USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 762 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 55 GLN : amide:sc= -0.0108 X(o=-0.011,f=0.0037) USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-2.9!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 12 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.0073) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.748 K(o=0.75,f=-1.8) USER MOD Single : A 23 THR OG1 : rot 76:sc= 0.598 USER MOD Single : A 24 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.22) USER MOD Single : A 27 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.611 X(o=-0.61,f=-1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 93:sc= -1.47 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.45 K(o=-1.4,f=-5.1!) USER MOD Single : A 68 SER OG : rot 79:sc=0.000336 USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= -0.287 (180deg=-0.858) USER MOD Single : A 74 SER OG : rot -80:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0052 X(o=-0.0052,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.0745 X(o=0.075,f=0) USER MOD Single : A 88 TYR OH : rot 164:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.809 10.892 9.742 1.00 0.00 N ATOM 69 CA HIS A 8 -7.176 10.362 8.541 1.00 0.00 C ATOM 70 C HIS A 8 -8.154 9.496 7.748 1.00 0.00 C ATOM 71 O HIS A 8 -8.105 8.268 7.818 1.00 0.00 O ATOM 72 CB HIS A 8 -5.938 9.544 8.912 1.00 0.00 C ATOM 73 CG HIS A 8 -5.016 10.249 9.858 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.841 9.884 11.174 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.206 11.319 9.656 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.950 10.724 11.718 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.534 11.614 10.838 1.00 0.00 N ATOM 0 HA HIS A 8 -6.874 11.203 7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.256 8.603 9.361 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.391 9.295 8.003 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.100 11.856 8.725 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.616 10.678 12.744 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.859 12.363 10.992 1.00 0.00 H new ATOM 85 N PRO A 9 -9.058 10.129 6.982 1.00 0.00 N ATOM 86 CA PRO A 9 -10.053 9.412 6.176 1.00 0.00 C ATOM 87 C PRO A 9 -9.427 8.353 5.272 1.00 0.00 C ATOM 88 O PRO A 9 -10.096 7.407 4.856 1.00 0.00 O ATOM 89 CB PRO A 9 -10.694 10.519 5.335 1.00 0.00 C ATOM 90 CG PRO A 9 -10.496 11.762 6.129 1.00 0.00 C ATOM 91 CD PRO A 9 -9.185 11.592 6.845 1.00 0.00 C ATOM 0 HA PRO A 9 -10.759 8.865 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.222 10.596 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.753 10.323 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.476 12.639 5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.312 11.907 6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.358 12.016 6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.190 12.088 7.816 1.00 0.00 H new ATOM 99 N HIS A 10 -8.145 8.518 4.964 1.00 0.00 N ATOM 100 CA HIS A 10 -7.440 7.575 4.102 1.00 0.00 C ATOM 101 C HIS A 10 -6.724 6.504 4.921 1.00 0.00 C ATOM 102 O HIS A 10 -6.749 5.324 4.572 1.00 0.00 O ATOM 103 CB HIS A 10 -6.433 8.314 3.218 1.00 0.00 C ATOM 104 CG HIS A 10 -7.072 9.158 2.160 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.167 10.529 2.225 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.655 8.797 0.988 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.792 10.952 1.117 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.109 9.939 0.333 1.00 0.00 N ATOM 0 H HIS A 10 -7.573 9.294 5.297 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.180 7.084 3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.806 8.947 3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.776 7.586 2.743 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.751 7.785 0.622 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.008 11.987 0.895 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.588 9.983 -0.567 1.00 0.00 H new ATOM 116 N ILE A 11 -6.083 6.922 6.008 1.00 0.00 N ATOM 117 CA ILE A 11 -5.357 5.995 6.868 1.00 0.00 C ATOM 118 C ILE A 11 -6.313 5.096 7.646 1.00 0.00 C ATOM 119 O ILE A 11 -6.073 3.897 7.790 1.00 0.00 O ATOM 120 CB ILE A 11 -4.449 6.742 7.863 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.598 7.782 7.132 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.563 5.759 8.614 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.706 8.589 8.051 1.00 0.00 C ATOM 0 H ILE A 11 -6.052 7.895 6.313 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.739 5.381 6.214 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.079 7.260 8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.979 7.277 6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.256 8.461 6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.927 6.303 9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.186 5.054 9.163 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.939 5.215 7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.132 9.306 7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.319 9.123 8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.023 7.920 8.575 1.00 0.00 H new ATOM 135 N GLN A 12 -7.397 5.680 8.148 1.00 0.00 N ATOM 136 CA GLN A 12 -8.385 4.928 8.914 1.00 0.00 C ATOM 137 C GLN A 12 -8.946 3.770 8.092 1.00 0.00 C ATOM 138 O GLN A 12 -9.306 2.726 8.635 1.00 0.00 O ATOM 139 CB GLN A 12 -9.520 5.849 9.369 1.00 0.00 C ATOM 140 CG GLN A 12 -9.693 5.898 10.879 1.00 0.00 C ATOM 141 CD GLN A 12 -11.047 5.384 11.330 1.00 0.00 C ATOM 142 OE1 GLN A 12 -11.744 6.036 12.107 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.427 4.209 10.842 1.00 0.00 N ATOM 0 H GLN A 12 -7.613 6.671 8.038 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.890 4.516 9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.329 6.857 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.453 5.515 8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.909 5.305 11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.566 6.925 11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.817 3.702 10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.328 3.813 11.109 1.00 0.00 H new ATOM 152 N LEU A 13 -9.019 3.964 6.778 1.00 0.00 N ATOM 153 CA LEU A 13 -9.535 2.936 5.882 1.00 0.00 C ATOM 154 C LEU A 13 -8.640 1.701 5.897 1.00 0.00 C ATOM 155 O LEU A 13 -9.110 0.579 5.712 1.00 0.00 O ATOM 156 CB LEU A 13 -9.651 3.482 4.458 1.00 0.00 C ATOM 157 CG LEU A 13 -10.814 4.448 4.226 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.749 5.035 2.825 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.143 3.744 4.452 1.00 0.00 C ATOM 0 H LEU A 13 -8.727 4.823 6.311 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.526 2.647 6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.721 3.990 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.754 2.642 3.771 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.732 5.265 4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.584 5.720 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.811 5.575 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.805 4.231 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.960 4.446 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.234 2.907 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.189 3.374 5.476 1.00 0.00 H new ATOM 171 N LEU A 14 -7.347 1.917 6.117 1.00 0.00 N ATOM 172 CA LEU A 14 -6.385 0.822 6.157 1.00 0.00 C ATOM 173 C LEU A 14 -6.400 0.134 7.518 1.00 0.00 C ATOM 174 O LEU A 14 -6.362 -1.094 7.604 1.00 0.00 O ATOM 175 CB LEU A 14 -4.978 1.340 5.851 1.00 0.00 C ATOM 176 CG LEU A 14 -4.796 1.929 4.451 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.595 2.862 4.417 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.640 0.819 3.422 1.00 0.00 C ATOM 0 H LEU A 14 -6.942 2.840 6.270 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.670 0.093 5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.720 2.103 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.270 0.521 5.979 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.686 2.506 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.481 3.272 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.746 3.676 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.696 2.308 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.512 1.256 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.767 0.215 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.530 0.190 3.428 1.00 0.00 H new ATOM 190 N LYS A 15 -6.458 0.932 8.578 1.00 0.00 N ATOM 191 CA LYS A 15 -6.480 0.399 9.936 1.00 0.00 C ATOM 192 C LYS A 15 -7.765 -0.377 10.195 1.00 0.00 C ATOM 193 O LYS A 15 -7.731 -1.535 10.611 1.00 0.00 O ATOM 194 CB LYS A 15 -6.341 1.533 10.953 1.00 0.00 C ATOM 195 CG LYS A 15 -4.986 2.220 10.919 1.00 0.00 C ATOM 196 CD LYS A 15 -4.911 3.356 11.927 1.00 0.00 C ATOM 197 CE LYS A 15 -3.581 4.087 11.845 1.00 0.00 C ATOM 198 NZ LYS A 15 -2.519 3.397 12.628 1.00 0.00 N ATOM 0 H LYS A 15 -6.491 1.950 8.524 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.637 -0.283 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.119 2.274 10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.512 1.135 11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.203 1.492 11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.799 2.608 9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.725 4.058 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.048 2.960 12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.272 4.163 10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.703 5.105 12.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.628 3.927 12.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.802 3.347 13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.385 2.434 12.258 1.00 0.00 H new ATOM 212 N SER A 16 -8.900 0.267 9.945 1.00 0.00 N ATOM 213 CA SER A 16 -10.199 -0.363 10.150 1.00 0.00 C ATOM 214 C SER A 16 -10.344 -1.606 9.280 1.00 0.00 C ATOM 215 O SER A 16 -10.803 -2.652 9.744 1.00 0.00 O ATOM 216 CB SER A 16 -11.324 0.626 9.839 1.00 0.00 C ATOM 217 OG SER A 16 -12.406 0.470 10.741 1.00 0.00 O ATOM 0 H SER A 16 -8.947 1.226 9.600 1.00 0.00 H new ATOM 0 HA SER A 16 -10.268 -0.664 11.195 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.942 1.645 9.897 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.673 0.474 8.818 1.00 0.00 H new ATOM 0 HG SER A 16 -13.111 1.115 10.521 1.00 0.00 H new ATOM 223 N ASN A 17 -9.950 -1.487 8.017 1.00 0.00 N ATOM 224 CA ASN A 17 -10.036 -2.603 7.081 1.00 0.00 C ATOM 225 C ASN A 17 -8.675 -3.266 6.898 1.00 0.00 C ATOM 226 O ASN A 17 -8.326 -3.699 5.800 1.00 0.00 O ATOM 227 CB ASN A 17 -10.567 -2.121 5.730 1.00 0.00 C ATOM 228 CG ASN A 17 -11.820 -1.279 5.867 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.938 -1.782 5.738 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.642 0.009 6.133 1.00 0.00 N ATOM 0 H ASN A 17 -9.568 -0.630 7.617 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.726 -3.339 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.795 -1.539 5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.780 -2.983 5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.449 0.624 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.698 0.384 6.232 1.00 0.00 H new ATOM 237 N ARG A 18 -7.910 -3.341 7.983 1.00 0.00 N ATOM 238 CA ARG A 18 -6.586 -3.952 7.943 1.00 0.00 C ATOM 239 C ARG A 18 -6.689 -5.471 7.854 1.00 0.00 C ATOM 240 O ARG A 18 -5.933 -6.113 7.125 1.00 0.00 O ATOM 241 CB ARG A 18 -5.782 -3.556 9.184 1.00 0.00 C ATOM 242 CG ARG A 18 -4.332 -4.009 9.139 1.00 0.00 C ATOM 243 CD ARG A 18 -3.840 -4.448 10.509 1.00 0.00 C ATOM 244 NE ARG A 18 -2.651 -3.707 10.927 1.00 0.00 N ATOM 245 CZ ARG A 18 -2.683 -2.475 11.429 1.00 0.00 C