USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=20 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 6 GLN :FLIP amide:sc= -0.176 F(o=-0.74,f=-0.18) USER MOD Single : A 1 ALA N :NH3+ -145:sc= 0.0496 (180deg=0) USER MOD Single : A 3 MET CE :methyl -179:sc= -0.208 (180deg=-0.223) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.176 F(o=-1.1,f=-0.18) USER MOD Single : A 15 SER OG : rot 180:sc= -1.75! USER MOD Single : A 18 MET CE :methyl -174:sc= 0 (180deg=-0.0233) 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 -150:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0394) USER MOD Single : A 44 THR OG1 : rot 69:sc= 1.07 USER MOD Single : A 46 MET CE :methyl -165:sc= -0.26 (180deg=-0.819) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -29:sc= 0.0672! USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= -0.209 (180deg=-1.14!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.828! USER MOD Single : A 81 MET CE :methyl -158:sc= -2.66 (180deg=-5.92!) USER MOD Single : A 82 MET CE :methyl -164:sc= 0 (180deg=-0.186) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 86 MET CE :methyl 167:sc= -0.0397 (180deg=-0.217) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.258 -3.980 -11.177 1.00 0.00 N ATOM 2 CA ALA A 1 -12.497 -4.172 -9.719 1.00 0.00 C ATOM 3 C ALA A 1 -11.350 -3.540 -8.929 1.00 0.00 C ATOM 4 O ALA A 1 -10.716 -2.606 -9.379 1.00 0.00 O ATOM 5 CB ALA A 1 -12.568 -5.669 -9.409 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.167 -3.836 -11.662 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.652 -3.147 -11.323 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.788 -4.822 -11.566 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.437 -3.698 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.743 -5.812 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.384 -6.119 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.628 -6.144 -9.689 1.00 0.00 H new ATOM 13 N SER A 2 -11.077 -4.037 -7.754 1.00 0.00 N ATOM 14 CA SER A 2 -9.970 -3.459 -6.943 1.00 0.00 C ATOM 15 C SER A 2 -9.852 -4.213 -5.617 1.00 0.00 C ATOM 16 O SER A 2 -8.776 -4.362 -5.073 1.00 0.00 O ATOM 17 CB SER A 2 -10.260 -1.983 -6.668 1.00 0.00 C ATOM 18 OG SER A 2 -9.161 -1.199 -7.116 1.00 0.00 O ATOM 0 H SER A 2 -11.572 -4.817 -7.322 1.00 0.00 H new ATOM 0 HA SER A 2 -9.033 -3.551 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.173 -1.678 -7.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.424 -1.825 -5.602 1.00 0.00 H new ATOM 0 HG SER A 2 -9.343 -0.252 -6.943 1.00 0.00 H new ATOM 24 N MET A 3 -10.947 -4.687 -5.089 1.00 0.00 N ATOM 25 CA MET A 3 -10.889 -5.429 -3.796 1.00 0.00 C ATOM 26 C MET A 3 -11.277 -6.893 -4.025 1.00 0.00 C ATOM 27 O MET A 3 -10.445 -7.719 -4.323 1.00 0.00 O ATOM 28 CB MET A 3 -11.857 -4.789 -2.799 1.00 0.00 C ATOM 29 CG MET A 3 -11.199 -3.560 -2.167 1.00 0.00 C ATOM 30 SD MET A 3 -11.635 -3.476 -0.412 1.00 0.00 S ATOM 31 CE MET A 3 -10.058 -2.820 0.186 1.00 0.00 C ATOM 0 H MET A 3 -11.878 -4.593 -5.495 1.00 0.00 H new ATOM 0 HA MET A 3 -9.876 -5.385 -3.397 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.779 -4.502 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.128 -5.508 -2.026 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.116 -3.615 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.528 -2.655 -2.678 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.099 -2.705 1.269 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.255 -3.509 -0.075 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.869 -1.851 -0.275 1.00 0.00 H new ATOM 41 N THR A 4 -12.535 -7.210 -3.881 1.00 0.00 N ATOM 42 CA THR A 4 -13.006 -8.616 -4.082 1.00 0.00 C ATOM 43 C THR A 4 -12.147 -9.334 -5.130 1.00 0.00 C ATOM 44 O THR A 4 -11.761 -10.472 -4.953 1.00 0.00 O ATOM 45 CB THR A 4 -14.444 -8.570 -4.578 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.834 -9.860 -5.029 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.522 -7.570 -5.729 1.00 0.00 C ATOM 0 H THR A 4 -13.268 -6.547 -3.629 1.00 0.00 H new ATOM 0 HA THR A 4 -12.931 -9.157 -3.139 1.00 0.00 H new ATOM 0 HB THR A 4 -15.113 -8.264 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.761 -9.829 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.546 -7.521 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.217 -6.585 -5.376 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.859 -7.889 -6.534 1.00 0.00 H new ATOM 55 N ASP A 5 -11.850 -8.680 -6.220 1.00 0.00 N ATOM 56 CA ASP A 5 -11.020 -9.332 -7.274 1.00 0.00 C ATOM 57 C ASP A 5 -9.537 -9.090 -6.984 1.00 0.00 C ATOM 58 O ASP A 5 -8.728 -9.995 -7.051 1.00 0.00 O ATOM 59 CB ASP A 5 -11.377 -8.741 -8.641 1.00 0.00 C ATOM 60 CG ASP A 5 -12.302 -9.705 -9.387 1.00 0.00 C ATOM 61 OD1 ASP A 5 -13.377 -9.976 -8.877 1.00 0.00 O ATOM 62 OD2 ASP A 5 -11.920 -10.156 -10.454 1.00 0.00 O ATOM 0 H ASP A 5 -12.145 -7.726 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.216 -10.404 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.866 -7.775 -8.515 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.471 -8.567 -9.222 1.00 0.00 H new ATOM 67 N GLN A 6 -9.171 -7.880 -6.664 1.00 0.00 N ATOM 68 CA GLN A 6 -7.738 -7.587 -6.372 1.00 0.00 C ATOM 69 C GLN A 6 -7.436 -7.918 -4.910 1.00 0.00 C ATOM 70 O GLN A 6 -6.616 -8.764 -4.610 1.00 0.00 O ATOM 71 CB GLN A 6 -7.457 -6.104 -6.627 1.00 0.00 C ATOM 72 CG GLN A 6 -6.334 -5.964 -7.656 1.00 0.00 C ATOM 73 CD GLN A 6 -6.475 -4.629 -8.389 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.606 -3.529 -7.700 1.00 0.00 O flip ATOM 75 NE2 GLN A 6 -6.466 -4.586 -9.604 1.00 0.00 N flip ATOM 0 H GLN A 6 -9.801 -7.081 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.105 -8.194 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.359 -5.610 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.175 -5.612 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.364 -6.018 -7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.375 -6.788 -8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.364 -5.445 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.561 -3.691 -10.083 1.00 0.00 H new ATOM 84 N GLN A 7 -8.091 -7.257 -3.997 1.00 0.00 N ATOM 85 CA GLN A 7 -7.844 -7.529 -2.551 1.00 0.00 C ATOM 86 C GLN A 7 -7.922 -9.037 -2.284 1.00 0.00 C ATOM 87 O GLN A 7 -7.234 -9.557 -1.427 1.00 0.00 O ATOM 88 CB GLN A 7 -8.901 -6.793 -1.716 1.00 0.00 C ATOM 89 CG GLN A 7 -8.944 -7.358 -0.292 1.00 0.00 C ATOM 90 CD GLN A 7 -10.341 -7.919 -0.015 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.991 -8.522 -0.976 1.00 0.00 O flip ATOM 92 NE2 GLN A 7 -10.847 -7.811 1.085 1.00 0.00 N flip ATOM 0 H GLN A 7 -8.789 -6.538 -4.189 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.850 -7.176 -2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.672 -5.728 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.880 -6.895 -2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.195 -8.141 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.703 -6.577 0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.341 -7.341 1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.778 -8.191 1.258 1.00 0.00 H new ATOM 101 N ALA A 8 -8.754 -9.747 -2.999 1.00 0.00 N ATOM 102 CA ALA A 8 -8.867 -11.215 -2.763 1.00 0.00 C ATOM 103 C ALA A 8 -7.672 -11.938 -3.389 1.00 0.00 C ATOM 104 O ALA A 8 -6.869 -12.536 -2.703 1.00 0.00 O ATOM 105 CB ALA A 8 -10.161 -11.735 -3.389 1.00 0.00 C ATOM 0 H ALA A 8 -9.357 -9.376 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.878 -11.404 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.243 -12.808 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.013 -11.228 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.150 -11.540 -4.461 1.00 0.00 H new ATOM 111 N GLU A 9 -7.554 -11.897 -4.688 1.00 0.00 N ATOM 112 CA GLU A 9 -6.418 -12.593 -5.358 1.00 0.00 C ATOM 113 C GLU A 9 -5.123 -12.351 -4.576 1.00 0.00 C ATOM 114 O GLU A 9 -4.488 -13.276 -4.112 1.00 0.00 O ATOM 115 CB GLU A 9 -6.262 -12.059 -6.784 1.00 0.00 C ATOM 116 CG GLU A 9 -6.134 -13.234 -7.754 1.00 0.00 C ATOM 117 CD GLU A 9 -5.825 -12.709 -9.158 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.616 -11.514 -9.288 1.00 0.00 O ATOM 119 OE2 GLU A 9 -5.802 -13.511 -10.077 1.00 0.00 O ATOM 0 H GLU A 9 -8.195 -11.411 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.622 -13.663 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.122 -11.445 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.381 -11.420 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.342 -13.907 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.058 -13.811 -7.766 1.00 0.00 H new ATOM 126 N ALA A 10 -4.722 -11.118 -4.430 1.00 0.00 N ATOM 127 CA ALA A 10 -3.465 -10.829 -3.681 1.00 0.00 C ATOM 128 C ALA A 10 -3.542 -11.450 -2.284 1.00 0.00 C ATOM 129 O ALA A 10 -2.597 -12.051 -1.808 1.00 0.00 O ATOM 130 CB ALA A 10 -3.283 -9.315 -3.554 1.00 0.00 C ATOM 0 H ALA A 10 -5.209 -10.300 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.619 -11.255 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.364 -9.104 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.224 -8.871 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.131 -8.890 -3.017 1.00 0.00 H new ATOM 136 N ARG A 11 -4.655 -11.307 -1.617 1.00 0.00 N ATOM 137 CA ARG A 11 -4.788 -11.885 -0.249 1.00 0.00 C ATOM 138 C ARG A 11 -4.444 -13.377 -0.284 1.00 0.00 C ATOM 139 O ARG A 11 -3.926 -13.926 0.668 1.00 0.00 O ATOM 140 CB ARG A 11 -6.225 -11.703 0.248 1.00 0.00 C ATOM 141 CG ARG A 11 -6.444 -12.552 1.503 1.00 0.00 C ATOM 142 CD ARG A 11 -7.858 -12.319 2.042 1.00 0.00 C ATOM 143 NE ARG A 11 -8.499 -13.632 2.338 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.086 -13.827 3.486 1.00 0.00 C ATOM 145 NH1 ARG A 11 -10.196 -13.201 3.766 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.565 -14.650 4.355 1.00 0.00 N ATOM 0 H ARG A 11 -5.479 -10.814 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.103 -11.372 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.414 -10.653 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.930 -11.997 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.303 -13.607 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.707 -12.292 