USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 646 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 37 ASN : amide:sc= 1.21 K(o=2.3,f=1.5) USER MOD Set 1.2: A 74 SER OG : rot 58:sc= 1.06 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.896 K(o=-0.9,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.442! K(o=-0.44!,f=-1.6) USER MOD Single : A 12 LYS NZ :NH3+ -144:sc= 1.1 (180deg=1.06) USER MOD Single : A 14 TYR OH : rot -112:sc= 1.26 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.284 USER MOD Single : A 28 TYR OH : rot -45:sc= 0.254 USER MOD Single : A 33 ASN : amide:sc= 0.76 K(o=0.76,f=-0.56) USER MOD Single : A 34 ASN : amide:sc= -0.0325 K(o=-0.032,f=-1.2!) USER MOD Single : A 40 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.01) USER MOD Single : A 41 THR OG1 : rot 102:sc= -0.347 USER MOD Single : A 44 SER OG : rot 41:sc= 0.0222 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.041) USER MOD Single : A 58 LYS NZ :NH3+ -130:sc= 0.395 (180deg=0) USER MOD Single : A 63 HIS : no HE2:sc= 0.955 K(o=0.95,f=-3.9!) USER MOD Single : A 67 ASN : amide:sc= -2.46! K(o=-2.5!,f=-0.011) USER MOD Single : A 68 ASN : amide:sc= -0.0855 K(o=-0.085,f=-1.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 110:sc= -2.69! USER MOD Single : A 76 SER OG : rot 180:sc= 0.022 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0275 X(o=-0.027,f=-0.44) USER MOD Single : A 81 MET CE :methyl -110:sc= -1.05 (180deg=-3.73!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0.753 (180deg=0.753) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.53! K(o=-1.5!,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -1.42 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.625 -0.172 -6.460 1.00 0.00 N ATOM 65 CA GLU A 5 15.864 -1.298 -6.977 1.00 0.00 C ATOM 66 C GLU A 5 14.606 -1.521 -6.145 1.00 0.00 C ATOM 67 O GLU A 5 14.599 -1.299 -4.934 1.00 0.00 O ATOM 68 CB GLU A 5 16.723 -2.568 -6.991 1.00 0.00 C ATOM 69 CG GLU A 5 15.987 -3.811 -7.483 1.00 0.00 C ATOM 70 CD GLU A 5 15.485 -3.682 -8.911 1.00 0.00 C ATOM 71 OE1 GLU A 5 14.554 -2.884 -9.152 1.00 0.00 O ATOM 72 OE2 GLU A 5 16.026 -4.376 -9.796 1.00 0.00 O ATOM 0 HA GLU A 5 15.567 -1.068 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.593 -2.399 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.095 -2.754 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.653 -4.671 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.142 -4.010 -6.824 1.00 0.00 H new ATOM 79 N ILE A 6 13.550 -1.961 -6.809 1.00 0.00 N ATOM 80 CA ILE A 6 12.284 -2.228 -6.154 1.00 0.00 C ATOM 81 C ILE A 6 12.362 -3.546 -5.390 1.00 0.00 C ATOM 82 O ILE A 6 12.388 -4.623 -5.989 1.00 0.00 O ATOM 83 CB ILE A 6 11.130 -2.288 -7.178 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.106 -1.011 -8.024 1.00 0.00 C ATOM 85 CG2 ILE A 6 9.798 -2.486 -6.469 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.076 -1.030 -9.130 1.00 0.00 C ATOM 0 H ILE A 6 13.548 -2.142 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 6 12.084 -1.413 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 6 11.294 -3.139 -7.839 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.910 -0.159 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.092 -0.858 -8.462 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.996 -2.526 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.821 -3.419 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.622 -1.655 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.120 -0.092 -9.684 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.282 -1.861 -9.805 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.082 -1.151 -8.699 1.00 0.00 H new ATOM 98 N LYS A 7 12.430 -3.455 -4.070 1.00 0.00 N ATOM 99 CA LYS A 7 12.560 -4.631 -3.228 1.00 0.00 C ATOM 100 C LYS A 7 11.193 -5.216 -2.911 1.00 0.00 C ATOM 101 O LYS A 7 10.349 -4.564 -2.292 1.00 0.00 O ATOM 102 CB LYS A 7 13.306 -4.276 -1.941 1.00 0.00 C ATOM 103 CG LYS A 7 14.685 -3.691 -2.198 1.00 0.00 C ATOM 104 CD LYS A 7 15.582 -4.681 -2.924 1.00 0.00 C ATOM 105 CE LYS A 7 16.875 -4.033 -3.386 1.00 0.00 C ATOM 106 NZ LYS A 7 17.818 -5.036 -3.951 1.00 0.00 N ATOM 0 H LYS A 7 12.397 -2.573 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 7 13.134 -5.384 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.714 -3.561 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.405 -5.171 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.591 -2.781 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.144 -3.409 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.810 -5.518 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.052 -5.089 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.655 -3.276 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.347 -3.521 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.690 -4.559 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.047 -5.745 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.377 -5.506 -4.767 1.00 0.00 H new ATOM 120 N GLN A 8 10.972 -6.440 -3.364 1.00 0.00 N ATOM 121 CA GLN A 8 9.717 -7.130 -3.125 1.00 0.00 C ATOM 122 C GLN A 8 9.616 -7.577 -1.674 1.00 0.00 C ATOM 123 O GLN A 8 10.460 -8.328 -1.180 1.00 0.00 O ATOM 124 CB GLN A 8 9.586 -8.339 -4.048 1.00 0.00 C ATOM 125 CG GLN A 8 9.527 -7.975 -5.521 1.00 0.00 C ATOM 126 CD GLN A 8 9.502 -9.191 -6.427 1.00 0.00 C ATOM 127 OE1 GLN A 8 9.993 -9.148 -7.555 1.00 0.00 O ATOM 128 NE2 GLN A 8 8.940 -10.287 -5.942 1.00 0.00 N ATOM 0 H GLN A 8 11.651 -6.978 -3.902 1.00 0.00 H new ATOM 0 HA GLN A 8 8.905 -6.434 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.431 -9.007 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.685 -8.892 -3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.638 -7.372 -5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.389 -7.358 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.544 -10.284 -5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.903 -11.135 -6.508 1.00 0.00 H new ATOM 137 N GLY A 9 8.585 -7.111 -1.000 1.00 0.00 N ATOM 138 CA GLY A 9 8.369 -7.475 0.383 1.00 0.00 C ATOM 139 C GLY A 9 7.043 -8.174 0.578 1.00 0.00 C ATOM 140 O GLY A 9 6.448 -8.654 -0.387 1.00 0.00 O ATOM 0 H GLY A 9 7.884 -6.480 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.176 -8.126 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.403 -6.580 1.004 1.00 0.00 H new ATOM 144 N GLU A 10 6.568 -8.208 1.815 1.00 0.00 N ATOM 145 CA GLU A 10 5.313 -8.877 2.137 1.00 0.00 C ATOM 146 C GLU A 10 4.126 -8.110 1.556 1.00 0.00 C ATOM 147 O GLU A 10 3.646 -7.141 2.148 1.00 0.00 O ATOM 148 CB GLU A 10 5.153 -9.069 3.658 1.00 0.00 C ATOM 149 CG GLU A 10 5.397 -7.816 4.498 1.00 0.00 C ATOM 150 CD GLU A 10 6.865 -7.561 4.779 1.00 0.00 C ATOM 151 OE1 GLU A 10 7.536 -6.918 3.943 1.00 0.00 O ATOM 152 OE2 GLU A 10 7.358 -7.998 5.839 1.00 0.00 O ATOM 0 H GLU A 10 7.033 -7.779 2.615 1.00 0.00 H new ATOM 0 HA GLU A 10 5.337 -9.867 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.145 -9.432 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.843 -9.847 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.977 -6.953 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.864 -7.911 5.444 1.00 0.00 H new ATOM 159 N ASN A 11 3.688 -8.539 0.371 1.00 0.00 N ATOM 160 CA ASN A 11 2.575 -7.903 -0.338 1.00 0.00 C ATOM 161 C ASN A 11 2.902 -6.435 -0.637 1.00 0.00 C ATOM 162 O ASN A 11 2.012 -5.611 -0.860 1.00 0.00 O ATOM 163 CB ASN A 11 1.284 -8.022 0.492 1.00 0.00 C ATOM 164 CG ASN A 11 0.034 -7.625 -0.280 1.00 0.00 C ATOM 165 OD1 ASN A 11 -0.927 -7.112 0.295 1.00 0.00 O ATOM 166 ND2 ASN A 11 0.028 -7.879 -1.581 1.00 0.00 N ATOM 0 H ASN A 11 4.093 -9.334 -0.123 1.00 0.00 H new ATOM 0 HA ASN A 11 2.421 -8.415 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.177 -9.050 0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.371 -7.393 1.378 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.792 -7.648 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.844 -8.305 -2.021 1.00 0.00 H new ATOM 173 N LYS A 12 4.193 -6.116 -0.680 1.00 0.00 N ATOM 174 CA LYS A 12 4.622 -4.733 -0.816 1.00 0.00 C ATOM 175 C LYS A 12 5.818 -4.592 -1.748 1.00 0.00 C ATOM 176 O LYS A 12 6.539 -5.556 -2.017 1.00 0.00 O ATOM 177 CB LYS A 12 5.003 -4.155 0.550 1.00 0.00 C ATOM 178 CG LYS A 12 6.199 -4.851 1.179 1.00 0.00 C ATOM 179 CD LYS A 12 6.803 -4.045 2.313 1.00 0.00 C ATOM 180 CE LYS A 12 5.846 -3.898 3.480 1.00 0.00 C ATOM 181 NZ LYS A 12 6.444 -3.094 4.575 1.00 0.00 N ATOM 0 H LYS A 12 4.953 -6.794 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 12 3.781 -4.186 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.224 -3.093 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.149 -4.234 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.893 -5.828 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.958 -5.026 0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.718 -4.529 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.082 -3.057 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.926 -3.424 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.576 -4.884 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.134 -3.473 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.481 -3.141 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.136 -2.104 4.487 1.00 0.00 H new ATOM 195 N PHE A 13 6.003 -3.377 -2.231 1.00 0.00 N ATOM 196 CA PHE A 13 7.209 -2.986 -2.941 1.00 0.00 C ATOM 197 C PHE A 13 7.827 -1.800 -2.220 1.00 0.00 C ATOM 198 O PHE A 13 7.224 -0.728 -2.161 1.00 0.00 O ATOM 199 CB PHE A 13 6.904 -2.600 -4.394 1.00 0.00 C ATOM 200 CG PHE A 13 6.427 -3.735 -5.256 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.170 -4.899 -5.365 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.238 -3.635 -5.961 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.737 -5.940 -6.161 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.801 -4.674 -6.761 1.00 0.00 C ATOM 205 CZ PHE A 13 5.549 -5.827 -6.860 1.00 0.00 C ATOM 0 H