USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 509 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -170:sc= 0 (180deg=-0.128) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 83:sc= 0.97 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.958 (180deg=0.901) USER MOD Single : A 17 ASN : amide:sc=-0.00564 K(o=-0.0056,f=-1.2) USER MOD Single : A 32 THR OG1 : rot -1:sc= 0.415 USER MOD Single : A 35 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.31) USER MOD Single : A 37 THR OG1 : rot -57:sc= 0.86 USER MOD Single : A 48 SER OG : rot 82:sc= 0.46 USER MOD Single : A 50 THR OG1 : rot -20:sc= 0.756 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0819 K(o=-0.082,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 168:sc=-0.00216 (180deg=-0.156) USER MOD Single : A 65 MET CE :methyl -168:sc= -0.0101 (180deg=-0.212) USER MOD Single : A 67 ASN : amide:sc=-0.00445 X(o=-0.0045,f=0) USER MOD Single : A 69 GLN : amide:sc=-0.00796 K(o=-0.008,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.564 0.757 4.534 1.00 0.00 N ATOM 2 CA SER A 1 -14.302 0.316 3.953 1.00 0.00 C ATOM 3 C SER A 1 -13.136 1.150 4.469 1.00 0.00 C ATOM 4 O SER A 1 -12.058 0.625 4.744 1.00 0.00 O ATOM 5 CB SER A 1 -14.371 0.386 2.440 1.00 0.00 C ATOM 6 OG SER A 1 -15.386 -0.429 1.921 1.00 0.00 O ATOM 0 H1 SER A 1 -16.311 0.072 4.301 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.466 0.824 5.567 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.816 1.689 4.149 1.00 0.00 H new ATOM 0 HA SER A 1 -14.134 -0.718 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.542 1.418 2.133 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.412 0.083 2.019 1.00 0.00 H new ATOM 0 HG SER A 1 -15.398 -0.354 0.944 1.00 0.00 H new ATOM 14 N GLU A 2 -13.361 2.453 4.599 1.00 0.00 N ATOM 15 CA GLU A 2 -12.309 3.374 5.017 1.00 0.00 C ATOM 16 C GLU A 2 -11.858 3.083 6.443 1.00 0.00 C ATOM 17 O GLU A 2 -10.677 3.211 6.769 1.00 0.00 O ATOM 18 CB GLU A 2 -12.788 4.822 4.901 1.00 0.00 C ATOM 19 CG GLU A 2 -12.971 5.312 3.472 1.00 0.00 C ATOM 20 CD GLU A 2 -13.545 6.700 3.440 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.850 7.222 4.486 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.577 7.284 2.382 1.00 0.00 O ATOM 0 H GLU A 2 -14.262 2.896 4.421 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.456 3.230 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.736 4.922 5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.071 5.470 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.011 5.301 2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.630 4.631 2.933 1.00 0.00 H new ATOM 29 N GLU A 3 -12.804 2.693 7.290 1.00 0.00 N ATOM 30 CA GLU A 3 -12.504 2.376 8.681 1.00 0.00 C ATOM 31 C GLU A 3 -11.694 1.090 8.791 1.00 0.00 C ATOM 32 O GLU A 3 -10.807 0.974 9.636 1.00 0.00 O ATOM 33 CB GLU A 3 -13.794 2.255 9.494 1.00 0.00 C ATOM 34 CG GLU A 3 -14.525 3.572 9.712 1.00 0.00 C ATOM 35 CD GLU A 3 -15.835 3.360 10.420 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.181 2.228 10.662 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.436 4.329 10.818 1.00 0.00 O ATOM 0 H GLU A 3 -13.787 2.589 7.037 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.906 3.192 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.465 1.561 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.558 1.819 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.898 4.246 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.703 4.055 8.751 1.00 0.00 H new ATOM 44 N GLU A 4 -12.005 0.126 7.931 1.00 0.00 N ATOM 45 CA GLU A 4 -11.269 -1.133 7.894 1.00 0.00 C ATOM 46 C GLU A 4 -9.867 -0.936 7.335 1.00 0.00 C ATOM 47 O GLU A 4 -8.905 -1.529 7.824 1.00 0.00 O ATOM 48 CB GLU A 4 -12.026 -2.170 7.061 1.00 0.00 C ATOM 49 CG GLU A 4 -13.315 -2.670 7.698 1.00 0.00 C ATOM 50 CD GLU A 4 -14.042 -3.619 6.787 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.586 -3.826 5.688 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.990 -4.225 7.228 1.00 0.00 O ATOM 0 H GLU A 4 -12.762 0.192 7.250 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.179 -1.497 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.260 -1.736 6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.370 -3.022 6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.088 -3.169 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.959 -1.823 7.933 1.00 0.00 H new ATOM 59 N LEU A 5 -9.756 -0.100 6.309 1.00 0.00 N ATOM 60 CA LEU A 5 -8.466 0.190 5.693 1.00 0.00 C ATOM 61 C LEU A 5 -7.636 1.122 6.567 1.00 0.00 C ATOM 62 O LEU A 5 -6.409 1.157 6.462 1.00 0.00 O ATOM 63 CB LEU A 5 -8.669 0.804 4.302 1.00 0.00 C ATOM 64 CG LEU A 5 -9.254 -0.147 3.249 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.480 0.600 1.941 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.309 -1.321 3.043 1.00 0.00 C ATOM 0 H LEU A 5 -10.544 0.389 5.886 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.921 -0.749 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.328 1.667 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.709 1.174 3.942 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.215 -0.528 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.895 -0.082 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.176 1.422 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.531 0.995 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.725 -1.996 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.341 -0.954 2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.183 -1.856 3.984 1.00 0.00 H new ATOM 78 N SER A 6 -8.310 1.874 7.429 1.00 0.00 N ATOM 79 CA SER A 6 -7.633 2.677 8.439 1.00 0.00 C ATOM 80 C SER A 6 -6.898 1.796 9.442 1.00 0.00 C ATOM 81 O SER A 6 -5.766 2.087 9.826 1.00 0.00 O ATOM 82 CB SER A 6 -8.629 3.571 9.152 1.00 0.00 C ATOM 83 OG SER A 6 -8.021 4.351 10.144 1.00 0.00 O ATOM 0 H SER A 6 -9.327 1.944 7.448 1.00 0.00 H new ATOM 0 HA SER A 6 -6.894 3.301 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.115 4.223 8.426 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.409 2.957 9.602 1.00 0.00 H new ATOM 0 HG SER A 6 -8.696 4.913 10.578 1.00 0.00 H new ATOM 89 N GLU A 7 -7.549 0.717 9.861 1.00 0.00 N ATOM 90 CA GLU A 7 -6.924 -0.261 10.744 1.00 0.00 C ATOM 91 C GLU A 7 -5.784 -0.988 10.043 1.00 0.00 C ATOM 92 O GLU A 7 -4.723 -1.207 10.627 1.00 0.00 O ATOM 93 CB GLU A 7 -7.960 -1.269 11.246 1.00 0.00 C ATOM 94 CG GLU A 7 -8.980 -0.692 12.218 1.00 0.00 C ATOM 95 CD GLU A 7 -10.053 -1.693 12.541 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.033 -2.761 11.977 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.828 -1.435 13.433 1.00 0.00 O ATOM 0 H GLU A 7 -8.511 0.497 9.603 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.511 0.277 11.597 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.489 -1.686 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.440 -2.095 11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.478 -0.385 13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.431 0.202 11.787 1.00 0.00 H new ATOM 104 N CYS A 8 -6.009 -1.358 8.787 1.00 0.00 N ATOM 105 CA CYS A 8 -4.986 -2.024 7.989 1.00 0.00 C ATOM 106 C CYS A 8 -3.797 -1.104 7.739 1.00 0.00 C ATOM 107 O CYS A 8 -2.647 -1.544 7.742 1.00 0.00 O ATOM 108 CB CYS A 8 -5.719 -2.323 6.682 1.00 0.00 C ATOM 109 SG CYS A 8 -6.986 -3.607 6.810 1.00 0.00 S ATOM 0 H CYS A 8 -6.892 -1.208 8.299 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.575 -2.910 8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.185 -1.405 6.323 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.989 -2.625 5.931 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.089 -3.085 7.258 1.00 0.00 H new ATOM 115 N PHE A 9 -4.081 0.176 7.523 1.00 0.00 N ATOM 116 CA PHE A 9 -3.034 1.170 7.321 1.00 0.00 C ATOM 117 C PHE A 9 -2.100 1.238 8.523 1.00 0.00 C ATOM 118 O PHE A 9 -0.879 1.238 8.374 1.00 0.00 O ATOM 119 CB PHE A 9 -3.647 2.546 7.052 1.00 0.00 C ATOM 120 CG PHE A 9 -2.631 3.620 6.788 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.058 3.758 5.532 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.247 