2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.819 -11.709 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.451 -11.769 1.312 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.478 -14.378 1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.605 -12.559 3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.655 -13.354 4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.698 -15.141 4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.025 -14.802 5.253 1.00 0.00 H new ATOM 160 N ALA A 12 -4.726 -14.037 -1.373 1.00 0.00 N ATOM 161 CA ALA A 12 -4.412 -15.491 -1.462 1.00 0.00 C ATOM 162 C ALA A 12 -2.998 -15.743 -0.934 1.00 0.00 C ATOM 163 O ALA A 12 -2.783 -16.585 -0.084 1.00 0.00 O ATOM 164 CB ALA A 12 -4.501 -15.942 -2.921 1.00 0.00 C ATOM 0 H ALA A 12 -5.159 -13.634 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.127 -16.054 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.272 -17.005 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.509 -15.764 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.786 -15.378 -3.520 1.00 0.00 H new ATOM 170 N PHE A 13 -2.031 -15.019 -1.430 1.00 0.00 N ATOM 171 CA PHE A 13 -0.632 -15.218 -0.957 1.00 0.00 C ATOM 172 C PHE A 13 -0.464 -14.589 0.428 1.00 0.00 C ATOM 173 O PHE A 13 0.235 -15.109 1.275 1.00 0.00 O ATOM 174 CB PHE A 13 0.338 -14.556 -1.941 1.00 0.00 C ATOM 175 CG PHE A 13 -0.207 -14.676 -3.343 1.00 0.00 C ATOM 176 CD1 PHE A 13 -0.521 -15.936 -3.867 1.00 0.00 C ATOM 177 CD2 PHE A 13 -0.400 -13.528 -4.121 1.00 0.00 C ATOM 178 CE1 PHE A 13 -1.028 -16.048 -5.166 1.00 0.00 C ATOM 179 CE2 PHE A 13 -0.907 -13.640 -5.421 1.00 0.00 C ATOM 180 CZ PHE A 13 -1.220 -14.900 -5.944 1.00 0.00 C ATOM 0 H PHE A 13 -2.150 -14.299 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.418 -16.285 -0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.476 -13.506 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.317 -15.031 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.372 -16.822 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.158 -12.556 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.271 -17.020 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.057 -12.754 -6.020 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.610 -14.987 -6.948 1.00 0.00 H new ATOM 190 N LEU A 14 -1.095 -13.472 0.666 1.00 0.00 N ATOM 191 CA LEU A 14 -0.967 -12.817 1.998 1.00 0.00 C ATOM 192 C LEU A 14 -1.854 -13.545 3.011 1.00 0.00 C ATOM 193 O LEU A 14 -2.942 -13.108 3.324 1.00 0.00 O ATOM 194 CB LEU A 14 -1.401 -11.352 1.893 1.00 0.00 C ATOM 195 CG LEU A 14 -0.671 -10.687 0.724 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.581 -9.637 0.083 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.603 -10.010 1.237 1.00 0.00 C ATOM 0 H LEU A 14 -1.692 -12.986 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 14 0.071 -12.862 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.479 -11.291 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.177 -10.827 2.822 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.410 -11.443 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.060 -9.164 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.489 -10.117 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.843 -8.881 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.124 -9.536 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.341 -9.255 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.253 -10.756 1.694 1.00 0.00 H new ATOM 209 N SER A 15 -1.395 -14.653 3.524 1.00 0.00 N ATOM 210 CA SER A 15 -2.210 -15.409 4.514 1.00 0.00 C ATOM 211 C SER A 15 -2.697 -14.456 5.608 1.00 0.00 C ATOM 212 O SER A 15 -2.269 -13.323 5.693 1.00 0.00 O ATOM 213 CB SER A 15 -1.355 -16.509 5.143 1.00 0.00 C ATOM 214 OG SER A 15 -0.101 -15.962 5.530 1.00 0.00 O ATOM 0 H SER A 15 -0.490 -15.067 3.300 1.00 0.00 H new ATOM 0 HA SER A 15 -3.068 -15.856 4.012 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.864 -16.931 6.009 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.207 -17.322 4.433 1.00 0.00 H new ATOM 0 HG SER A 15 0.451 -16.663 5.936 1.00 0.00 H new ATOM 220 N GLU A 16 -3.589 -14.907 6.447 1.00 0.00 N ATOM 221 CA GLU A 16 -4.101 -14.026 7.534 1.00 0.00 C ATOM 222 C GLU A 16 -2.979 -13.753 8.540 1.00 0.00 C ATOM 223 O GLU A 16 -3.118 -12.940 9.432 1.00 0.00 O ATOM 224 CB GLU A 16 -5.267 -14.721 8.242 1.00 0.00 C ATOM 225 CG GLU A 16 -6.264 -13.669 8.734 1.00 0.00 C ATOM 226 CD GLU A 16 -6.840 -14.104 10.082 1.00 0.00 C ATOM 227 OE1 GLU A 16 -6.244 -13.771 11.094 1.00 0.00 O ATOM 228 OE2 GLU A 16 -7.868 -14.761 10.081 1.00 0.00 O ATOM 0 H GLU A 16 -3.985 -15.847 6.427 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.444 -13.082 7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.760 -15.414 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.898 -15.309 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.770 -12.702 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.066 -13.545 8.007 1.00 0.00 H new ATOM 235 N GLU A 17 -1.868 -14.424 8.402 1.00 0.00 N ATOM 236 CA GLU A 17 -0.740 -14.201 9.349 1.00 0.00 C ATOM 237 C GLU A 17 0.168 -13.092 8.811 1.00 0.00 C ATOM 238 O GLU A 17 0.754 -12.337 9.562 1.00 0.00 O ATOM 239 CB GLU A 17 0.066 -15.494 9.493 1.00 0.00 C ATOM 240 CG GLU A 17 -0.744 -16.514 10.296 1.00 0.00 C ATOM 241 CD GLU A 17 -0.253 -17.926 9.970 1.00 0.00 C ATOM 242 OE1 GLU A 17 -0.308 -18.297 8.809 1.00 0.00 O ATOM 243 OE2 GLU A 17 0.169 -18.612 10.886 1.00 0.00 O ATOM 0 H GLU A 17 -1.693 -15.117 7.674 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.135 -13.907 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.305 -15.897 8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.013 -15.291 9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.639 -16.318 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.804 -16.422 10.057 1.00 0.00 H new ATOM 250 N MET A 18 0.294 -12.990 7.516 1.00 0.00 N ATOM 251 CA MET A 18 1.166 -11.933 6.932 1.00 0.00 C ATOM 252 C MET A 18 0.499 -10.565 7.096 1.00 0.00 C ATOM 253 O MET A 18 1.149 -9.577 7.376 1.00 0.00 O ATOM 254 CB MET A 18 1.388 -12.220 5.446 1.00 0.00 C ATOM 255 CG MET A 18 1.919 -13.645 5.274 1.00 0.00 C ATOM 256 SD MET A 18 3.582 -13.758 5.981 1.00 0.00 S ATOM 257 CE MET A 18 4.486 -13.173 4.527 1.00 0.00 C ATOM 0 H MET A 18 -0.170 -13.594 6.837 1.00 0.00 H new ATOM 0 HA MET A 18 2.125 -11.929 7.449 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.453 -12.100 4.898 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.096 -11.504 5.028 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.254 -14.354 5.766 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.943 -13.911 4.217 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.558 -13.262 4.705 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.210 -13.775 3.661 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.235 -12.129 4.338 1.00 0.00 H new ATOM 267 N ILE A 19 -0.794 -10.499 6.924 1.00 0.00 N ATOM 268 CA ILE A 19 -1.499 -9.193 7.071 1.00 0.00 C ATOM 269 C ILE A 19 -1.580 -8.825 8.552 1.00 0.00 C ATOM 270 O ILE A 19 -1.055 -7.818 8.984 1.00 0.00 O ATOM 271 CB ILE A 19 -2.916 -9.305 6.505 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.864 -9.938 5.114 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.541 -7.912 6.407 1.00 0.00 C ATOM 274 CD1 ILE A 19 -4.174 -10.681 4.853 1.00 0.00 C ATOM 0 H ILE A 19 -1.392 -11.291 6.689 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.949 -8.424 6.528 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.519 -9.928 7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.710 -9.169 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.021 -10.626 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.550 -7.994 6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.582 -7.461 7.398 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.937 -7.288 5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.144 -11.135 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.307 -11.459 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.007 -9.980 4.905 1.00 0.00 H new ATOM 286 N ALA A 20 -2.238 -9.636 9.330 1.00 0.00 N ATOM 287 CA ALA A 20 -2.361 -9.342 10.782 1.00 0.00 C ATOM 288 C ALA A 20 -0.985 -8.988 11.351 1.00 0.00 C ATOM 289 O ALA A 20 -0.852 -8.099 12.169 1.00 0.00 O ATOM 290 CB ALA A 20 -2.911 -10.575 11.498 1.00 0.00 C ATOM 0 H ALA A 20 -2.697 -10.493 9.021 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.038 -8.501 10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.004 -10.366 12.564 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.891 -10.825 11.091 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.232 -11.415 11.351 1.00 0.00 H new ATOM 296 N GLU A 21 0.040 -9.674 10.926 1.00 0.00 N ATOM 297 CA GLU A 21 1.406 -9.372 11.444 1.00 0.00 C ATOM 298 C GLU A 21 1.902 -8.057 10.838 1.00 0.00 C ATOM 299 O GLU A 21 2.616 -7.301 11.468 1.00 0.00 O ATOM 300 CB GLU A 21 2.361 -10.503 11.057 1.00 0.00 C ATOM 301 CG GLU A 21 2.136 -11.703 11.979 1.00 0.00 C ATOM 302 CD GLU A 21 2.276 -11.262 13.437 1.00 0.00 C ATOM 303 OE1 GLU A 21 3.330 -10.754 13.783 1.00 0.00 O ATOM 304 OE2 GLU A 21 1.327 -11.441 14.183 1.00 0.00 O ATOM 0 H GLU A 21 -0.008 -10.430 10.243 1.00 0.00 H new ATOM 0 HA GLU A 21 1.370 -9.282 12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.196 -10.793 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.394 -10.162 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.145 -12.124 11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.859 -12.488 11.755 1.00 0.00 H new ATOM 311 N PHE A 22 1.529 -7.781 9.618 1.00 0.00 N ATOM 312 CA PHE A 22 1.978 -6.517 8.965 1.00 0.00 C ATOM 313 C PHE A 22 1.215 -5.330 9.561 1.00 0.00 C ATOM 314 O PHE A 22 1.483 -4.188 9.244 1.00 0.00 O ATOM 315 CB PHE A 22 1.697 -6.597 7.463 1.00 0.00 C ATOM 316 CG PHE A 22 2.984 -6.855 6.716 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.063 -5.975 6.855 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.095 -7.974 5.883 1.00 0.00 C ATOM 319 CE1 PHE A 22 5.256 -6.214 6.160 1.00 0.00 C ATOM 320 CE2 PHE A 22 4.286 -8.213 5.187 1.00 0.00 C ATOM 321 CZ PHE A 22 5.367 -7.333 5.326 1.00 0.00 C ATOM 0 H PHE A 22 0.932 -8.377 9.044 1.00 0.00 H new ATOM 