PHE A 13 5.316 -2.628 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 13 7.898 -3.831 -2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.147 -1.816 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.804 -2.176 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.098 -4.993 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.646 -2.735 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.326 -6.842 -6.238 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.874 -4.582 -7.308 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.208 -6.641 -7.482 1.00 0.00 H new ATOM 215 N TYR A 14 9.009 -1.981 -1.652 1.00 0.00 N ATOM 216 CA TYR A 14 9.615 -0.916 -0.870 1.00 0.00 C ATOM 217 C TYR A 14 11.045 -0.637 -1.314 1.00 0.00 C ATOM 218 O TYR A 14 11.745 -1.522 -1.807 1.00 0.00 O ATOM 219 CB TYR A 14 9.571 -1.245 0.628 1.00 0.00 C ATOM 220 CG TYR A 14 10.484 -2.374 1.058 1.00 0.00 C ATOM 221 CD1 TYR A 14 10.138 -3.702 0.843 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.688 -2.105 1.698 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.967 -4.729 1.253 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.522 -3.125 2.105 1.00 0.00 C ATOM 225 CZ TYR A 14 12.158 -4.434 1.881 1.00 0.00 C ATOM 226 OH TYR A 14 12.980 -5.453 2.306 1.00 0.00 O ATOM 0 H TYR A 14 9.559 -2.838 -1.715 1.00 0.00 H new ATOM 0 HA TYR A 14 9.031 -0.012 -1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.835 -0.349 1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.547 -1.501 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.207 -3.936 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.975 -1.080 1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.683 -5.757 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.456 -2.898 2.597 1.00 0.00 H new ATOM 0 HH TYR A 14 13.002 -5.469 3.286 1.00 0.00 H new ATOM 236 N ILE A 15 11.455 0.611 -1.153 1.00 0.00 N ATOM 237 CA ILE A 15 12.802 1.047 -1.503 1.00 0.00 C ATOM 238 C ILE A 15 13.281 2.061 -0.469 1.00 0.00 C ATOM 239 O ILE A 15 12.472 2.789 0.107 1.00 0.00 O ATOM 240 CB ILE A 15 12.854 1.709 -2.906 1.00 0.00 C ATOM 241 CG1 ILE A 15 12.206 0.813 -3.966 1.00 0.00 C ATOM 242 CG2 ILE A 15 14.294 2.024 -3.297 1.00 0.00 C ATOM 243 CD1 ILE A 15 12.154 1.444 -5.341 1.00 0.00 C ATOM 0 H ILE A 15 10.865 1.352 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 15 13.443 0.165 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 15 12.290 2.640 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.760 -0.124 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.193 0.565 -3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.310 2.488 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.728 2.708 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.875 1.102 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.683 0.754 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.575 2.367 -5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.166 1.667 -5.678 1.00 0.00 H new ATOM 255 N GLY A 16 14.582 2.110 -0.223 1.00 0.00 N ATOM 256 CA GLY A 16 15.117 3.113 0.675 1.00 0.00 C ATOM 257 C GLY A 16 16.517 2.793 1.142 1.00 0.00 C ATOM 258 O GLY A 16 17.095 1.785 0.739 1.00 0.00 O ATOM 0 H GLY A 16 15.273 1.478 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.119 4.080 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.462 3.205 1.541 1.00 0.00 H new ATOM 262 N ASP A 17 17.062 3.657 1.992 1.00 0.00 N ATOM 263 CA ASP A 17 18.387 3.439 2.571 1.00 0.00 C ATOM 264 C ASP A 17 18.335 2.253 3.520 1.00 0.00 C ATOM 265 O ASP A 17 19.325 1.550 3.729 1.00 0.00 O ATOM 266 CB ASP A 17 18.860 4.686 3.328 1.00 0.00 C ATOM 267 CG ASP A 17 18.773 5.946 2.493 1.00 0.00 C ATOM 268 OD1 ASP A 17 19.681 6.188 1.668 1.00 0.00 O ATOM 269 OD2 ASP A 17 17.794 6.704 2.663 1.00 0.00 O ATOM 0 H ASP A 17 16.607 4.517 2.297 1.00 0.00 H new ATOM 0 HA ASP A 17 19.092 3.236 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.258 4.810 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.891 4.540 3.652 1.00 0.00 H new ATOM 274 N ASP A 18 17.158 2.049 4.086 1.00 0.00 N ATOM 275 CA ASP A 18 16.895 0.935 4.978 1.00 0.00 C ATOM 276 C ASP A 18 15.397 0.651 4.970 1.00 0.00 C ATOM 277 O ASP A 18 14.625 1.459 4.453 1.00 0.00 O ATOM 278 CB ASP A 18 17.371 1.259 6.397 1.00 0.00 C ATOM 279 CG ASP A 18 17.269 0.067 7.320 1.00 0.00 C ATOM 280 OD1 ASP A 18 18.163 -0.804 7.275 1.00 0.00 O ATOM 281 OD2 ASP A 18 16.279 -0.024 8.071 1.00 0.00 O ATOM 0 H ASP A 18 16.352 2.657 3.938 1.00 0.00 H new ATOM 0 HA ASP A 18 17.440 0.054 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.405 1.602 6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.777 2.080 6.799 1.00 0.00 H new ATOM 286 N GLU A 19 14.985 -0.480 5.532 1.00 0.00 N ATOM 287 CA GLU A 19 13.576 -0.851 5.558 1.00 0.00 C ATOM 288 C GLU A 19 12.825 0.009 6.575 1.00 0.00 C ATOM 289 O GLU A 19 11.633 0.281 6.425 1.00 0.00 O ATOM 290 CB GLU A 19 13.429 -2.339 5.890 1.00 0.00 C ATOM 291 CG GLU A 19 12.047 -2.897 5.599 1.00 0.00 C ATOM 292 CD GLU A 19 11.984 -4.401 5.744 1.00 0.00 C ATOM 293 OE1 GLU A 19 12.664 -5.107 4.966 1.00 0.00 O ATOM 294 OE2 GLU A 19 11.245 -4.888 6.621 1.00 0.00 O ATOM 0 H GLU A 19 15.607 -1.156 5.976 1.00 0.00 H new ATOM 0 HA GLU A 19 13.143 -0.675 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.166 -2.904 5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.657 -2.491 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.325 -2.440 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.754 -2.621 4.586 1.00 0.00 H new ATOM 301 N ASN A 20 13.539 0.452 7.603 1.00 0.00 N ATOM 302 CA ASN A 20 12.968 1.345 8.605 1.00 0.00 C ATOM 303 C ASN A 20 12.783 2.742 8.019 1.00 0.00 C ATOM 304 O ASN A 20 11.818 3.444 8.326 1.00 0.00 O ATOM 305 CB ASN A 20 13.882 1.409 9.833 1.00 0.00 C ATOM 306 CG ASN A 20 13.313 2.268 10.946 1.00 0.00 C ATOM 307 OD1 ASN A 20 13.540 3.479 10.998 1.00 0.00 O ATOM 308 ND2 ASN A 20 12.575 1.645 11.851 1.00 0.00 N ATOM 0 H ASN A 20 14.516 0.207 7.765 1.00 0.00 H new ATOM 0 HA ASN A 20 11.995 0.958 8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.049 0.400 10.209 1.00 0.00 H new ATOM 0 HB3 ASN A 20 14.854 1.804 9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.170 2.168 12.627 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.411 0.641 11.772 1.00 0.00 H new ATOM 315 N ASN A 21 13.705 3.124 7.149 1.00 0.00 N ATOM 316 CA ASN A 21 13.687 4.446 6.536 1.00 0.00 C ATOM 317 C ASN A 21 13.284 4.341 5.071 1.00 0.00 C ATOM 318 O ASN A 21 13.895 4.967 4.198 1.00 0.00 O ATOM 319 CB ASN A 21 15.065 5.108 6.650 1.00 0.00 C ATOM 320 CG ASN A 21 15.580 5.148 8.077 1.00 0.00 C ATOM 321 OD1 ASN A 21 16.276 4.234 8.520 1.00 0.00 O ATOM 322 ND2 ASN A 21 15.246 6.203 8.806 1.00 0.00 N ATOM 0 H ASN A 21 14.481 2.534 6.849 1.00 0.00 H new ATOM 0 HA ASN A 21 12.957 5.060 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 21 15.776 4.566 6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.009 6.124 6.260 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.568 6.279 9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.667 6.940 8.402 1.00 0.00 H new ATOM 329 N ALA A 22 12.252 3.543 4.811 1.00 0.00 N ATOM 330 CA ALA A 22 11.767 3.319 3.455 1.00 0.00 C ATOM 331 C ALA A 22 11.229 4.604 2.834 1.00 0.00 C ATOM 332 O ALA A 22 10.253 5.182 3.316 1.00 0.00 O ATOM 333 CB ALA A 22 10.690 2.241 3.448 1.00 0.00 C ATOM 0 H ALA A 22 11.733 3.038 5.529 1.00 0.00 H new ATOM 0 HA ALA A 22 12.611 2.984 2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.338 2.085 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.104 1.310 3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.856 2.556 4.076 1.00 0.00 H new ATOM 339 N LEU A 23 11.877 5.044 1.764 1.00 0.00 N ATOM 340 CA LEU A 23 11.437 6.220 1.026 1.00 0.00 C ATOM 341 C LEU A 23 10.432 5.810 -0.042 1.00 0.00 C ATOM 342 O LEU A 23 9.880 6.641 -0.757 1.00 0.00 O ATOM 343 CB LEU A 23 12.632 6.929 0.383 1.00 0.00 C ATOM 344 CG LEU A 23 13.650 7.514 1.364 1.00 0.00 C ATOM 345 CD1 LEU A 23 14.817 8.140 0.616 1.00 0.00 C ATOM 346 CD2 LEU A 23 12.985 8.541 2.271 1.00 0.00 C ATOM 0 H LEU A 23 12.714 4.601 1.386 1.00 0.00 H new ATOM 0 HA LEU A 23 10.960 6.912 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.145 6.222 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.258 7.734 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 23 14.035 6.704 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.530 8.550 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.309 7.381 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.450 8.938 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.723 8.947 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.572 9.348 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.183 8.064 2.835 1.00 0.00 H new ATOM 358 N ALA A 24 10.226 4.509 -0.150 1.00 0.00 N ATOM 359 CA ALA A 24 9.234 3.949 -1.042 1.00 0.00 C ATOM 360 C ALA A 24 8.552 2.784 -0.355 1.00 0.00 C ATOM 361 O ALA A 24 9.222 1.877 0.137 1.00 0.00 O ATOM 362 CB ALA A 24 9.880 3.505 -2.343 1.00 0.00 C ATOM 0 H ALA A 24 10.746 3.811 0.382 1.00 0.00 H new ATOM 0 HA ALA A 24 8.490 4.708 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.120 3.086 -3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.349 4.362 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.636 2.748 -2.134 1.00 0.00 H new ATOM 368 N GLU A 25 7.235 2.829 -0.287 1.00 0.00 N ATOM 369 CA GLU A 25 6.461 1.804 0.393 1.00 0.00 C ATOM 370 C GLU A 25 5.048 1.748 -0.182 1.00 0.00 C ATOM 371 O GLU A 25 4.286 2.707 -0.056 1.00 0.00 O ATOM 372 CB GLU A 25 6.416 2.117 1.894 1.00 0.00 C ATOM 373 CG GLU A 25 5.534 1.184 2.707 1.00 0.00 C ATOM 374 CD GLU A 25 6.084 -0.220 2.817 1.00 0.00 C ATOM 375 OE1 GLU A 25 5.867 -1.021 1.891 1.00 0.00 O ATOM 376 OE2 GLU A 25 6.715 -0.533 3.852 1.00 0.00 O ATOM 0 H GLU A 25 6.672 3.573 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 25 6.931 0.832 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.430 2.075 