GLU A 63 -4.365 -13.141 3.477 1.00 0.00 N ATOM 921 CA GLU A 63 -5.756 -13.638 3.654 1.00 0.00 C ATOM 922 C GLU A 63 -6.754 -12.535 3.207 1.00 0.00 C ATOM 923 O GLU A 63 -7.835 -12.835 2.685 1.00 0.00 O ATOM 924 CB GLU A 63 -5.989 -14.107 5.121 1.00 0.00 C ATOM 925 CG GLU A 63 -4.926 -15.054 5.726 1.00 0.00 C ATOM 926 CD GLU A 63 -4.691 -16.330 4.911 1.00 0.00 C ATOM 927 OE1 GLU A 63 -5.390 -17.339 5.152 1.00 0.00 O ATOM 928 OE2 GLU A 63 -3.804 -16.330 4.028 1.00 0.00 O ATOM 0 H GLU A 63 -3.761 -13.319 4.280 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.924 -14.512 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.056 -13.222 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.956 -14.607 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.983 -14.514 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.233 -15.331 6.735 1.00 0.00 H new ATOM 935 N GLU A 64 -6.382 -11.261 3.432 1.00 0.00 N ATOM 936 CA GLU A 64 -7.269 -10.095 3.177 1.00 0.00 C ATOM 937 C GLU A 64 -7.336 -9.833 1.648 1.00 0.00 C ATOM 938 O GLU A 64 -8.423 -9.666 1.077 1.00 0.00 O ATOM 939 CB GLU A 64 -6.788 -8.853 3.985 1.00 0.00 C ATOM 940 CG GLU A 64 -7.882 -8.012 4.685 1.00 0.00 C ATOM 941 CD GLU A 64 -8.476 -8.674 5.932 1.00 0.00 C ATOM 942 OE1 GLU A 64 -8.510 -9.923 5.995 1.00 0.00 O ATOM 943 OE2 GLU A 64 -8.914 -7.949 6.852 1.00 0.00 O ATOM 0 H GLU A 64 -5.464 -11.005 3.794 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.280 -10.308 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.083 -9.193 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.238 -8.199 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.460 -7.047 4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.684 -7.815 3.974 1.00 0.00 H new ATOM 950 N VAL A 65 -6.156 -9.771 1.001 1.00 0.00 N ATOM 951 CA VAL A 65 -6.033 -9.416 -0.438 1.00 0.00 C ATOM 952 C VAL A 65 -5.979 -10.728 -1.264 1.00 0.00 C ATOM 953 O VAL A 65 -5.418 -10.746 -2.372 1.00 0.00 O ATOM 954 CB VAL A 65 -4.810 -8.460 -0.697 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.784 -7.898 -2.139 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.717 -7.269 0.288 1.00 0.00 C ATOM 0 H VAL A 65 -5.262 -9.963 1.453 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.904 -8.846 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.947 -9.107 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.919 -7.246 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.719 -8.722 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.696 -7.330 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.848 -6.660 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.619 -6.662 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.619 -7.646 1.306 1.00 0.00 H new ATOM 966 N ASP A 66 -6.569 -11.825 -0.746 1.00 0.00 N ATOM 967 CA ASP A 66 -6.691 -13.115 -1.474 1.00 0.00 C ATOM 968 C ASP A 66 -8.157 -13.636 -1.432 1.00 0.00 C ATOM 969 O ASP A 66 -8.449 -14.674 -2.046 1.00 0.00 O ATOM 970 CB ASP A 66 -5.680 -14.167 -0.922 1.00 0.00 C ATOM 971 CG ASP A 66 -5.410 -15.381 -1.826 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.483 -15.242 -3.067 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.118 -16.477 -1.296 1.00 0.00 O ATOM 0 H ASP A 66 -6.976 -11.846 0.189 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.437 -12.945 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.732 -13.664 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.050 -14.529 0.037 1.00 0.00 H new ATOM 978 N GLU A 67 -9.065 -12.918 -0.750 1.00 0.00 N ATOM 979 CA GLU A 67 -10.509 -13.263 -0.683 1.00 0.00 C ATOM 980 C GLU A 67 -11.223 -12.638 -1.914 1.00 0.00 C ATOM 981 O GLU A 67 -11.876 -13.338 -2.695 1.00 0.00 O ATOM 982 CB GLU A 67 -11.125 -12.806 0.671 1.00 0.00 C ATOM 983 CG GLU A 67 -12.610 -13.164 0.920 1.00 0.00 C ATOM 984 CD GLU A 67 -13.053 -13.004 2.378 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.911 -13.967 3.163 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.542 -11.912 2.745 1.00 0.00 O ATOM 0 H GLU A 67 -8.825 -12.077 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.645 -14.344 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.532 -13.238 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.020 -11.723 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.236 -12.533 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.782 -14.195 0.610 1.00 0.00 H new ATOM 993 N ASP A 68 -11.107 -11.303 -2.050 1.00 0.00 N ATOM 994 CA ASP A 68 -11.756 -10.534 -3.145 1.00 0.00 C ATOM 995 C ASP A 68 -10.744 -10.382 -4.313 1.00 0.00 C ATOM 996 O ASP A 68 -11.088 -10.569 -5.486 1.00 0.00 O ATOM 997 CB ASP A 68 -12.300 -9.166 -2.641 1.00 0.00 C ATOM 998 CG ASP A 68 -12.961 -8.267 -3.700 1.00 0.00 C ATOM 999 OD1 ASP A 68 -13.842 -8.754 -4.442 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -12.605 -7.070 -3.786 1.00 0.00 O ATOM 0 H ASP A 68 -10.564 -10.723 -1.410 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.628 -11.077 -3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.027 -9.356 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.475 -8.614 -2.190 1.00 0.00 H new ATOM 1005 N GLY A 69 -9.477 -10.066 -3.972 1.00 0.00 N ATOM 1006 CA GLY A 69 -8.389 -9.929 -4.973 1.00 0.00 C ATOM 1007 C GLY A 69 -7.507 -11.204 -4.995 1.00 0.00 C ATOM 1008 O GLY A 69 -7.905 -12.258 -4.482 1.00 0.00 O ATOM 0 H GLY A 69 -9.178 -9.900 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.816 -9.758 -5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.776 -9.060 -4.736 1.00 0.00 H new ATOM 1012 N SER A 70 -6.307 -11.086 -5.595 1.00 0.00 N ATOM 1013 CA SER A 70 -5.371 -12.226 -5.782 1.00 0.00 C ATOM 1014 C SER A 70 -4.052 -11.955 -5.010 1.00 0.00 C ATOM 1015 O SER A 70 -3.442 -12.871 -4.444 1.00 0.00 O ATOM 1016 CB SER A 70 -5.133 -12.453 -7.293 1.00 0.00 C ATOM 1017 OG SER A 70 -6.232 -13.128 -7.896 1.00 0.00 O ATOM 0 H SER A 70 -5.954 -10.203 -5.965 1.00 0.00 H new ATOM 0 HA SER A 70 -5.802 -13.141 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.978 -11.494 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.223 -13.036 -7.436 1.00 0.00 H new ATOM 0 HG SER A 70 -6.053 -13.256 -8.851 1.00 0.00 H new ATOM 1023 N GLY A 71 -3.608 -10.682 -5.010 1.00 0.00 N ATOM 1024 CA GLY A 71 -2.352 -10.270 -4.333 1.00 0.00 C ATOM 1025 C GLY A 71 -1.790 -8.975 -4.974 1.00 0.00 C ATOM 1026 O GLY A 71 -0.585 -8.871 -5.236 1.00 0.00 O ATOM 0 H GLY A 71 -4.099 -9.916 -5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.541 -10.106 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.614 -11.069 -4.405 1.00 0.00 H new ATOM 1030 N THR A 72 -2.683 -7.997 -5.218 1.00 0.00 N ATOM 1031 CA THR A 72 -2.326 -6.698 -5.849 1.00 0.00 C ATOM 1032 C THR A 72 -2.750 -5.555 -4.888 1.00 0.00 C ATOM 1033 O THR A 72 -3.914 -5.488 -4.466 1.00 0.00 O ATOM 1034 CB THR A 72 -2.878 -6.563 -7.305 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.217 -7.046 -7.348 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.082 -7.250 -8.433 1.00 0.00 C ATOM 0 H THR A 72 -3.673 -8.078 -4.986 1.00 0.00 H new ATOM 0 HA THR A 72 -1.247 -6.635 -5.988 1.00 0.00 H new ATOM 0 HB THR A 72 -2.791 -5.497 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.566 -6.961 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.578 -7.075 -9.387 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.073 -6.840 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.032 -8.322 -8.242 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.812 -4.644 -4.568 1.00 0.00 N ATOM 1045 CA ILE A 73 -2.071 -3.459 -3.705 1.00 0.00 C ATOM 1046 C ILE A 73 -1.469 -2.204 -4.394 1.00 0.00 C ATOM 1047 O ILE A 73 -0.430 -2.288 -5.063 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.614 -3.677 -2.214 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.617 -3.040 -1.205 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.151 -3.252 -1.916 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.766 -3.767 0.141 1.00 0.00 C ATOM 0 H ILE A 73 -0.849 -4.702 -4.898 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.145 -3.300 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.626 -4.758 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.304 -2.014 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.597 -2.989 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.075 -3.438 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.530 -3.829 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.030 -2.190 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.488 -3.237 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.115 -4.785 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.802 -3.795 0.648 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.145 -1.048 -4.252 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.755 0.224 -4.918 1.00 0.00 C ATOM 1065 C ASP A 74 -1.266 1.233 -3.842 1.00 0.00 C