0 HA PHE A 22 3.046 -6.382 9.133 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.981 -7.394 7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.245 -5.667 7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.976 -5.112 7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.262 -8.653 5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.089 -5.535 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.371 -9.076 4.543 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.286 -7.518 4.790 1.00 0.00 H new ATOM 331 N LYS A 23 0.264 -5.590 10.417 1.00 0.00 N ATOM 332 CA LYS A 23 -0.516 -4.475 11.025 1.00 0.00 C ATOM 333 C LYS A 23 0.430 -3.546 11.791 1.00 0.00 C ATOM 334 O LYS A 23 0.301 -2.339 11.747 1.00 0.00 O ATOM 335 CB LYS A 23 -1.565 -5.048 11.983 1.00 0.00 C ATOM 336 CG LYS A 23 -0.891 -5.512 13.277 1.00 0.00 C ATOM 337 CD LYS A 23 -1.955 -6.007 14.260 1.00 0.00 C ATOM 338 CE LYS A 23 -1.278 -6.538 15.524 1.00 0.00 C ATOM 339 NZ LYS A 23 -1.736 -7.932 15.788 1.00 0.00 N ATOM 0 H LYS A 23 -0.006 -6.525 10.721 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.016 -3.910 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.318 -4.292 12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.082 -5.884 11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.180 -6.310 13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.326 -4.691 13.719 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.636 -5.195 14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.554 -6.792 13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.195 -6.517 15.405 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.518 -5.898 16.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.275 -8.292 16.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.768 -7.939 15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.485 -8.538 14.981 1.00 0.00 H new ATOM 353 N ALA A 24 1.380 -4.100 12.493 1.00 0.00 N ATOM 354 CA ALA A 24 2.331 -3.250 13.263 1.00 0.00 C ATOM 355 C ALA A 24 3.061 -2.299 12.310 1.00 0.00 C ATOM 356 O ALA A 24 3.527 -1.249 12.703 1.00 0.00 O ATOM 357 CB ALA A 24 3.351 -4.142 13.972 1.00 0.00 C ATOM 0 H ALA A 24 1.539 -5.105 12.567 1.00 0.00 H new ATOM 0 HA ALA A 24 1.779 -2.668 14.001 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.047 -3.521 14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.833 -4.817 14.653 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.901 -4.725 13.233 1.00 0.00 H new ATOM 363 N ALA A 25 3.167 -2.658 11.059 1.00 0.00 N ATOM 364 CA ALA A 25 3.870 -1.774 10.087 1.00 0.00 C ATOM 365 C ALA A 25 2.921 -0.672 9.611 1.00 0.00 C ATOM 366 O ALA A 25 3.219 0.502 9.713 1.00 0.00 O ATOM 367 CB ALA A 25 4.332 -2.604 8.887 1.00 0.00 C ATOM 0 H ALA A 25 2.797 -3.525 10.669 1.00 0.00 H new ATOM 0 HA ALA A 25 4.734 -1.320 10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.847 -1.959 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.012 -3.386 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.467 -3.059 8.405 1.00 0.00 H new ATOM 373 N PHE A 26 1.782 -1.037 9.090 1.00 0.00 N ATOM 374 CA PHE A 26 0.819 -0.005 8.606 1.00 0.00 C ATOM 375 C PHE A 26 0.720 1.123 9.635 1.00 0.00 C ATOM 376 O PHE A 26 0.954 2.276 9.332 1.00 0.00 O ATOM 377 CB PHE A 26 -0.559 -0.639 8.414 1.00 0.00 C ATOM 378 CG PHE A 26 -1.524 0.405 7.905 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.664 0.616 6.528 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.276 1.163 8.810 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.558 1.586 6.056 1.00 0.00 C ATOM 382 CE2 PHE A 26 -3.170 2.133 8.338 1.00 0.00 C ATOM 383 CZ PHE A 26 -3.310 2.345 6.961 1.00 0.00 C ATOM 0 H PHE A 26 1.476 -2.004 8.978 1.00 0.00 H new ATOM 0 HA PHE A 26 1.169 0.398 7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.496 -1.467 7.708 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.916 -1.052 9.357 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.083 0.031 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.167 1.000 9.872 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.667 1.748 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.751 2.717 9.036 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.998 3.094 6.597 1.00 0.00 H new ATOM 393 N ASP A 27 0.372 0.800 10.851 1.00 0.00 N ATOM 394 CA ASP A 27 0.253 1.852 11.899 1.00 0.00 C ATOM 395 C ASP A 27 1.542 2.675 11.946 1.00 0.00 C ATOM 396 O ASP A 27 1.514 3.890 11.979 1.00 0.00 O ATOM 397 CB ASP A 27 0.019 1.191 13.259 1.00 0.00 C ATOM 398 CG ASP A 27 -1.318 1.661 13.834 1.00 0.00 C ATOM 399 OD1 ASP A 27 -2.342 1.216 13.340 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.298 2.455 14.759 1.00 0.00 O ATOM 0 H ASP A 27 0.165 -0.149 11.164 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.586 2.507 11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.019 0.106 13.152 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.830 1.444 13.942 1.00 0.00 H new ATOM 405 N MET A 28 2.673 2.023 11.947 1.00 0.00 N ATOM 406 CA MET A 28 3.962 2.770 11.991 1.00 0.00 C ATOM 407 C MET A 28 3.913 3.929 10.995 1.00 0.00 C ATOM 408 O MET A 28 4.365 5.021 11.275 1.00 0.00 O ATOM 409 CB MET A 28 5.111 1.829 11.625 1.00 0.00 C ATOM 410 CG MET A 28 6.448 2.520 11.902 1.00 0.00 C ATOM 411 SD MET A 28 6.593 2.862 13.674 1.00 0.00 S ATOM 412 CE MET A 28 8.253 3.584 13.634 1.00 0.00 C ATOM 0 H MET A 28 2.760 1.007 11.919 1.00 0.00 H new ATOM 0 HA MET A 28 4.121 3.161 12.996 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.039 0.908 12.204 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.045 1.550 10.573 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.272 1.886 11.574 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.514 3.448 11.335 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.549 3.872 14.643 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.959 2.851 13.244 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.252 4.464 12.991 1.00 0.00 H new ATOM 422 N PHE A 29 3.365 3.701 9.833 1.00 0.00 N ATOM 423 CA PHE A 29 3.286 4.791 8.820 1.00 0.00 C ATOM 424 C PHE A 29 2.432 5.934 9.372 1.00 0.00 C ATOM 425 O PHE A 29 2.939 6.970 9.756 1.00 0.00 O ATOM 426 CB PHE A 29 2.651 4.251 7.538 1.00 0.00 C ATOM 427 CG PHE A 29 3.505 3.136 6.985 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.900 3.256 6.988 1.00 0.00 C ATOM 429 CD2 PHE A 29 2.903 1.982 6.469 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.693 2.223 6.477 1.00 0.00 C ATOM 431 CE2 PHE A 29 3.696 0.948 5.957 1.00 0.00 C ATOM 432 CZ PHE A 29 5.092 1.068 5.960 1.00 0.00 C ATOM 0 H PHE A 29 2.969 2.807 9.541 1.00 0.00 H new ATOM 0 HA PHE A 29 4.288 5.158 8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.645 3.885 7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.556 5.050 6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.364 4.147 7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.827 1.889 6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.769 2.316 6.481 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.232 0.058 5.560 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.704 0.271 5.564 1.00 0.00 H new ATOM 442 N ASP A 30 1.141 5.756 9.417 1.00 0.00 N ATOM 443 CA ASP A 30 0.261 6.832 9.949 1.00 0.00 C ATOM 444 C ASP A 30 0.625 7.109 11.408 1.00 0.00 C ATOM 445 O ASP A 30 0.972 6.212 12.150 1.00 0.00 O ATOM 446 CB ASP A 30 -1.200 6.387 9.863 1.00 0.00 C ATOM 447 CG ASP A 30 -2.100 7.614 9.710 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.752 8.650 10.252 1.00 0.00 O ATOM 449 OD2 ASP A 30 -3.121 7.496 9.053 1.00 0.00 O ATOM 0 H ASP A 30 0.658 4.912 9.108 1.00 0.00 H new ATOM 0 HA ASP A 30 0.398 7.739 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.337 5.715 9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.475 5.831 10.759 1.00 0.00 H new ATOM 454 N ALA A 31 0.552 8.342 11.825 1.00 0.00 N ATOM 455 CA ALA A 31 0.898 8.669 13.236 1.00 0.00 C ATOM 456 C ALA A 31 -0.350 9.165 13.968 1.00 0.00 C ATOM 457 O ALA A 31 -0.797 8.570 14.928 1.00 0.00 O ATOM 458 CB ALA A 31 1.972 9.760 13.257 1.00 0.00 C ATOM 0 H ALA A 31 0.268 9.136 11.251 1.00 0.00 H new ATOM 0 HA ALA A 31 1.277 7.776 13.733 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.226 10.000 14.289 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.862 9.405 12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.594 10.653 12.759 1.00 0.00 H new ATOM 464 N ASP A 32 -0.916 10.252 13.521 1.00 0.00 N ATOM 465 CA ASP A 32 -2.135 10.787 14.191 1.00 0.00 C ATOM 466 C ASP A 32 -3.127 9.648 14.435 1.00 0.00 C ATOM 467 O ASP A 32 -3.913 9.684 15.361 1.00 0.00 O ATOM 468 CB ASP A 32 -2.783 11.845 13.296 1.00 0.00 C ATOM 469 CG ASP A 32 -2.586 11.463 11.828 1.00 0.00 C ATOM 470 OD1 ASP A 32 -3.367 10.666 11.335 1.00 0.00 O ATOM 471 OD2 ASP A 32 -1.658 11.974 11.223 1.00 0.00 O ATOM 0 H ASP A 32 -0.587 10.793 12.721 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.858 11.236 15.145 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.846 11.926 13.522 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.340 12.822 13.491 1.00 0.00 H new ATOM 476 N GLY A 33 -3.099 8.636 13.611 1.00 0.00 N ATOM 477 CA GLY A 33 -4.043 7.497 13.797 1.00 0.00 C ATOM 478 C GLY A 33 -5.196 7.622 12.801 1.00 0.00 C ATOM 479 O GLY A 33 -6.318 7.254 13.085 1.00 0.00 O ATOM 0 H GLY A 33 -2.464 8.549 12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.522 6.551 13.649 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.428 7.493 14.817 1.00 0.00 H new ATOM 483 N GLY A 34 -4.930 8.144 11.635 1.00 0.00 N ATOM 484 CA GLY A 34 -6.010 8.298 10.620 1.00 0.00 C ATOM 485 C GLY A 34 -6.237 6.968 9.899 1.00 0.00 C ATOM 486 O GLY A 34 -7.009 6.883 8.964 1.00 0.00 O ATOM 0 H GLY A 34 -4.010 8.471 11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.932 8.622 11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.738 9.070 9.901 1.00 0.00 H new ATOM 490 N GLY A 35 -5.573 5.928 10.323 1.00 0.00 N ATOM 491 CA GLY A 35 -5.755 4.606 9.659 1.00 0.00 C ATOM 492 C GLY A 35 -5.716 4.786 8.140 1.00 0.00 C ATOM 493 O GLY A 35 -6.623 4.391 7.435 1.00 0.00 O ATOM 0 H GLY A 35 -4.912 5.936 11.100 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.970 3.918 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.705 