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.063 3.139 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.408 1.596 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.544 1.144 2.252 1.00 0.00 H new ATOM 383 N ILE A 26 4.700 0.641 -0.820 1.00 0.00 N ATOM 384 CA ILE A 26 3.384 0.501 -1.431 1.00 0.00 C ATOM 385 C ILE A 26 2.873 -0.932 -1.304 1.00 0.00 C ATOM 386 O ILE A 26 3.616 -1.886 -1.531 1.00 0.00 O ATOM 387 CB ILE A 26 3.401 0.938 -2.918 1.00 0.00 C ATOM 388 CG1 ILE A 26 2.005 0.809 -3.536 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.421 0.132 -3.718 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.922 1.308 -4.963 1.00 0.00 C ATOM 0 H ILE A 26 5.307 -0.172 -0.929 1.00 0.00 H new ATOM 0 HA ILE A 26 2.703 1.161 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 26 3.699 1.986 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.700 -0.237 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.294 1.364 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.410 0.461 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.415 0.286 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.167 -0.927 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.904 1.185 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.195 2.363 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.607 0.736 -5.589 1.00 0.00 H new ATOM 402 N THR A 27 1.608 -1.072 -0.924 1.00 0.00 N ATOM 403 CA THR A 27 1.005 -2.383 -0.733 1.00 0.00 C ATOM 404 C THR A 27 -0.234 -2.546 -1.605 1.00 0.00 C ATOM 405 O THR A 27 -1.031 -1.615 -1.748 1.00 0.00 O ATOM 406 CB THR A 27 0.617 -2.616 0.744 1.00 0.00 C ATOM 407 OG1 THR A 27 -0.209 -1.541 1.219 1.00 0.00 O ATOM 408 CG2 THR A 27 1.854 -2.738 1.625 1.00 0.00 C ATOM 0 H THR A 27 0.979 -0.290 -0.742 1.00 0.00 H new ATOM 0 HA THR A 27 1.752 -3.122 -1.023 1.00 0.00 H new ATOM 0 HB THR A 27 0.060 -3.551 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.449 -1.702 2.155 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.550 -2.901 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.459 -3.579 1.288 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.439 -1.821 1.560 1.00 0.00 H new ATOM 416 N TYR A 28 -0.396 -3.727 -2.186 1.00 0.00 N ATOM 417 CA TYR A 28 -1.537 -4.006 -3.046 1.00 0.00 C ATOM 418 C TYR A 28 -2.286 -5.246 -2.559 1.00 0.00 C ATOM 419 O TYR A 28 -1.875 -6.379 -2.803 1.00 0.00 O ATOM 420 CB TYR A 28 -1.093 -4.164 -4.515 1.00 0.00 C ATOM 421 CG TYR A 28 0.047 -5.141 -4.732 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.360 -4.771 -4.468 1.00 0.00 C ATOM 423 CD2 TYR A 28 -0.189 -6.429 -5.197 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.402 -5.655 -4.661 1.00 0.00 C ATOM 425 CE2 TYR A 28 0.848 -7.319 -5.393 1.00 0.00 C ATOM 426 CZ TYR A 28 2.142 -6.927 -5.122 1.00 0.00 C ATOM 427 OH TYR A 28 3.179 -7.811 -5.313 1.00 0.00 O ATOM 0 H TYR A 28 0.250 -4.509 -2.077 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.220 -3.158 -2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.949 -4.489 -5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.794 -3.188 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.569 -3.775 -4.106 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.202 -6.739 -5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.417 -5.351 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.647 -8.316 -5.756 1.00 0.00 H new ATOM 0 HH TYR A 28 3.917 -7.356 -5.769 1.00 0.00 H new ATOM 437 N ARG A 29 -3.383 -5.025 -1.854 1.00 0.00 N ATOM 438 CA ARG A 29 -4.130 -6.121 -1.254 1.00 0.00 C ATOM 439 C ARG A 29 -5.281 -6.551 -2.151 1.00 0.00 C ATOM 440 O ARG A 29 -6.002 -5.718 -2.693 1.00 0.00 O ATOM 441 CB ARG A 29 -4.673 -5.710 0.110 1.00 0.00 C ATOM 442 CG ARG A 29 -3.595 -5.317 1.109 1.00 0.00 C ATOM 443 CD ARG A 29 -4.196 -4.796 2.408 1.00 0.00 C ATOM 444 NE ARG A 29 -5.179 -5.721 2.971 1.00 0.00 N ATOM 445 CZ ARG A 29 -4.979 -6.454 4.066 1.00 0.00 C ATOM 446 NH1 ARG A 29 -3.822 -6.379 4.718 1.00 0.00 N ATOM 447 NH2 ARG A 29 -5.938 -7.260 4.512 1.00 0.00 N ATOM 0 H ARG A 29 -3.776 -4.100 -1.683 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.448 -6.962 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.357 -4.872 -0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.254 -6.535 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.963 -6.179 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.954 -4.551 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.400 -4.629 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.670 -3.831 2.226 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.076 -5.811 2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.085 -5.759 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.671 -6.941 5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.827 -7.318 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.784 -7.821 5.350 1.00 0.00 H new ATOM 461 N PHE A 30 -5.453 -7.853 -2.294 1.00 0.00 N ATOM 462 CA PHE A 30 -6.539 -8.395 -3.101 1.00 0.00 C ATOM 463 C PHE A 30 -7.855 -8.275 -2.347 1.00 0.00 C ATOM 464 O PHE A 30 -7.989 -8.795 -1.240 1.00 0.00 O ATOM 465 CB PHE A 30 -6.266 -9.858 -3.462 1.00 0.00 C ATOM 466 CG PHE A 30 -5.092 -10.048 -4.381 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.815 -10.227 -3.872 1.00 0.00 C ATOM 468 CD2 PHE A 30 -5.266 -10.051 -5.755 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.737 -10.406 -4.716 1.00 0.00 C ATOM 470 CE2 PHE A 30 -4.190 -10.229 -6.605 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.924 -10.406 -6.084 1.00 0.00 C ATOM 0 H PHE A 30 -4.855 -8.558 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.605 -7.822 -4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.093 -10.422 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.155 -10.278 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.662 -10.226 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.254 -9.913 -6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.748 -10.546 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.340 -10.230 -7.675 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.081 -10.544 -6.745 1.00 0.00 H new ATOM 481 N VAL A 31 -8.817 -7.572 -2.929 1.00 0.00 N ATOM 482 CA VAL A 31 -10.097 -7.367 -2.268 1.00 0.00 C ATOM 483 C VAL A 31 -11.194 -8.263 -2.841 1.00 0.00 C ATOM 484 O VAL A 31 -11.889 -8.945 -2.087 1.00 0.00 O ATOM 485 CB VAL A 31 -10.546 -5.888 -2.320 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.663 -5.034 -1.424 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.526 -5.354 -3.744 1.00 0.00 C ATOM 0 H VAL A 31 -8.737 -7.138 -3.849 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.942 -7.644 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.572 -5.837 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.992 -3.996 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.735 -5.390 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.629 -5.103 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.847 -4.312 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.515 -5.423 -4.144 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.202 -5.943 -4.363 1.00 0.00 H new ATOM 497 N ASP A 32 -11.340 -8.289 -4.161 1.00 0.00 N ATOM 498 CA ASP A 32 -12.433 -9.035 -4.773 1.00 0.00 C ATOM 499 C ASP A 32 -11.921 -10.268 -5.514 1.00 0.00 C ATOM 500 O ASP A 32 -11.935 -11.368 -4.963 1.00 0.00 O ATOM 501 CB ASP A 32 -13.239 -8.134 -5.709 1.00 0.00 C ATOM 502 CG ASP A 32 -14.574 -8.739 -6.101 1.00 0.00 C ATOM 503 OD1 ASP A 32 -14.629 -9.507 -7.087 1.00 0.00 O ATOM 504 OD2 ASP A 32 -15.581 -8.447 -5.421 1.00 0.00 O ATOM 0 H ASP A 32 -10.726 -7.810 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.090 -9.381 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.409 -7.173 -5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.656 -7.938 -6.609 1.00 0.00 H new ATOM 509 N ASN A 33 -11.460 -10.096 -6.748 1.00 0.00 N ATOM 510 CA ASN A 33 -10.975 -11.233 -7.531 1.00 0.00 C ATOM 511 C ASN A 33 -9.684 -10.894 -8.284 1.00 0.00 C ATOM 512 O ASN A 33 -8.731 -11.668 -8.263 1.00 0.00 O ATOM 513 CB ASN A 33 -12.068 -11.734 -8.497 1.00 0.00 C ATOM 514 CG ASN A 33 -12.365 -10.769 -9.632 1.00 0.00 C ATOM 515 OD1 ASN A 33 -11.813 -10.892 -10.728 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.231 -9.801 -9.379 1.00 0.00 N ATOM 0 H ASN A 33 -11.411 -9.196 -7.225 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.739 -12.038 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.759 -12.691 -8.917 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.984 -11.913 -7.934 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.463 -9.122 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.666 -9.734 -8.459 1.00 0.00 H new ATOM 523 N ASN A 34 -9.650 -9.741 -8.943 1.00 0.00 N ATOM 524 CA ASN A 34 -8.445 -9.295 -9.648 1.00 0.00 C ATOM 525 C ASN A 34 -8.113 -7.867 -9.257 1.00 0.00 C ATOM 526 O ASN A 34 -7.153 -7.275 -9.748 1.00 0.00 O ATOM 527 CB ASN A 34 -8.616 -9.367 -11.172 1.00 0.00 C ATOM 528 CG ASN A 34 -8.539 -10.779 -11.723 1.00 0.00 C ATOM 529 OD1 ASN A 34 -7.887 -11.654 -11.151 1.00 0.00 O ATOM 530 ND2 ASN A 34 -9.180 -11.008 -12.859 1.00 0.00 N ATOM 0 H ASN A 34 -10.438 -9.097 -9.006 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.634 -9.964 -9.360 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.578 -8.932 -11.443 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.846 -8.758 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.143 -11.933 -13.288 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.710 -10.260 -13.305 1.00 0.00 H new ATOM 537 N GLU A 35 -8.933 -7.318 -8.383 1.00 0.00 N ATOM 538 CA GLU A 35 -8.800 -5.945 -7.956 1.00 0.00 C ATOM 539 C GLU A 35 -7.734 -5.828 -6.879 1.00 0.00 C ATOM 540 O GLU A 35 -7.934 -6.266 -5.740 1.00 0.00 O ATOM 541 CB GLU A 35 -10.141 -5.414 -7.423 1.00 0.00 C ATOM 542 CG GLU A 35 -11.279 -5.413 -8.440 1.00 0.00 C ATOM 543 CD GLU A 35 -11.719 -6.807 -8.853 1.00 0.00 C ATOM 544 OE1 GLU A 35 -11.477 -7.769 -8.088 