ATOM 246 NH1 ARG A 18 -3.839 -1.841 11.576 1.00 0.00 N ATOM 247 NH2 ARG A 18 -1.554 -1.876 11.783 1.00 0.00 N ATOM 0 H ARG A 18 -8.184 -2.987 8.899 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.072 -3.588 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.812 -2.472 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.260 -3.981 10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.230 -4.834 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.707 -3.195 8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.633 -4.304 11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.614 -5.514 10.489 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.743 -4.161 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.709 -2.298 11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.857 -0.897 11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.663 -2.360 11.670 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.577 -0.932 12.168 1.00 0.00 H new ATOM 261 N GLU A 19 -7.629 -6.040 8.601 1.00 0.00 N ATOM 262 CA GLU A 19 -7.831 -7.484 8.607 1.00 0.00 C ATOM 263 C GLU A 19 -8.480 -7.950 7.307 1.00 0.00 C ATOM 264 O GLU A 19 -8.217 -9.054 6.831 1.00 0.00 O ATOM 265 CB GLU A 19 -8.698 -7.895 9.799 1.00 0.00 C ATOM 266 CG GLU A 19 -7.977 -7.810 11.134 1.00 0.00 C ATOM 267 CD GLU A 19 -6.752 -8.701 11.191 1.00 0.00 C ATOM 268 OE1 GLU A 19 -6.919 -9.937 11.261 1.00 0.00 O ATOM 269 OE2 GLU A 19 -5.624 -8.164 11.167 1.00 0.00 O ATOM 0 H GLU A 19 -8.263 -5.523 9.210 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.855 -7.960 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.582 -7.258 9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.047 -8.917 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.680 -6.777 11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.664 -8.091 11.933 1.00 0.00 H new ATOM 276 N LEU A 20 -9.329 -7.099 6.738 1.00 0.00 N ATOM 277 CA LEU A 20 -10.015 -7.423 5.494 1.00 0.00 C ATOM 278 C LEU A 20 -9.063 -7.329 4.306 1.00 0.00 C ATOM 279 O LEU A 20 -9.207 -8.055 3.322 1.00 0.00 O ATOM 280 CB LEU A 20 -11.204 -6.483 5.284 1.00 0.00 C ATOM 281 CG LEU A 20 -12.088 -6.815 4.080 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.193 -7.779 4.478 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.676 -5.543 3.486 1.00 0.00 C ATOM 0 H LEU A 20 -9.557 -6.181 7.119 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.378 -8.448 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.821 -6.496 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.828 -5.466 5.170 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.471 -7.297 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.811 -8.003 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.752 -8.701 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.809 -7.325 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.302 -5.797 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.279 -5.035 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.869 -4.886 3.163 1.00 0.00 H new ATOM 295 N LEU A 21 -8.090 -6.429 4.404 1.00 0.00 N ATOM 296 CA LEU A 21 -7.114 -6.239 3.338 1.00 0.00 C ATOM 297 C LEU A 21 -6.156 -7.424 3.255 1.00 0.00 C ATOM 298 O LEU A 21 -5.669 -7.767 2.179 1.00 0.00 O ATOM 299 CB LEU A 21 -6.325 -4.947 3.565 1.00 0.00 C ATOM 300 CG LEU A 21 -7.011 -3.675 3.067 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.324 -2.442 3.633 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.015 -3.633 1.545 1.00 0.00 C ATOM 0 H LEU A 21 -7.957 -5.820 5.211 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.655 -6.167 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.128 -4.842 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.358 -5.038 3.070 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.044 -3.682 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.826 -1.546 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.372 -2.466 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.281 -2.429 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.507 -2.721 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.989 -3.649 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.552 -4.499 1.159 1.00 0.00 H new ATOM 314 N VAL A 22 -5.892 -8.046 4.401 1.00 0.00 N ATOM 315 CA VAL A 22 -4.994 -9.192 4.457 1.00 0.00 C ATOM 316 C VAL A 22 -5.676 -10.453 3.936 1.00 0.00 C ATOM 317 O VAL A 22 -5.021 -11.346 3.398 1.00 0.00 O ATOM 318 CB VAL A 22 -4.497 -9.446 5.893 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.441 -10.542 5.909 1.00 0.00 C ATOM 320 CG2 VAL A 22 -3.952 -8.164 6.507 1.00 0.00 C ATOM 0 H VAL A 22 -6.287 -7.775 5.301 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.141 -8.956 3.821 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.343 -9.779 6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.103 -10.706 6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.868 -11.464 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.595 -10.241 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.606 -8.365 7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.120 -7.798 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.739 -7.411 6.535 1.00 0.00 H new ATOM 330 N THR A 23 -6.993 -10.519 4.099 1.00 0.00 N ATOM 331 CA THR A 23 -7.761 -11.672 3.646 1.00 0.00 C ATOM 332 C THR A 23 -8.019 -11.600 2.144 1.00 0.00 C ATOM 333 O THR A 23 -8.130 -12.627 1.474 1.00 0.00 O ATOM 334 CB THR A 23 -9.090 -11.754 4.399 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.975 -11.165 5.684 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.587 -13.171 4.586 1.00 0.00 C ATOM 0 H THR A 23 -7.550 -9.788 4.541 1.00 0.00 H new ATOM 0 HA THR A 23 -7.177 -12.569 3.853 1.00 0.00 H new ATOM 0 HB THR A 23 -9.807 -11.215 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.969 -10.189 5.597 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.533 -13.156 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.733 -13.637 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.853 -13.742 5.154 1.00 0.00 H new ATOM 344 N HIS A 24 -8.117 -10.382 1.622 1.00 0.00 N ATOM 345 CA HIS A 24 -8.363 -10.178 0.199 1.00 0.00 C ATOM 346 C HIS A 24 -7.052 -10.088 -0.575 1.00 0.00 C ATOM 347 O HIS A 24 -6.807 -10.872 -1.493 1.00 0.00 O ATOM 348 CB HIS A 24 -9.185 -8.907 -0.021 1.00 0.00 C ATOM 349 CG HIS A 24 -10.605 -9.025 0.440 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.250 -10.224 0.641 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.509 -8.058 0.742 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.498 -9.957 1.048 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.706 -8.657 1.127 1.00 0.00 N ATOM 0 H HIS A 24 -8.030 -9.521 2.163 1.00 0.00 H new ATOM 0 HA HIS A 24 -8.924 -11.036 -0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.708 -8.080 0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.176 -8.657 -1.082 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.329 -6.994 0.692 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.238 -10.709 1.281 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.566 -8.187 1.411 1.00 0.00 H new ATOM 361 N ILE A 25 -6.213 -9.128 -0.199 1.00 0.00 N ATOM 362 CA ILE A 25 -4.927 -8.937 -0.859 1.00 0.00 C ATOM 363 C ILE A 25 -4.048 -10.175 -0.714 1.00 0.00 C ATOM 364 O ILE A 25 -3.647 -10.538 0.392 1.00 0.00 O ATOM 365 CB ILE A 25 -4.178 -7.714 -0.291 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.076 -6.475 -0.330 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.892 -7.466 -1.068 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.412 -5.229 0.218 1.00 0.00 C ATOM 0 H ILE A 25 -6.401 -8.471 0.558 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.134 -8.764 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.916 -7.920 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.382 -6.291 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.982 -6.675 0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.377 -6.599 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.247 -8.341 -0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.130 -7.279 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.106 -4.391 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.130 -5.394 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.521 -5.004 -0.368 1.00 0.00 H new ATOM 380 N ARG A 26 -3.750 -10.817 -1.839 1.00 0.00 N ATOM 381 CA ARG A 26 -2.917 -12.014 -1.838 1.00 0.00 C ATOM 382 C ARG A 26 -1.486 -11.681 -2.251 1.00 0.00 C ATOM 383 O ARG A 26 -0.528 -12.206 -1.685 1.00 0.00 O ATOM 384 CB ARG A 26 -3.500 -13.067 -2.782 1.00 0.00 C ATOM 385 CG ARG A 26 -3.285 -14.496 -2.308 1.00 0.00 C ATOM 386 CD ARG A 26 -4.554 -15.084 -1.712 1.00 0.00 C ATOM 387 NE ARG A 26 -4.722 -16.492 -2.063 1.00 0.00 N ATOM 388 CZ ARG A 26 -5.643 -17.286 -1.521 1.00 0.00 C ATOM 389 NH1 ARG A 26 -6.479 -16.816 -0.604 1.00 0.00 N ATOM 390 NH2 ARG A 26 -5.727 -18.555 -1.897 1.00 0.00 N ATOM 0 H ARG A 26 -4.073 -10.528 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.900 -12.414 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.569 -12.888 -2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.050 -12.948 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.956 -15.112 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.489 -14.517 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.526 -14.982 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.416 -14.517 -2.064 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.097 -16.890 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.418 -15.841 -0.310 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.182 -17.430 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.086 -18.922 -2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.432 -19.164 -1.482 1.00 0.00 H new ATOM 404 N ASN A 27 -1.351 -10.807 -3.242 1.00 0.00 N ATOM 405 CA ASN A 27 -0.038 -10.403 -3.732 1.00 0.00 C ATOM 406 C ASN A 27 0.411 -9.101 -3.076 1.00 0.00 C ATOM 407 O ASN A 27 -0.331 -8.120 -3.047 1.00 0.00 O ATOM 408 CB ASN A 27 -0.066 -10.237 -5.253 1.00 0.00 C ATOM 409 CG ASN A 27 -0.355 -11.541 -5.971 1.00 0.00 C ATOM 410 OD1 ASN A 27 -1.276 -11.624 -6.783 1.00 0.00 O ATOM 411 ND2 ASN A 27 0.433 -12.567 -5.673 1.00 0.00 N ATOM 0 H ASN A 27 -2.135 -10.364 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 27 0.675 -11.185 -3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.824 -9.502 -5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.893 -9.844 -5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.287 -13.470 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.185 -12.452 -4.993 1.00 0.00 H new ATOM 418 N THR A 28 1.631 -9.101 -2.548 1.00 0.00 N ATOM 419 CA THR A 28 2.179 -7.921 -1.891 1.00 0.00 C ATOM 420 C THR A 28 3.257 -7.267 -2.751 1.00 0.00 C ATOM 421 O THR A 28 3.453 -6.053 -2.701 1.00 0.00 O ATOM 422 CB THR A 28 2.758 -8.294 -0.524 1.00 0.00 C ATOM 423 OG1 THR A 28 3.672 -9.369 -0.645 1.00 0.00 O ATOM 424 CG2 THR A 28 1.703 -8.699 0.481 1.00 0.00 C ATOM 0 H THR A 28 2.258 -9.905 -2.563 1.00 0.00 H new ATOM 0 HA THR A 28 1.368 -7.206 -1.752 1.00 0.00 H new ATOM 0 HB THR A 28 3.253 -7.393 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.911 -9.697 0.247 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.180 -8.951 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.009 -7.872 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.158 -9.566 0.107 1.00 0.00 H new ATOM 432 N GLN A 29 3.951 -8.080 -3.539 1.00 0.00 N ATOM 433 CA GLN A 29 5.010 -7.581 -4.411 1.00 0.00 C ATOM 434 C GLN A 29 4.464 -6.549 -5.395 1.00 0.00 C ATOM 435 O GLN A 29 5.176 -5.634 -5.807 1.00 0.00 O ATOM 436 CB GLN A 29 5.660 -8.739 -5.172 1.00 0.00 C ATOM 437 CG GLN A 29 7.001 -9.167 -4.596 1.00 0.00 C ATOM 438 CD GLN A 29 8.134 -8.249 -5.011 1.00 0.00 C ATOM 439 OE1 GLN A 29 7.906 -7.122 -5.453 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.365 -8.729 -4.875 1.00 0.00 N ATOM 0 H GLN A 29 3.800 -9.087 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 29 5.763 -7.098 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.982 -9.593 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.797 -8.447 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.935 -9.188 -3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.224 -10.183 -4.921 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.508 -9.668 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.167 -8.158 -5.141 1.00 0.00 H new ATOM 449 N CYS A 30 3.198 -6.704 -5.766 1.00 0.00 N ATOM 450 CA CYS A 30 2.558 -5.787 -6.701 1.00 0.00 C ATOM 451 C CYS A 30 2.555 -4.363 -6.152 1.00 0.00 C ATOM 452 O CYS A 30 2.798 -3.404 -6.885 1.00 0.00 O ATOM 453 CB CYS A 30 1.124 -6.240 -6.992 1.00 0.00 C ATOM 454 SG CYS A 30 0.913 -7.021 -8.608 1.00 0.00 S ATOM 0 H CYS A 30 2.595 -7.456 -5.433 1.00 0.00 H new ATOM 0 HA CYS A 30 3.129 -5.796 -7.629 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.811 -6.941 -6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.461 -5.377 -6.928 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.329 -7.371 -8.762 1.00 0.00 H new ATOM 460 N LEU A 31 2.277 -4.234 -4.859 1.00 0.00 N ATOM 461 CA LEU A 31 2.241 -2.927 -4.212 1.00 0.00 C ATOM 462 C LEU A 31 3.648 -2.454 -3.863 1.00 0.00 C ATOM 463 O LEU A 31 3.998 -1.295 -4.092 1.00 0.00 O ATOM 464 CB LEU A 31 1.382 -2.987 -2.947 1.00 0.00 C ATOM 465 CG LEU A 31 0.045 -3.713 -3.107 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.314 -4.459 -1.832 1.00 0.00 C ATOM 467 CD2 LEU A 31 -1.054 -2.729 -3.480 1.00 0.00 C ATOM 0 H LEU A 31 2.073 -5.018 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 31 1.801 -2.215 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.954 -3.480 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.187 -1.969 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 31 0.142 -4.441 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.268 -4.969 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.461 -5.192 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.393 -3.752 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.998 -3.263 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.151 -1.978 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.801 -2.241 -4.421 1.00 0.00 H new ATOM 479 N VAL A 32 4.451 -3.356 -3.309 1.00 0.00 N ATOM 480 CA VAL A 32 5.821 -3.030 -2.931 1.00 0.00 C ATOM 481 C VAL A 32 6.656 -2.672 -4.156 1.00 0.00 C ATOM 482 O VAL A 32 7.462 -1.743 -4.120 1.00 0.00 O ATOM 483 CB VAL A 32 6.493 -4.200 -2.188 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.861 -3.788 -1.666 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.607 -4.694 -1.053 1.00 0.00 C ATOM 0 H VAL A 32 4.177 -4.318 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 32 5.770 -2.169 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 32 6.631 -5.020 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.319 -4.628 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.495 -3.490 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.751 -2.950 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.099 -5.521 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.433 -3.882 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.654 -5.034 -1.457 1.00 0.00 H new ATOM 495 N ASP A 33 6.457 -3.417 -5.239 1.00 0.00 N ATOM 496 CA ASP A 33 7.192 -3.178 -6.476 1.00 0.00 C ATOM 497 C ASP A 33 6.865 -1.802 -7.047 1.00 0.00 C ATOM 498 O ASP A 33 7.757 -0.986 -7.277 1.00 0.00 O ATOM 499 CB ASP A 33 6.865 -4.261 -7.505 1.00 0.00 C ATOM 500 CG ASP A 33 7.751 -4.182 -8.731 1.00 0.00 C ATOM 501 OD1 ASP A 33 7.492 -3.318 -9.596 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.704 -4.983 -8.828 1.00 0.00 O ATOM 0 H ASP A 33 5.794 -4.190 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 33 8.257 -3.212 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.976 -5.242 -7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.822 -4.167 -7.808 1.00 0.00 H new ATOM 507 N ASN A 34 5.579 -1.553 -7.273 1.00 0.00 N ATOM 508 CA ASN A 34 5.132 -0.276 -7.818 1.00 0.00 C ATOM 509 C ASN A 34 5.533 0.877 -6.904 1.00 0.00 C ATOM 510 O ASN A 34 6.015 1.912 -7.368 1.00 0.00 O ATOM 511 CB ASN A 34 3.615 -0.283 -8.013 1.00 0.00 C ATOM 512 CG ASN A 34 3.165 -1.330 -9.013 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.954 -1.807 -9.828 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.888 -1.693 -8.955 1.00 0.00 N ATOM 0 H ASN A 34 4.828 -2.218 -7.087 1.00 0.00 H new ATOM 0 HA ASN A 34 5.615 -0.134 -8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.129 -0.467 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.290 0.701 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.527 -2.393 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.269 -1.271 -8.263 1.00 0.00 H new ATOM 521 N LEU A 35 5.329 0.693 -5.605 1.00 0.00 N ATOM 522 CA LEU A 35 5.668 1.719 -4.624 1.00 0.00 C ATOM 523 C LEU A 35 7.156 2.050 -4.672 1.00 0.00 C ATOM 524 O LEU A 35 7.559 3.179 -4.394 1.00 0.00 O ATOM 525 CB LEU A 35 5.281 1.257 -3.218 1.00 0.00 C ATOM 526 CG LEU A 35 3.841 1.570 -2.807 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.354 0.576 -1.765 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.736 2.993 -2.279 1.00 0.00 C ATOM 0 H LEU A 35 4.931 -0.157 -5.206 1.00 0.00 H new ATOM 0 HA LEU A 35 5.107 2.620 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.436 0.180 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.957 1.722 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 35 3.205 1.481 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.328 0.815 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.392 -0.432 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.992 0.631 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.705 3.199 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.385 3.108 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.043 3.693 -3.056 1.00 0.00 H new ATOM 540 N LEU A 36 7.968 1.059 -5.026 1.00 0.00 N ATOM 541 CA LEU A 36 9.411 1.247 -5.108 1.00 0.00 C ATOM 542 C LEU A 36 9.777 2.143 -6.288 1.00 0.00 C ATOM 543 O LEU A 36 10.745 2.900 -6.229 1.00 0.00 O ATOM 544 CB LEU A 36 10.117 -0.105 -5.242 1.00 0.00 C ATOM 545 CG LEU A 36 10.338 -0.851 -3.925 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.802 -2.275 -4.192 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.348 -0.114 -3.059 1.00 0.00 C ATOM 0 H LEU A 36 7.651 0.118 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 36 9.741 1.732 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.532 -0.739 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.084 0.053 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 36 9.390 -0.893 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.955 -2.792 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.046 -2.801 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.739 -2.254 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.493 -0.659 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.298 -0.042 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.978 0.888 -2.841 1.00 0.00 H new ATOM 559 N LYS A 37 8.995 2.050 -7.358 1.00 0.00 N ATOM 560 CA LYS A 37 9.236 2.852 -8.553 1.00 0.00 C ATOM 561 C LYS A 37 9.010 4.334 -8.269 1.00 0.00 C ATOM 562 O LYS A 37 9.758 5.189 -8.743 1.00 0.00 O ATOM 563 CB LYS A 37 8.325 2.396 -9.693 1.00 0.00 C ATOM 564 CG LYS A 37 8.913 2.636 -11.074 1.00 0.00 C ATOM 565 CD LYS A 37 7.865 2.465 -12.164 1.00 0.00 C ATOM 566 CE LYS A 37 7.339 3.807 -12.647 1.00 0.00 C ATOM 567 NZ LYS A 37 7.139 3.827 -14.122 1.00 0.00 N ATOM 0 H LYS A 37 8.189 1.428 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 37 10.275 2.711 -8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.115 1.333 -9.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.372 2.919 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.330 3.642 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.735 1.941 -11.246 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.297 1.919 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.038 1.864 -11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.394 4.027 -12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.039 4.594 -12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.780 4.759 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.045 3.643 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.452 3.093 -14.389 1.00 0.00 H new ATOM 581 N ASN A 38 7.975 4.630 -7.490 1.00 0.00 N ATOM 582 CA ASN A 38 7.650 6.009 -7.141 1.00 0.00 C ATOM 583 C ASN A 38 8.500 6.504 -5.971 1.00 0.00 C ATOM 584 O ASN A 38 8.363 7.647 -5.538 1.00 0.00 O ATOM 585 CB ASN A 38 6.165 6.129 -6.791 1.00 0.00 C ATOM 586 CG ASN A 38 5.286 6.231 -8.022 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.559 7.208 -8.201 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.350 5.219 -8.880 1.00 0.00 N ATOM 0 H ASN A 38 7.347 3.934 -7.088 1.00 0.00 H new ATOM 0 HA ASN A 38 7.870 6.632 -8.008 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.862 5.263 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.012 7.008 -6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.782 5.232 -9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.967 4.429 -8.692 1.00 0.00 H new ATOM 595 N ASP A 39 9.379 5.641 -5.463 1.00 0.00 N ATOM 596 CA ASP A 39 10.245 6.001 -4.346 1.00 0.00 C ATOM 597 C ASP A 39 9.428 6.253 -3.083 1.00 0.00 C ATOM 598 O ASP A 39 9.743 7.145 -2.295 1.00 0.00 O ATOM 599 CB ASP A 39 11.075 7.240 -4.690 1.00 0.00 C ATOM 600 CG ASP A 39 12.528 7.093 -4.285 1.00 0.00 C ATOM 601 OD1 ASP A 39 13.209 6.200 -4.831 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.985 7.872 -3.422 1.00 0.00 O ATOM 0 H ASP A 39 9.509 4.690 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 39 10.919 5.165 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.017 7.427 -5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.648 8.110 -4.191 1.00 0.00 H new ATOM 607 N TYR A 40 8.378 5.460 -2.894 1.00 0.00 N ATOM 608 CA TYR A 40 7.516 5.596 -1.726 1.00 0.00 C ATOM 609 C TYR A 40 7.986 4.685 -0.596 1.00 0.00 C ATOM 610 O TYR A 40 7.876 5.031 0.581 1.00 0.00 O ATOM 611 CB TYR A 40 6.068 5.264 -2.092 1.00 0.00 C ATOM 612 CG TYR A 40 5.303 6.437 -2.663 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.858 7.239 -3.652 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.024 6.741 -2.213 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.162 8.312 -4.176 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.321 7.811 -2.732 1.00 0.00 C ATOM 617 CZ TYR A 40 3.894 8.593 -3.713 1.00 0.00 C ATOM 618 OH TYR A 40 3.197 9.660 -4.232 1.00 0.00 O ATOM 0 H TYR A 40 8.104 4.716 -3.536 1.00 0.00 H new ATOM 0 HA TYR A 40 7.570 6.630 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.063 4.450 -2.817 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.551 4.902 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.850 7.020 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.572 6.131 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.609 8.927 -4.944 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.328 8.034 -2.371 1.00 0.00 H new ATOM 0 HH TYR A 40 2.320 9.720 -3.799 1.00 0.00 H new ATOM 628 N PHE A 41 8.513 3.521 -0.962 1.00 0.00 N ATOM 629 CA PHE A 41 9.001 2.559 0.019 1.00 0.00 C ATOM 630 C PHE A 41 10.525 2.493 0.001 1.00 0.00 C ATOM 631 O PHE A 41 11.133 2.231 -1.036 1.00 0.00 O ATOM 632 CB PHE A 41 8.414 1.173 -0.260 1.00 0.00 C ATOM 633 CG PHE A 41 7.356 0.760 0.723 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.221 1.533 0.907 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.498 -0.404 1.463 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.247 