4.165 9.959 1.00 0.00 H new ATOM 497 N ASP A 36 -4.671 5.377 7.630 1.00 0.00 N ATOM 498 CA ASP A 36 -4.572 5.580 6.158 1.00 0.00 C ATOM 499 C ASP A 36 -3.212 6.192 5.823 1.00 0.00 C ATOM 500 O ASP A 36 -2.546 6.750 6.672 1.00 0.00 O ATOM 501 CB ASP A 36 -5.685 6.523 5.694 1.00 0.00 C ATOM 502 CG ASP A 36 -6.781 5.714 4.997 1.00 0.00 C ATOM 503 OD1 ASP A 36 -6.583 5.350 3.850 1.00 0.00 O ATOM 504 OD2 ASP A 36 -7.801 5.473 5.623 1.00 0.00 O ATOM 0 H ASP A 36 -3.880 5.728 8.170 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.677 4.621 5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.101 7.060 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.281 7.272 5.012 1.00 0.00 H new ATOM 509 N ILE A 37 -2.791 6.092 4.591 1.00 0.00 N ATOM 510 CA ILE A 37 -1.470 6.667 4.208 1.00 0.00 C ATOM 511 C ILE A 37 -1.668 7.689 3.086 1.00 0.00 C ATOM 512 O ILE A 37 -2.442 7.482 2.172 1.00 0.00 O ATOM 513 CB ILE A 37 -0.536 5.555 3.716 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.983 4.205 4.289 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.894 5.848 4.173 1.00 0.00 C ATOM 516 CD1 ILE A 37 -0.213 3.077 3.597 1.00 0.00 C ATOM 0 H ILE A 37 -3.304 5.638 3.835 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.026 7.151 5.078 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.573 5.515 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.803 4.176 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.055 4.072 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.557 5.057 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.219 6.803 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.926 5.893 5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.530 2.117 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.415 3.102 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.856 3.208 3.768 1.00 0.00 H new ATOM 528 N SER A 38 -0.965 8.786 3.142 1.00 0.00 N ATOM 529 CA SER A 38 -1.101 9.815 2.074 1.00 0.00 C ATOM 530 C SER A 38 0.107 9.720 1.144 1.00 0.00 C ATOM 531 O SER A 38 1.081 9.061 1.449 1.00 0.00 O ATOM 532 CB SER A 38 -1.151 11.207 2.706 1.00 0.00 C ATOM 533 OG SER A 38 -1.811 11.129 3.962 1.00 0.00 O ATOM 0 H SER A 38 -0.301 9.014 3.882 1.00 0.00 H new ATOM 0 HA SER A 38 -2.019 9.645 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.141 11.596 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.677 11.899 2.048 1.00 0.00 H new ATOM 0 HG SER A 38 -1.843 12.019 4.370 1.00 0.00 H new ATOM 539 N THR A 39 0.063 10.369 0.015 1.00 0.00 N ATOM 540 CA THR A 39 1.225 10.298 -0.912 1.00 0.00 C ATOM 541 C THR A 39 2.508 10.556 -0.119 1.00 0.00 C ATOM 542 O THR A 39 3.581 10.131 -0.497 1.00 0.00 O ATOM 543 CB THR A 39 1.084 11.350 -2.014 1.00 0.00 C ATOM 544 OG1 THR A 39 1.437 12.625 -1.498 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.358 11.379 -2.519 1.00 0.00 C ATOM 0 H THR A 39 -0.719 10.940 -0.304 1.00 0.00 H new ATOM 0 HA THR A 39 1.263 9.310 -1.372 1.00 0.00 H new ATOM 0 HB THR A 39 1.747 11.098 -2.842 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.932 13.320 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.454 12.130 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.623 10.400 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.027 11.628 -1.695 1.00 0.00 H new ATOM 553 N LYS A 40 2.400 11.250 0.982 1.00 0.00 N ATOM 554 CA LYS A 40 3.606 11.539 1.808 1.00 0.00 C ATOM 555 C LYS A 40 4.328 10.230 2.136 1.00 0.00 C ATOM 556 O LYS A 40 5.238 9.825 1.444 1.00 0.00 O ATOM 557 CB LYS A 40 3.181 12.224 3.108 1.00 0.00 C ATOM 558 CG LYS A 40 3.529 13.713 3.039 1.00 0.00 C ATOM 559 CD LYS A 40 4.191 14.144 4.350 1.00 0.00 C ATOM 560 CE LYS A 40 5.706 13.965 4.240 1.00 0.00 C ATOM 561 NZ LYS A 40 6.286 15.107 3.478 1.00 0.00 N ATOM 0 H LYS A 40 1.526 11.630 1.345 1.00 0.00 H new ATOM 0 HA LYS A 40 4.277 12.194 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.110 12.097 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.684 11.761 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.200 13.902 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.628 14.300 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.952 15.185 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.803 13.550 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.150 13.914 5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.937 13.025 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.137 14.790 2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.586 15.459 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.541 15.870 4.137 1.00 0.00 H new ATOM 575 N GLU A 41 3.927 9.567 3.188 1.00 0.00 N ATOM 576 CA GLU A 41 4.590 8.284 3.561 1.00 0.00 C ATOM 577 C GLU A 41 4.625 7.355 2.345 1.00 0.00 C ATOM 578 O GLU A 41 5.421 6.440 2.271 1.00 0.00 O ATOM 579 CB GLU A 41 3.803 7.609 4.686 1.00 0.00 C ATOM 580 CG GLU A 41 4.257 8.167 6.036 1.00 0.00 C ATOM 581 CD GLU A 41 3.164 9.073 6.608 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.357 9.555 5.831 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.153 9.268 7.811 1.00 0.00 O ATOM 0 H GLU A 41 3.169 9.859 3.805 1.00 0.00 H new ATOM 0 HA GLU A 41 5.607 8.488 3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.735 7.781 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.958 6.531 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.466 7.350 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.184 8.728 5.916 1.00 0.00 H new ATOM 590 N LEU A 42 3.764 7.586 1.393 1.00 0.00 N ATOM 591 CA LEU A 42 3.737 6.722 0.179 1.00 0.00 C ATOM 592 C LEU A 42 5.167 6.436 -0.280 1.00 0.00 C ATOM 593 O LEU A 42 5.565 5.299 -0.433 1.00 0.00 O ATOM 594 CB LEU A 42 2.973 7.446 -0.931 1.00 0.00 C ATOM 595 CG LEU A 42 2.562 6.449 -2.015 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.809 5.927 -2.729 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.811 5.282 -1.371 1.00 0.00 C ATOM 0 H LEU A 42 3.075 8.338 1.403 1.00 0.00 H new ATOM 0 HA LEU A 42 3.242 5.778 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.089 7.933 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.596 8.229 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 42 1.914 6.943 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.515 5.216 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.342 6.760 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.460 5.431 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.517 4.569 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.459 4.787 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.922 5.657 -0.865 1.00 0.00 H new ATOM 609 N GLY A 43 5.944 7.457 -0.499 1.00 0.00 N ATOM 610 CA GLY A 43 7.348 7.242 -0.945 1.00 0.00 C ATOM 611 C GLY A 43 8.307 7.778 0.116 1.00 0.00 C ATOM 612 O GLY A 43 9.506 7.640 0.005 1.00 0.00 O ATOM 0 H GLY A 43 5.668 8.433 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.529 6.180 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.520 7.748 -1.895 1.00 0.00 H new ATOM 616 N THR A 44 7.793 8.393 1.142 1.00 0.00 N ATOM 617 CA THR A 44 8.687 8.940 2.198 1.00 0.00 C ATOM 618 C THR A 44 9.171 7.809 3.105 1.00 0.00 C ATOM 619 O THR A 44 10.082 7.983 3.887 1.00 0.00 O ATOM 620 CB THR A 44 7.925 9.972 3.031 1.00 0.00 C ATOM 621 OG1 THR A 44 7.365 10.954 2.168 1.00 0.00 O ATOM 622 CG2 THR A 44 8.884 10.642 4.016 1.00 0.00 C ATOM 0 H THR A 44 6.795 8.540 1.295 1.00 0.00 H new ATOM 0 HA THR A 44 9.547 9.416 1.727 1.00 0.00 H new ATOM 0 HB THR A 44 7.127 9.477 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.653 10.549 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.341 11.377 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.313 9.888 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.683 11.139 3.465 1.00 0.00 H new ATOM 630 N VAL A 45 8.575 6.649 3.016 1.00 0.00 N ATOM 631 CA VAL A 45 9.031 5.531 3.889 1.00 0.00 C ATOM 632 C VAL A 45 10.427 5.077 3.446 1.00 0.00 C ATOM 633 O VAL A 45 11.375 5.138 4.204 1.00 0.00 O ATOM 634 CB VAL A 45 8.040 4.359 3.819 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.756 3.981 2.363 1.00 0.00 C ATOM 636 CG2 VAL A 45 8.639 3.155 4.548 1.00 0.00 C ATOM 0 H VAL A 45 7.803 6.430 2.386 1.00 0.00 H new ATOM 0 HA VAL A 45 9.077 5.877 4.922 1.00 0.00 H new ATOM 0 HB VAL A 45 7.104 4.657 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.052 3.149 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.328 4.837 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.686 3.687 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.942 2.319 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.577 2.871 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.825 3.416 5.590 1.00 0.00 H new ATOM 646 N MET A 46 10.575 4.637 2.222 1.00 0.00 N ATOM 647 CA MET A 46 11.916 4.205 1.742 1.00 0.00 C ATOM 648 C MET A 46 12.619 5.397 1.100 1.00 0.00 C ATOM 649 O MET A 46 13.823 5.537 1.171 1.00 0.00 O ATOM 650 CB MET A 46 11.761 3.081 0.714 1.00 0.00 C ATOM 651 CG MET A 46 10.865 3.549 -0.436 1.00 0.00 C ATOM 652 SD MET A 46 9.642 2.268 -0.805 1.00 0.00 S ATOM 653 CE MET A 46 8.242 3.373 -1.110 1.00 0.00 C ATOM 0 H MET A 46 9.823 4.559 1.537 1.00 0.00 H new ATOM 0 HA MET A 46 12.506 3.837 2.581 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.739 2.790 0.330 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.329 2.199 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.364 4.479 -0.166 1.00 0.00 H new ATOM 0 HG3 MET A 46 11.468 3.757 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.316 2.799 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.206 4.138 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.360 3.849 -2.083 1.00 0.00 H new ATOM 663 N ARG A 47 11.870 6.263 0.478 1.00 0.00 N ATOM 664 CA ARG A 47 12.488 7.451 -0.165 1.00 0.00 C ATOM 665 C ARG A 47 12.579 8.586 0.857 1.00 0.00 C ATOM 666 O ARG A 47 12.888 9.710 0.521 1.00 0.00 O ATOM 667 CB ARG A 47 11.636 7.886 -1.359 1.00 0.00 C ATOM 668 CG ARG A 47 12.516 7.995 -2.604 1.00 0.00 C ATOM 669 CD ARG A 47 12.485 6.668 -3.365 1.00 0.00 C ATOM 670 NE ARG A 47 13.081 6.858 -4.717 1.00 0.00 N ATOM 671 CZ ARG A 47 12.848 5.987 -5.660 1.00 0.00 C ATOM 672 NH1 ARG A 47 11.676 5.948 -6.232 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.783 5.155 -6.028 1.00 0.00 N ATOM 0 H ARG A 47 10.856 6.198 0.388 1.00 0.00 H new ATOM 0 HA ARG A 47 13.490 7.203 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.836 7.166 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.163 8.846 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.161 8.803 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.539 8.240 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.039 5.908 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.459 6.312 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 47 13.671 7.669 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.945 6.597 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.491 5.268 -6.970 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.698 5.185 -5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.599 4.475 -6.765 1.00 0.00 H new ATOM 687 N MET A 48 12.327 8.296 2.108 1.00 0.00 N ATOM 688 CA MET A 48 12.415 9.357 3.154 1.00 0.00 C ATOM 689 C MET A 48 13.680 10.179 2.919 1.00 0.00 C ATOM 690 O MET A 48 13.760 11.334 3.287 1.00 0.00 O ATOM 691 CB MET A 48 12.490 8.707 4.538 1.00 0.00 C ATOM 692 CG MET A 48 11.727 9.567 5.545 1.00 0.00 C ATOM 693 SD MET A 48 11.163 8.530 6.917 1.00 0.00 S ATOM 694 CE MET A 48 12.730 8.479 7.822 1.00 0.00 C ATOM 0 H MET A 48 12.064 7.371 2.449 1.00 0.00 H new ATOM 0 HA MET A 48 11.535 9.999 3.101 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.065 7.704 4.504 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.530 8.602 4.847 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.369 10.365 5.918 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.875 10.043 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.610 7.879 8.724 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.500 8.035 7.191 1.00 0.00 H new ATOM 0 HE3 MET A 48 13.025 9.492 8.097 1.00 0.00 H new ATOM 704 N LEU A 49 14.665 9.567 2.316 1.00 0.00 N ATOM 705 CA LEU A 49 15.963 10.265 2.036 1.00 0.00 C ATOM 706 C LEU A 49 15.711 11.757 1.784 1.00 0.00 C ATOM 707 O LEU A 49 16.427 12.609 2.271 1.00 0.00 O ATOM 708 CB LEU A 49 16.638 9.650 0.798 1.00 0.00 C ATOM 709 CG LEU A 49 16.221 8.181 0.635 1.00 0.00 C ATOM 710 CD1 LEU A 49 17.007 7.542 -0.509 1.00 0.00 C ATOM 711 CD2 LEU A 49 16.500 7.413 1.932 1.00 0.00 C ATOM 0 H LEU A 49 14.628 8.598 1.999 1.00 0.00 H new ATOM 0 HA LEU A 49 16.616 10.146 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.361 10.214 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.722 9.718 0.895 1.00 0.00 H new ATOM 0 HG LEU A 49 15.155 8.140 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.707 6.500 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.802 8.079 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 49 18.074 7.591 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.202 6.372 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.564 7.461 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.932 7.859 2.748 1.00 0.00 H new ATOM 723 N GLY A 50 14.687 12.079 1.039 1.00 0.00 N ATOM 724 CA GLY A 50 14.379 13.514 0.770 1.00 0.00 C ATOM 725 C GLY A 50 15.043 13.960 -0.535 1.00 0.00 C ATOM 726 O GLY A 50 15.606 15.034 -0.617 1.00 0.00 O ATOM 0 H GLY A 50 14.051 11.410 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.300 13.656 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.733 14.131 1.596 1.00 0.00 H new ATOM 730 N GLN A 51 14.985 13.151 -1.558 1.00 0.00 N ATOM 731 CA GLN A 51 15.621 13.545 -2.849 1.00 0.00 C ATOM 732 C GLN A 51 14.737 13.127 -4.030 1.00 0.00 C ATOM 733 O GLN A 51 14.522 13.886 -4.953 1.00 0.00 O ATOM 734 CB GLN A 51 16.980 12.854 -2.972 1.00 0.00 C ATOM 735 CG GLN A 51 16.775 11.338 -3.045 1.00 0.00 C ATOM 736 CD GLN A 51 18.119 10.630 -2.866 1.00 0.00 C ATOM 737 OE1 GLN A 51 18.699 10.152 -3.821 1.00 0.00 O ATOM 738 NE2 GLN A 51 18.643 10.541 -1.673 1.00 0.00 N ATOM 0 H GLN A 51 14.528 12.239 -1.557 1.00 0.00 H new ATOM 0 HA GLN A 51 15.746 14.628 -2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 51 17.500 13.205 -3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 51 17.607 13.107 -2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 51 16.078 11.017 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 51 16.334 11.066 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.157 10.942 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.539 10.070 -1.543 1.00 0.00 H new ATOM 747 N ASN A 52 14.249 11.919 -4.021 1.00 0.00 N ATOM 748 CA ASN A 52 13.406 11.440 -5.156 1.00 0.00 C ATOM 749 C ASN A 52 11.894 11.649 -4.928 1.00 0.00 C ATOM 750 O ASN A 52 11.166 11.778 -5.891 1.00 0.00 O ATOM 751 CB ASN A 52 13.677 9.952 -5.382 1.00 0.00 C ATOM 752 CG ASN A 52 13.613 9.643 -6.880 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.567 9.311 -7.399 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.696 9.742 -7.601 1.00 0.00 N ATOM 0 H ASN A 52 14.397 11.239 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 52 13.679 12.033 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.657 9.686 -4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.943 9.352 -4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.664 9.540 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.575 10.021 -7.165 1.00 0.00 H new ATOM 761 N PRO A 53 11.439 11.652 -3.697 1.00 0.00 N ATOM 762 CA PRO A 53 10.004 11.813 -3.414 1.00 0.00 C ATOM 763 C PRO A 53 9.571 13.278 -3.524 1.00 0.00 C ATOM 764 O PRO A 53 10.353 14.190 -3.343 1.00 0.00 O ATOM 765 CB PRO A 53 9.864 11.316 -1.980 1.00 0.00 C ATOM 766 CG PRO A 53 11.259 11.445 -1.333 1.00 0.00 C ATOM 767 CD PRO A 53 12.272 11.499 -2.487 1.00 0.00 C ATOM 0 HA PRO A 53 9.377 11.269 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.128 11.907 -1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.521 10.282 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.321 12.344 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.462 10.598 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.963 12.334 -2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.874 10.591 -2.531 1.00 0.00 H new ATOM 775 N THR A 54 8.317 13.500 -3.814 1.00 0.00 N ATOM 776 CA THR A 54 7.796 14.886 -3.934 1.00 0.00 C ATOM 777 C THR A 54 6.287 14.852 -3.700 1.00 0.00 C ATOM 778 O THR A 54 5.661 13.815 -3.799 1.00 0.00 O ATOM 779 CB THR A 54 8.085 15.423 -5.335 1.00 0.00 C ATOM 780 OG1 THR A 54 9.412 15.081 -5.708 1.00 0.00 O ATOM 781 CG2 THR A 54 7.923 16.944 -5.345 1.00 0.00 C ATOM 0 H THR A 54 7.625 12.768 -3.974 1.00 0.00 H new ATOM 0 HA THR A 54 8.277 15.534 -3.201 1.00 0.00 H new ATOM 0 HB THR A 54 7.385 14.982 -6.045 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.970 15.010 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.130 17.325 -6.345 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.903 17.203 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.621 17.389 -4.636 1.00 0.00 H new ATOM 789 N LYS A 55 5.692 15.967 -3.390 1.00 0.00 N ATOM 790 CA LYS A 55 4.224 15.972 -3.150 1.00 0.00 C ATOM 791 C LYS A 55 3.499 15.493 -4.406 1.00 0.00 C ATOM 792 O LYS A 55 2.535 14.757 -4.338 1.00 0.00 O ATOM 793 CB LYS A 55 3.762 17.390 -2.818 1.00 0.00 C ATOM 794 CG LYS A 55 2.258 17.384 -2.542 1.00 0.00 C ATOM 795 CD LYS A 55 1.924 16.265 -1.553 1.00 0.00 C ATOM 796 CE LYS A 55 0.673 16.644 -0.759 1.00 0.00 C ATOM 797 NZ LYS A 55 0.954 17.855 0.063 1.00 0.00 N ATOM 0 H LYS A 55 6.155 16.871 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 55 3.996 15.308 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.301 17.765 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.988 18.061 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.948 18.347 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.708 17.238 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.759 15.330 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.762 16.101 -0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.157 16.837 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.373 15.817 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.426 17.798 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.973 17.909 0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.660 18.705 -0.459 1.00 0.00 H new ATOM 811 N GLU A 56 3.951 15.913 -5.553 1.00 0.00 N ATOM 812 CA GLU A 56 3.282 15.489 -6.813 1.00 0.00 C ATOM 813 C GLU A 56 3.942 14.216 -7.344 1.00 0.00 C ATOM 814 O GLU A 56 3.358 13.474 -8.109 1.00 0.00 O ATOM 815 CB GLU A 56 3.402 16.606 -7.854 1.00 0.00 C ATOM 816 CG GLU A 56 4.834 16.653 -8.395 1.00 0.00 C ATOM 817 CD GLU A 56 4.836 16.296 -9.884 1.00 0.00 C ATOM 818 OE1 GLU A 56 3.781 15.961 -10.397 1.00 0.00 O ATOM 819 OE2 GLU A 56 5.895 16.363 -10.486 1.00 0.00 O ATOM 0 H GLU A 56 4.754 16.531 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 56 2.229 15.290 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.700 16.434 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.140 17.564 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.255 17.648 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.464 15.956 -7.843 1.00 0.00 H new ATOM 826 N GLU A 57 5.159 13.960 -6.949 1.00 0.00 N ATOM 827 CA GLU A 57 5.858 12.740 -7.439 1.00 0.00 C ATOM 828 C GLU A 57 5.271 11.502 -6.759 1.00 0.00 C ATOM 829 O GLU A 57 5.316 10.411 -7.292 1.00 0.00 O ATOM 830 CB GLU A 57 7.350 12.839 -7.115 1.00 0.00 C ATOM 831 CG GLU A 57 8.105 11.732 -7.853 1.00 0.00 C ATOM 832 CD GLU A 57 8.510 12.229 -9.241 1.00 0.00 C ATOM 833 OE1 GLU A 57 9.564 12.837 -9.347 1.00 0.00 O ATOM 834 OE2 GLU A 57 7.760 11.995 -10.174 1.00 0.00 O ATOM 0 H GLU A 57 5.699 14.543 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 57 5.724 12.658 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.734 13.815 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.507 12.747 -6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.990 11.441 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.477 10.845 -7.941 1.00 0.00 H new ATOM 841 N LEU A 58 4.717 11.657 -5.589 1.00 0.00 N ATOM 842 CA LEU A 58 4.128 10.487 -4.886 1.00 0.00 C ATOM 843 C LEU A 58 2.671 10.324 -5.321 1.00 0.00 C ATOM 844 O LEU A 58 2.040 9.324 -5.047 1.00 0.00 O ATOM 845 CB LEU A 58 4.198 10.717 -3.372 1.00 0.00 C ATOM 846 CG LEU A 58 5.523 10.169 -2.815 1.00 0.00 C ATOM 847 CD1 