4.495 7.792 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.123 4.746 5.287 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.314 5.485 7.549 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.752 5.609 6.295 1.00 0.00 C ATOM 0 H PHE A 9 -5.029 0.550 7.483 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.449 0.867 6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.317 2.474 6.195 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.255 2.837 7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.346 3.086 4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.682 4.402 8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.683 4.842 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.025 6.161 8.340 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.022 6.382 6.104 1.00 0.00 H new ATOM 135 N ARG A 10 -2.683 1.296 9.716 1.00 0.00 N ATOM 136 CA ARG A 10 -1.909 1.245 10.950 1.00 0.00 C ATOM 137 C ARG A 10 -1.024 0.005 10.994 1.00 0.00 C ATOM 138 O ARG A 10 0.151 0.082 11.354 1.00 0.00 O ATOM 139 CB ARG A 10 -2.792 1.343 12.186 1.00 0.00 C ATOM 140 CG ARG A 10 -2.048 1.278 13.510 1.00 0.00 C ATOM 141 CD ARG A 10 -2.916 1.407 14.708 1.00 0.00 C ATOM 142 NE ARG A 10 -2.222 1.249 15.975 1.00 0.00 N ATOM 143 CZ ARG A 10 -2.823 1.246 17.182 1.00 0.00 C ATOM 144 NH1 ARG A 10 -4.119 1.430 17.292 1.00 0.00 N ATOM 145 NH2 ARG A 10 -2.069 1.078 18.254 1.00 0.00 N ATOM 0 H ARG A 10 -3.690 1.378 9.854 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.259 2.120 10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.348 2.279 12.144 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.524 0.536 12.157 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.511 0.331 13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.299 2.070 13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.395 2.386 14.690 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.710 0.663 14.648 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.209 1.132 15.949 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.686 1.578 16.457 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.559 1.425 18.212 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.061 0.955 18.155 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.495 1.071 19.181 1.00 0.00 H new ATOM 159 N ILE A 11 -1.595 -1.137 10.626 1.00 0.00 N ATOM 160 CA ILE A 11 -0.867 -2.400 10.649 1.00 0.00 C ATOM 161 C ILE A 11 0.253 -2.409 9.617 1.00 0.00 C ATOM 162 O ILE A 11 1.375 -2.820 9.908 1.00 0.00 O ATOM 163 CB ILE A 11 -1.802 -3.595 10.390 1.00 0.00 C ATOM 164 CG1 ILE A 11 -2.788 -3.763 11.549 1.00 0.00 C ATOM 165 CG2 ILE A 11 -0.995 -4.868 10.186 1.00 0.00 C ATOM 166 CD1 ILE A 11 -3.928 -4.709 11.249 1.00 0.00 C ATOM 0 H ILE A 11 -2.561 -1.214 10.308 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.437 -2.497 11.646 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.370 -3.399 9.480 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.248 -4.126 12.423 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.197 -2.787 11.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.672 -5.703 10.004 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.332 -4.745 9.330 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.402 -5.070 11.078 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.583 -4.776 12.117 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.494 -4.337 10.395 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.530 -5.697 11.018 1.00 0.00 H new ATOM 178 N PHE A 12 -0.060 -1.953 8.408 1.00 0.00 N ATOM 179 CA PHE A 12 0.861 -2.070 7.284 1.00 0.00 C ATOM 180 C PHE A 12 2.022 -1.095 7.419 1.00 0.00 C ATOM 181 O PHE A 12 3.147 -1.395 7.020 1.00 0.00 O ATOM 182 CB PHE A 12 0.124 -1.833 5.964 1.00 0.00 C ATOM 183 CG PHE A 12 -0.946 -2.847 5.677 1.00 0.00 C ATOM 184 CD1 PHE A 12 -1.030 -4.018 6.416 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.871 -2.633 4.665 1.00 0.00 C ATOM 186 CE1 PHE A 12 -2.014 -4.951 6.152 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.856 -3.565 4.400 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.928 -4.725 5.145 1.00 0.00 C ATOM 0 H PHE A 12 -0.945 -1.499 8.182 1.00 0.00 H new ATOM 0 HA PHE A 12 1.266 -3.082 7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.325 -0.840 5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.847 -1.841 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.318 -4.202 7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.820 -1.728 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.067 -5.858 6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.570 -3.386 3.610 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.698 -5.454 4.939 1.00 0.00 H new ATOM 198 N ASP A 13 1.743 0.076 7.983 1.00 0.00 N ATOM 199 CA ASP A 13 2.784 1.057 8.268 1.00 0.00 C ATOM 200 C ASP A 13 3.578 0.671 9.509 1.00 0.00 C ATOM 201 O ASP A 13 3.372 1.229 10.587 1.00 0.00 O ATOM 202 CB ASP A 13 2.174 2.449 8.445 1.00 0.00 C ATOM 203 CG ASP A 13 3.195 3.569 8.597 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.365 3.300 8.462 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.793 4.703 8.688 1.00 0.00 O ATOM 0 H ASP A 13 0.804 0.369 8.252 1.00 0.00 H new ATOM 0 HA ASP A 13 3.467 1.076 7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.540 2.666 7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.529 2.441 9.323 1.00 0.00 H new ATOM 210 N LYS A 14 4.487 -0.284 9.350 1.00 0.00 N ATOM 211 CA LYS A 14 5.182 -0.877 10.487 1.00 0.00 C ATOM 212 C LYS A 14 6.163 0.110 11.109 1.00 0.00 C ATOM 213 O LYS A 14 6.406 0.080 12.315 1.00 0.00 O ATOM 214 CB LYS A 14 5.915 -2.150 10.062 1.00 0.00 C ATOM 215 CG LYS A 14 5.000 -3.307 9.682 1.00 0.00 C ATOM 216 CD LYS A 14 5.795 -4.492 9.157 1.00 0.00 C ATOM 217 CE LYS A 14 4.879 -5.640 8.755 1.00 0.00 C ATOM 218 NZ LYS A 14 5.630 -6.748 8.106 1.00 0.00 N ATOM 0 H LYS A 14 4.760 -0.665 8.444 1.00 0.00 H new ATOM 0 HA LYS A 14 4.435 -1.133 11.238 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.558 -1.918 9.213 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.565 -2.469 10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.418 -3.613 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.290 -2.978 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.390 -4.181 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.493 -4.832 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.363 -6.019 9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.113 -5.272 8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.003 -7.569 7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.974 -6.436 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.439 -7.015 8.702 1.00 0.00 H new ATOM 232 N ASP A 15 6.722 0.983 10.279 1.00 0.00 N ATOM 233 CA ASP A 15 7.708 1.953 10.739 1.00 0.00 C ATOM 234 C ASP A 15 7.036 3.167 11.365 1.00 0.00 C ATOM 235 O ASP A 15 7.655 3.905 12.133 1.00 0.00 O ATOM 236 CB ASP A 15 8.610 2.391 9.582 1.00 0.00 C ATOM 237 CG ASP A 15 9.594 1.327 9.113 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.771 0.360 9.815 1.00 0.00 O ATOM 239 OD2 ASP A 15 10.038 1.411 7.994 1.00 0.00 O ATOM 0 H ASP A 15 6.509 1.039 9.283 1.00 0.00 H new ATOM 0 HA ASP A 15 8.319 1.470 11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.983 2.685 8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.169 3.276 9.888 1.00 0.00 H new ATOM 244 N GLY A 16 5.764 3.368 11.037 1.00 0.00 N ATOM 245 CA GLY A 16 5.018 4.520 11.529 1.00 0.00 C ATOM 246 C GLY A 16 5.442 5.797 10.815 1.00 0.00 C ATOM 247 O GLY A 16 5.583 6.850 11.436 1.00 0.00 O ATOM 0 H GLY A 16 5.228 2.747 10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.951 4.355 11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.179 4.629 12.602 1.00 0.00 H new ATOM 251 N ASN A 17 5.644 5.698 9.506 1.00 0.00 N ATOM 252 CA ASN A 17 6.162 6.813 8.723 1.00 0.00 C ATOM 253 C ASN A 17 5.054 7.795 8.364 1.00 0.00 C ATOM 254 O ASN A 17 5.319 8.949 8.027 1.00 0.00 O ATOM 255 CB ASN A 17 6.863 6.331 7.466 1.00 0.00 C ATOM 256 CG ASN A 17 8.168 5.634 7.731 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.811 