1.154 1.810 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.527 -0.787 2.369 1.00 0.00 C ATOM 638 CZ PHE A 41 5.400 -0.008 2.543 1.00 0.00 C ATOM 0 H PHE A 41 8.613 3.221 -1.932 1.00 0.00 H new ATOM 0 HA PHE A 41 8.681 2.888 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.990 1.163 -1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.218 0.437 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.096 2.442 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.377 -1.018 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.367 1.765 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.650 -1.695 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.640 -0.306 3.250 1.00 0.00 H new ATOM 648 N SER A 42 11.137 2.733 1.158 1.00 0.00 N ATOM 649 CA SER A 42 12.590 2.699 1.273 1.00 0.00 C ATOM 650 C SER A 42 13.098 1.262 1.325 1.00 0.00 C ATOM 651 O SER A 42 12.323 0.325 1.508 1.00 0.00 O ATOM 652 CB SER A 42 13.041 3.457 2.523 1.00 0.00 C ATOM 653 OG SER A 42 12.425 4.732 2.597 1.00 0.00 O ATOM 0 H SER A 42 10.649 2.953 2.027 1.00 0.00 H new ATOM 0 HA SER A 42 13.011 3.182 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.793 2.878 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.125 3.573 2.510 1.00 0.00 H new ATOM 0 HG SER A 42 12.728 5.195 3.405 1.00 0.00 H new ATOM 659 N ALA A 43 14.408 1.097 1.163 1.00 0.00 N ATOM 660 CA ALA A 43 15.020 -0.226 1.191 1.00 0.00 C ATOM 661 C ALA A 43 14.808 -0.902 2.541 1.00 0.00 C ATOM 662 O ALA A 43 14.687 -2.125 2.622 1.00 0.00 O ATOM 663 CB ALA A 43 16.505 -0.125 0.876 1.00 0.00 C ATOM 0 H ALA A 43 15.065 1.863 1.011 1.00 0.00 H new ATOM 0 HA ALA A 43 14.538 -0.839 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.951 -1.120 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.638 0.308 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.992 0.509 1.617 1.00 0.00 H new ATOM 669 N GLU A 44 14.766 -0.099 3.600 1.00 0.00 N ATOM 670 CA GLU A 44 14.568 -0.620 4.947 1.00 0.00 C ATOM 671 C GLU A 44 13.114 -1.020 5.170 1.00 0.00 C ATOM 672 O GLU A 44 12.826 -1.988 5.873 1.00 0.00 O ATOM 673 CB GLU A 44 14.990 0.420 5.986 1.00 0.00 C ATOM 674 CG GLU A 44 16.493 0.509 6.183 1.00 0.00 C ATOM 675 CD GLU A 44 17.210 1.044 4.959 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.786 2.096 4.435 1.00 0.00 O ATOM 677 OE2 GLU A 44 18.196 0.412 4.524 1.00 0.00 O ATOM 0 H GLU A 44 14.867 0.915 3.551 1.00 0.00 H new ATOM 0 HA GLU A 44 15.189 -1.508 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.613 1.397 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.521 0.179 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.707 1.154 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.883 -0.479 6.425 1.00 0.00 H new ATOM 684 N ASP A 45 12.200 -0.268 4.566 1.00 0.00 N ATOM 685 CA ASP A 45 10.774 -0.544 4.698 1.00 0.00 C ATOM 686 C ASP A 45 10.405 -1.845 3.993 1.00 0.00 C ATOM 687 O ASP A 45 9.699 -2.686 4.552 1.00 0.00 O ATOM 688 CB ASP A 45 9.953 0.612 4.124 1.00 0.00 C ATOM 689 CG ASP A 45 9.964 1.833 5.022 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.871 1.664 6.256 1.00 0.00 O ATOM 691 OD2 ASP A 45 10.064 2.959 4.491 1.00 0.00 O ATOM 0 H ASP A 45 12.421 0.537 3.980 1.00 0.00 H new ATOM 0 HA ASP A 45 10.546 -0.649 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.347 0.882 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.924 0.284 3.975 1.00 0.00 H new ATOM 696 N ALA A 46 10.885 -2.005 2.765 1.00 0.00 N ATOM 697 CA ALA A 46 10.606 -3.204 1.985 1.00 0.00 C ATOM 698 C ALA A 46 11.245 -4.435 2.617 1.00 0.00 C ATOM 699 O ALA A 46 10.740 -5.550 2.480 1.00 0.00 O ATOM 700 CB ALA A 46 11.096 -3.028 0.554 1.00 0.00 C ATOM 0 H ALA A 46 11.470 -1.319 2.288 1.00 0.00 H new ATOM 0 HA ALA A 46 9.527 -3.355 1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.881 -3.931 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.587 -2.179 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.171 -2.847 0.557 1.00 0.00 H new ATOM 706 N GLU A 47 12.362 -4.228 3.309 1.00 0.00 N ATOM 707 CA GLU A 47 13.071 -5.323 3.962 1.00 0.00 C ATOM 708 C GLU A 47 12.239 -5.912 5.097 1.00 0.00 C ATOM 709 O GLU A 47 12.235 -7.123 5.312 1.00 0.00 O ATOM 710 CB GLU A 47 14.418 -4.837 4.499 1.00 0.00 C ATOM 711 CG GLU A 47 15.560 -4.991 3.509 1.00 0.00 C ATOM 712 CD GLU A 47 16.866 -4.426 4.032 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.406 -4.985 5.010 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.349 -3.424 3.464 1.00 0.00 O ATOM 0 H GLU A 47 12.795 -3.313 3.432 1.00 0.00 H new ATOM 0 HA GLU A 47 13.243 -6.104 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.330 -3.787 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.658 -5.390 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.693 -6.047 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.298 -4.489 2.578 1.00 0.00 H new ATOM 721 N ILE A 48 11.538 -5.046 5.820 1.00 0.00 N ATOM 722 CA ILE A 48 10.703 -5.480 6.933 1.00 0.00 C ATOM 723 C ILE A 48 9.525 -6.317 6.442 1.00 0.00 C ATOM 724 O ILE A 48 9.188 -7.341 7.035 1.00 0.00 O ATOM 725 CB ILE A 48 10.167 -4.278 7.737 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.315 -3.347 8.133 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.417 -4.757 8.971 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.921 -1.887 8.176 1.00 0.00 C ATOM 0 H ILE A 48 11.532 -4.039 5.655 1.00 0.00 H new ATOM 0 HA ILE A 48 11.332 -6.089 7.582 1.00 0.00 H new ATOM 0 HB ILE A 48 9.473 -3.721 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.691 -3.643 9.113 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.135 -3.473 7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.045 -3.897 9.528 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.578 -5.383 8.667 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.090 -5.335 9.604 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.783 -1.286 8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.573 -1.575 7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.122 -1.747 8.904 1.00 0.00 H new ATOM 740 N VAL A 49 8.906 -5.874 5.353 1.00 0.00 N ATOM 741 CA VAL A 49 7.768 -6.582 4.779 1.00 0.00 C ATOM 742 C VAL A 49 8.181 -7.954 4.257 1.00 0.00 C ATOM 743 O VAL A 49 7.610 -8.974 4.642 1.00 0.00 O ATOM 744 CB VAL A 49 7.127 -5.780 3.630 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.838 -6.441 3.170 1.00 0.00 C ATOM 746 CG2 VAL A 49 6.874 -4.342 4.059 1.00 0.00 C ATOM 0 H VAL A 49 9.173 -5.028 4.850 1.00 0.00 H new ATOM 0 HA VAL A 49 7.037 -6.704 5.578 1.00 0.00 H new ATOM 0 HB VAL A 49 7.821 -5.768 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.401 -5.860 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.052 -7.451 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.136 -6.487 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.421 -3.791 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.201 -4.331 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.819 -3.873 4.334 1.00 0.00 H new ATOM 756 N CYS A 50 9.178 -7.969 3.379 1.00 0.00 N ATOM 757 CA CYS A 50 9.671 -9.216 2.802 1.00 0.00 C ATOM 758 C CYS A 50 10.172 -10.159 3.892 1.00 0.00 C ATOM 759 O CYS A 50 10.110 -11.380 3.747 1.00 0.00 O ATOM 760 CB CYS A 50 10.793 -8.930 1.803 1.00 0.00 C ATOM 761 SG CYS A 50 10.755 -9.979 0.330 1.00 0.00 S ATOM 0 H CYS A 50 9.661 -7.133 3.051 1.00 0.00 H new ATOM 0 HA CYS A 50 8.844 -9.699 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.733 -7.886 1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.753 -9.060 2.304 1.00 0.00 H new ATOM 0 HG CYS A 50 11.741 -9.660 -0.455 1.00 0.00 H new ATOM 767 N ALA A 51 10.670 -9.585 4.982 1.00 0.00 N ATOM 768 CA ALA A 51 11.183 -10.373 6.097 1.00 0.00 C ATOM 769 C ALA A 51 10.112 -11.302 6.659 1.00 0.00 C ATOM 770 O ALA A 51 10.425 -12.316 7.283 1.00 0.00 O ATOM 771 CB ALA A 51 11.716 -9.456 7.189 1.00 0.00 C ATOM 0 H ALA A 51 10.729 -8.576 5.117 1.00 0.00 H new ATOM 0 HA ALA A 51 11.999 -10.992 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.096 -10.057 8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.521 -8.841 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.913 -8.812 7.548 1.00 0.00 H new ATOM 777 N CYS A 52 8.848 -10.951 6.437 1.00 0.00 N ATOM 778 CA CYS A 52 7.734 -11.757 6.925 1.00 0.00 C ATOM 779 C CYS A 52 7.846 -13.201 6.437 1.00 0.00 C ATOM 780 O CYS A 52 8.292 -13.452 5.318 1.00 0.00 O ATOM 781 CB CYS A 52 6.403 -11.154 6.469 1.00 0.00 C ATOM 782 SG CYS A 52 5.920 -9.664 7.371 1.00 0.00 S ATOM 0 H CYS A 52 8.570 -10.115 5.923 1.00 0.00 H new ATOM 0 HA CYS A 52 7.771 -11.759 8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.468 -10.918 5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.620 -11.904 6.581 1.00 0.00 H new ATOM 0 HG CYS A 52 6.353 -8.614 6.738 1.00 0.00 H new ATOM 788 N PRO A 53 7.440 -14.172 7.274 1.00 0.00 N ATOM 789 CA PRO A 53 7.500 -15.592 6.921 1.00 0.00 C ATOM 790 C PRO A 53 6.396 -15.996 5.949 1.00 0.00 C ATOM 791 O PRO A 53 6.636 -16.732 4.992 1.00 0.00 O ATOM 792 CB PRO A 53 7.312 -16.292 8.265 1.00 0.00 C ATOM 793 CG PRO A 53 6.489 -15.346 9.068 1.00 0.00 C ATOM 794 CD PRO A 53 6.895 -13.963 8.630 1.00 0.00 C ATOM 0 HA PRO A 53 8.430 -15.850 6.414 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.810 -17.252 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.270 -16.491 8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.426 -15.512 8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.666 -15.484 10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.045 -13.281 8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.640 -13.533 9.299 1.00 0.00 H new ATOM 802 N THR A 54 5.184 -15.513 6.203 1.00 0.00 N ATOM 803 CA THR A 54 4.042 -15.825 5.352 1.00 0.00 C ATOM 804 C THR A 54 3.607 -14.603 4.550 1.00 0.00 C ATOM 805 O THR A 54 4.114 -13.500 4.756 1.00 0.00 O ATOM 806 CB THR A 54 2.874 -16.336 6.197 1.00 0.00 C ATOM 807 OG1 THR A 54 2.426 -15.334 7.093 1.00 0.00 O ATOM 808 CG2 THR A 54 3.218 -17.563 7.015 1.00 0.00 C ATOM 0 H THR A 54 4.968 -14.904 6.992 1.00 0.00 H new ATOM 0 HA THR A 54 4.346 -16.605 4.654 1.00 0.00 H new ATOM 0 HB THR A 54 2.096 -16.602 5.482 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.678 -15.680 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.346 -17.873 7.591 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.519 -18.372 6.349 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.037 -17.329 7.695 1.00 0.00 H new ATOM 816 N GLN A 55 2.663 -14.807 3.636 1.00 0.00 N ATOM 817 CA GLN A 55 2.157 -13.722 2.803 1.00 0.00 C ATOM 818 C GLN A 55 1.266 -12.782 3.613 1.00 0.00 C ATOM 819 O GLN A 55 1.480 -11.570 3.626 1.00 0.00 O ATOM 820 CB GLN A 55 1.380 -14.286 1.610 1.00 0.00 C ATOM 821 CG GLN A 55 1.793 -13.688 0.276 1.00 0.00 C ATOM 822 CD GLN A 55 2.862 -14.505 -0.424 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.568 -15.288 -1.328 1.00 0.00 O ATOM 824 NE2 GLN A 55 4.110 -14.328 -0.009 1.00 0.00 N ATOM 0 H GLN A 55 2.233 -15.714 3.454 1.00 0.00 H new ATOM 0 HA GLN A 55 3.010 -13.152 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.521 -15.366 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.316 -14.109 1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.918 -13.612 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.161 -12.675 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.309 -13.669 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.871 -14.851 -0.443 1.00 0.00 H new ATOM 833 N PRO A 56 0.250 -13.331 4.304 1.00 0.00 N ATOM 834 CA PRO A 56 -0.671 -12.533 5.120 1.00 0.00 C ATOM 835 C PRO A 56 0.063 -11.605 6.082 1.00 0.00 C ATOM 836 O PRO A 56 -0.444 -10.545 6.446 1.00 0.00 O ATOM 837 CB PRO A 56 -1.464 -13.587 5.895 1.00 0.00 C ATOM 838 CG PRO A 56 -1.412 -14.805 5.038 1.00 0.00 C ATOM 839 CD PRO A 56 -0.077 -14.770 4.347 1.00 0.00 C ATOM 