LEU A 58 6.661 10.427 -3.807 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.843 10.869 -1.492 1.00 0.00 C ATOM 0 H LEU A 58 4.647 12.544 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 58 4.684 9.583 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.115 11.782 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.358 10.225 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 58 5.424 9.095 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.593 10.035 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.439 9.931 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.761 11.499 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.782 10.483 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.934 11.942 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.041 10.681 -0.778 1.00 0.00 H new ATOM 860 N ASP A 59 2.135 11.301 -6.004 1.00 0.00 N ATOM 861 CA ASP A 59 0.721 11.204 -6.462 1.00 0.00 C ATOM 862 C ASP A 59 0.632 10.241 -7.648 1.00 0.00 C ATOM 863 O ASP A 59 -0.216 9.372 -7.690 1.00 0.00 O ATOM 864 CB ASP A 59 0.228 12.587 -6.892 1.00 0.00 C ATOM 865 CG ASP A 59 -1.048 12.934 -6.124 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.962 13.121 -4.923 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.093 13.007 -6.753 1.00 0.00 O ATOM 0 H ASP A 59 2.617 12.162 -6.264 1.00 0.00 H new ATOM 0 HA ASP A 59 0.101 10.834 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.997 13.335 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.034 12.599 -7.965 1.00 0.00 H new ATOM 872 N ALA A 60 1.498 10.387 -8.616 1.00 0.00 N ATOM 873 CA ALA A 60 1.458 9.478 -9.797 1.00 0.00 C ATOM 874 C ALA A 60 1.255 8.038 -9.320 1.00 0.00 C ATOM 875 O ALA A 60 0.505 7.280 -9.903 1.00 0.00 O ATOM 876 CB ALA A 60 2.778 9.579 -10.566 1.00 0.00 C ATOM 0 H ALA A 60 2.231 11.096 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 60 0.635 9.766 -10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.748 8.914 -11.429 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.925 10.605 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.602 9.290 -9.914 1.00 0.00 H new ATOM 882 N ILE A 61 1.916 7.660 -8.261 1.00 0.00 N ATOM 883 CA ILE A 61 1.759 6.272 -7.739 1.00 0.00 C ATOM 884 C ILE A 61 0.529 6.215 -6.835 1.00 0.00 C ATOM 885 O ILE A 61 -0.147 5.209 -6.749 1.00 0.00 O ATOM 886 CB ILE A 61 2.995 5.886 -6.925 1.00 0.00 C ATOM 887 CG1 ILE A 61 4.221 6.608 -7.481 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.216 4.377 -7.005 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.572 7.774 -6.561 1.00 0.00 C ATOM 0 H ILE A 61 2.558 8.252 -7.734 1.00 0.00 H new ATOM 0 HA ILE A 61 1.642 5.581 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 61 2.842 6.174 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.063 5.919 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.019 6.971 -8.489 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.098 4.107 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.344 3.860 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.364 4.086 -8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.447 8.295 -6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.730 8.465 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.790 7.396 -5.562 1.00 0.00 H new ATOM 901 N ILE A 62 0.235 7.290 -6.155 1.00 0.00 N ATOM 902 CA ILE A 62 -0.947 7.296 -5.253 1.00 0.00 C ATOM 903 C ILE A 62 -2.227 7.349 -6.094 1.00 0.00 C ATOM 904 O ILE A 62 -3.318 7.283 -5.571 1.00 0.00 O ATOM 905 CB ILE A 62 -0.855 8.510 -4.301 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.776 8.006 -2.857 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.074 9.438 -4.448 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.161 7.559 -2.382 1.00 0.00 C ATOM 0 H ILE A 62 0.763 8.162 -6.186 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.968 6.387 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 62 0.037 9.081 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.074 7.175 -2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.397 8.795 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.975 10.280 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.129 9.807 -5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.983 8.885 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.095 7.202 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.852 8.401 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.524 6.755 -3.023 1.00 0.00 H new ATOM 920 N GLU A 63 -2.102 7.477 -7.387 1.00 0.00 N ATOM 921 CA GLU A 63 -3.316 7.544 -8.250 1.00 0.00 C ATOM 922 C GLU A 63 -3.763 6.128 -8.614 1.00 0.00 C ATOM 923 O GLU A 63 -4.902 5.754 -8.413 1.00 0.00 O ATOM 924 CB GLU A 63 -2.989 8.323 -9.527 1.00 0.00 C ATOM 925 CG GLU A 63 -2.936 9.820 -9.213 1.00 0.00 C ATOM 926 CD GLU A 63 -2.488 10.588 -10.459 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.204 10.546 -11.446 1.00 0.00 O ATOM 928 OE2 GLU A 63 -1.436 11.204 -10.405 1.00 0.00 O ATOM 0 H GLU A 63 -1.213 7.538 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.118 8.049 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.033 7.992 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.744 8.127 -10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.917 10.170 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.245 10.006 -8.391 1.00 0.00 H new ATOM 935 N GLU A 64 -2.874 5.335 -9.146 1.00 0.00 N ATOM 936 CA GLU A 64 -3.246 3.942 -9.521 1.00 0.00 C ATOM 937 C GLU A 64 -3.944 3.267 -8.338 1.00 0.00 C ATOM 938 O GLU A 64 -4.680 2.312 -8.500 1.00 0.00 O ATOM 939 CB GLU A 64 -1.982 3.159 -9.879 1.00 0.00 C ATOM 940 CG GLU A 64 -1.135 2.958 -8.621 1.00 0.00 C ATOM 941 CD GLU A 64 0.310 2.651 -9.020 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.576 1.516 -9.379 1.00 0.00 O ATOM 943 OE2 GLU A 64 1.125 3.556 -8.959 1.00 0.00 O ATOM 0 H GLU A 64 -1.906 5.592 -9.337 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.919 3.962 -10.379 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.249 2.194 -10.309 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.409 3.697 -10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.169 3.853 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.540 2.141 -8.024 1.00 0.00 H new ATOM 950 N VAL A 65 -3.716 3.753 -7.150 1.00 0.00 N ATOM 951 CA VAL A 65 -4.360 3.144 -5.953 1.00 0.00 C ATOM 952 C VAL A 65 -5.302 4.164 -5.307 1.00 0.00 C ATOM 953 O VAL A 65 -6.170 3.814 -4.532 1.00 0.00 O ATOM 954 CB VAL A 65 -3.284 2.726 -4.947 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.706 3.967 -4.264 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.904 1.805 -3.893 1.00 0.00 C ATOM 0 H VAL A 65 -3.109 4.549 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.930 2.265 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.486 2.198 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.941 3.665 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.264 4.622 -5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.501 4.499 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.139 1.506 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.703 2.333 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.312 0.919 -4.379 1.00 0.00 H new ATOM 966 N ASP A 66 -5.125 5.423 -5.620 1.00 0.00 N ATOM 967 CA ASP A 66 -5.995 6.487 -5.030 1.00 0.00 C ATOM 968 C ASP A 66 -7.433 5.974 -4.892 1.00 0.00 C ATOM 969 O ASP A 66 -8.120 6.290 -3.941 1.00 0.00 O ATOM 970 CB ASP A 66 -5.972 7.730 -5.939 1.00 0.00 C ATOM 971 CG ASP A 66 -7.208 8.598 -5.685 1.00 0.00 C ATOM 972 OD1 ASP A 66 -8.295 8.162 -6.029 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.047 9.684 -5.152 1.00 0.00 O ATOM 0 H ASP A 66 -4.410 5.762 -6.264 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.618 6.751 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.068 8.309 -5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.943 7.424 -6.985 1.00 0.00 H new ATOM 978 N GLU A 67 -7.899 5.190 -5.826 1.00 0.00 N ATOM 979 CA GLU A 67 -9.294 4.682 -5.719 1.00 0.00 C ATOM 980 C GLU A 67 -9.461 3.961 -4.380 1.00 0.00 C ATOM 981 O GLU A 67 -8.607 3.205 -3.961 1.00 0.00 O ATOM 982 CB GLU A 67 -9.572 3.707 -6.865 1.00 0.00 C ATOM 983 CG GLU A 67 -9.709 4.485 -8.175 1.00 0.00 C ATOM 984 CD GLU A 67 -9.243 3.611 -9.341 1.00 0.00 C ATOM 985 OE1 GLU A 67 -8.718 2.540 -9.082 1.00 0.00 O ATOM 986 OE2 GLU A 67 -9.420 4.027 -10.475 1.00 0.00 O ATOM 0 H GLU A 67 -7.380 4.883 -6.649 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.995 5.514 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.762 2.981 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.485 3.146 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.746 4.786 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.115 5.398 -8.131 1.00 0.00 H new ATOM 993 N ASP A 68 -10.555 4.186 -3.707 1.00 0.00 N ATOM 994 CA ASP A 68 -10.775 3.511 -2.397 1.00 0.00 C ATOM 995 C ASP A 68 -12.091 3.999 -1.791 1.00 0.00 C ATOM 996 O ASP A 68 -13.033 3.251 -1.627 1.00 0.00 O ATOM 997 CB ASP A 68 -9.622 3.848 -1.451 1.00 0.00 C ATOM 998 CG ASP A 68 -9.322 2.641 -0.559 1.00 0.00 C ATOM 999 OD1 ASP A 68 -10.019 2.470 0.427 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.401 1.909 -0.879 1.00 0.00 O ATOM 0 H ASP A 68 -11.306 4.808 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.819 2.432 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.735 4.119 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.881 4.711 -0.838 1.00 0.00 H new ATOM 1005 N GLY A 69 -12.151 5.260 -1.459 1.00 0.00 N ATOM 1006 CA GLY A 69 -13.390 5.827 -0.857 1.00 0.00 C ATOM 1007 C GLY A 69 -13.226 7.341 -0.707 1.00 0.00 C ATOM 1008 O GLY A 69 -14.165 8.097 -0.855 1.00 0.00 O ATOM 0 H GLY A 69 -11.388 5.926 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.251 5.603 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.579 5.371 0.115 1.00 0.00 H new ATOM 1012 N SER A 70 -12.032 7.790 -0.419 1.00 0.00 N ATOM 1013 CA SER A 70 -11.800 9.254 -0.267 1.00 0.00 C ATOM 1014 C SER A 70 -10.727 9.702 -1.261 1.00 0.00 C ATOM 1015 O SER A 70 -10.750 10.811 -1.757 1.00 0.00 O ATOM 1016 CB SER A 70 -11.331 9.552 1.158 1.00 0.00 C ATOM 1017 OG SER A 70 -12.087 10.635 1.683 1.00 0.00 O ATOM 0 H SER A 70 -11.208 7.204 -0.283 