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.288 -6.950 -9.954 1.00 0.00 O ATOM 0 H GLU A 35 -9.711 -7.815 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.502 -5.346 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.439 -6.017 -6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.995 -4.396 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.132 -4.880 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.964 -4.862 -9.326 1.00 0.00 H new ATOM 552 N ILE A 36 -6.600 -5.259 -7.247 1.00 0.00 N ATOM 553 CA ILE A 36 -5.534 -5.004 -6.300 1.00 0.00 C ATOM 554 C ILE A 36 -5.707 -3.620 -5.688 1.00 0.00 C ATOM 555 O ILE A 36 -5.573 -2.597 -6.362 1.00 0.00 O ATOM 556 CB ILE A 36 -4.133 -5.142 -6.945 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.058 -4.371 -8.270 1.00 0.00 C ATOM 558 CG2 ILE A 36 -3.802 -6.611 -7.159 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.692 -4.417 -8.923 1.00 0.00 C ATOM 0 H ILE A 36 -6.395 -4.964 -8.202 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.599 -5.759 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.397 -4.710 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.795 -4.780 -8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.331 -3.331 -8.091 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.815 -6.699 -7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.808 -7.129 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.546 -7.059 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.715 -3.851 -9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.953 -3.981 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.424 -5.452 -9.134 1.00 0.00 H new ATOM 571 N ASN A 37 -6.054 -3.603 -4.415 1.00 0.00 N ATOM 572 CA ASN A 37 -6.303 -2.366 -3.700 1.00 0.00 C ATOM 573 C ASN A 37 -5.012 -1.818 -3.122 1.00 0.00 C ATOM 574 O ASN A 37 -4.414 -2.422 -2.226 1.00 0.00 O ATOM 575 CB ASN A 37 -7.312 -2.602 -2.575 1.00 0.00 C ATOM 576 CG ASN A 37 -7.568 -1.360 -1.738 1.00 0.00 C ATOM 577 OD1 ASN A 37 -7.517 -0.233 -2.236 1.00 0.00 O ATOM 578 ND2 ASN A 37 -7.843 -1.557 -0.457 1.00 0.00 N ATOM 0 H ASN A 37 -6.171 -4.443 -3.849 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.712 -1.639 -4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.253 -2.945 -3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.947 -3.400 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.022 -0.761 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.876 -2.505 -0.082 1.00 0.00 H new ATOM 585 N ILE A 38 -4.574 -0.693 -3.653 1.00 0.00 N ATOM 586 CA ILE A 38 -3.429 0.004 -3.107 1.00 0.00 C ATOM 587 C ILE A 38 -3.812 0.645 -1.780 1.00 0.00 C ATOM 588 O ILE A 38 -4.467 1.692 -1.737 1.00 0.00 O ATOM 589 CB ILE A 38 -2.891 1.077 -4.075 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.474 0.435 -5.401 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.714 1.807 -3.448 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.056 1.434 -6.461 1.00 0.00 C ATOM 0 H ILE A 38 -4.996 -0.242 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.633 -0.725 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.684 1.799 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.648 -0.252 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.304 -0.159 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.343 2.562 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.035 2.289 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.919 1.094 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.775 0.903 -7.371 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.887 2.106 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.205 2.012 -6.101 1.00 0.00 H new ATOM 604 N ASP A 39 -3.426 -0.014 -0.700 1.00 0.00 N ATOM 605 CA ASP A 39 -3.782 0.428 0.638 1.00 0.00 C ATOM 606 C ASP A 39 -2.801 1.477 1.129 1.00 0.00 C ATOM 607 O ASP A 39 -3.177 2.605 1.443 1.00 0.00 O ATOM 608 CB ASP A 39 -3.798 -0.764 1.602 1.00 0.00 C ATOM 609 CG ASP A 39 -4.150 -0.371 3.026 1.00 0.00 C ATOM 610 OD1 ASP A 39 -3.264 0.139 3.746 1.00 0.00 O ATOM 611 OD2 ASP A 39 -5.306 -0.586 3.435 1.00 0.00 O ATOM 0 H ASP A 39 -2.862 -0.863 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.778 0.870 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.517 -1.502 1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.819 -1.243 1.595 1.00 0.00 H new ATOM 616 N HIS A 40 -1.536 1.102 1.177 1.00 0.00 N ATOM 617 CA HIS A 40 -0.508 1.964 1.729 1.00 0.00 C ATOM 618 C HIS A 40 0.393 2.491 0.621 1.00 0.00 C ATOM 619 O HIS A 40 0.817 1.741 -0.254 1.00 0.00 O ATOM 620 CB HIS A 40 0.313 1.184 2.759 1.00 0.00 C ATOM 621 CG HIS A 40 1.265 2.022 3.553 1.00 0.00 C ATOM 622 ND1 HIS A 40 1.032 2.389 4.860 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.466 2.551 3.226 1.00 0.00 C ATOM 624 CE1 HIS A 40 2.046 3.107 5.300 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.927 3.219 4.328 1.00 0.00 N ATOM 0 H HIS A 40 -1.195 0.202 0.839 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.980 2.816 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.369 0.682 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.876 0.406 2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.967 2.463 2.274 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.138 3.531 6.289 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.812 3.723 4.387 1.00 0.00 H new ATOM 634 N THR A 41 0.665 3.787 0.655 1.00 0.00 N ATOM 635 CA THR A 41 1.592 4.394 -0.285 1.00 0.00 C ATOM 636 C THR A 41 2.398 5.494 0.397 1.00 0.00 C ATOM 637 O THR A 41 1.885 6.580 0.673 1.00 0.00 O ATOM 638 CB THR A 41 0.856 4.971 -1.508 1.00 0.00 C ATOM 639 OG1 THR A 41 0.018 3.964 -2.082 1.00 0.00 O ATOM 640 CG2 THR A 41 1.841 5.466 -2.557 1.00 0.00 C ATOM 0 H THR A 41 0.256 4.438 1.325 1.00 0.00 H new ATOM 0 HA THR A 41 2.269 3.612 -0.630 1.00 0.00 H new ATOM 0 HB THR A 41 0.252 5.815 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.911 4.117 -1.810 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.293 5.868 -3.409 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.468 6.247 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.468 4.638 -2.887 1.00 0.00 H new ATOM 648 N GLY A 42 3.650 5.190 0.694 1.00 0.00 N ATOM 649 CA GLY A 42 4.524 6.151 1.325 1.00 0.00 C ATOM 650 C GLY A 42 5.751 6.424 0.486 1.00 0.00 C ATOM 651 O GLY A 42 6.643 5.583 0.388 1.00 0.00 O ATOM 0 H GLY A 42 4.080 4.284 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.982 7.082 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.827 5.780 2.304 1.00 0.00 H new ATOM 655 N VAL A 43 5.782 7.589 -0.139 1.00 0.00 N ATOM 656 CA VAL A 43 6.909 7.983 -0.968 1.00 0.00 C ATOM 657 C VAL A 43 7.683 9.096 -0.266 1.00 0.00 C ATOM 658 O VAL A 43 7.120 9.804 0.572 1.00 0.00 O ATOM 659 CB VAL A 43 6.440 8.461 -2.364 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.620 8.679 -3.299 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.463 7.463 -2.968 1.00 0.00 C ATOM 0 H VAL A 43 5.035 8.282 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 43 7.554 7.117 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 43 5.932 9.417 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.257 9.014 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.283 9.435 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.167 7.744 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.144 7.815 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.950 6.494 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.594 7.365 -2.317 1.00 0.00 H new ATOM 671 N SER A 44 8.966 9.227 -0.583 1.00 0.00 N ATOM 672 CA SER A 44 9.820 10.233 0.031 1.00 0.00 C ATOM 673 C SER A 44 9.207 11.621 -0.060 1.00 0.00 C ATOM 674 O SER A 44 8.923 12.128 -1.146 1.00 0.00 O ATOM 675 CB SER A 44 11.197 10.220 -0.620 1.00 0.00 C ATOM 676 OG SER A 44 11.094 10.172 -2.034 1.00 0.00 O ATOM 0 H SER A 44 9.440 8.641 -1.270 1.00 0.00 H new ATOM 0 HA SER A 44 9.920 9.985 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.751 11.110 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.763 9.359 -0.264 1.00 0.00 H new ATOM 0 HG SER A 44 10.371 10.764 -2.330 1.00 0.00 H new ATOM 766 N VAL A 52 10.421 8.555 -8.125 1.00 0.00 N ATOM 767 CA VAL A 52 10.190 7.380 -7.288 1.00 0.00 C ATOM 768 C VAL A 52 8.737 6.916 -7.364 1.00 0.00 C ATOM 769 O VAL A 52 8.465 5.729 -7.549 1.00 0.00 O ATOM 770 CB VAL A 52 10.555 7.664 -5.814 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.407 6.409 -4.968 1.00 0.00 C ATOM 772 CG2 VAL A 52 11.966 8.222 -5.706 1.00 0.00 C ATOM 0 HA VAL A 52 10.834 6.589 -7.671 1.00 0.00 H new ATOM 0 HB VAL A 52 9.862 8.414 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.670 6.634 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.375 6.060 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.070 5.633 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.202 8.415 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.675 7.500 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.034 9.152 -6.270 1.00 0.00 H new ATOM 782 N GLY A 53 7.809 7.863 -7.240 1.00 0.00 N ATOM 783 CA GLY A 53 6.395 7.532 -7.294 1.00 0.00 C ATOM 784 C GLY A 53 6.006 6.893 -8.611 1.00 0.00 C ATOM 785 O GLY A 53 5.241 5.928 -8.644 1.00 0.00 O ATOM 0 H GLY A 53 8.012 8.853 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.151 6.853 -6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.806 8.437 -7.143 1.00 0.00 H new ATOM 789 N LYS A 54 6.558 7.424 -9.695 1.00 0.00 N ATOM 790 CA LYS A 54 6.301 6.903 -11.030 1.00 0.00 C ATOM 791 C LYS A 54 6.845 5.486 -11.162 1.00 0.00 C ATOM 792 O LYS A 54 6.160 4.594 -11.654 1.00 0.00 O ATOM 793 CB LYS A 54 6.951 7.808 -12.079 1.00 0.00 C ATOM 794 CG LYS A 54 6.676 7.390 -13.518 1.00 0.00 C ATOM 795 CD LYS A 54 7.502 8.206 -14.501 1.00 0.00 C ATOM 796 CE LYS A 54 7.247 9.696 -14.349 1.00 0.00 C ATOM 797 NZ LYS A 54 8.083 10.500 -15.277 1.00 0.00 N ATOM 0 H LYS A 54 7.192 8.223 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 54 5.223 6.881 -11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.595 