0 HA PRO A 56 -1.292 -11.877 4.510 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.024 -13.773 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.492 -13.265 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.517 -15.709 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.226 -14.807 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.675 -15.336 4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.131 -15.200 3.347 1.00 0.00 H new ATOM 847 N ASP A 57 1.261 -12.012 6.488 1.00 0.00 N ATOM 848 CA ASP A 57 2.068 -11.219 7.407 1.00 0.00 C ATOM 849 C ASP A 57 2.671 -10.011 6.697 1.00 0.00 C ATOM 850 O ASP A 57 2.855 -8.952 7.298 1.00 0.00 O ATOM 851 CB ASP A 57 3.179 -12.080 8.012 1.00 0.00 C ATOM 852 CG ASP A 57 2.857 -12.528 9.425 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.658 -12.632 9.757 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.807 -12.776 10.199 1.00 0.00 O ATOM 0 H ASP A 57 1.695 -12.887 6.195 1.00 0.00 H new ATOM 0 HA ASP A 57 1.420 -10.860 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.339 -12.956 7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.111 -11.515 8.016 1.00 0.00 H new ATOM 859 N LYS A 58 2.977 -10.177 5.413 1.00 0.00 N ATOM 860 CA LYS A 58 3.559 -9.100 4.620 1.00 0.00 C ATOM 861 C LYS A 58 2.557 -7.968 4.423 1.00 0.00 C ATOM 862 O LYS A 58 2.913 -6.791 4.497 1.00 0.00 O ATOM 863 CB LYS A 58 4.018 -9.631 3.261 1.00 0.00 C ATOM 864 CG LYS A 58 5.071 -10.720 3.359 1.00 0.00 C ATOM 865 CD LYS A 58 5.163 -11.523 2.071 1.00 0.00 C ATOM 866 CE LYS A 58 6.264 -10.997 1.166 1.00 0.00 C ATOM 867 NZ LYS A 58 6.489 -11.884 -0.009 1.00 0.00 N ATOM 0 H LYS A 58 2.831 -11.047 4.900 1.00 0.00 H new ATOM 0 HA LYS A 58 4.421 -8.709 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.154 -10.020 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.416 -8.804 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.040 -10.272 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.831 -11.386 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.353 -12.570 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.208 -11.482 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.003 -9.997 0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.189 -10.907 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.248 -11.490 -0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.763 -12.832 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.614 -11.950 -0.567 1.00 0.00 H new ATOM 881 N VAL A 59 1.303 -8.330 4.172 1.00 0.00 N ATOM 882 CA VAL A 59 0.251 -7.343 3.965 1.00 0.00 C ATOM 883 C VAL A 59 0.049 -6.488 5.211 1.00 0.00 C ATOM 884 O VAL A 59 -0.112 -5.270 5.122 1.00 0.00 O ATOM 885 CB VAL A 59 -1.086 -8.015 3.596 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.130 -6.968 3.234 1.00 0.00 C ATOM 887 CG2 VAL A 59 -0.893 -9.001 2.452 1.00 0.00 C ATOM 0 H VAL A 59 0.991 -9.299 4.107 1.00 0.00 H new ATOM 0 HA VAL A 59 0.570 -6.709 3.138 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.444 -8.567 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.067 -7.462 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.291 -6.305 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.781 -6.386 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.848 -9.465 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.510 -8.474 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.182 -9.771 2.751 1.00 0.00 H new ATOM 897 N ARG A 60 0.061 -7.131 6.374 1.00 0.00 N ATOM 898 CA ARG A 60 -0.119 -6.430 7.640 1.00 0.00 C ATOM 899 C ARG A 60 1.053 -5.494 7.918 1.00 0.00 C ATOM 900 O ARG A 60 0.893 -4.458 8.564 1.00 0.00 O ATOM 901 CB ARG A 60 -0.271 -7.433 8.785 1.00 0.00 C ATOM 902 CG ARG A 60 -0.863 -6.828 10.047 1.00 0.00 C ATOM 903 CD ARG A 60 -0.321 -7.504 11.296 1.00 0.00 C ATOM 904 NE ARG A 60 -0.329 -6.609 12.451 1.00 0.00 N ATOM 905 CZ ARG A 60 0.523 -5.599 12.612 1.00 0.00 C ATOM 906 NH1 ARG A 60 1.453 -5.354 11.698 1.00 0.00 N ATOM 907 NH2 ARG A 60 0.445 -4.833 13.691 1.00 0.00 N ATOM 0 H ARG A 60 0.194 -8.138 6.466 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.027 -5.831 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.905 -8.256 8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.706 -7.857 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.637 -5.762 10.082 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.949 -6.923 10.023 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.919 -8.388 11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.697 -7.846 11.110 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.028 -6.767 13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.518 -5.941 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.103 -4.579 11.827 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.267 -5.018 14.397 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.097 -4.059 13.815 1.00 0.00 H new ATOM 921 N LYS A 61 2.231 -5.866 7.427 1.00 0.00 N ATOM 922 CA LYS A 61 3.430 -5.058 7.624 1.00 0.00 C ATOM 923 C LYS A 61 3.393 -3.805 6.754 1.00 0.00 C ATOM 924 O LYS A 61 3.723 -2.711 7.211 1.00 0.00 O ATOM 925 CB LYS A 61 4.681 -5.879 7.304 1.00 0.00 C ATOM 926 CG LYS A 61 5.980 -5.168 7.643 1.00 0.00 C ATOM 927 CD LYS A 61 6.078 -4.864 9.129 1.00 0.00 C ATOM 928 CE LYS A 61 6.094 -6.136 9.962 1.00 0.00 C ATOM 929 NZ LYS A 61 4.876 -6.259 10.809 1.00 0.00 N ATOM 0 H LYS A 61 2.381 -6.720 6.891 1.00 0.00 H new ATOM 0 HA LYS A 61 3.462 -4.750 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.638 -6.820 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.680 -6.129 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.824 -5.787 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.047 -4.240 7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.983 -4.289 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.235 -4.242 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.167 -7.001 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.980 -6.143 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.925 -7.139 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.820 -5.447 11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.032 -6.278 10.202 1.00 0.00 H new ATOM 943 N ILE A 62 2.989 -3.972 5.499 1.00 0.00 N ATOM 944 CA ILE A 62 2.908 -2.853 4.567 1.00 0.00 C ATOM 945 C ILE A 62 1.904 -1.811 5.049 1.00 0.00 C ATOM 946 O ILE A 62 2.174 -0.611 5.010 1.00 0.00 O ATOM 947 CB ILE A 62 2.508 -3.326 3.154 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.436 -4.447 2.685 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.543 -2.162 2.174 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.755 -5.463 1.793 1.00 0.00 C ATOM 0 H ILE A 62 2.713 -4.871 5.104 1.00 0.00 H new ATOM 0 HA ILE A 62 3.900 -2.404 4.522 1.00 0.00 H new ATOM 0 HB ILE A 62 1.490 -3.713 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.277 -4.010 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.845 -4.957 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.258 -2.513 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.845 -1.391 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.551 -1.748 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.473 -6.228 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.931 -5.928 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.370 -4.966 0.903 1.00 0.00 H new ATOM 962 N LEU A 63 0.747 -2.279 5.506 1.00 0.00 N ATOM 963 CA LEU A 63 -0.295 -1.387 5.998 1.00 0.00 C ATOM 964 C LEU A 63 0.189 -0.600 7.212 1.00 0.00 C ATOM 965 O LEU A 63 -0.097 0.589 7.349 1.00 0.00 O ATOM 966 CB LEU A 63 -1.549 -2.185 6.362 1.00 0.00 C ATOM 967 CG LEU A 63 -2.161 -2.986 5.211 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.094 -4.062 5.746 1.00 0.00 C ATOM 969 CD2 LEU A 63 -2.902 -2.061 4.256 1.00 0.00 C ATOM 0 H LEU A 63 0.508 -3.270 5.546 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.538 -0.682 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.302 -2.871 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.301 -1.496 6.746 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.355 -3.474 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.520 -4.621 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.535 -4.740 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.896 -3.596 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.332 -2.646 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.699 -1.546 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.207 -1.327 3.847 1.00 0.00 H new ATOM 981 N ASP A 64 0.926 -1.273 8.090 1.00 0.00 N ATOM 982 CA ASP A 64 1.452 -0.638 9.293 1.00 0.00 C ATOM 983 C ASP A 64 2.495 0.418 8.941 1.00 0.00 C ATOM 984 O ASP A 64 2.582 1.461 9.589 1.00 0.00 O ATOM 985 CB ASP A 64 2.067 -1.688 10.222 1.00 0.00 C ATOM 986 CG ASP A 64 1.931 -1.317 11.685 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.442 -0.247 12.076 1.00 0.00 O ATOM 988 OD2 ASP A 64 1.314 -2.097 12.440 1.00 0.00 O ATOM 0 H ASP A 64 1.172 -2.258 7.991 1.00 0.00 H new ATOM 0 HA ASP A 64 0.624 -0.148 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.585 -2.650 10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.122 -1.811 9.978 1.00 0.00 H new ATOM 993 N LEU A 65 3.285 0.141 7.908 1.00 0.00 N ATOM 994 CA LEU A 65 4.322 1.066 7.468 1.00 0.00 C ATOM 995 C LEU A 65 3.707 2.315 6.844 1.00 0.00 C ATOM 996 O LEU A 65 4.108 3.437 7.152 1.00 0.00 O ATOM 997 CB LEU A 65 5.251 0.384 6.462 1.00 0.00 C ATOM 998 CG LEU A 65 6.252 -0.599 7.070 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.874 -1.467 5.987 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.329 0.147 7.843 1.00 0.00 C ATOM 0 H LEU A 65 3.226 -0.717 7.360 1.00 0.00 H new ATOM 0 HA LEU A 65 4.901 1.365 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.642 -0.147 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.803 1.153 5.921 1.00 0.00 H new ATOM 0 HG LEU A 65 5.718 -1.248 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.584 -2.160 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.092 -2.030 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.393 -0.834 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.033 -0.568 8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.859 0.821 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.868 0.724 8.645 1.00 0.00 H new ATOM 1012 N VAL A 66 2.730 2.112 5.966 1.00 0.00 N ATOM 1013 CA VAL A 66 2.059 3.221 5.300 1.00 0.00 C ATOM 1014 C VAL A 66 1.378 4.136 6.311 1.00 0.00 C ATOM 1015 O VAL A 66 1.343 5.355 6.136 1.00 0.00 O ATOM 1016 CB VAL A 66 1.010 2.718 4.289 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.423 3.880 3.501 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.620 1.684 3.353 1.00 0.00 C ATOM 0 H VAL A 66 2.386 1.190 5.700 1.00 0.00 H new ATOM 0 HA VAL A 66 2.826 3.781 4.766 1.00 0.00 H new ATOM 0 HB VAL A 66 0.202 2.241 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.315 3.503 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.055 4.580 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.219 4.390 2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.864 1.341 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.450 2.132 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.984 0.837 3.934 1.00 0.00 H new ATOM 1028 N GLN A 67 0.838 3.542 7.370 1.00 0.00 N ATOM 1029 CA GLN A 67 0.159 4.304 8.410 1.00 0.00 C ATOM 1030 C GLN A 67 1.136 5.221 9.138 1.00 0.00 C ATOM 1031 O GLN A 67 0.771 6.313 9.576 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.513 3.359 9.409 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.786 2.720 8.879 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.069 1.371 9.513 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.372 0.949 10.436 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.095 0.690 9.019 1.00 0.00 N ATOM 0 H GLN A 67 0.858 