1.00 0.00 H new ATOM 0 HA SER A 70 -12.727 9.792 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.454 8.669 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.269 9.799 1.160 1.00 0.00 H new ATOM 0 HG SER A 70 -11.791 10.828 2.597 1.00 0.00 H new ATOM 1023 N GLY A 71 -9.784 8.848 -1.558 1.00 0.00 N ATOM 1024 CA GLY A 71 -8.712 9.226 -2.523 1.00 0.00 C ATOM 1025 C GLY A 71 -7.388 8.583 -2.097 1.00 0.00 C ATOM 1026 O GLY A 71 -6.506 8.366 -2.905 1.00 0.00 O ATOM 0 H GLY A 71 -9.710 7.906 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.981 8.898 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.607 10.310 -2.559 1.00 0.00 H new ATOM 1030 N THR A 72 -7.243 8.278 -0.837 1.00 0.00 N ATOM 1031 CA THR A 72 -5.975 7.648 -0.362 1.00 0.00 C ATOM 1032 C THR A 72 -6.160 6.140 -0.296 1.00 0.00 C ATOM 1033 O THR A 72 -6.951 5.570 -1.020 1.00 0.00 O ATOM 1034 CB THR A 72 -5.624 8.163 1.035 1.00 0.00 C ATOM 1035 OG1 THR A 72 -6.163 7.284 2.016 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.213 9.552 1.229 1.00 0.00 C ATOM 0 H THR A 72 -7.946 8.437 -0.115 1.00 0.00 H new ATOM 0 HA THR A 72 -5.172 7.901 -1.054 1.00 0.00 H new ATOM 0 HB THR A 72 -4.540 8.208 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.936 7.614 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.962 9.918 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.803 10.229 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.297 9.506 1.122 1.00 0.00 H new ATOM 1044 N ILE A 73 -5.440 5.483 0.569 1.00 0.00 N ATOM 1045 CA ILE A 73 -5.594 4.014 0.669 1.00 0.00 C ATOM 1046 C ILE A 73 -5.478 3.573 2.130 1.00 0.00 C ATOM 1047 O ILE A 73 -4.767 4.167 2.917 1.00 0.00 O ATOM 1048 CB ILE A 73 -4.511 3.317 -0.160 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -4.051 4.235 -1.296 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -5.076 2.028 -0.751 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -3.066 5.267 -0.747 1.00 0.00 C ATOM 0 H ILE A 73 -4.759 5.899 1.204 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.576 3.738 0.286 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.661 3.087 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.579 3.648 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.909 4.737 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.307 1.531 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.398 1.369 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.928 2.263 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.737 5.922 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.554 5.861 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.203 4.755 -0.320 1.00 0.00 H new ATOM 1063 N ASP A 74 -6.167 2.525 2.494 1.00 0.00 N ATOM 1064 CA ASP A 74 -6.097 2.032 3.898 1.00 0.00 C ATOM 1065 C ASP A 74 -5.006 0.963 4.000 1.00 0.00 C ATOM 1066 O ASP A 74 -4.061 0.956 3.235 1.00 0.00 O ATOM 1067 CB ASP A 74 -7.445 1.426 4.291 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.910 2.027 5.619 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.241 1.802 6.615 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.926 2.702 5.618 1.00 0.00 O ATOM 0 H ASP A 74 -6.777 1.988 1.877 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.863 2.859 4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.183 1.621 3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.356 0.343 4.381 1.00 0.00 H new ATOM 1075 N PHE A 75 -5.123 0.061 4.935 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.086 -1.000 5.075 1.00 0.00 C ATOM 1077 C PHE A 75 -4.475 -2.215 4.219 1.00 0.00 C ATOM 1078 O PHE A 75 -3.693 -3.123 4.021 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.954 -1.393 6.562 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.689 -2.686 6.856 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.057 -2.795 6.580 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.996 -3.778 7.396 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.732 -3.991 6.846 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.672 -4.975 7.662 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.040 -5.081 7.387 1.00 0.00 C ATOM 0 H PHE A 75 -5.889 0.012 5.606 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.122 -0.628 4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.901 -1.504 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.352 -0.595 7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.592 -1.955 6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.940 -3.696 7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.788 -4.074 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.138 -5.816 8.079 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.562 -6.004 7.592 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.682 -2.243 3.723 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.123 -3.402 2.896 1.00 0.00 C ATOM 1097 C GLU A 76 -5.596 -3.257 1.467 1.00 0.00 C ATOM 1098 O GLU A 76 -5.038 -4.178 0.905 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.653 -3.455 2.872 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.136 -4.657 3.688 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.437 -4.297 4.410 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.394 -3.432 5.271 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.454 -4.892 4.091 1.00 0.00 O ATOM 0 H GLU A 76 -6.382 -1.513 3.855 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.729 -4.321 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.066 -2.534 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.009 -3.533 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.297 -5.513 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.375 -4.948 4.412 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.776 -2.112 0.870 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.292 -1.916 -0.526 1.00 0.00 C ATOM 1112 C GLU A 77 -3.780 -1.677 -0.525 1.00 0.00 C ATOM 1113 O GLU A 77 -3.096 -1.984 -1.482 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.999 -0.709 -1.141 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.080 -1.187 -2.111 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.496 -1.274 -3.523 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.353 -0.887 -3.693 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.204 -1.725 -4.408 1.00 0.00 O ATOM 0 H GLU A 77 -6.237 -1.304 1.288 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.511 -2.808 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.445 -0.097 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.278 -0.081 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.457 -2.162 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.926 -0.499 -2.097 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.251 -1.129 0.535 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.783 -0.871 0.583 1.00 0.00 C ATOM 1127 C PHE A 78 -1.022 -2.196 0.476 1.00 0.00 C ATOM 1128 O PHE A 78 0.176 -2.219 0.274 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.423 -0.181 1.901 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.049 0.435 1.783 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.176 1.475 0.874 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.002 -0.036 2.581 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.450 2.045 0.762 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.276 0.533 2.468 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.500 1.575 1.559 1.00 0.00 C ATOM 0 H PHE A 78 -3.770 -0.849 1.368 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.506 -0.226 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.160 0.587 2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.442 -0.901 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.634 1.838 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.829 -0.838 3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.622 2.848 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.086 0.169 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.482 2.015 1.473 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.706 -3.300 0.609 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.018 -4.620 0.514 1.00 0.00 C ATOM 1147 C LEU A 79 -0.864 -5.008 -0.959 1.00 0.00 C ATOM 1148 O LEU A 79 0.101 -5.636 -1.349 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.850 -5.682 1.235 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.185 -6.038 2.567 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.029 -5.491 3.720 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.082 -7.559 2.691 1.00 0.00 C ATOM 0 H LEU A 79 -2.711 -3.345 0.779 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.034 -4.552 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.860 -5.311 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.940 -6.572 0.613 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.188 -5.599 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.556 -5.744 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.108 -4.407 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.025 -5.931 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.609 -7.816 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.080 -7.995 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.484 -7.951 1.869 1.00 0.00 H new ATOM 1164 N VAL A 80 -1.810 -4.641 -1.781 1.00 0.00 N ATOM 1165 CA VAL A 80 -1.720 -4.990 -3.228 1.00 0.00 C ATOM 1166 C VAL A 80 -0.392 -4.487 -3.796 1.00 0.00 C ATOM 1167 O VAL A 80 0.316 -5.201 -4.476 1.00 0.00 O ATOM 1168 CB VAL A 80 -2.875 -4.329 -3.982 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -2.793 -4.694 -5.465 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.207 -4.819 -3.411 1.00 0.00 C ATOM 0 H VAL A 80 -2.641 -4.114 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.777 -6.072 -3.343 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.807 -3.247 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.616 -4.223 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.845 -4.344 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.859 -5.776 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.029 -4.347 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.274 -5.901 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.268 -4.558 -2.354 1.00 0.00 H new ATOM 1180 N MET A 81 -0.054 -3.258 -3.523 1.00 0.00 N ATOM 1181 CA MET A 81 1.224 -2.700 -4.047 1.00 0.00 C ATOM 1182 C MET A 81 2.386 -3.612 -3.648 1.00 0.00 C ATOM 1183 O MET A 81 3.244 -3.928 -4.447 1.00 0.00 O ATOM 1184 CB MET A 81 1.441 -1.309 -3.456 1.00 0.00 C ATOM 1185 CG MET A 81 2.622 -0.629 -4.152 1.00 0.00 C ATOM 1186 SD MET A 81 3.400 0.546 -3.013 1.00 0.00 S ATOM 1187 CE MET A 81 1.883 1.151 -2.233 1.00 0.00 C ATOM 0 H MET A 81 -0.609 -2.614 -2.959 1.00 0.00 H new ATOM 0 HA MET A 81 1.177 -2.635 -5.134 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.540 -0.708 -3.577 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.632 -1.384 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.348 -1.376 -4.473 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.281 -0.111 -5.048 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.066 2.131 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.096 1.232 -2.983 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.572 0.455 -1.454 1.00 0.00 H new ATOM 1197 N MET A 82 2.421 -4.037 -2.414 1.00 0.00 N ATOM 1198 CA MET A 82 3.527 -4.926 -1.965 1.00 0.00 C ATOM 1199 C MET A 82 3.436 -6.265 -2.703 1.00 0.00 C ATOM 1200 O MET A 82 4.421 -6.950 -2.890 1.00 0.00 O ATOM 1201 CB MET A 82 3.403 -5.163 -0.459 1.00 0.00 C ATOM 1202 CG MET A 82 4.734 -4.838 0.222 1.00 0.00 C ATOM 1203 SD MET A 82 4.987 -5.960 1.618 1.00 0.00 S ATOM 1204 CE MET A 82 5.936 -4.821 2.655 1.00 0.00 C ATOM 0 H MET A 82 1.731 -3.806 -1.699 1.00 0.00 H new ATOM 0 HA MET A 82 4.486 -4.457 -2.183 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.610 -4.539 -0.046 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.127 -6.200 -0.265 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.553 -4.937 -0.491 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.735 -3.804 0.568 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.441 -5.381 3.442 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.677 -4.305 2.045 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.263 -4.091 3.104 1.00 0.00 H new ATOM 1214 N VAL A 83 2.259 -6.642 -3.122 1.00 0.00 N ATOM 1215 CA VAL A 83 2.103 -7.934 -3.846 1.00 0.00 C ATOM 1216 C VAL A 83 2.607 -7.781 -5.283 1.00 0.00 C ATOM 1217 O VAL A 83 2.995 -8.741 -5.919 1.00 0.00 O ATOM 1218 CB VAL A 83 0.625 -8.331 -3.863 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.418 -9.495 -4.835 1.00 0.00 C ATOM 1220 CG2 VAL A 83 0.197 -8.760 -2.458 1.00 0.00 C ATOM 0 H VAL A 83 1.398 -6.110 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 83 2.683 -8.706 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 83 0.025 -7.479 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.635 -9.777 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.723 -9.191 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.018 -10.347 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.856 -9.043 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.798 -9.611 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.343 -7.932 -1.764 1.00 0.00 H new ATOM 1230 N ARG A 84 2.606 -6.583 -5.800 1.00 0.00 N ATOM 1231 CA ARG A 84 3.085 -6.374 -7.197 1.00 0.00 C ATOM 1232 C ARG A 84 4.603 -6.557 -7.251 1.00 0.00 C ATOM 1233 O ARG A 84 5.140 -7.089 -8.202 1.00 0.00 O ATOM 1234 CB ARG A 84 2.727 -4.959 -7.656 1.00 0.00 C ATOM 1235 CG ARG A 84 1.207 -4.783 -7.642 1.00 0.00 C ATOM 1236 CD ARG A 84 0.865 -3.302 -7.801 1.00 0.00 C ATOM 1237 NE ARG A 84 -0.605 -3.112 -7.651 1.00 0.00 N ATOM 1238 CZ ARG A 84 -1.357 -2.978 -8.709 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.650 -4.021 -9.436 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -1.816 -1.802 -9.040 1.00 0.00 N ATOM 0 H ARG A 84 2.295 -5.740 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 84 2.607 -7.101 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.194 -4.224 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.114 -4.783 -8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.756 -5.360 -8.449 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.794 -5.164 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.397 -2.713 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.191 -2.946 -8.778 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.024 -3.087 -6.721 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.291 -4.940 -9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.238 -3.917 -10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.587 -0.987 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.404 -1.698 -9.867 1.00 0.00 H new ATOM 1254 N GLN A 85 5.299 -6.119 -6.238 1.00 0.00 N ATOM 1255 CA GLN A 85 6.782 -6.266 -6.233 1.00 0.00 C ATOM 1256 C GLN A 85 7.157 -7.638 -5.669 1.00 0.00 C ATOM 1257 O GLN A 85 7.988 -7.752 -4.790 1.00 0.00 O ATOM 1258 CB GLN A 85 7.400 -5.172 -5.359 1.00 0.00 C ATOM 1259 CG GLN A 85 8.915 -5.145 -5.571 1.00 0.00 C ATOM 1260 CD GLN A 85 9.413 -3.700 -5.499 1.00 0.00 C ATOM 1261 OE1 GLN A 85 9.011 -2.949 -4.633 1.00 0.00 O ATOM 1262 NE2 GLN A 85 10.278 -3.276 -6.379 1.00 0.00 N ATOM 0 H GLN A 85 4.905 -5.666 -5.414 1.00 0.00 H new ATOM 0 HA GLN A 85 7.159 -6.175 -7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.969 -4.203 -5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.172 -5.358 -4.309 1.00 0.00 H new ATOM 0 HG2 GLN A 85 9.410 -5.750 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.166 -5.580 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.616 -3.906 -7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.616 -2.315 -6.339 1.00 0.00 H new ATOM 1271 N MET A 86 6.550 -8.681 -6.166 1.00 0.00 N ATOM 1272 CA MET A 86 6.873 -10.042 -5.658 1.00 0.00 C ATOM 1273 C MET A 86 8.281 -10.435 -6.110 1.00 0.00 C ATOM 1274 O MET A 86 8.723 -10.070 -7.182 1.00 0.00 O ATOM 1275 CB MET A 86 5.860 -11.046 -6.210 1.00 0.00 C ATOM 1276 CG MET A 86 4.694 -11.184 -5.230 1.00 0.00 C ATOM 1277 SD MET A 86 4.962 -12.631 -4.174 1.00 0.00 S ATOM 1278 CE MET A 86 5.299 -11.733 -2.640 1.00 0.00 C ATOM 0 H MET A 86 5.844 -8.648 -6.902 1.00 0.00 H new ATOM 0 HA MET A 86 6.828 -10.043 -4.569 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.495 -10.714 -7.182 1.00 0.00 H new ATOM 0 HB3 MET A 86 6.337 -12.014 -6.363 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.610 -10.285 -4.619 1.00 0.00 H new ATOM 0 HG3 MET A 86 3.756 -11.287 -5.776 1.00 0.00 H new ATOM 0 HE1 MET A 86 5.267 -12.425 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.286 -11.275 -2.696 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.546 -10.957 -2.500 1.00 0.00 H new ATOM 1288 N LYS A 87 8.989 -11.173 -5.300 1.00 0.00 N ATOM 1289 CA LYS A 87 10.368 -11.585 -5.682 1.00 0.00 C ATOM 1290 C LYS A 87 10.299 -12.789 -6.624 1.00 0.00 C ATOM 1291 O LYS A 87 11.164 -12.989 -7.454 1.00 0.00 O ATOM 1292 CB LYS A 87 11.154 -11.966 -4.426 1.00 0.00 C ATOM 1293 CG LYS A 87 11.692 -10.701 -3.754 1.00 0.00 C ATOM 1294 CD LYS A 87 12.801 -11.080 -2.772 1.00 0.00 C ATOM 1295 CE LYS A 87 13.889 -11.860 -3.511 1.00 0.00 C ATOM 1296 NZ LYS A 87 15.144 -11.850 -2.706 1.00 0.00 N ATOM 0 H LYS A 87 8.672 -11.508 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 87 10.867 -10.757 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.512 -12.512 -3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.978 -12.630 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.077 -10.012 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.888 -10.184 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.224 -10.183 -2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.393 -11.683 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.563 -12.886 -3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.069 -11.415 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.883 -12.381 -3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.458 -10.869 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.967 -12.294 -1.782 1.00 0.00 H new ATOM 1310 N GLU A 88 9.277 -13.590 -6.506 1.00 0.00 N ATOM 1311 CA GLU A 88 9.156 -14.778 -7.397 1.00 0.00 C ATOM 1312 C GLU A 88 8.802 -14.321 -8.814 1.00 0.00 C ATOM 1313 O GLU A 88 8.728 -15.114 -9.731 1.00 0.00 O ATOM 1314 CB GLU A 88 8.057 -15.703 -6.871 1.00 0.00 C ATOM 1315 CG GLU A 88 7.733 -16.763 -7.926 1.00 0.00 C ATOM 1316 CD GLU A 88 6.978 -17.921 -7.273 1.00 0.00 C ATOM 1317 OE1 GLU A 88 7.243 -18.198 -6.116 1.00 0.00 O ATOM 1318 OE2 GLU A 88 6.145 -18.511 -7.942 1.00 0.00 O ATOM 0 H GLU A 88 8.521 -13.474 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 88 10.105 -15.315 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.381 -16.182 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.163 -15.125 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.131 -16.326 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.652 -17.127 -8.385 1.00 0.00 H new ATOM 1325 N ASP A 89 8.581 -13.047 -9.000 1.00 0.00 N ATOM 1326 CA ASP A 89 8.231 -12.542 -10.357 1.00 0.00 C ATOM 1327 C ASP A 89 6.899 -13.150 -10.801 1.00 0.00 C ATOM 1328 O ASP A 89 6.726 -13.523 -11.944 1.00 0.00 O ATOM 1329 CB ASP A 89 9.328 -12.938 -11.350 1.00 0.00 C ATOM 1330 CG ASP A 89 10.673 -12.384 -10.875 1.00 0.00 C ATOM 1331 OD1 ASP A 89 11.194 -12.902 -9.901 1.00 0.00 O ATOM 1332 OD2 ASP A 89 11.157 -11.450 -11.493 1.00 0.00 O ATOM 0 H ASP A 89 8.628 -12.335 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 89 8.143 -11.456 -10.327 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.380 -14.023 -11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.093 -12.550 -12.341 1.00 0.00 H new ATOM 1337 N ALA A 90 5.953 -13.252 -9.906 1.00 0.00 N ATOM 1338 CA ALA A 90 4.633 -13.835 -10.281 1.00 0.00 C ATOM 1339 C ALA A 90 3.552 -12.758 -10.174 1.00 0.00 C ATOM 1340 O ALA A 90 3.326 -12.282 -9.074 1.00 0.00 O ATOM 1341 CB ALA A 90 4.297 -14.989 -9.334 1.00 0.00 C ATOM 1342 OXT ALA A 90 2.968 -12.428 -11.193 1.00 0.00 O ATOM 0 H ALA A 90 6.037 -12.957 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 90 4.678 -14.206 -11.305 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.332 -15.415 -9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.067 -15.757 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.252 -14.618 -8.310 1.00 0.00 H new TER 1348 ALA A 90