5.847 8.766 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.603 4.865 6.766 1.00 0.00 N ATOM 0 H ASN A 17 5.456 4.855 8.964 1.00 0.00 H new ATOM 0 HA ASN A 17 6.894 7.329 9.344 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.201 5.652 6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.043 7.184 6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.512 4.409 6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.033 4.722 5.932 1.00 0.00 H new ATOM 265 N GLY A 18 3.811 7.331 8.440 1.00 0.00 N ATOM 266 CA GLY A 18 2.663 8.151 8.070 1.00 0.00 C ATOM 267 C GLY A 18 2.243 7.891 6.629 1.00 0.00 C ATOM 268 O GLY A 18 1.425 8.621 6.070 1.00 0.00 O ATOM 0 H GLY A 18 3.573 6.390 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.829 7.937 8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.910 9.205 8.195 1.00 0.00 H new ATOM 272 N PHE A 19 2.807 6.847 6.032 1.00 0.00 N ATOM 273 CA PHE A 19 2.505 6.499 4.649 1.00 0.00 C ATOM 274 C PHE A 19 2.975 5.088 4.321 1.00 0.00 C ATOM 275 O PHE A 19 3.701 4.468 5.097 1.00 0.00 O ATOM 276 CB PHE A 19 3.150 7.505 3.692 1.00 0.00 C ATOM 277 CG PHE A 19 4.648 7.564 3.795 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.441 6.678 3.083 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.265 8.505 4.605 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.820 6.731 3.176 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.642 8.562 4.699 1.00 0.00 C ATOM 282 CZ PHE A 19 7.420 7.673 3.984 1.00 0.00 C ATOM 0 H PHE A 19 3.477 6.226 6.485 1.00 0.00 H new ATOM 0 HA PHE A 19 1.423 6.534 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.875 7.247 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.742 8.496 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.977 5.938 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.662 9.201 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.426 6.035 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.110 9.302 5.332 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.497 7.716 4.058 1.00 0.00 H new ATOM 292 N ILE A 20 2.556 4.585 3.164 1.00 0.00 N ATOM 293 CA ILE A 20 3.016 3.288 2.682 1.00 0.00 C ATOM 294 C ILE A 20 4.081 3.447 1.605 1.00 0.00 C ATOM 295 O ILE A 20 3.846 4.076 0.573 1.00 0.00 O ATOM 296 CB ILE A 20 1.853 2.449 2.120 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.781 2.235 3.192 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.362 1.115 1.598 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.288 1.530 4.429 1.00 0.00 C ATOM 0 H ILE A 20 1.898 5.056 2.543 1.00 0.00 H new ATOM 0 HA ILE A 20 3.445 2.769 3.539 1.00 0.00 H new ATOM 0 HB ILE A 20 1.404 2.993 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.370 3.203 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.037 1.655 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.527 0.536 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.089 1.288 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.836 0.563 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.472 1.415 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.673 0.547 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.085 2.119 4.882 1.00 0.00 H new ATOM 311 N ASP A 21 5.254 2.873 1.852 1.00 0.00 N ATOM 312 CA ASP A 21 6.322 2.856 0.860 1.00 0.00 C ATOM 313 C ASP A 21 6.329 1.550 0.078 1.00 0.00 C ATOM 314 O ASP A 21 5.483 0.681 0.295 1.00 0.00 O ATOM 315 CB ASP A 21 7.681 3.074 1.531 1.00 0.00 C ATOM 316 CG ASP A 21 8.716 3.759 0.649 1.00 0.00 C ATOM 317 OD1 ASP A 21 8.465 3.908 -0.523 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.675 4.269 1.179 1.00 0.00 O ATOM 0 H ASP A 21 5.489 2.413 2.732 1.00 0.00 H new ATOM 0 HA ASP A 21 6.137 3.671 0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.536 3.671 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.074 2.109 1.849 1.00 0.00 H new ATOM 323 N ARG A 22 7.288 1.415 -0.832 1.00 0.00 N ATOM 324 CA ARG A 22 7.468 0.174 -1.576 1.00 0.00 C ATOM 325 C ARG A 22 7.831 -0.978 -0.647 1.00 0.00 C ATOM 326 O ARG A 22 7.565 -2.140 -0.951 1.00 0.00 O ATOM 327 CB ARG A 22 8.482 0.322 -2.702 1.00 0.00 C ATOM 328 CG ARG A 22 8.024 1.187 -3.865 1.00 0.00 C ATOM 329 CD ARG A 22 9.025 1.329 -4.953 1.00 0.00 C ATOM 330 NE ARG A 22 10.190 2.124 -4.600 1.00 0.00 N ATOM 331 CZ ARG A 22 11.284 2.263 -5.374 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.386 1.634 -6.524 1.00 0.00 N ATOM 333 NH2 ARG A 22 12.266 3.031 -4.934 1.00 0.00 N ATOM 0 H ARG A 22 7.953 2.150 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 22 6.511 -0.062 -2.042 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.399 0.745 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.730 -0.669 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.111 0.762 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.771 2.178 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.357 0.336 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.541 1.781 -5.818 1.00 0.00 H new ATOM 0 HE ARG A 22 10.178 2.611 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.629 1.029 -6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.222 1.751 -7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.182 3.499 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.107 3.156 -5.497 1.00 0.00 H new ATOM 347 N GLU A 23 8.439 -0.647 0.487 1.00 0.00 N ATOM 348 CA GLU A 23 8.853 -1.655 1.456 1.00 0.00 C ATOM 349 C GLU A 23 7.652 -2.256 2.173 1.00 0.00 C ATOM 350 O GLU A 23 7.563 -3.473 2.341 1.00 0.00 O ATOM 351 CB GLU A 23 9.825 -1.052 2.473 1.00 0.00 C ATOM 352 CG GLU A 23 11.190 -0.693 1.902 1.00 0.00 C ATOM 353 CD GLU A 23 12.056 -0.025 2.933 1.00 0.00 C ATOM 354 OE1 GLU A 23 11.588 0.187 4.027 1.00 0.00 O ATOM 355 OE2 GLU A 23 13.218 0.171 2.668 1.00 0.00 O ATOM 0 H GLU A 23 8.656 0.312 0.758 1.00 0.00 H new ATOM 0 HA GLU A 23 9.359 -2.453 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.376 -0.155 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.961 -1.760 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.683 -1.595 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.065 -0.031 1.045 1.00 0.00 H new ATOM 362 N GLU A 24 6.731 -1.398 2.595 1.00 0.00 N ATOM 363 CA GLU A 24 5.506 -1.848 3.246 1.00 0.00 C ATOM 364 C GLU A 24 4.583 -2.551 2.259 1.00 0.00 C ATOM 365 O GLU A 24 3.924 -3.533 2.602 1.00 0.00 O ATOM 366 CB GLU A 24 4.779 -0.667 3.895 1.00 0.00 C ATOM 367 CG GLU A 24 5.466 -0.109 5.134 1.00 0.00 C ATOM 368 CD GLU A 24 6.539 0.878 4.766 1.00 0.00 C ATOM 369 OE1 GLU A 24 6.615 1.242 3.618 1.00 0.00 O ATOM 370 OE2 GLU A 24 7.209 1.354 5.652 1.00 0.00 O ATOM 0 H GLU A 24 6.809 -0.386 2.498 1.00 0.00 H new ATOM 0 HA GLU A 24 5.784 -2.562 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.679 0.131 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.770 -0.980 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.729 0.374 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.902 -0.926 5.710 1.00 0.00 H new ATOM 377 N PHE A 25 4.541 -2.044 1.032 1.00 0.00 N ATOM 378 CA PHE A 25 3.684 -2.611 -0.003 1.00 0.00 C ATOM 379 C PHE A 25 4.119 -4.026 -0.363 1.00 0.00 C ATOM 380 O PHE A 25 3.288 -4.892 -0.633 1.00 0.00 O ATOM 381 CB PHE A 25 3.694 -1.725 -1.249 1.00 0.00 C ATOM 382 CG PHE A 25 2.728 -2.165 -2.312 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.362 -1.990 -2.145 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.182 -2.755 -3.482 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.473 -2.395 -3.122 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.297 -3.159 -4.462 1.00 0.00 C ATOM 387 CZ PHE A 25 0.940 -2.979 -4.281 1.00 0.00 C ATOM 0 H PHE A 25 5.091 -1.240 0.729 1.00 0.00 H new ATOM 0 HA PHE A 25 2.669 -2.657 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.458 -0.701 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.700 -1.714 -1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.989 -1.532 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.242 -2.900 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.588 -2.254 -2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.666 -3.615 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.246 -3.295 -5.045 1.00 0.00 H new ATOM 397 N GLY A 26 5.429 -4.254 -0.364 1.00 0.00 N ATOM 398 CA GLY A 26 5.972 -5.593 -0.563 1.00 0.00 C ATOM 399 C GLY A 26 5.362 -6.587 0.418 1.00 0.00 C ATOM 400 O GLY A 26 5.027 -7.712 0.049 1.00 0.00 O ATOM 0 H GLY A 26 6.134 -3.529 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.776 -5.919 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.054 -5.572 -0.437 1.00 0.00 H new ATOM 404 N ASP A 27 5.219 -6.163 1.670 1.00 0.00 N ATOM 405 CA ASP A 27 4.563 -6.979 2.684 1.00 0.00 C ATOM 406 C ASP A 27 3.066 -7.084 2.423 1.00 0.00 C ATOM 407 O ASP A 27 2.478 -8.158 2.551 1.00 0.00 O ATOM 408 CB ASP A 27 4.813 -6.402 4.080 1.00 0.00 C ATOM 409 CG ASP A 27 6.229 -6.608 4.600 1.00 0.00 C ATOM 410 OD1 ASP A 27 6.966 -7.342 3.987 1.00 0.00 O ATOM 411 OD2 ASP A 27 6.612 -5.913 5.511 1.00 0.00 O ATOM 0 H ASP A 27 5.549 -5.258 2.006 1.00 0.00 H new ATOM 0 HA ASP A 27 4.989 -7.981 2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.597 -5.334 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.112 -6.858 4.779 1.00 0.00 H new ATOM 416 N ILE A 28 2.454 -5.964 2.055 1.00 0.00 N ATOM 417 CA ILE A 28 1.020 -5.924 1.793 1.00 0.00 C ATOM 418 C ILE A 28 0.621 -6.962 0.751 1.00 0.00 C ATOM 419 O ILE A 28 -0.421 -7.606 0.871 1.00 0.00 O ATOM 420 CB ILE A 28 0.571 -4.531 1.315 1.00 0.00 C ATOM 421 CG1 ILE A 28 0.683 -3.513 2.453 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.852 -4.585 0.783 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.461 -2.084 2.018 1.00 0.00 C ATOM 0 H ILE A 28 2.929 -5.070 1.931 1.00 0.00 H new ATOM 0 HA ILE A 28 0.522 -6.151 2.736 1.00 0.00 H new ATOM 0 HB ILE A 28 1.228 -4.214 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.044 -3.765 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.671 -3.596 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.154 -3.592 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.901 -5.280 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.523 -4.922 1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.556 -1.423 2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.204 -1.812 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.538 -1.984 1.593 1.00 0.00 H new ATOM 435 N ILE A 29 1.457 -7.119 -0.270 1.00 0.00 N ATOM 436 CA ILE A 29 1.215 -8.109 -1.312 1.00 0.00 C ATOM 437 C ILE A 29 1.041 -9.501 -0.720 1.00 0.00 C ATOM 438 O ILE A 29 0.121 -10.232 -1.089 1.00 0.00 O ATOM 439 CB ILE A 29 2.359 -8.138 -2.341 1.00 0.00 C ATOM 440 CG1 ILE A 29 2.387 -6.837 -3.147 1.00 0.00 C ATOM 441 CG2 ILE A 29 2.214 -9.337 -3.264 1.00 0.00 C ATOM 442 CD1 ILE A 29 3.659 -6.633 -3.936 1.00 0.00 C ATOM 0 H ILE A 29 2.309 -6.573 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 29 0.294 -7.815 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 29 3.304 -8.230 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.540 -6.828 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.255 -5.996 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.031 -9.342 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.243 -10.254 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.263 -9.276 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.602 -5.690 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.510 -6.609 -3.255 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.784 -7.453 -4.643 1.00 0.00 H new ATOM 454 N ARG A 30 1.928 -9.863 0.200 1.00 0.00 N ATOM 455 CA ARG A 30 1.873 -11.168 0.846 1.00 0.00 C ATOM 456 C ARG A 30 0.719 -11.244 1.837 1.00 0.00 C ATOM 457 O ARG A 30 0.157 -12.314 2.071 1.00 0.00 O ATOM 458 CB ARG A 30 3.195 -11.541 1.501 1.00 0.00 C ATOM 459 CG ARG A 30 4.322 -11.858 0.530 1.00 0.00 C ATOM 460 CD ARG A 30 5.617 -12.184 1.181 1.00 0.00 C ATOM 461 NE ARG A 30 6.688 -12.519 0.257 1.00 0.00 N ATOM 462 CZ ARG A 30 7.962 -12.764 0.620 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.338 -12.677 1.877 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.833 -13.071 -0.326 1.00 0.00 N ATOM 0 H ARG A 30 2.695 -9.269 0.515 1.00 0.00 H new ATOM 0 HA ARG A 30 1.691 -11.905 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.510 -10.720 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.034 -12.406 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.021 -12.699 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.466 -11.004 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.929 -11.333 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.466 -13.022 1.862 1.00 0.00 H new ATOM 0 HE ARG A 30 6.459 -12.572 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.661 -12.421 2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.307 -12.866 2.134 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.533 -13.117 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.805 -13.262 -0.082 1.00 0.00 H new ATOM 478 N LEU A 31 0.370 -10.101 2.419 1.00 0.00 N ATOM 479 CA LEU A 31 -0.720 -10.036 3.386 1.00 0.00 C ATOM 480 C LEU A 31 -2.074 -10.154 2.700 1.00 0.00 C ATOM 481 O LEU A 31 -3.040 -10.637 3.289 1.00 0.00 O ATOM 482 CB LEU A 31 -0.639 -8.730 4.188 1.00 0.00 C ATOM 483 CG LEU A 31 0.584 -8.602 5.105 1.00 0.00 C ATOM 484 CD1 LEU A 31 0.646 -7.202 5.699 1.00 0.00 C ATOM 485 CD2 LEU A 31 0.507 -9.651 6.205 1.00 0.00 C ATOM 0 H LEU A 31 0.826 -9.207 2.238 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.617 -10.879 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.639 -7.893 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.540 -8.639 4.795 1.00 0.00 H new ATOM 0 HG LEU A 31 1.492 -8.768 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.517 -7.121 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.722 -6.469 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.257 -7.012 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.376 -9.560 6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.401 -9.500 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.491 -10.645 5.759 1.00 0.00 H new ATOM 497 N THR A 32 -2.139 -9.708 1.449 1.00 0.00 N ATOM 498 CA THR A 32 -3.353 -9.834 0.652 1.00 0.00 C ATOM 499 C THR A 32 -3.393 -11.166 -0.085 1.00 0.00 C ATOM 500 O THR A 32 -4.441 -11.582 -0.579 1.00 0.00 O ATOM 501 CB THR A 32 -3.480 -8.689 -0.369 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.329 -8.678 -1.223 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.592 -7.349 0.342 1.00 0.00 C ATOM 0 H THR A 32 -1.363 -9.255 0.965 1.00 0.00 H new ATOM 0 HA THR A 32 -4.191 -9.783 1.347 1.00 0.00 H new ATOM 0 HB THR A 32 -4.380 -8.850 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.715 -9.393 -0.954 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.681 -6.552 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.473 -7.350 0.983 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.702 -7.184 0.949 1.00 0.00 H new ATOM 511 N GLY A 33 -2.245 -11.831 -0.158 1.00 0.00 N ATOM 512 CA GLY A 33 -2.174 -13.178 -0.710 1.00 0.00 C ATOM 513 C GLY A 33 -2.037 -13.146 -2.227 1.00 0.00 C ATOM 514 O GLY A 33 -2.500 -14.051 -2.921 1.00 0.00 O ATOM 0 H GLY A 33 -1.350 -11.458 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.325 -13.707 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.070 -13.734 -0.435 1.00 0.00 H new ATOM 518 N GLU A 34 -1.398 -12.098 -2.736 1.00 0.00 N ATOM 519 CA GLU A 34 -1.208 -11.941 -4.173 1.00 0.00 C ATOM 520 C GLU A 34 0.201 -12.346 -4.590 1.00 0.00 C ATOM 521 O GLU A 34 1.117 -12.375 -3.768 1.00 0.00 O ATOM 522 CB GLU A 34 -1.485 -10.496 -4.596 1.00 0.00 C ATOM 523 CG GLU A 34 -2.908 -10.026 -4.331 1.00 0.00 C ATOM 524 CD GLU A 34 -3.913 -10.925 -4.997 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.822 -11.107 -6.186 1.00 0.00 O ATOM 526 OE2 GLU A 34 -4.704 -11.517 -4.301 1.00 0.00 O ATOM 0 H GLU A 34 -1.003 -11.344 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.916 -12.600 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.794 -9.837 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.274 -10.395 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.092 -10.004 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.031 -9.006 -4.696 1.00 0.00 H new ATOM 533 N GLN A 35 0.367 -12.659 -5.870 1.00 0.00 N ATOM 534 CA GLN A 35 1.669 -13.039 -6.404 1.00 0.00 C ATOM 535 C GLN A 35 2.222 -11.958 -7.325 1.00 0.00 C ATOM 536 O GLN A 35 2.143 -12.073 -8.548 1.00 0.00 O ATOM 537 CB GLN A 35 1.571 -14.365 -7.163 1.00 0.00 C ATOM 538 CG GLN A 35 1.262 -15.564 -6.283 1.00 0.00 C ATOM 539 CD GLN A 35 2.374 -15.859 -5.294 1.00 0.00 C ATOM 540 OE1 GLN A 35 3.556 -15.859 -5.649 1.00 0.00 O ATOM 541 NE2 GLN A 35 2.001 -16.116 -4.045 1.00 0.00 N ATOM 0 H GLN A 35 -0.386 -12.657 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 35 2.351 -13.158 -5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.796 -14.278 -7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.512 -14.543 -7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.335 -15.383 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.097 -16.439 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.012 -16.105 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.704 -16.324 -3.335 1.00 0.00 H new ATOM 550 N LEU A 36 2.782 -10.911 -6.730 1.00 0.00 N ATOM 551 CA LEU A 36 3.307 -9.787 -7.495 1.00 0.00 C ATOM 552 C LEU A 36 4.818 -9.669 -7.335 1.00 0.00 C ATOM 553 O LEU A 36 5.376 -10.060 -6.310 1.00 0.00 O ATOM 554 CB LEU A 36 2.622 -8.485 -7.061 1.00 0.00 C ATOM 555 CG LEU A 36 1.104 -8.440 -7.283 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.532 -7.146 -6.719 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.804 -8.561 -8.769 1.00 0.00 C ATOM 0 H LEU A 36 2.884 -10.817 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 36 3.094 -9.966 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.823 -8.323 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.077 -7.656 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 36 0.635 -9.275 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.546 -7.123 -6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.739 -7.092 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.993 -6.295 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.274 -8.529 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.273 -7.735 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.197 -9.506 -9.144 1.00 0.00 H new ATOM 569 N THR A 37 5.475 -9.127 -8.355 1.00 0.00 N ATOM 570 CA THR A 37 6.928 -8.998 -8.349 1.00 0.00 C ATOM 571 C THR A 37 7.352 -7.567 -8.045 1.00 0.00 C ATOM 572 O THR A 37 6.513 -6.677 -7.904 1.00 0.00 O ATOM 573 CB THR A 37 7.539 -9.430 -9.694 1.00 0.00 C ATOM 574 OG1 THR A 37 7.129 -8.519 -10.723 1.00 0.00 O ATOM 575 CG2 THR A 37 7.089 -10.836 -10.059 1.00 0.00 C ATOM 0 H THR A 37 5.024 -8.770 -9.197 1.00 0.00 H new ATOM 0 HA THR A 37 7.299 -9.658 -7.565 1.00 0.00 H new ATOM 0 HB THR A 37 8.625 -9.420 -9.601 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.150 -8.487 -10.761 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.531 -11.123 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.410 -11.533 -9.285 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.002 -10.860 -10.141 1.00 0.00 H new ATOM 583 N ASP A 38 8.659 -7.352 -7.944 1.00 0.00 N ATOM 584 CA ASP A 38 9.198 -6.025 -7.673 1.00 0.00 C ATOM 585 C ASP A 38 8.831 -5.044 -8.780 1.00 0.00 C ATOM 586 O ASP A 38 8.654 -3.851 -8.533 1.00 0.00 O ATOM 587 CB ASP A 38 10.719 -6.086 -7.510 1.00 0.00 C ATOM 588 CG ASP A 38 11.186 -6.720 -6.207 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.371 -6.905 -5.333 1.00 0.00 O ATOM 590 OD2 ASP A 38 12.310 -7.157 -6.151 1.00 0.00 O ATOM 0 H ASP A 38 9.365 -8.081 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 38 8.756 -5.671 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.140 -6.647 -8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.120 -5.074 -7.572 1.00 0.00 H new ATOM 595 N GLU A 39 8.717 -5.555 -10.002 1.00 0.00 N ATOM 596 CA GLU A 39 8.279 -4.745 -11.133 1.00 0.00 C ATOM 597 C GLU A 39 6.823 -4.323 -10.977 1.00 0.00 C ATOM 598 O GLU A 39 6.420 -3.263 -11.456 1.00 0.00 O ATOM 599 CB GLU A 39 8.468 -5.509 -12.444 1.00 0.00 C ATOM 600 CG GLU A 39 9.921 -5.703 -12.856 1.00 0.00 C ATOM 601 CD GLU A 39 10.028 -6.528 -14.108 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.016 -6.974 -14.592 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.107 -6.618 -14.645 1.00 0.00 O ATOM 0 H GLU A 39 8.922 -6.527 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 39 8.894 -3.845 -11.157 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.996 -6.487 -12.352 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.946 -4.977 -13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.388 -4.732 -13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.468 -6.190 -12.049 1.00 0.00 H new ATOM 610 N ASP A 40 6.039 -5.159 -10.304 1.00 0.00 N ATOM 611 CA ASP A 40 4.641 -4.848 -10.035 1.00 0.00 C ATOM 612 C ASP A 40 4.505 -3.892 -8.858 1.00 0.00 C ATOM 613 O ASP A 40 3.581 -3.080 -8.807 1.00 0.00 O ATOM 614 CB ASP A 40 3.848 -6.130 -9.766 1.00 0.00 C ATOM 615 CG ASP A 40 3.785 -7.090 -10.947 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.371 -6.674 -12.003 1.00 0.00 O ATOM 617 OD2 ASP A 40 4.293 -8.178 -10.830 1.00 0.00 O ATOM 0 H ASP A 40 6.349 -6.058 -9.935 1.00 0.00 H new ATOM 0 HA ASP A 40 4.233 -4.359 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.294 -6.647 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.832 -5.861 -9.478 1.00 0.00 H new ATOM 622 N VAL A 41 5.431 -3.993 -7.910 1.00 0.00 N ATOM 623 CA VAL A 41 5.524 -3.027 -6.823 1.00 0.00 C ATOM 624 C VAL A 41 5.774 -1.622 -7.354 1.00 0.00 C ATOM 625 O VAL A 41 5.105 -0.668 -6.956 1.00 0.00 O ATOM 626 CB VAL A 41 6.643 -3.397 -5.831 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.873 -2.265 -4.842 1.00 0.00 C ATOM 628 CG2 VAL A 41 6.300 -4.684 -5.096 1.00 0.00 C ATOM 0 H VAL A 41 6.129 -4.736 -7.873 1.00 0.00 H new ATOM 0 HA VAL A 41 4.567 -3.050 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 41 7.563 -3.556 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.667 -2.543 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.162 -1.363 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.955 -2.076 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.102 -4.930 -4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.369 -4.551 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.184 -5.494 -5.816 1.00 0.00 H new ATOM 638 N ASP A 42 6.743 -1.499 -8.257 1.00 0.00 N ATOM 639 CA ASP A 42 7.097 -0.207 -8.830 1.00 0.00 C ATOM 640 C ASP A 42 5.953 0.358 -9.663 1.00 0.00 C ATOM 641 O ASP A 42 5.659 1.552 -9.602 1.00 0.00 O ATOM 642 CB ASP A 42 8.360 -0.327 -9.686 1.00 0.00 C ATOM 643 CG ASP A 42 9.644 -0.514 -8.888 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.614 -0.317 -7.697 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.599 -0.999 -9.445 1.00 0.00 O ATOM 0 H ASP A 42 7.297 -2.281 -8.607 1.00 0.00 H new ATOM 0 HA ASP A 42 7.292 0.480 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.244 -1.170 -10.368 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.455 0.569 -10.300 1.00 0.00 H new ATOM 650 N GLU A 43 5.311 -0.507 -10.440 1.00 0.00 N ATOM 651 CA GLU A 43 4.224 -0.088 -11.318 1.00 0.00 C ATOM 652 C GLU A 43 3.037 0.431 -10.515 1.00 0.00 C ATOM 653 O GLU A 43 2.541 1.530 -10.762 1.00 0.00 O ATOM 654 CB GLU A 43 3.784 -1.246 -12.216 1.00 0.00 C ATOM 655 CG GLU A 43 2.684 -0.891 -13.207 1.00 0.00 C ATOM 656 CD GLU A 43 2.346 -2.059 -14.090 1.00 0.00 C ATOM 657 OE1 GLU A 43 2.957 -3.090 -13.940 1.00 0.00 O ATOM 658 OE2 GLU A 43 1.402 -1.960 -14.838 1.00 0.00 O ATOM 0 H GLU A 43 5.524 -1.504 -10.480 1.00 0.00 H new ATOM 0 HA GLU A 43 4.595 0.724 -11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.650 -1.611 -12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.439 -2.066 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.793 -0.572 -12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.003 -0.049 -13.821 1.00 0.00 H new ATOM 665 N ILE A 44 2.585 -0.367 -9.553 1.00 0.00 N ATOM 666 CA ILE A 44 1.441 0.000 -8.727 1.00 0.00 C ATOM 667 C ILE A 44 1.768 1.187 -7.831 1.00 0.00 C ATOM 668 O ILE A 44 0.963 2.108 -7.685 1.00 0.00 O