2.535 7.530 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.604 4.920 7.934 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.191 2.573 9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.745 3.911 10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.627 3.388 9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.705 2.600 7.799 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.645 1.080 8.253 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.334 -0.223 9.405 1.00 0.00 H new ATOM 1045 N SER A 68 2.380 4.771 9.263 1.00 0.00 N ATOM 1046 CA SER A 68 3.411 5.551 9.937 1.00 0.00 C ATOM 1047 C SER A 68 3.954 6.642 9.020 1.00 0.00 C ATOM 1048 O SER A 68 4.343 7.716 9.478 1.00 0.00 O ATOM 1049 CB SER A 68 4.551 4.640 10.395 1.00 0.00 C ATOM 1050 OG SER A 68 4.130 3.776 11.437 1.00 0.00 O ATOM 0 H SER A 68 2.699 3.870 8.906 1.00 0.00 H new ATOM 0 HA SER A 68 2.961 6.025 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.909 4.049 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.389 5.246 10.738 1.00 0.00 H new ATOM 0 HG SER A 68 3.627 3.026 11.057 1.00 0.00 H new ATOM 1056 N LYS A 69 3.976 6.359 7.721 1.00 0.00 N ATOM 1057 CA LYS A 69 4.470 7.317 6.739 1.00 0.00 C ATOM 1058 C LYS A 69 3.647 8.601 6.770 1.00 0.00 C ATOM 1059 O LYS A 69 4.129 9.647 7.204 1.00 0.00 O ATOM 1060 CB LYS A 69 4.431 6.706 5.337 1.00 0.00 C ATOM 1061 CG LYS A 69 5.468 5.616 5.121 1.00 0.00 C ATOM 1062 CD LYS A 69 5.417 5.072 3.703 1.00 0.00 C ATOM 1063 CE LYS A 69 6.040 3.689 3.614 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.426 3.667 4.161 1.00 0.00 N ATOM 0 H LYS A 69 3.658 5.475 7.325 1.00 0.00 H new ATOM 0 HA LYS A 69 5.501 7.562 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.439 6.293 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.586 7.495 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.463 6.013 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.298 4.805 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.381 5.028 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.942 5.752 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.422 2.977 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.055 3.364 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.997 2.978 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.850 4.612 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.399 3.395 5.165 1.00 0.00 H new ATOM 1078 N GLY A 70 2.405 8.514 6.307 1.00 0.00 N ATOM 1079 CA GLY A 70 1.536 9.676 6.291 1.00 0.00 C ATOM 1080 C GLY A 70 0.375 9.522 5.330 1.00 0.00 C ATOM 1081 O GLY A 70 0.220 8.479 4.695 1.00 0.00 O ATOM 0 H GLY A 70 1.984 7.659 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.151 9.851 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.117 10.556 6.015 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.444 10.564 5.223 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.599 10.540 4.332 1.00 0.00 C ATOM 1087 C GLU A 71 -1.160 10.523 2.871 1.00 0.00 C ATOM 1088 O GLU A 71 -1.862 9.993 2.009 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.494 11.753 4.593 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.276 11.662 5.894 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.486 12.575 5.912 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.306 13.796 6.100 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.614 12.067 5.738 1.00 0.00 O ATOM 0 H GLU A 71 -0.329 11.435 5.742 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.163 9.629 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.878 12.652 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.194 11.863 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.600 10.633 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.620 11.917 6.726 1.00 0.00 H new ATOM 1100 N GLU A 72 0.004 11.106 2.598 1.00 0.00 N ATOM 1101 CA GLU A 72 0.534 11.158 1.240 1.00 0.00 C ATOM 1102 C GLU A 72 0.709 9.754 0.670 1.00 0.00 C ATOM 1103 O GLU A 72 0.306 9.476 -0.459 1.00 0.00 O ATOM 1104 CB GLU A 72 1.872 11.901 1.221 1.00 0.00 C ATOM 1105 CG GLU A 72 2.044 12.811 0.016 1.00 0.00 C ATOM 1106 CD GLU A 72 1.892 14.278 0.367 1.00 0.00 C ATOM 1107 OE1 GLU A 72 2.288 14.664 1.487 1.00 0.00 O ATOM 1108 OE2 GLU A 72 1.379 15.040 -0.478 1.00 0.00 O ATOM 0 H GLU A 72 0.598 11.549 3.299 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.181 11.696 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.961 12.495 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.683 11.173 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.029 12.646 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.309 12.545 -0.744 1.00 0.00 H new ATOM 1115 N VAL A 73 1.314 8.871 1.460 1.00 0.00 N ATOM 1116 CA VAL A 73 1.543 7.495 1.033 1.00 0.00 C ATOM 1117 C VAL A 73 0.272 6.663 1.154 1.00 0.00 C ATOM 1118 O VAL A 73 0.059 5.722 0.390 1.00 0.00 O ATOM 1119 CB VAL A 73 2.658 6.828 1.860 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.033 5.481 1.263 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.874 7.737 1.949 1.00 0.00 C ATOM 0 H VAL A 73 1.654 9.084 2.398 1.00 0.00 H new ATOM 0 HA VAL A 73 1.850 7.536 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 73 2.284 6.660 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.822 5.025 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.159 4.829 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.387 5.622 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.651 7.249 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.251 7.940 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.593 8.675 2.427 1.00 0.00 H new ATOM 1131 N SER A 74 -0.572 7.017 2.118 1.00 0.00 N ATOM 1132 CA SER A 74 -1.824 6.302 2.338 1.00 0.00 C ATOM 1133 C SER A 74 -2.729 6.402 1.115 1.00 0.00 C ATOM 1134 O SER A 74 -3.473 5.472 0.804 1.00 0.00 O ATOM 1135 CB SER A 74 -2.544 6.856 3.568 1.00 0.00 C ATOM 1136 OG SER A 74 -3.568 5.978 4.000 1.00 0.00 O ATOM 0 H SER A 74 -0.412 7.794 2.759 1.00 0.00 H new ATOM 0 HA SER A 74 -1.588 5.251 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.827 7.008 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.972 7.831 3.334 1.00 0.00 H new ATOM 0 HG SER A 74 -4.363 6.103 3.441 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.662 7.535 0.425 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.476 7.756 -0.764 1.00 0.00 C ATOM 1144 C GLU A 75 -2.953 6.939 -1.941 1.00 0.00 C ATOM 1145 O GLU A 75 -3.720 6.278 -2.641 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.494 9.242 -1.129 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.629 9.623 -2.065 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.171 11.012 -1.788 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -5.256 11.390 -0.600 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.512 11.721 -2.758 1.00 0.00 O ATOM 0 H GLU A 75 -2.052 8.315 0.669 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.493 7.432 -0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.574 9.831 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.545 9.505 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.278 9.573 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.435 8.896 -1.967 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.642 6.989 -2.153 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.016 6.254 -3.246 1.00 0.00 C ATOM 1159 C PHE A 76 -1.237 4.752 -3.089 1.00 0.00 C ATOM 1160 O PHE A 76 -1.479 4.045 -4.067 1.00 0.00 O ATOM 1161 CB PHE A 76 0.482 6.558 -3.302 1.00 0.00 C ATOM 1162 CG PHE A 76 1.177 5.932 -4.478 1.00 0.00 C ATOM 1163 CD1 PHE A 76 1.158 6.549 -5.719 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.849 4.727 -4.341 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.797 5.975 -6.801 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.489 4.150 -5.421 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.463 4.774 -6.653 1.00 0.00 C ATOM 0 H PHE A 76 -0.993 7.531 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.479 6.576 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.624 7.638 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.951 6.206 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.638 7.488 -5.841 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.872 4.234 -3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.776 6.466 -7.763 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.010 3.211 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.962 4.324 -7.498 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.152 4.273 -1.852 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.343 2.856 -1.567 1.00 0.00 C ATOM 1179 C PHE A 77 -2.764 2.418 -1.907 1.00 0.00 C ATOM 1180 O PHE A 77 -2.981 1.321 -2.422 1.00 0.00 O ATOM 1181 CB PHE A 77 -1.047 2.567 -0.095 1.00 0.00 C ATOM 1182 CG PHE A 77 -1.034 1.102 0.241 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.075 0.322 -0.047 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -2.130 0.506 0.843 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.091 -1.024 0.262 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -2.121 -0.841 1.153 1.00 0.00 C ATOM 1187 CZ PHE A 77 -1.008 -1.607 0.862 1.00 0.00 C ATOM 0 H PHE A 77 -0.952 4.845 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.650 2.290 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.080 2.999 0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.795 3.066 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.936 0.772 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.002 1.101 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.962 -1.620 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.982 -1.294 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.998 -2.660 1.103 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.730 3.284 -1.616 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.132 2.987 -1.890 1.00 0.00 C ATOM 1199 C LEU A 78 -5.439 3.131 -3.378 1.00 0.00 C ATOM 1200 O LEU A 78 -6.317 2.451 -3.909 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.038 3.914 -1.077 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.494 3.353 0.273 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.378 4.411 1.361 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.923 2.837 0.180 1.00 0.00 C ATOM 0 H LEU A 78 -3.568 4.197 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.323 1.955 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.511 4.852 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.920 4.149 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.842 2.520 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.707 3.992 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.340 4.733 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.004 5.266 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.231 2.442 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.587 3.653 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.976 2.046 -0.568 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.712 4.022 -4.046 1.00 0.00 N ATOM 1217 CA TYR A 79 -4.909 4.256 -5.471 1.00 0.00 C ATOM 1218 C TYR A 79 -4.584 3.006 -6.282 1.00 0.00 C ATOM 1219 O TYR A 79 -5.323 2.634 -7.192 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.037 5.422 -5.942 1.00 0.00 C ATOM 1221 CG TYR A 79 -4.647 6.218 -7.073 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -4.787 5.666 -8.341 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.086 7.522 -6.874 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.344 6.390 -9.377 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.645 8.252 -7.904 1.00 0.00 C ATOM 1226 CZ TYR A 79 -5.772 7.683 -9.154 1.00 0.00 C ATOM 1227 OH TYR A 79 -6.327 8.407 -10.182 1.00 0.00 O ATOM 0 H TYR A 79 -3.981 4.593 -3.622 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.958 4.505 -5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.851 6.088 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.070 5.035 -6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.455 4.654 -8.519 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.988 7.972 -5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.444 5.947 -10.357 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.981 9.264 -7.732 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.576 9.298 -9.858 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.471 2.360 -5.946 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.048 1.152 -6.645 1.00 0.00 C ATOM 1239 C LEU A 80 -4.102 0.056 -6.527 1.00 0.00 C ATOM 1240 O LEU A 80 -4.282 -0.746 -7.442 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.714 0.655 -6.085 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.548 1.635 -6.226 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.483 1.397 -5.134 1.00 0.00 C ATOM 1244 CD2 LEU A 80 0.090 1.509 -7.602 1.00 0.00 C ATOM 0 H LEU A 80 -2.847 2.653 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.923 1.398 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.846 0.420 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.450 -0.275 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.934 2.649 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.305 2.103 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.018 1.538 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.865 0.379 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.918 2.213 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.462 0.494 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.653 1.730 -8.369 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.794 0.027 -5.393 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.830 -0.973 -5.154 1.00 0.00 C ATOM 1258 C LEU A 81 -6.921 -0.897 -6.219 1.00 0.00 C ATOM 1259 O LEU A 81 -7.564 -1.897 -6.534 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.444 -0.779 -3.766 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.524 -1.132 -2.597 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -6.115 -0.639 -1.285 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.283 -2.633 -2.544 1.00 0.00 C ATOM 0 H LEU A 81 -4.657 0.684 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.366 -1.958 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.753 0.261 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.346 -1.388 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.566 -0.635 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.447 -0.899 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.237 0.443 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.086 -1.108 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.626 -2.867 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.234 -3.150 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.816 -2.960 -3.473 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.124 0.297 -6.767 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.139 0.502 -7.794 1.00 0.00 C ATOM 1277 C GLN A 82 -7.627 0.065 -9.164 1.00 0.00 C ATOM 1278 O GLN A 82 -8.233 -0.780 -9.824 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.560 1.974 -7.836 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.033 2.193 -7.530 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.699 3.136 -8.513 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -11.216 2.711 -9.546 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -10.690 4.425 -8.195 1.00 0.00 N ATOM 0 H GLN A 82 -6.600 1.136 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.005 -0.110 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.961 2.536 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.338 2.379 -8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.550 1.234 -7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.135 2.594 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.250 4.733 -7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.123 5.107 -8.818 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.508 0.647 -9.586 1.00 0.00 N ATOM 1293 CA GLN A 83 -5.916 0.319 -10.879 1.00 0.00 C ATOM 1294 C GLN A 83 -5.589 -1.168 -10.971 1.00 0.00 C ATOM 1295 O GLN A 83 -5.625 -1.755 -12.052 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.650 1.146 -11.106 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.924 2.618 -11.370 1.00 0.00 C ATOM 1298 CD GLN A 83 -3.718 3.341 -11.938 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.326 3.113 -13.082 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.125 4.220 -11.138 1.00 0.00 N ATOM 0 H GLN A 83 -5.994 1.347 -9.052 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.644 0.558 -11.654 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.006 1.056 -10.231 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.101 0.730 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.759 2.710 -12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.228 3.100 -10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.485 4.377 -10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.310 4.738 -11.465 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.270 -1.772 -9.831 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.935 -3.192 -9.786 1.00 0.00 C ATOM 1311 C LEU A 84 -6.147 -4.036 -9.396 1.00 0.00 C ATOM 1312 O LEU A 84 -6.123 -5.261 -9.516 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.792 -3.436 -8.799 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.418 -2.955 -9.267 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.375 -3.186 -8.186 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.019 -3.659 -10.555 1.00 0.00 C ATOM 0 H LEU A 84 -5.236 -1.302 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.618 -3.492 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.033 -2.940 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.734 -4.504 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.476 -1.884 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.404 -2.838 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.655 -2.636 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.318 -4.250 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.039 -3.305 -10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.979 -4.735 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.753 -3.442 -11.331 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.208 -3.378 -8.927 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.424 -4.074 -8.519 1.00 0.00 C ATOM 1330 C ALA A 85 -8.897 -5.053 -9.593 1.00 0.00 C ATOM 1331 O ALA A 85 -9.554 -6.049 -9.292 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.521 -3.069 -8.198 1.00 0.00 C ATOM 0 H ALA A 85 -7.248 -2.364 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.195 -4.651 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.423 -3.600 -7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.193 -2.419 -7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.734 -2.468 -9.082 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.559 -4.762 -10.845 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.952 -5.618 -11.959 1.00 0.00 C ATOM 1340 C ASP A 86 -8.242 -6.967 -11.888 1.00 0.00 C ATOM 1341 O ASP A 86 -8.766 -7.979 -12.353 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.640 -4.933 -13.291 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.703 -5.194 -14.339 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -10.677 -4.416 -14.404 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.562 -6.179 -15.094 1.00 0.00 O ATOM 0 H ASP A 86 -8.015 -3.942 -11.113 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.026 -5.790 -11.890 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.548 -3.859 -13.131 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.676 -5.284 -13.660 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.047 -6.973 -11.306 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.267 -8.199 -11.177 1.00 0.00 C ATOM 1352 C ALA A 87 -6.806 -9.078 -10.053 1.00 0.00 C ATOM 1353 O ALA A 87 -6.835 -10.303 -10.169 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.802 -7.869 -10.935 1.00 0.00 C ATOM 0 H ALA A 87 -6.598 -6.144 -10.917 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.354 -8.755 -12.110 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.232 -8.793 -10.841 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.416 -7.289 -11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.707 -7.288 -10.017 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.231 -8.444 -8.964 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.767 -9.170 -7.819 1.00 0.00 C ATOM 1362 C TYR A 88 -9.256 -9.446 -7.998 1.00 0.00 C ATOM 1363 O TYR A 88 -9.710 -10.582 -7.851 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.539 -8.375 -6.532 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.083 -8.088 -6.246 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.403 -7.095 -6.939 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.388 -8.808 -5.282 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -4.073 -6.828 -6.681 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.058 -8.547 -5.018 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.405 -7.557 -5.719 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.079 -7.294 -5.459 1.00 0.00 O ATOM 0 H TYR A 88 -7.214 -7.430 -8.851 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.243 -10.123 -7.749 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.080 -7.431 -6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.963 -8.928 -5.694 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.923 -6.522 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.896 -9.585 -4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.559 -6.053 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.532 -9.116 -4.266 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.827 -7.699 -4.603 1.00 0.00 H new ATOM 1381 N VAL A 89 -10.012 -8.400 -8.313 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.451 -8.526 -8.509 1.00 0.00 C ATOM 1383 C VAL A 89 -12.156 -8.909 -7.209 1.00 0.00 C ATOM 1384 O VAL A 89 -13.310 -9.339 -7.223 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.785 -9.575 -9.588 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -13.261 -9.516 -9.957 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -10.910 -9.375 -10.817 1.00 0.00 C ATOM 0 H VAL A 89 -9.651 -7.454 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.808 -7.550 -8.839 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.578 -10.565 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.476 -10.264 -10.720 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.865 -9.716 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.500 -8.525 -10.343 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.160 -10.125 -11.568 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.081 -8.380 -11.227 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.861 -9.477 -10.538 1.00 0.00 H new ATOM 1397 N ASP A 90 -11.459 -8.751 -6.087 1.00 0.00 N ATOM 1398 CA ASP A 90 -12.022 -9.080 -4.783 1.00 0.00 C ATOM 1399 C ASP A 90 -12.160 -7.833 -3.915 1.00 0.00 C ATOM 1400 O ASP A 90 -13.038 -7.756 -3.056 1.00 0.00 O ATOM 1401 CB ASP A 90 -11.147 -10.115 -4.073 1.00 0.00 C ATOM 1402 CG ASP A 90 -11.965 -11.144 -3.317 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -12.486 -10.807 -2.233 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -12.086 -12.285 -3.809 1.00 0.00 O ATOM 0 H ASP A 90 -10.503 -8.397 -6.056 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.015 -9.500 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.520 -10.621 -4.807 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.478 -9.606 -3.379 1.00 0.00 