8.828 -11.934 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.029 7.820 -11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.903 6.331 -13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.616 7.516 -13.739 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.561 8.000 -14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.264 7.898 -15.519 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.194 9.905 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.454 9.996 -13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.879 11.511 -15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.089 10.321 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.868 10.232 -16.259 1.00 0.00 H new ATOM 811 N LYS A 55 8.078 5.295 -10.699 1.00 0.00 N ATOM 812 CA LYS A 55 8.746 3.999 -10.770 1.00 0.00 C ATOM 813 C LYS A 55 7.941 2.928 -10.038 1.00 0.00 C ATOM 814 O LYS A 55 7.786 1.810 -10.529 1.00 0.00 O ATOM 815 CB LYS A 55 10.153 4.109 -10.168 1.00 0.00 C ATOM 816 CG LYS A 55 10.960 2.823 -10.221 1.00 0.00 C ATOM 817 CD LYS A 55 12.323 3.005 -9.572 1.00 0.00 C ATOM 818 CE LYS A 55 13.116 1.707 -9.546 1.00 0.00 C ATOM 819 NZ LYS A 55 13.460 1.223 -10.908 1.00 0.00 N ATOM 0 H LYS A 55 8.639 6.029 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 55 8.823 3.706 -11.817 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.701 4.890 -10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.067 4.427 -9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.415 2.027 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.086 2.512 -11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.886 3.764 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.194 3.372 -8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.032 1.856 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.538 0.942 -9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.084 0.394 -10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.590 0.957 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.947 1.978 -11.432 1.00 0.00 H new ATOM 833 N LEU A 56 7.423 3.285 -8.868 1.00 0.00 N ATOM 834 CA LEU A 56 6.629 2.364 -8.063 1.00 0.00 C ATOM 835 C LEU A 56 5.310 2.036 -8.751 1.00 0.00 C ATOM 836 O LEU A 56 4.983 0.867 -8.972 1.00 0.00 O ATOM 837 CB LEU A 56 6.339 2.973 -6.689 1.00 0.00 C ATOM 838 CG LEU A 56 7.561 3.259 -5.822 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.139 3.979 -4.550 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.295 1.969 -5.490 1.00 0.00 C ATOM 0 H LEU A 56 7.540 4.210 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 56 7.205 1.446 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.792 3.905 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.680 2.297 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 56 8.243 3.902 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.018 4.179 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.655 4.921 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.442 3.354 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.164 2.194 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.627 1.299 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.621 1.488 -6.412 1.00 0.00 H new ATOM 852 N LEU A 57 4.565 3.077 -9.099 1.00 0.00 N ATOM 853 CA LEU A 57 3.228 2.912 -9.648 1.00 0.00 C ATOM 854 C LEU A 57 3.273 2.224 -11.010 1.00 0.00 C ATOM 855 O LEU A 57 2.464 1.336 -11.287 1.00 0.00 O ATOM 856 CB LEU A 57 2.528 4.272 -9.747 1.00 0.00 C ATOM 857 CG LEU A 57 1.036 4.223 -10.097 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.287 3.330 -9.116 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.444 5.626 -10.092 1.00 0.00 C ATOM 0 H LEU A 57 4.866 4.047 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 57 2.657 2.273 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.643 4.790 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.040 4.871 -10.500 1.00 0.00 H new ATOM 0 HG LEU A 57 0.930 3.803 -11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.770 3.307 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.694 2.320 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.401 3.724 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.616 5.575 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.562 6.067 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.961 6.242 -10.828 1.00 0.00 H new ATOM 871 N LYS A 58 4.232 2.612 -11.847 1.00 0.00 N ATOM 872 CA LYS A 58 4.358 2.036 -13.179 1.00 0.00 C ATOM 873 C LYS A 58 4.633 0.538 -13.090 1.00 0.00 C ATOM 874 O LYS A 58 4.114 -0.243 -13.884 1.00 0.00 O ATOM 875 CB LYS A 58 5.485 2.713 -13.962 1.00 0.00 C ATOM 876 CG LYS A 58 5.425 2.461 -15.462 1.00 0.00 C ATOM 877 CD LYS A 58 6.754 1.962 -16.012 1.00 0.00 C ATOM 878 CE LYS A 58 7.024 0.520 -15.604 1.00 0.00 C ATOM 879 NZ LYS A 58 8.307 0.013 -16.154 1.00 0.00 N ATOM 0 H LYS A 58 4.931 3.321 -11.625 1.00 0.00 H new ATOM 0 HA LYS A 58 3.416 2.199 -13.702 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.447 3.787 -13.781 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.443 2.360 -13.581 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.647 1.728 -15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.144 3.382 -15.973 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.750 2.038 -17.099 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.560 2.600 -15.651 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.044 0.449 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.207 -0.113 -15.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.147 -0.903 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.681 0.693 -16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.993 -0.106 -15.381 1.00 0.00 H new ATOM 893 N ALA A 59 5.451 0.146 -12.116 1.00 0.00 N ATOM 894 CA ALA A 59 5.788 -1.259 -11.914 1.00 0.00 C ATOM 895 C ALA A 59 4.543 -2.078 -11.592 1.00 0.00 C ATOM 896 O ALA A 59 4.358 -3.179 -12.119 1.00 0.00 O ATOM 897 CB ALA A 59 6.817 -1.405 -10.804 1.00 0.00 C ATOM 0 H ALA A 59 5.893 0.784 -11.454 1.00 0.00 H new ATOM 0 HA ALA A 59 6.216 -1.640 -12.841 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.057 -2.459 -10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.721 -0.859 -11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.411 -1.001 -9.876 1.00 0.00 H new ATOM 903 N VAL A 60 3.690 -1.527 -10.736 1.00 0.00 N ATOM 904 CA VAL A 60 2.442 -2.180 -10.372 1.00 0.00 C ATOM 905 C VAL A 60 1.493 -2.231 -11.569 1.00 0.00 C ATOM 906 O VAL A 60 0.968 -3.292 -11.904 1.00 0.00 O ATOM 907 CB VAL A 60 1.753 -1.465 -9.188 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.432 -2.137 -8.847 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.667 -1.443 -7.970 1.00 0.00 C ATOM 0 H VAL A 60 3.842 -0.627 -10.281 1.00 0.00 H new ATOM 0 HA VAL A 60 2.684 -3.197 -10.063 1.00 0.00 H new ATOM 0 HB VAL A 60 1.548 -0.437 -9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.035 -1.617 -8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.229 -2.100 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.613 -3.176 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.164 -0.935 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.905 -2.465 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.587 -0.913 -8.215 1.00 0.00 H new ATOM 919 N VAL A 61 1.305 -1.087 -12.225 1.00 0.00 N ATOM 920 CA VAL A 61 0.435 -0.995 -13.398 1.00 0.00 C ATOM 921 C VAL A 61 0.899 -1.949 -14.502 1.00 0.00 C ATOM 922 O VAL A 61 0.086 -2.564 -15.198 1.00 0.00 O ATOM 923 CB VAL A 61 0.389 0.450 -13.955 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.448 0.525 -15.224 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.152 1.413 -12.907 1.00 0.00 C ATOM 0 H VAL A 61 1.746 -0.206 -11.963 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.567 -1.280 -13.076 1.00 0.00 H new ATOM 0 HB VAL A 61 1.409 0.742 -14.204 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.461 1.551 -15.591 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.016 -0.126 -15.984 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.467 0.204 -15.007 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.176 2.422 -13.318 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.161 1.113 -12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.493 1.395 -12.028 1.00 0.00 H new ATOM 935 N GLU A 62 2.210 -2.069 -14.647 1.00 0.00 N ATOM 936 CA GLU A 62 2.803 -2.939 -15.652 1.00 0.00 C ATOM 937 C GLU A 62 2.381 -4.387 -15.430 1.00 0.00 C ATOM 938 O GLU A 62 1.822 -5.025 -16.323 1.00 0.00 O ATOM 939 CB GLU A 62 4.325 -2.821 -15.607 1.00 0.00 C ATOM 940 CG GLU A 62 5.046 -3.626 -16.671 1.00 0.00 C ATOM 941 CD GLU A 62 6.544 -3.438 -16.598 1.00 0.00 C ATOM 942 OE1 GLU A 62 7.204 -4.180 -15.845 1.00 0.00 O ATOM 943 OE2 GLU A 62 7.066 -2.526 -17.275 1.00 0.00 O ATOM 0 H GLU A 62 2.890 -1.569 -14.075 1.00 0.00 H new ATOM 0 HA GLU A 62 2.448 -2.627 -16.634 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.599 -1.772 -15.714 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.674 -3.143 -14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.806 -4.683 -16.552 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.690 -3.327 -17.657 1.00 0.00 H new ATOM 950 N HIS A 63 2.624 -4.894 -14.226 1.00 0.00 N ATOM 951 CA HIS A 63 2.298 -6.280 -13.911 1.00 0.00 C ATOM 952 C HIS A 63 0.787 -6.468 -13.801 1.00 0.00 C ATOM 953 O HIS A 63 0.270 -7.563 -14.035 1.00 0.00 O ATOM 954 CB HIS A 63 2.988 -6.722 -12.619 1.00 0.00 C ATOM 955 CG HIS A 63 2.800 -8.179 -12.310 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.321 -9.190 -13.089 1.00 0.00 N ATOM 957 CD2 HIS A 63 2.129 -8.792 -11.305 1.00 0.00 C ATOM 958 CE1 HIS A 63 2.978 -10.358 -12.577 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.257 -10.145 -11.494 1.00 0.00 N ATOM 0 H HIS A 63 3.043 -4.370 -13.457 1.00 0.00 H new ATOM 0 HA HIS A 63 2.664 -6.906 -14.725 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.054 -6.509 -12.694 