ATOM 1066 O ASP A 74 -1.320 0.966 -2.633 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.918 0.794 -5.784 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.341 0.519 -5.269 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.556 0.557 -4.037 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.247 0.272 -6.095 1.00 0.00 O ATOM 0 H ASP A 74 -2.980 -0.963 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.934 0.034 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.786 1.873 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.831 0.382 -6.789 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.812 2.415 -4.300 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.302 3.493 -3.406 1.00 0.00 C ATOM 1077 C PHE A 75 -1.478 4.053 -2.562 1.00 0.00 C ATOM 1078 O PHE A 75 -1.278 4.505 -1.427 1.00 0.00 O ATOM 1079 CB PHE A 75 0.406 4.591 -4.253 1.00 0.00 C ATOM 1080 CG PHE A 75 1.266 5.596 -3.461 1.00 0.00 C ATOM 1081 CD1 PHE A 75 0.772 6.186 -2.291 1.00 0.00 C ATOM 1082 CD2 PHE A 75 2.540 5.954 -3.920 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.510 7.166 -1.632 1.00 0.00 C ATOM 1084 CE2 PHE A 75 3.254 6.970 -3.287 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.747 7.560 -2.132 1.00 0.00 C ATOM 0 H PHE A 75 -0.785 2.657 -5.291 1.00 0.00 H new ATOM 0 HA PHE A 75 0.442 3.098 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.040 4.101 -4.992 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.354 5.146 -4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.186 5.879 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.971 5.441 -4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.122 7.620 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.200 7.299 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.315 8.325 -1.623 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.694 4.048 -3.140 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.898 4.653 -2.509 1.00 0.00 C ATOM 1097 C GLU A 76 -4.276 3.829 -1.246 1.00 0.00 C ATOM 1098 O GLU A 76 -4.187 4.329 -0.118 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.063 4.759 -3.535 1.00 0.00 C ATOM 1100 CG GLU A 76 -4.933 5.846 -4.629 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.182 5.384 -5.882 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -4.825 4.836 -6.805 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -2.946 5.563 -5.947 1.00 0.00 O ATOM 0 H GLU A 76 -2.876 3.629 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.683 5.673 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.171 3.793 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.986 4.941 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.931 6.177 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.419 6.710 -4.208 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.715 2.574 -1.467 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.029 1.621 -0.368 1.00 0.00 C ATOM 1112 C GLU A 77 -3.799 1.521 0.577 1.00 0.00 C ATOM 1113 O GLU A 77 -3.950 1.242 1.774 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.473 0.240 -0.932 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.569 -0.514 -0.139 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.721 -1.987 -0.530 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.920 -2.824 -0.056 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.643 -2.315 -1.308 1.00 0.00 O ATOM 0 H GLU A 77 -4.863 2.189 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.875 1.988 0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.831 0.387 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.594 -0.402 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.340 -0.453 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.523 -0.009 -0.289 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.588 1.718 0.022 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.314 1.560 0.776 1.00 0.00 C ATOM 1127 C PHE A 78 -1.263 2.618 1.911 1.00 0.00 C ATOM 1128 O PHE A 78 -0.835 2.317 3.033 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.100 1.663 -0.196 1.00 0.00 C ATOM 1130 CG PHE A 78 1.221 2.137 0.441 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.031 1.236 1.142 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.642 3.466 0.300 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.266 1.641 1.643 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.876 3.870 0.807 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.680 