ATOM 669 CB ILE A 44 0.973 -1.178 -7.854 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.401 -2.297 -8.728 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.058 -0.711 -6.839 1.00 0.00 C ATOM 672 CD1 ILE A 44 0.170 -3.593 -7.987 1.00 0.00 C ATOM 0 H ILE A 44 2.994 -1.273 -9.326 1.00 0.00 H new ATOM 0 HA ILE A 44 0.636 0.275 -9.409 1.00 0.00 H new ATOM 0 HB ILE A 44 1.833 -1.571 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.543 -1.962 -9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.083 -2.481 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.378 -1.557 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.383 0.052 -6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.919 -0.293 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.236 -4.337 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.115 -3.953 -7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.536 -3.426 -7.173 1.00 0.00 H new ATOM 684 N PHE A 45 2.952 1.161 -7.230 1.00 0.00 N ATOM 685 CA PHE A 45 3.400 2.250 -6.370 1.00 0.00 C ATOM 686 C PHE A 45 3.368 3.583 -7.106 1.00 0.00 C ATOM 687 O PHE A 45 2.826 4.567 -6.604 1.00 0.00 O ATOM 688 CB PHE A 45 4.810 1.972 -5.846 1.00 0.00 C ATOM 689 CG PHE A 45 5.345 3.046 -4.943 1.00 0.00 C ATOM 690 CD1 PHE A 45 5.012 3.069 -3.596 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.179 4.037 -5.437 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.502 4.059 -2.765 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.671 5.026 -4.609 1.00 0.00 C ATOM 694 CZ PHE A 45 6.333 5.036 -3.270 1.00 0.00 C ATOM 0 H PHE A 45 3.620 0.396 -7.323 1.00 0.00 H new ATOM 0 HA PHE A 45 2.714 2.312 -5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.806 1.025 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.485 1.853 -6.693 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.363 2.305 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.447 4.035 -6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.233 4.067 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.320 5.792 -5.008 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.719 5.807 -2.620 1.00 0.00 H new ATOM 704 N GLY A 46 3.952 3.607 -8.300 1.00 0.00 N ATOM 705 CA GLY A 46 4.024 4.829 -9.092 1.00 0.00 C ATOM 706 C GLY A 46 2.636 5.294 -9.516 1.00 0.00 C ATOM 707 O GLY A 46 2.335 6.487 -9.489 1.00 0.00 O ATOM 0 H GLY A 46 4.382 2.794 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.512 5.613 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.638 4.657 -9.976 1.00 0.00 H new ATOM 711 N ASP A 47 1.794 4.343 -9.907 1.00 0.00 N ATOM 712 CA ASP A 47 0.445 4.655 -10.363 1.00 0.00 C ATOM 713 C ASP A 47 -0.427 5.138 -9.212 1.00 0.00 C ATOM 714 O ASP A 47 -1.287 6.001 -9.391 1.00 0.00 O ATOM 715 CB ASP A 47 -0.193 3.435 -11.030 1.00 0.00 C ATOM 716 CG ASP A 47 0.355 3.116 -12.415 1.00 0.00 C ATOM 717 OD1 ASP A 47 1.041 3.944 -12.966 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.218 1.994 -12.842 1.00 0.00 O ATOM 0 H ASP A 47 2.023 3.349 -9.917 1.00 0.00 H new ATOM 0 HA ASP A 47 0.519 5.459 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.048 2.567 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.268 3.599 -11.107 1.00 0.00 H new ATOM 723 N SER A 48 -0.203 4.576 -8.029 1.00 0.00 N ATOM 724 CA SER A 48 -1.001 4.912 -6.857 1.00 0.00 C ATOM 725 C SER A 48 -0.556 6.235 -6.247 1.00 0.00 C ATOM 726 O SER A 48 -1.353 6.946 -5.636 1.00 0.00 O ATOM 727 CB SER A 48 -0.912 3.800 -5.829 1.00 0.00 C ATOM 728 OG SER A 48 -1.512 2.617 -6.279 1.00 0.00 O ATOM 0 H SER A 48 0.527 3.884 -7.857 1.00 0.00 H new ATOM 0 HA SER A 48 -2.038 5.022 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.135 3.608 -5.593 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.393 4.121 -4.905 1.00 0.00 H new ATOM 0 HG SER A 48 -0.885 2.130 -6.854 1.00 0.00 H new ATOM 734 N ASP A 49 0.720 6.559 -6.417 1.00 0.00 N ATOM 735 CA ASP A 49 1.250 7.844 -5.976 1.00 0.00 C ATOM 736 C ASP A 49 0.816 8.967 -6.910 1.00 0.00 C ATOM 737 O ASP A 49 1.571 9.380 -7.791 1.00 0.00 O ATOM 738 CB ASP A 49 2.777 7.794 -5.888 1.00 0.00 C ATOM 739 CG ASP A 49 3.413 9.039 -5.285 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.693 9.954 -4.964 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.589 9.005 -5.006 1.00 0.00 O ATOM 0 H ASP A 49 1.408 5.949 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 49 0.846 8.048 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.066 6.928 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.182 7.642 -6.889 1.00 0.00 H new ATOM 746 N THR A 50 -0.402 9.458 -6.712 1.00 0.00 N ATOM 747 CA THR A 50 -0.977 10.463 -7.598 1.00 0.00 C ATOM 748 C THR A 50 -0.383 11.840 -7.328 1.00 0.00 C ATOM 749 O THR A 50 -0.344 12.694 -8.215 1.00 0.00 O ATOM 750 CB THR A 50 -2.508 10.537 -7.450 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.843 10.911 -6.108 1.00 0.00 O ATOM 752 CG2 THR A 50 -3.141 9.192 -7.771 1.00 0.00 C ATOM 0 H THR A 50 -1.011 9.176 -5.944 1.00 0.00 H new ATOM 0 HA THR A 50 -0.734 10.160 -8.616 1.00 0.00 H new ATOM 0 HB THR A 50 -2.890 11.282 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.085 10.720 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.223 9.264 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.898 8.911 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.756 8.436 -7.087 1.00 0.00 H new ATOM 760 N ASP A 51 0.076 12.049 -6.100 1.00 0.00 N ATOM 761 CA ASP A 51 0.725 13.301 -5.728 1.00 0.00 C ATOM 762 C ASP A 51 2.181 13.324 -6.178 1.00 0.00 C ATOM 763 O ASP A 51 2.838 14.363 -6.133 1.00 0.00 O ATOM 764 CB ASP A 51 0.639 13.522 -4.216 1.00 0.00 C ATOM 765 CG ASP A 51 -0.753 13.875 -3.709 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.588 14.216 -4.514 1.00 0.00 O ATOM 767 OD2 ASP A 51 -1.016 13.652 -2.552 1.00 0.00 O ATOM 0 H ASP A 51 0.011 11.367 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 51 0.199 14.110 -6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.978 12.619 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.327 14.321 -3.938 1.00 0.00 H new ATOM 772 N LYS A 52 2.677 12.170 -6.612 1.00 0.00 N ATOM 773 CA LYS A 52 4.055 12.056 -7.076 1.00 0.00 C ATOM 774 C LYS A 52 5.035 12.542 -6.015 1.00 0.00 C ATOM 775 O LYS A 52 6.003 13.236 -6.323 1.00 0.00 O ATOM 776 CB LYS A 52 4.251 12.843 -8.373 1.00 0.00 C ATOM 777 CG LYS A 52 3.368 12.385 -9.525 1.00 0.00 C ATOM 778 CD LYS A 52 3.623 13.209 -10.779 1.00 0.00 C ATOM 779 CE LYS A 52 2.693 12.797 -11.911 1.00 0.00 C ATOM 780 NZ LYS A 52 2.878 13.647 -13.119 1.00 0.00 N ATOM 0 H LYS A 52 2.145 11.300 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 52 4.256 11.002 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.055 13.897 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.295 12.764 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.557 11.332 -9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.320 12.470 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.482 14.267 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.659 13.085 -11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.876 11.754 -12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.659 12.865 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.226 13.334 -13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.679 14.639 -12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.858 13.562 -13.456 1.00 0.00 H new ATOM 794 N ASN A 53 4.777 12.174 -4.765 1.00 0.00 N ATOM 795 CA ASN A 53 5.599 12.623 -3.648 1.00 0.00 C ATOM 796 C ASN A 53 6.654 11.586 -3.287 1.00 0.00 C ATOM 797 O ASN A 53 7.493 11.816 -2.417 1.00 0.00 O ATOM 798 CB ASN A 53 4.752 12.954 -2.433 1.00 0.00 C ATOM 799 CG ASN A 53 3.938 14.209 -2.587 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.300 15.120 -3.342 1.00 0.00 O ATOM 801 ND2 ASN A 53 2.885 14.298 -1.815 1.00 0.00 N ATOM 0 H ASN A 53 4.003 11.565 -4.500 1.00 0.00 H new ATOM 0 HA ASN A 53 6.106 13.533 -3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.081 12.119 -2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.403 13.058 -1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.321 