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.602 -6.130 -11.789 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.883 -9.057 -13.929 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.593 -8.306 -10.504 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.243 -11.325 -12.978 1.00 0.00 H new ATOM 968 N ALA A 64 0.086 -5.403 -13.438 1.00 0.00 N ATOM 969 CA ALA A 64 -1.368 -5.429 -13.398 1.00 0.00 C ATOM 970 C ALA A 64 -1.929 -5.743 -14.775 1.00 0.00 C ATOM 971 O ALA A 64 -2.631 -6.732 -14.952 1.00 0.00 O ATOM 972 CB ALA A 64 -1.917 -4.106 -12.886 1.00 0.00 C ATOM 0 H ALA A 64 0.501 -4.511 -13.167 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.679 -6.215 -12.709 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.006 -4.148 -12.864 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.541 -3.921 -11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.598 -3.300 -13.546 1.00 0.00 H new ATOM 978 N ARG A 65 -1.582 -4.918 -15.757 1.00 0.00 N ATOM 979 CA ARG A 65 -2.033 -5.133 -17.132 1.00 0.00 C ATOM 980 C ARG A 65 -1.568 -6.490 -17.644 1.00 0.00 C ATOM 981 O ARG A 65 -2.280 -7.159 -18.391 1.00 0.00 O ATOM 982 CB ARG A 65 -1.521 -4.022 -18.050 1.00 0.00 C ATOM 983 CG ARG A 65 -2.074 -2.651 -17.707 1.00 0.00 C ATOM 984 CD ARG A 65 -1.582 -1.588 -18.673 1.00 0.00 C ATOM 985 NE ARG A 65 -0.131 -1.393 -18.595 1.00 0.00 N ATOM 986 CZ ARG A 65 0.552 -0.589 -19.411 1.00 0.00 C ATOM 987 NH1 ARG A 65 -0.073 0.075 -20.374 1.00 0.00 N ATOM 988 NH2 ARG A 65 1.868 -0.454 -19.268 1.00 0.00 N ATOM 0 H ARG A 65 -0.992 -4.096 -15.630 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.123 -5.113 -17.136 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.433 -3.990 -17.997 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.783 -4.263 -19.080 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.163 -2.683 -17.726 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.780 -2.384 -16.692 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.854 -1.871 -19.690 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.085 -0.645 -18.459 1.00 0.00 H new ATOM 0 HE ARG A 65 0.385 -1.901 -17.876 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.081 -0.028 -20.493 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.454 0.689 -20.995 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.356 -0.966 -18.533 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.388 0.161 -19.893 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.374 -6.886 -17.219 1.00 0.00 N ATOM 1003 CA GLU A 66 0.204 -8.173 -17.582 1.00 0.00 C ATOM 1004 C GLU A 66 -0.739 -9.330 -17.232 1.00 0.00 C ATOM 1005 O GLU A 66 -0.948 -10.240 -18.032 1.00 0.00 O ATOM 1006 CB GLU A 66 1.531 -8.348 -16.848 1.00 0.00 C ATOM 1007 CG GLU A 66 2.281 -9.621 -17.198 1.00 0.00 C ATOM 1008 CD GLU A 66 3.314 -9.982 -16.152 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.067 -9.085 -15.717 1.00 0.00 O ATOM 1010 OE2 GLU A 66 3.351 -11.157 -15.734 1.00 0.00 O ATOM 0 H GLU A 66 0.221 -6.322 -16.612 1.00 0.00 H new ATOM 0 HA GLU A 66 0.364 -8.189 -18.660 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.170 -7.493 -17.069 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.342 -8.336 -15.775 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.571 -10.441 -17.304 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.772 -9.498 -18.163 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.306 -9.282 -16.034 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.166 -10.365 -15.546 1.00 0.00 C ATOM 1019 C ASN A 67 -3.641 -9.998 -15.656 1.00 0.00 C ATOM 1020 O ASN A 67 -4.503 -10.726 -15.163 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.832 -10.702 -14.088 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.546 -11.500 -13.926 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -0.406 -12.277 -12.986 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.402 -11.309 -14.828 1.00 0.00 N ATOM 0 H ASN A 67 -1.190 -8.509 -15.379 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.978 -11.237 -16.173 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.749 -9.776 -13.520 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.658 -11.268 -13.656 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.284 -11.816 -14.756 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.251 -10.655 -15.596 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.918 -8.874 -16.312 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.283 -8.355 -16.459 1.00 0.00 C ATOM 1033 C ASN A 68 -5.905 -8.096 -15.084 1.00 0.00 C ATOM 1034 O ASN A 68 -7.087 -8.349 -14.849 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.154 -9.320 -17.274 1.00 0.00 C ATOM 1036 CG ASN A 68 -7.370 -8.637 -17.889 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -7.894 -7.657 -17.357 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -7.829 -9.147 -19.019 1.00 0.00 N ATOM 0 H ASN A 68 -3.206 -8.295 -16.758 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.232 -7.411 -17.001 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.552 -9.765 -18.067 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.486 -10.135 -16.631 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.639 -8.728 -19.475 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.373 -9.959 -19.434 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.092 -7.587 -14.177 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.555 -7.214 -12.851 1.00 0.00 C ATOM 1047 C LEU A 69 -6.146 -5.815 -12.897 1.00 0.00 C ATOM 1048 O LEU A 69 -5.828 -5.030 -13.792 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.401 -7.259 -11.843 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.709 -8.615 -11.700 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.520 -8.505 -10.760 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.687 -9.668 -11.202 1.00 0.00 C ATOM 0 H LEU A 69 -4.098 -7.421 -14.336 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.318 -7.924 -12.532 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.656 -6.519 -12.136 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.782 -6.959 -10.867 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.348 -8.922 -12.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.038 -9.478 -10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.807 -7.783 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.861 -8.175 -9.779 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.174 -10.625 -11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.080 -9.369 -10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.509 -9.765 -11.911 1.00 0.00 H new ATOM 1064 N LYS A 70 -6.997 -5.500 -11.938 1.00 0.00 N ATOM 1065 CA LYS A 70 -7.646 -4.202 -11.898 1.00 0.00 C ATOM 1066 C LYS A 70 -7.169 -3.416 -10.692 1.00 0.00 C ATOM 1067 O LYS A 70 -7.067 -3.956 -9.595 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.164 -4.372 -11.877 1.00 0.00 C ATOM 1069 CG LYS A 70 -9.709 -4.956 -13.173 1.00 0.00 C ATOM 1070 CD LYS A 70 -9.326 -4.089 -14.364 1.00 0.00 C ATOM 1071 CE LYS A 70 -9.692 -4.741 -15.685 1.00 0.00 C ATOM 1072 NZ LYS A 70 -9.351 -3.869 -16.842 1.00 0.00 N ATOM 0 H LYS A 70 -7.255 -6.126 -11.175 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.380 -3.643 -12.795 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.441 -5.021 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.631 -3.404 -11.695 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.321 -5.965 -13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.794 -5.037 -13.112 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.827 -3.124 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.254 -3.895 -14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.168 -5.692 -15.779 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.759 -4.963 -15.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.615 -4.347 -17.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.870 -2.971 -16.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.329 -3.678 -16.844 1.00 0.00 H new ATOM 1086 N ILE A 71 -6.864 -2.145 -10.897 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.256 -1.343 -9.852 1.00 0.00 C ATOM 1088 C ILE A 71 -7.253 -0.390 -9.210 1.00 0.00 C ATOM 1089 O ILE A 71 -7.927 0.390 -9.889 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.051 -0.538 -10.389 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -3.981 -1.490 -10.931 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.470 0.361 -9.302 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.749 -0.785 -11.461 1.00 0.00 C ATOM 0 H ILE A 71 -7.027 -1.650 -11.774 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.909 -2.043 -9.092 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.397 0.100 -11.203 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.683 -2.176 -10.138 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.415 -2.093 -11.729 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.623 0.917 -9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.234 1.060 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.137 -0.251 -8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.036 -1.524 -11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.033 -0.119 -12.276 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.290 -0.204 -10.661 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.344 -0.479 -7.893 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.098 0.473 -7.095 1.00 0.00 C ATOM 1107 C ILE A 72 -7.220 0.947 -5.946 1.00 0.00 C ATOM 1108 O ILE A 72 -6.223 0.303 -5.625 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.413 -0.125 -6.538 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.137 -1.410 -5.755 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.402 -0.381 -7.669 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.364 -1.981 -5.079 1.00 0.00 C ATOM 0 H ILE A 72 -6.896 -1.215 -7.347 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.379 1.305 -7.740 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.856 