2.961 1.489 1.00 0.00 C ATOM 0 H PHE A 78 -2.457 1.989 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.263 0.574 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.065 0.685 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.360 2.348 -1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.696 0.221 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.008 4.180 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.902 0.931 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.208 4.888 0.671 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.627 3.280 1.899 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.699 3.853 1.603 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.746 4.968 2.586 1.00 0.00 C ATOM 1147 C LEU A 79 -2.865 4.659 3.619 1.00 0.00 C ATOM 1148 O LEU A 79 -2.744 5.007 4.800 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.975 6.326 1.858 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.866 6.807 0.876 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.427 7.723 -0.230 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.278 7.525 1.620 1.00 0.00 C ATOM 0 H LEU A 79 -2.028 4.113 0.673 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.796 5.055 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.910 6.257 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.111 7.097 2.617 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.467 5.910 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.618 8.034 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.177 7.181 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.883 8.603 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.033 7.846 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.118 8.395 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.729 6.842 2.340 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.955 4.022 3.153 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.159 3.751 3.984 1.00 0.00 C ATOM 1166 C VAL A 80 -4.727 2.817 5.146 1.00 0.00 C ATOM 1167 O VAL A 80 -5.215 2.950 6.276 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.349 3.188 3.128 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.440 2.510 3.991 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.037 4.242 2.225 1.00 0.00 C ATOM 0 H VAL A 80 -4.033 3.679 2.196 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.551 4.676 4.406 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.867 2.449 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.237 2.140 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.003 1.677 4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.850 3.235 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.847 3.771 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.440 5.044 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.308 4.654 1.527 1.00 0.00 H new ATOM 1180 N MET A 81 -3.814 1.873 4.851 1.00 0.00 N ATOM 1181 CA MET A 81 -3.379 0.827 5.815 1.00 0.00 C ATOM 1182 C MET A 81 -2.514 1.502 6.914 1.00 0.00 C ATOM 1183 O MET A 81 -2.564 1.109 8.086 1.00 0.00 O ATOM 1184 CB MET A 81 -2.620 -0.319 5.088 1.00 0.00 C ATOM 1185 CG MET A 81 -1.085 -0.297 5.218 1.00 0.00 C ATOM 1186 SD MET A 81 -0.546 -1.468 6.484 1.00 0.00 S ATOM 1187 CE MET A 81 -0.239 -2.946 5.496 1.00 0.00 C ATOM 0 H MET A 81 -3.354 1.808 3.943 1.00 0.00 H new ATOM 0 HA MET A 81 -4.247 0.365 6.285 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.984 -1.271 5.473 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.876 -0.284 4.029 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.629 -0.550 4.261 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.749 0.708 5.476 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.586 -3.510 5.932 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.135 -3.567 5.481 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.018 -2.656 4.477 1.00 0.00 H new ATOM 1197 N MET A 82 -1.733 2.524 6.516 1.00 0.00 N ATOM 1198 CA MET A 82 -0.788 3.223 7.429 1.00 0.00 C ATOM 1199 C MET A 82 -1.621 3.948 8.521 1.00 0.00 C ATOM 1200 O MET A 82 -1.486 3.660 9.716 1.00 0.00 O ATOM 1201 CB MET A 82 0.132 4.198 6.644 1.00 0.00 C ATOM 1202 CG MET A 82 0.993 3.564 5.535 1.00 0.00 C ATOM 1203 SD MET A 82 2.726 3.506 6.042 1.00 0.00 S ATOM 1204 CE MET A 82 2.584 2.872 7.725 1.00 0.00 C ATOM 0 H MET A 82 -1.733 2.891 5.564 1.00 0.00 H new ATOM 0 HA MET A 82 -0.122 2.505 