15.148 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.629 13.518 -1.210 1.00 0.00 H new ATOM 808 N GLY A 54 6.606 10.441 -3.961 1.00 0.00 N ATOM 809 CA GLY A 54 7.512 9.339 -3.664 1.00 0.00 C ATOM 810 C GLY A 54 6.984 8.486 -2.517 1.00 0.00 C ATOM 811 O GLY A 54 7.756 7.962 -1.714 1.00 0.00 O ATOM 0 H GLY A 54 5.948 10.253 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.640 8.720 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.495 9.732 -3.406 1.00 0.00 H new ATOM 815 N ARG A 55 5.665 8.351 -2.445 1.00 0.00 N ATOM 816 CA ARG A 55 5.023 7.683 -1.319 1.00 0.00 C ATOM 817 C ARG A 55 3.532 7.493 -1.568 1.00 0.00 C ATOM 818 O ARG A 55 2.925 8.227 -2.347 1.00 0.00 O ATOM 819 CB ARG A 55 5.280 8.402 -0.003 1.00 0.00 C ATOM 820 CG ARG A 55 4.700 9.804 0.084 1.00 0.00 C ATOM 821 CD ARG A 55 4.951 10.491 1.376 1.00 0.00 C ATOM 822 NE ARG A 55 4.555 11.890 1.403 1.00 0.00 N ATOM 823 CZ ARG A 55 3.309 12.327 1.672 1.00 0.00 C ATOM 824 NH1 ARG A 55 2.329 11.482 1.901 1.00 0.00 N ATOM 825 NH2 ARG A 55 3.092 13.631 1.676 1.00 0.00 N ATOM 0 H ARG A 55 5.018 8.696 -3.154 1.00 0.00 H new ATOM 0 HA ARG A 55 5.476 6.695 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.867 7.803 0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.356 8.459 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.117 10.408 -0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.624 9.750 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.417 9.960 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.014 10.423 1.609 1.00 0.00 H new ATOM 0 HE ARG A 55 5.270 12.589 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.505 10.478 1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.392 11.830 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.857 14.276 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.159 13.992 1.876 1.00 0.00 H new ATOM 839 N ILE A 56 2.948 6.502 -0.903 1.00 0.00 N ATOM 840 CA ILE A 56 1.504 6.302 -0.938 1.00 0.00 C ATOM 841 C ILE A 56 0.829 6.932 0.274 1.00 0.00 C ATOM 842 O ILE A 56 1.022 6.486 1.405 1.00 0.00 O ATOM 843 CB ILE A 56 1.142 4.807 -0.996 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.876 4.125 -2.153 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.362 4.629 -1.136 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.601 4.748 -3.503 1.00 0.00 C ATOM 0 H ILE A 56 3.453 5.824 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 56 1.143 6.789 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 56 1.457 4.337 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.948 4.158 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.589 3.074 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.600 3.566 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.863 5.082 -0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.702 5.111 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.156 4.210 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.534 4.691 -3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.914 5.792 -3.493 1.00 0.00 H new ATOM 858 N ASP A 57 0.039 7.972 0.031 1.00 0.00 N ATOM 859 CA ASP A 57 -0.687 8.648 1.099 1.00 0.00 C ATOM 860 C ASP A 57 -1.851 7.801 1.596 1.00 0.00 C ATOM 861 O ASP A 57 -2.146 6.745 1.037 1.00 0.00 O ATOM 862 CB ASP A 57 -1.195 10.011 0.624 1.00 0.00 C ATOM 863 CG ASP A 57 -1.363 11.042 1.732 1.00 0.00 C ATOM 864 OD1 ASP A 57 -1.196 10.688 2.876 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.501 12.201 1.422 1.00 0.00 O ATOM 0 H ASP A 57 -0.115 8.365 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 57 0.005 8.797 1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.502 10.404 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.154 9.873 0.124 1.00 0.00 H new ATOM 870 N PHE A 58 -2.511 8.270 2.650 1.00 0.00 N ATOM 871 CA PHE A 58 -3.652 7.562 3.217 1.00 0.00 C ATOM 872 C PHE A 58 -4.803 7.488 2.222 1.00 0.00 C ATOM 873 O PHE A 58 -5.393 6.426 2.018 1.00 0.00 O ATOM 874 CB PHE A 58 -4.115 8.241 4.508 1.00 0.00 C ATOM 875 CG PHE A 58 -5.268 7.549 5.176 1.00 0.00 C ATOM 876 CD1 PHE A 58 -5.078 6.362 5.867 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.547 8.083 5.115 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.139 5.725 6.483 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.608 7.449 5.730 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.403 6.268 6.414 1.00 0.00 C ATOM 0 H PHE A 58 -2.274 9.139 3.129 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.334 6.545 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.278 8.286 5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.400 9.269 4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.090 5.930 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.715 9.006 4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.977 4.801 7.019 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.598 7.877 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.232 5.770 6.894 1.00 0.00 H new ATOM 890 N ASP A 59 -5.120 8.621 1.605 1.00 0.00 N ATOM 891 CA ASP A 59 -6.157 8.673 0.580 1.00 0.00 C ATOM 892 C ASP A 59 -5.773 7.834 -0.632 1.00 0.00 C ATOM 893 O ASP A 59 -6.616 7.160 -1.224 1.00 0.00 O ATOM 894 CB ASP A 59 -6.421 10.119 0.157 1.00 0.00 C ATOM 895 CG ASP A 59 -7.174 10.949 1.188 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.693 10.377 2.118 1.00 0.00 O ATOM 897 OD2 ASP A 59 -7.091 12.152 1.128 1.00 0.00 O ATOM 0 H ASP A 59 -4.673 9.518 1.797 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.070 8.258 1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.467 10.603 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.989 10.115 -0.773 1.00 0.00 H new ATOM 902 N GLU A 60 -4.496 7.881 -0.997 1.00 0.00 N ATOM 903 CA GLU A 60 -3.977 7.051 -2.078 1.00 0.00 C ATOM 904 C GLU A 60 -3.947 5.581 -1.678 1.00 0.00 C ATOM 905 O GLU A 60 -4.090 4.695 -2.521 1.00 0.00 O ATOM 906 CB GLU A 60 -2.577 7.514 -2.486 1.00 0.00 C ATOM 907 CG GLU A 60 -2.541 8.865 -3.186 1.00 0.00 C ATOM 908 CD GLU A 60 -1.132 9.372 -3.322 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.250 8.779 -2.749 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.921 10.283 -4.086 1.00 0.00 O ATOM 0 H GLU A 60 -3.801 8.486 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.647 7.159 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.950 7.563 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.137 6.765 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.995 8.778 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.136 9.584 -2.624 1.00 0.00 H new ATOM 917 N PHE A 61 -3.761 5.328 -0.387 1.00 0.00 N ATOM 918 CA PHE A 61 -3.811 3.971 0.143 1.00 0.00 C ATOM 919 C PHE A 61 -5.214 3.389 0.031 1.00 0.00 C ATOM 920 O PHE A 61 -5.386 2.225 -0.336 1.00 0.00 O ATOM 921 CB PHE A 61 -3.347 3.949 1.601 1.00 0.00 C ATOM 922 CG PHE A 61 -3.510 2.614 2.268 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.567 1.613 2.092 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.609 2.354 3.075 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.716 0.384 2.706 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.760 1.127 3.690 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.813 0.141 3.506 1.00 0.00 C ATOM 0 H PHE A 61 -3.574 6.046 0.312 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.137 3.354 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.297 4.240 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.908 4.696 2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.705 1.796 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.355 3.121 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.973 -0.386 2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.620 0.939 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.930 -0.819 3.987 1.00 0.00 H new ATOM 937 N LEU A 62 -6.214 4.202 0.349 1.00 0.00 N ATOM 938 CA LEU A 62 -7.607 3.787 0.230 1.00 0.00 C ATOM 939 C LEU A 62 -7.944 3.394 -1.204 1.00 0.00 C ATOM 940 O LEU A 62 -8.621 2.394 -1.440 1.00 0.00 O ATOM 941 CB LEU A 62 -8.538 4.909 0.707 1.00 0.00 C ATOM 942 CG LEU A 62 -8.457 5.230 2.205 