H new ATOM 1409 N LEU A 91 -11.286 -6.856 -4.145 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.312 -5.612 -3.383 1.00 0.00 C ATOM 1411 C LEU A 91 -12.079 -4.525 -4.131 1.00 0.00 C ATOM 1412 O LEU A 91 -11.834 -3.335 -3.935 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.886 -5.139 -3.094 1.00 0.00 C ATOM 1414 CG LEU A 91 -9.097 -6.017 -2.121 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.646 -6.132 -2.561 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.184 -5.457 -0.708 1.00 0.00 C ATOM 0 H LEU A 91 -10.552 -6.902 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.824 -5.805 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.340 -5.085 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.930 -4.127 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.536 -7.015 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.101 -6.760 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.601 -6.578 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.194 -5.140 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.617 -6.094 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.770 -4.449 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.227 -5.427 -0.392 1.00 0.00 H new ATOM 1428 N ARG A 92 -13.008 -4.940 -4.987 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.808 -3.997 -5.759 1.00 0.00 C ATOM 1430 C ARG A 92 -14.982 -3.478 -4.930 1.00 0.00 C ATOM 1431 O ARG A 92 -15.176 -2.269 -4.806 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.319 -4.657 -7.042 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.078 -3.823 -8.292 1.00 0.00 C ATOM 1434 CD ARG A 92 -15.359 -3.618 -9.084 1.00 0.00 C ATOM 1435 NE ARG A 92 -15.914 -4.880 -9.565 1.00 0.00 N ATOM 1436 CZ ARG A 92 -16.890 -4.965 -10.466 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -17.420 -3.866 -10.988 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -17.337 -6.154 -10.849 1.00 0.00 N ATOM 0 H ARG A 92 -13.225 -5.921 -5.163 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.174 -3.152 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.833 -5.625 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.388 -4.847 -6.942 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.665 -2.854 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.336 -4.315 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.095 -3.114 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.160 -2.963 -9.932 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.531 -5.747 -9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -17.080 -2.949 -10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -18.168 -3.938 -11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.933 -7.003 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.085 -6.219 -11.539 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.783 -4.388 -4.347 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.938 -4.010 -3.526 1.00 0.00 C ATOM 1454 C PRO A 93 -16.552 -3.060 -2.397 1.00 0.00 C ATOM 1455 O PRO A 93 -17.354 -2.232 -1.967 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.429 -5.343 -2.956 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.931 -6.374 -3.909 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.624 -5.851 -4.439 1.00 0.00 C ATOM 0 HA PRO A 93 -17.693 -3.479 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.039 -5.511 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.516 -5.365 -2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.794 -7.333 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.644 -6.535 -4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.780 -6.202 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.448 -6.173 -5.465 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.317 -3.189 -1.921 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.821 -2.343 -0.841 1.00 0.00 C ATOM 1468 C TRP A 94 -14.596 -0.916 -1.330 1.00 0.00 C ATOM 1469 O TRP A 94 -14.830 0.046 -0.598 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.518 -2.914 -0.279 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.007 -2.167 0.915 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.714 -1.824 2.032 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.678 -1.671 1.111 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.905 -1.144 2.911 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.651 -1.037 2.368 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.509 -1.701 0.347 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.500 -0.440 2.876 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.367 -1.108 0.853 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.369 -0.485 2.107 1.00 0.00 C ATOM 0 H TRP A 94 -14.642 -3.871 -2.266 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.572 -2.323 -0.051 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.675 -3.957 -0.006 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.757 -2.900 -1.060 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.756 -2.053 2.200 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.191 -0.779 3.819 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.497 -2.179 -0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.500 0.041 3.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.458 -1.126 0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.460 -0.031 2.474 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.141 -0.787 -2.572 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.886 0.523 -3.160 1.00 0.00 C ATOM 1492 C LEU A 95 -15.186 1.296 -3.350 1.00 0.00 C ATOM 1493 O LEU A 95 -15.304 2.446 -2.923 1.00 0.00 O ATOM 1494 CB LEU A 95 -13.168 0.371 -4.503 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.776 -0.259 -4.426 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.367 -0.813 -5.782 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.759 0.758 -3.933 1.00 0.00 C ATOM 0 H LEU A 95 -13.941 -1.573 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.248 1.083 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.789 -0.236 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.080 1.355 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.808 -1.084 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.374 -1.257 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.083 -1.573 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.350 -0.006 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.774 0.293 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.728 1.604 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.045 1.107 -2.941 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.159 0.659 -3.991 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.451 1.287 -4.237 1.00 0.00 C ATOM 1511 C LEU A 96 -18.137 1.653 -2.925 1.00 0.00 C ATOM 1512 O LEU A 96 -18.879 2.633 -2.853 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.349 0.352 -5.052 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.910 0.135 -6.500 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.690 -1.010 -7.128 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.090 1.411 -7.309 1.00 0.00 C ATOM 0 H LEU A 96 -16.077 -0.292 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.280 2.202 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.390 -0.615 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.362 0.754 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.852 -0.128 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.364 -1.150 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.511 -1.925 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.755 -0.777 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.772 1.238 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.140 1.704 -7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.487 2.207 -6.872 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.882 0.859 -1.889 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.474 1.101 -0.578 1.00 0.00 C ATOM 1530 C GLU A 97 -18.029 2.451 -0.023 1.00 0.00 C ATOM 1531 O GLU A 97 -18.838 3.367 0.129 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.089 -0.019 0.391 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.282 -0.670 1.072 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.182 -1.400 0.096 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -20.887 -0.724 -0.683 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -20.183 -2.649 0.110 1.00 0.00 O ATOM 0 H GLU A 97 -17.270 0.044 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.558 1.116 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.530 -0.781 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -17.422 0.384 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.927 -1.371 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.860 0.094 1.593 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.740 2.567 0.276 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.189 3.805 0.814 1.00 0.00 C ATOM 1545 C ILE A 98 -16.282 4.935 -0.205 1.00 0.00 C ATOM 1546 O ILE A 98 -16.419 6.103 0.158 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.717 3.629 1.236 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.874 3.163 0.049 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.612 2.641 2.388 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.384 3.257 0.292 1.00 0.00 C ATOM 0 H ILE A 98 -16.057 1.819 0.155 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.782 4.060 1.692 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.333 4.592 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.131 2.130 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.130 3.762 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.567 2.527 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.184 3.012 3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.010 1.675 2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.849 2.910 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.113 4.293 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.115 2.636 1.146 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.205 4.580 -1.483 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.283 5.575 -2.537 1.00 0.00 C ATOM 1564 C GLY A 99 -14.971 6.306 -2.742 1.00 0.00 C ATOM 1565 O GLY A 99 -14.889 7.517 -2.534 1.00 0.00 O ATOM 0 H GLY A 99 -16.090 3.620 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.575 5.091 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.063 6.296 -2.295 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.943 5.570 -3.153 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.630 6.157 -3.387 1.00 0.00 C ATOM 1571 C PHE A 100 -12.684 7.177 -4.519 1.00 0.00 C ATOM 1572 O PHE A 100 -12.026 8.216 -4.464 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.611 5.064 -3.719 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.187 5.486 -3.500 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.710 5.725 -2.221 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.324 5.643 -4.573 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.400 6.113 -2.016 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.013 6.032 -4.375 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.550 6.267 -3.095 1.00 0.00 C ATOM 0 H PHE A 100 -13.995 4.567 -3.331 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.321 6.668 -2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.820 4.186 -3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.737 4.765 -4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.370 5.607 -1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.680 5.459 -5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.041 6.296 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.351 6.152 -5.220 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.526 6.571 -2.938 1.00 0.00 H new