7.907 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.490 4.973 6.196 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.795 4.692 7.354 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.636 2.557 5.319 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.895 4.140 4.615 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.574 2.616 8.102 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.138 3.634 8.364 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.954 1.983 7.727 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.488 4.883 8.089 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.368 5.667 8.997 1.00 0.00 C ATOM 1216 C VAL A 83 -4.049 4.682 9.988 1.00 0.00 C ATOM 1217 O VAL A 83 -4.409 5.075 11.107 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.387 6.556 8.196 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.442 7.227 9.108 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.725 7.659 7.333 1.00 0.00 C ATOM 0 H VAL A 83 -2.603 5.121 7.104 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.776 6.378 9.574 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.872 5.843 7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.119 7.828 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.011 6.459 9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.941 7.867 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.497 8.227 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.152 8.329 7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.059 7.199 6.603 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.203 3.407 9.584 1.00 0.00 N ATOM 1231 CA ARG A 84 -4.852 2.352 10.411 1.00 0.00 C ATOM 1232 C ARG A 84 -3.968 2.028 11.647 1.00 0.00 C ATOM 1233 O ARG A 84 -4.352 2.322 12.790 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.104 1.072 9.560 1.00 0.00 C ATOM 1235 CG ARG A 84 -6.519 0.464 9.700 1.00 0.00 C ATOM 1236 CD ARG A 84 -6.659 -0.898 8.994 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.386 -0.781 7.704 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.320 -1.650 7.266 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -9.125 -2.299 8.100 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.460 -1.876 5.969 1.00 0.00 N ATOM 0 H ARG A 84 -3.883 3.071 8.675 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.816 2.720 10.761 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.929 1.311 8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.370 0.316 9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.755 0.345 10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.250 1.159 9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.669 -1.318 8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.187 -1.593 9.647 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.163 0.014 7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.047 -2.147 9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.821 -2.949 7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.861 -1.393 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.167 -2.533 5.639 1.00 0.00 H new ATOM 1254 N GLN A 85 -2.804 1.394 11.417 1.00 0.00 N ATOM 1255 CA GLN A 85 -1.923 0.883 12.503 1.00 0.00 C ATOM 1256 C GLN A 85 -1.367 2.075 13.332 1.00 0.00 C ATOM 1257 O GLN A 85 -1.487 2.107 14.563 1.00 0.00 O ATOM 1258 CB GLN A 85 -0.775 0.020 11.902 1.00 0.00 C ATOM 1259 CG GLN A 85 -0.477 -1.314 12.628 1.00 0.00 C ATOM 1260 CD GLN A 85 0.340 -2.315 11.793 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.207 -3.228 11.176 1.00 0.00 O ATOM 1262 NE2 GLN A 85 1.656 -2.172 11.757 1.00 0.00 N ATOM 0 H GLN A 85 -2.442 1.218 10.480 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.501 0.245 13.172 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.020 -0.202 10.863 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.136 0.618 11.894 1.00 0.00 H new ATOM 0 HG2 GLN A 85 0.063 -1.100 13.550 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.421 -1.779 12.912 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.101 -1.412 12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.225 -2.822 11.214 1.00 0.00 H new ATOM 1271 N MET A 86 -0.717 3.027 12.638 1.00 0.00 N ATOM 1272 CA MET A 86 -0.049 4.212 13.243 1.00 0.00 C ATOM 1273 C MET A 86 -0.916 4.749 14.414 1.00 0.00 C ATOM 1274 O MET A 86 -0.378 5.196 15.436 1.00 0.00 O ATOM 1275 CB MET A 86 0.213 5.301 12.162 1.00 0.00 C ATOM 1276 CG MET