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.257 6.489 2.513 1.00 0.00 C ATOM 944 CD2 LEU A 62 -8.981 4.049 3.008 1.00 0.00 C ATOM 0 H LEU A 62 -6.086 5.154 0.692 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.754 2.912 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.308 5.814 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.565 4.635 0.465 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.418 5.409 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.194 6.709 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.851 7.326 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.300 6.334 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.923 4.278 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.018 3.855 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.378 3.167 2.793 1.00 0.00 H new ATOM 956 N LYS A 63 -7.465 4.186 -2.157 1.00 0.00 N ATOM 957 CA LYS A 63 -7.683 3.902 -3.571 1.00 0.00 C ATOM 958 C LYS A 63 -6.851 2.710 -4.026 1.00 0.00 C ATOM 959 O LYS A 63 -7.294 1.911 -4.851 1.00 0.00 O ATOM 960 CB LYS A 63 -7.353 5.129 -4.421 1.00 0.00 C ATOM 961 CG LYS A 63 -8.303 6.303 -4.227 1.00 0.00 C ATOM 962 CD LYS A 63 -7.874 7.506 -5.054 1.00 0.00 C ATOM 963 CE LYS A 63 -8.776 8.704 -4.798 1.00 0.00 C ATOM 964 NZ LYS A 63 -8.329 9.908 -5.552 1.00 0.00 N ATOM 0 H LYS A 63 -6.923 5.031 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.736 3.654 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.339 5.455 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.361 4.841 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.313 6.006 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.335 6.577 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.843 7.766 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.899 7.249 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.798 8.456 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.788 8.928 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.970 10.702 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.363 10.161 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.342 9.704 -6.572 1.00 0.00 H new ATOM 978 N MET A 64 -5.643 2.596 -3.485 1.00 0.00 N ATOM 979 CA MET A 64 -4.746 1.502 -3.836 1.00 0.00 C ATOM 980 C MET A 64 -5.314 0.160 -3.393 1.00 0.00 C ATOM 981 O MET A 64 -5.274 -0.819 -4.140 1.00 0.00 O ATOM 982 CB MET A 64 -3.371 1.725 -3.210 1.00 0.00 C ATOM 983 CG MET A 64 -2.347 0.647 -3.537 1.00 0.00 C ATOM 984 SD MET A 64 -0.733 0.975 -2.803 1.00 0.00 S ATOM 985 CE MET A 64 -1.070 0.634 -1.078 1.00 0.00 C ATOM 0 H MET A 64 -5.262 3.249 -2.800 1.00 0.00 H new ATOM 0 HA MET A 64 -4.645 1.484 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.985 2.688 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.484 1.785 -2.128 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.714 -0.316 -3.183 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.240 0.569 -4.619 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.131 0.583 -0.527 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.691 1.429 -0.665 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.594 -0.318 -0.991 1.00 0.00 H new ATOM 995 N MET A 65 -5.843 0.119 -2.175 1.00 0.00 N ATOM 996 CA MET A 65 -6.430 -1.101 -1.634 1.00 0.00 C ATOM 997 C MET A 65 -7.789 -1.383 -2.261 1.00 0.00 C ATOM 998 O MET A 65 -8.191 -2.539 -2.401 1.00 0.00 O ATOM 999 CB MET A 65 -6.559 -0.997 -0.116 1.00 0.00 C ATOM 1000 CG MET A 65 -5.231 -0.974 0.628 1.00 0.00 C ATOM 1001 SD MET A 65 -4.212 -2.420 0.276 1.00 0.00 S ATOM 1002 CE MET A 65 -5.175 -3.713 1.055 1.00 0.00 C ATOM 0 H MET A 65 -5.877 0.919 -1.543 1.00 0.00 H new ATOM 0 HA MET A 65 -5.767 -1.931 -1.878 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.114 -0.091 0.128 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.149 -1.839 0.245 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.682 -0.073 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.421 -0.920 1.700 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.581 -4.625 1.111 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.457 -3.401 2.061 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.074 -3.901 0.468 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.494 -0.321 -2.636 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.754 -0.454 -3.357 1.00 0.00 C ATOM 1014 C GLU A 66 -9.552 -1.150 -4.697 1.00 0.00 C ATOM 1015 O GLU A 66 -10.367 -1.976 -5.108 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.397 0.918 -3.570 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.744 0.879 -4.279 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.349 2.252 -4.377 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.747 3.182 -3.897 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -13.358 2.388 -5.030 1.00 0.00 O ATOM 0 H GLU A 66 -8.214 0.642 -2.452 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.421 -1.068 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.524 1.400 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.714 1.540 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.620 0.462 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.422 0.218 -3.740 1.00 0.00 H new ATOM 1027 N ASN A 67 -8.461 -0.811 -5.375 1.00 0.00 N ATOM 1028 CA ASN A 67 -8.128 -1.432 -6.651 1.00 0.00 C ATOM 1029 C ASN A 67 -6.911 -2.339 -6.522 1.00 0.00 C ATOM 1030 O ASN A 67 -6.115 -2.462 -7.454 1.00 0.00 O ATOM 1031 CB ASN A 67 -7.894 -0.392 -7.731 1.00 0.00 C ATOM 1032 CG ASN A 67 -9.114 0.425 -8.059 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -10.107 -0.091 -8.586 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -9.015 1.708 -7.826 1.00 0.00 N ATOM 0 H ASN A 67 -7.791 -0.108 -5.061 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.983 -2.041 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.095 0.277 -7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.549 -0.892 -8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.779 2.333 -8.082 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.174 2.083 -7.388 1.00 0.00 H new ATOM 1041 N VAL A 68 -6.772 -2.972 -5.363 1.00 0.00 N ATOM 1042 CA VAL A 68 -5.684 -3.915 -5.130 1.00 0.00 C ATOM 1043 C VAL A 68 -5.808 -5.134 -6.036 1.00 0.00 C ATOM 1044 O VAL A 68 -6.909 -5.630 -6.278 1.00 0.00 O ATOM 1045 CB VAL A 68 -5.641 -4.379 -3.663 1.00 0.00 C ATOM 1046 CG1 VAL A 68 -6.832 -5.274 -3.353 1.00 0.00 C ATOM 1047 CG2 VAL A 68 -4.338 -5.108 -3.371 1.00 0.00 C ATOM 0 H VAL A 68 -7.400 -2.849 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.758 -3.388 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.694 -3.499 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.786 -5.593 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.756 -4.722 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.808 -6.149 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.326 -5.428 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.256 -5.980 -4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.498 -4.439 -3.554 1.00 0.00 H new ATOM 1057 N GLN A 69 -4.673 -5.614 -6.533 1.00 0.00 N ATOM 1058 CA GLN A 69 -4.652 -6.784 -7.402 1.00 0.00 C ATOM 1059 C GLN A 69 -5.634 -7.844 -6.923 1.00 0.00 C ATOM 1060 O GLN A 69 -6.803 -7.739 -7.175 1.00 0.00 O ATOM 1061 CB GLN A 69 -3.242 -7.378 -7.469 1.00 0.00 C ATOM 1062 CG GLN A 69 -3.117 -8.585 -8.381 1.00 0.00 C ATOM 1063 CD GLN A 69 -3.324 -8.232 -9.841 1.00 0.00 C ATOM 1064 OE1 GLN A 69 -2.923 -7.157 -10.296 1.00 0.00 O ATOM 1065 NE2 GLN A 69 -3.955 -9.134 -10.584 1.00 0.00 N ATOM 1066 OXT GLN A 69 -5.240 -8.786 -6.292 1.00 0.00 O ATOM 0 H GLN A 69 -3.755 -5.210 -6.348 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.952 -6.460 -8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.551 -6.607 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.932 -7.663 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.131 -9.032 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.848 -9.338 -8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.269 -10.010 -10.166 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.125 -8.951 -11.573 1.00 0.00 H new TER 1075 GLN A 69