A 86 1.683 5.484 11.738 1.00 0.00 C ATOM 1277 SD MET A 86 2.271 7.129 12.202 1.00 0.00 S ATOM 1278 CE MET A 86 3.924 7.132 11.477 1.00 0.00 C ATOM 0 H MET A 86 -0.635 3.001 11.622 1.00 0.00 H new ATOM 0 HA MET A 86 0.922 3.923 13.645 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.373 5.056 11.276 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.159 6.255 12.536 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.302 4.722 12.211 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.777 5.347 10.661 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.410 8.086 11.682 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.513 6.324 11.911 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.849 6.988 10.399 1.00 0.00 H new ATOM 1288 N LYS A 87 -2.252 4.668 14.260 1.00 0.00 N ATOM 1289 CA LYS A 87 -3.214 5.129 15.299 1.00 0.00 C ATOM 1290 C LYS A 87 -2.920 4.338 16.604 1.00 0.00 C ATOM 1291 O LYS A 87 -2.500 4.917 17.612 1.00 0.00 O ATOM 1292 CB LYS A 87 -4.685 4.944 14.827 1.00 0.00 C ATOM 1293 CG LYS A 87 -5.517 6.235 14.632 1.00 0.00 C ATOM 1294 CD LYS A 87 -5.683 7.130 15.880 1.00 0.00 C ATOM 1295 CE LYS A 87 -7.123 7.222 16.422 1.00 0.00 C ATOM 1296 NZ LYS A 87 -7.537 6.001 17.136 1.00 0.00 N ATOM 0 H LYS A 87 -2.698 4.287 13.425 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.089 6.196 15.483 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.674 4.400 13.883 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.199 4.314 15.552 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.052 6.827 13.844 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.508 5.954 14.277 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.036 6.751 16.671 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.336 8.135 15.638 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.201 8.076 17.095 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.808 7.405 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.512 6.114 17.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.490 5.188 16.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.902 5.838 17.943 1.00 0.00 H new ATOM 1310 N GLU A 88 -3.135 3.010 16.561 1.00 0.00 N ATOM 1311 CA GLU A 88 -2.896 2.102 17.715 1.00 0.00 C ATOM 1312 C GLU A 88 -3.536 2.718 18.988 1.00 0.00 C ATOM 1313 O GLU A 88 -4.744 2.566 19.221 1.00 0.00 O ATOM 1314 CB GLU A 88 -1.375 1.803 17.870 1.00 0.00 C ATOM 1315 CG GLU A 88 -0.823 0.573 17.110 1.00 0.00 C ATOM 1316 CD GLU A 88 0.201 -0.242 17.904 1.00 0.00 C ATOM 1317 OE1 GLU A 88 0.901 0.338 18.764 1.00 0.00 O ATOM 1318 OE2 GLU A 88 0.315 -1.466 17.669 1.00 0.00 O ATOM 0 H GLU A 88 -3.479 2.530 15.729 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.373 1.137 17.545 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.821 2.682 17.541 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.162 1.671 18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.655 -0.076 16.837 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.363 0.909 16.181 1.00 0.00 H new ATOM 1325 N ASP A 89 -2.715 3.391 19.815 1.00 0.00 N ATOM 1326 CA ASP A 89 -3.159 3.981 21.106 1.00 0.00 C ATOM 1327 C ASP A 89 -3.273 2.844 22.158 1.00 0.00 C ATOM 1328 O ASP A 89 -4.360 2.300 22.385 1.00 0.00 O ATOM 1329 CB ASP A 89 -4.482 4.785 20.946 1.00 0.00 C ATOM 1330 CG ASP A 89 -4.783 5.815 22.049 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -4.372 5.597 23.211 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -5.425 6.847 21.754 1.00 0.00 O ATOM 0 H ASP A 89 -1.727 3.545 19.614 1.00 0.00 H new ATOM 0 HA ASP A 89 -2.421 4.704 21.453 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.454 5.305 19.989 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.310 4.078 20.901 1.00 0.00 H new ATOM 1337 N ALA A 90 -2.130 2.480 22.767 1.00 0.00 N ATOM 1338 CA ALA A 90 -2.042 1.340 23.717 1.00 0.00 C ATOM 1339 C ALA A 90 -2.340 0.035 22.954 1.00 0.00 C ATOM 1340 O ALA A 90 -1.526 -0.337 22.052 1.00 0.00 O ATOM 1341 CB ALA A 90 -2.998 1.544 24.911 1.00 0.00 C ATOM 1342 OXT ALA A 90 -3.378 -0.640 23.234 1.00 0.00 O ATOM 0 H ALA A 90 -1.242 2.960 22.620 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.036 1.280 24.133 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.915 0.697 25.592 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.732 2.460 25.438 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.023 1.619 24.548 1.00 0.00 H new TER 1348 ALA A 90