0.597 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.725 -2.157 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.376 -1.210 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.321 -0.801 -7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.626 0.558 -8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.967 -1.083 -8.381 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.094 -2.891 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.765 -1.251 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.119 -2.213 -5.831 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.563 2.065 -5.335 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.724 2.617 -4.287 1.00 0.00 C ATOM 1126 C ALA A 73 -7.543 3.075 -3.094 1.00 0.00 C ATOM 1127 O ALA A 73 -8.607 3.672 -3.245 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.894 3.768 -4.832 1.00 0.00 C ATOM 0 H ALA A 73 -8.405 2.603 -5.542 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.058 1.826 -3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.269 4.174 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.261 3.408 -5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.556 4.548 -5.207 1.00 0.00 H new ATOM 1134 N SER A 74 -7.046 2.773 -1.907 1.00 0.00 N ATOM 1135 CA SER A 74 -7.625 3.297 -0.681 1.00 0.00 C ATOM 1136 C SER A 74 -6.732 4.400 -0.130 1.00 0.00 C ATOM 1137 O SER A 74 -7.151 5.194 0.712 1.00 0.00 O ATOM 1138 CB SER A 74 -7.798 2.183 0.353 1.00 0.00 C ATOM 1139 OG SER A 74 -8.632 1.155 -0.154 1.00 0.00 O ATOM 0 H SER A 74 -6.239 2.165 -1.766 1.00 0.00 H new ATOM 0 HA SER A 74 -8.610 3.709 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.824 1.771 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.230 2.592 1.266 1.00 0.00 H new ATOM 0 HG SER A 74 -8.244 0.797 -0.980 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.497 4.436 -0.613 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.563 5.485 -0.249 1.00 0.00 C ATOM 1147 C CYS A 75 -4.904 6.766 -1.000 1.00 0.00 C ATOM 1148 O CYS A 75 -5.037 6.756 -2.227 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.129 5.060 -0.570 1.00 0.00 C ATOM 1150 SG CYS A 75 -1.878 6.279 -0.101 1.00 0.00 S ATOM 0 H CYS A 75 -5.120 3.745 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.642 5.665 0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.916 4.121 -0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -3.049 4.866 -1.640 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.191 5.830 0.907 1.00 0.00 H new ATOM 1156 N SER A 76 -5.042 7.860 -0.264 1.00 0.00 N ATOM 1157 CA SER A 76 -5.394 9.147 -0.846 1.00 0.00 C ATOM 1158 C SER A 76 -4.322 9.620 -1.825 1.00 0.00 C ATOM 1159 O SER A 76 -4.631 10.133 -2.903 1.00 0.00 O ATOM 1160 CB SER A 76 -5.590 10.169 0.271 1.00 0.00 C ATOM 1161 OG SER A 76 -4.532 10.088 1.213 1.00 0.00 O ATOM 0 H SER A 76 -4.914 7.881 0.748 1.00 0.00 H new ATOM 0 HA SER A 76 -6.324 9.039 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.633 11.173 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.543 9.992 0.770 1.00 0.00 H new ATOM 0 HG SER A 76 -4.673 10.751 1.921 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.064 9.422 -1.445 1.00 0.00 N ATOM 1168 CA PHE A 77 -1.935 9.826 -2.273 1.00 0.00 C ATOM 1169 C PHE A 77 -1.943 9.075 -3.603 1.00 0.00 C ATOM 1170 O PHE A 77 -1.911 9.688 -4.671 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.619 9.578 -1.527 1.00 0.00 C ATOM 1172 CG PHE A 77 0.602 10.027 -2.284 1.00 0.00 C ATOM 1173 CD1 PHE A 77 0.970 11.364 -2.302 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.381 9.112 -2.976 1.00 0.00 C ATOM 1175 CE1 PHE A 77 2.092 11.777 -2.997 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.502 9.520 -3.671 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.858 10.854 -3.682 1.00 0.00 C ATOM 0 H PHE A 77 -2.801 8.982 -0.564 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.025 10.892 -2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.652 10.096 -0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.530 8.513 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.375 12.090 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.107 8.067 -2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.369 12.821 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.100 8.797 -4.205 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.734 11.175 -4.225 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.011 7.752 -3.530 1.00 0.00 N ATOM 1188 CA ALA A 78 -2.003 6.915 -4.724 1.00 0.00 C ATOM 1189 C ALA A 78 -3.211 7.202 -5.610 1.00 0.00 C ATOM 1190 O ALA A 78 -3.089 7.260 -6.831 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.974 5.448 -4.337 1.00 0.00 C ATOM 0 H ALA A 78 -2.073 7.234 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.104 7.151 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.968 4.834 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.077 5.243 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.856 5.211 -3.742 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.370 7.392 -4.984 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.605 7.657 -5.716 1.00 0.00 C ATOM 1199 C LYS A 79 -5.475 8.917 -6.565 1.00 0.00 C ATOM 1200 O LYS A 79 -5.743 8.897 -7.763 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.788 7.783 -4.749 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.109 8.100 -5.435 1.00 0.00 C ATOM 1203 CD LYS A 79 -9.288 7.905 -4.498 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.349 6.473 -3.995 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.573 6.204 -3.201 1.00 0.00 N ATOM 0 H LYS A 79 -4.479 7.367 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.790 6.815 -6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.892 6.851 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.570 8.565 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.095 9.129 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.228 7.459 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.203 8.588 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.214 8.153 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.313 5.791 -4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.470 6.268 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.568 5.215 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.597 6.835 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.413 6.373 -3.790 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.026 10.004 -5.950 1.00 0.00 N ATOM 1220 CA HIS A 80 -4.894 11.273 -6.660 1.00 0.00 C ATOM 1221 C HIS A 80 -3.775 11.210 -7.695 1.00 0.00 C ATOM 1222 O HIS A 80 -3.803 11.926 -8.696 1.00 0.00 O ATOM 1223 CB HIS A 80 -4.654 12.424 -5.681 1.00 0.00 C ATOM 1224 CG HIS A 80 -5.840 12.724 -4.818 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -5.795 12.734 -3.440 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -7.117 13.023 -5.152 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -6.992 13.021 -2.968 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -7.810 13.202 -3.983 1.00 0.00 N ATOM 0 H HIS A 80 -4.749 10.035 -4.969 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.831 11.458 -7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.803 12.180 -5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.386 13.319 -6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.515 13.105 -6.152 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.257 13.095 -1.924 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.800 13.437 -3.911 1.00 0.00 H new ATOM 1237 N MET A 81 -2.801 10.344 -7.458 1.00 0.00 N ATOM 1238 CA MET A 81 -1.712 10.144 -8.403 1.00 0.00 C ATOM 1239 C MET A 81 -2.220 9.394 -9.634 1.00 0.00 C ATOM 1240 O MET A 81 -1.826 9.689 -10.763 1.00 0.00 O ATOM 1241 CB MET A 81 -0.564 9.389 -7.726 1.00 0.00 C ATOM 1242 CG MET A 81 0.645 9.159 -8.619 1.00 0.00 C ATOM 1243 SD MET A 81 2.112 8.652 -7.696 1.00 0.00 S ATOM 1244 CE MET A 81 1.492 7.235 -6.793 1.00 0.00 C ATOM 0 H MET A 81 -2.742 9.768 -6.618 1.00 0.00 H new ATOM 0 HA MET A 81 -1.333 11.112 -8.730 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.249 9.946 -6.844 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.934 8.424 -7.379 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.405 8.395 -9.358 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.865 10.075 -9.167 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.423 7.481 -5.733 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.504 6.968 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.171 6.393 -6.927 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.119 8.444 -9.405 1.00 0.00 N ATOM 1255 CA LEU A 82 -3.761 7.711 -10.489 1.00 0.00 C ATOM 1256 C LEU A 82 -4.712 8.618 -11.263 1.00 0.00 C ATOM 1257 O LEU A 82 -4.788 8.552 -12.488 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.525 6.504 -9.936 1.00 0.00 C ATOM 1259 CG LEU A 82 -3.653 5.364 -9.403 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -4.494 4.368 -8.623 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -2.941 4.662 -10.550 1.00 0.00 C ATOM 0 H LEU A 82 -3.421 8.162 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.985 7.359 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.178 6.845 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.167 6.110 -10.723 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.906 5.789 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.857 3.565 -8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.968 4.873 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.261 3.950 -9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.325 3.854 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.679 4.252 -11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.309 5.376 -11.077 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.432 9.468 -10.537 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.362 10.408 -11.154 1.00 0.00 C ATOM 1275 C GLU A 83 -5.620 11.475 -11.953 1.00 0.00 C ATOM 1276 O GLU A 83 -6.155 12.019 -12.917 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.231 11.092 -10.095 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.157 10.153 -9.344 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.086 10.896 -8.406 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -10.181 11.312 -8.853 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -8.723 11.092 -7.229 1.00 0.00 O ATOM 0 H GLU A 83 -5.389 9.525 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.997 9.835 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.581 11.593 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.830 11.865 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.747 9.579 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.563 9.438 -8.774 1.00 0.00 H new ATOM 1288 N LYS A 84 -4.391 11.776 -11.541 1.00 0.00 N ATOM 1289 CA LYS A 84 -3.617 12.842 -12.166 1.00 0.00 C ATOM 1290 C LYS A 84 -3.307 12.515 -13.622 1.00 0.00 C ATOM 1291 O LYS A 84 -3.700 13.252 -14.526 1.00 0.00 O ATOM 1292 CB LYS A 84 -2.316 13.094 -11.382 1.00 0.00 C ATOM 1293 CG LYS A 84 -1.510 14.308 -11.857 1.00 0.00 C ATOM 1294 CD LYS A 84 -0.711 14.013 -13.124 1.00 0.00 C ATOM 1295 CE LYS A 84 -0.973 15.054 -14.203 1.00 0.00 C ATOM 1296 NZ LYS A 84 -0.340 14.695 -15.503 1.00 0.00 N ATOM 0 H LYS A 84 -3.912 11.297 -10.779 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.218 13.751 -12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.562 13.227 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.687 12.207 -11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.188 15.141 -12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.829 14.622 -11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.353 13.992 -12.888 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.974 13.024 -13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.048 15.165 -14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.593 16.021 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.546 15.434 -16.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.689 14.615 -15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.720 13.786 -15.835 1.00 0.00 H new ATOM 1310 N GLU A 85 -2.599 11.423 -13.849 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.118 11.120 -15.182 1.00 0.00 C ATOM 1312 C GLU A 85 -3.189 10.398 -15.985 1.00 0.00 C ATOM 1313 O GLU A 85 -3.822 9.460 -15.499 1.00 0.00 O ATOM 1314 CB GLU A 85 -0.836 10.294 -15.125 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.063 10.295 -16.435 1.00 0.00 C ATOM 1316 CD GLU A 85 0.371 11.689 -16.849 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -0.504 12.506 -17.217 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.584 11.980 -16.805 1.00 0.00 O ATOM 0 H GLU A 85 -2.347 10.739 -13.135 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.889 12.061 -15.683 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.196 10.683 -14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.085 9.267 -14.858 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.816 9.658 -16.336 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.683 9.862 -17.220 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.372 10.845 -17.219 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.447 10.357 -18.075 1.00 0.00 C ATOM 1327 C ASP A 86 -4.333 8.855 -18.329 1.00 0.00 C ATOM 1328 O ASP A 86 -5.337 8.145 -18.357 1.00 0.00 O ATOM 1329 CB ASP A 86 -4.438 11.109 -19.406 1.00 0.00 C ATOM 1330 CG ASP A 86 -5.677 10.833 -20.234 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -6.694 11.531 -20.030 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -5.640 9.927 -21.091 1.00 0.00 O ATOM 0 H ASP A 86 -2.782 11.554 -17.655 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.389 10.537 -17.557 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.363 12.179 -19.215 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.553 10.824 -19.975 1.00 0.00 H new ATOM 1337 N SER A 87 -3.106 8.376 -18.478 1.00 0.00 N ATOM 1338 CA SER A 87 -2.861 6.983 -18.827 1.00 0.00 C ATOM 1339 C SER A 87 -3.252 6.024 -17.700 1.00 0.00 C ATOM 1340 O SER A 87 -3.628 4.874 -17.952 1.00 0.00 O ATOM 1341 CB SER A 87 -1.391 6.800 -19.194 1.00 0.00 C ATOM 1342 OG SER A 87 -0.549 7.456 -18.261 1.00 0.00 O ATOM 0 H SER A 87 -2.260 8.935 -18.362 1.00 0.00 H new ATOM 0 HA SER A 87 -3.489 6.739 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.149 5.738 -19.223 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.210 7.196 -20.193 1.00 0.00 H new ATOM 0 HG SER A 87 0.388 7.323 -18.516 1.00 0.00 H new ATOM 1348 N TYR A 88 -3.188 6.499 -16.459 1.00 0.00 N ATOM 1349 CA TYR A 88 -3.467 5.649 -15.308 1.00 0.00 C ATOM 1350 C TYR A 88 -4.963 5.424 -15.129 1.00 0.00 C ATOM 1351 O TYR A 88 -5.377 4.527 -14.395 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.866 6.234 -14.026 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.354 6.166 -13.970 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.679 4.979 -14.247 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -0.599 7.283 -13.637 1.00 0.00 C ATOM 1356 CE1 TYR A 88 0.701 4.915 -14.193 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.780 7.223 -13.582 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.425 6.040 -13.860 1.00 0.00 C ATOM 1359 OH TYR A 88 2.799 5.978 -13.803 1.00 0.00 O ATOM 0 H TYR A 88 -2.947 7.462 -16.227 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.997 4.685 -15.502 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.177 7.275 -13.933 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.276 5.701 -13.168 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.242 4.095 -14.508 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.099 8.215 -13.417 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.210 3.988 -14.411 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.350 8.102 -13.321 1.00 0.00 H new ATOM 0 HH TYR A 88 3.156 6.856 -13.555 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.773 6.211 -15.830 1.00 0.00 N ATOM 1370 CA GLN A 89 -7.224 6.090 -15.729 1.00 0.00 C ATOM 1371 C GLN A 89 -7.731 4.892 -16.533 1.00 0.00 C ATOM 1372 O GLN A 89 -8.935 4.641 -16.604 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.908 7.374 -16.201 1.00 0.00 C ATOM 1374 CG GLN A 89 -7.504 8.611 -15.413 1.00 0.00 C ATOM 1375 CD GLN A 89 -8.346 9.820 -15.767 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -9.373 10.081 -15.142 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -7.924 10.556 -16.780 1.00 0.00 N ATOM 0 H GLN A 89 -5.452 6.936 -16.471 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.474 5.929 -14.680 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.674 7.533 -17.254 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.988 7.246 -16.130 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.597 8.406 -14.347 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.454 8.834 -15.604 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.066 10.304 -17.271 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.456 11.376 -17.071 1.00 0.00 H new ATOM 1386 N ASP A 90 -6.808 4.162 -17.145 1.00 0.00 N ATOM 1387 CA ASP A 90 -7.148 2.936 -17.856 1.00 0.00 C ATOM 1388 C ASP A 90 -7.284 1.782 -16.875 1.00 0.00 C ATOM 1389 O ASP A 90 -8.272 1.047 -16.890 1.00 0.00 O ATOM 1390 CB ASP A 90 -6.079 2.597 -18.897 1.00 0.00 C ATOM 1391 CG ASP A 90 -6.371 1.301 -19.633 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -7.130 1.336 -20.623 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -5.842 0.244 -19.232 1.00 0.00 O ATOM 0 H ASP A 90 -5.816 4.398 -17.163 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.098 3.093 -18.366 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.008 3.412 -19.618 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.109 2.521 -18.405 1.00 0.00 H new ATOM 1398 N VAL A 91 -6.288 1.642 -16.010 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.262 0.555 -15.043 1.00 0.00 C ATOM 1400 C VAL A 91 -7.075 0.903 -13.806 1.00 0.00 C ATOM 1401 O VAL A 91 -7.481 0.020 -13.050 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.821 0.203 -14.624 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.054 -0.386 -15.796 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -4.100 1.426 -14.077 1.00 0.00 C ATOM 0 H VAL A 91 -5.486 2.270 -15.959 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.706 -0.313 -15.531 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.872 -0.544 -13.832 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.039 -0.628 -15.482 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.554 -1.292 -16.139 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.019 0.339 -16.609 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.085 1.151 -13.788 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.062 2.199 -14.844 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.635 1.805 -13.206 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.304 2.190 -13.603 1.00 0.00 N ATOM 1415 CA TYR A 92 -8.091 2.648 -12.473 1.00 0.00 C ATOM 1416 C TYR A 92 -9.554 2.756 -12.874 1.00 0.00 C ATOM 1417 O TYR A 92 -9.935 3.616 -13.672 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.571 3.995 -11.971 1.00 0.00 C ATOM 1419 CG TYR A 92 -8.147 4.411 -10.636 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -7.881 3.672 -9.490 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.953 5.535 -10.522 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.404 4.041 -8.267 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -9.480 5.912 -9.299 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.201 5.159 -8.175 1.00 0.00 C ATOM 1425 OH TYR A 92 -9.717 5.523 -6.955 1.00 0.00 O ATOM 0 H TYR A 92 -6.956 2.935 -14.206 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.001 1.925 -11.662 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.485 3.947 -11.889 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.801 4.762 -12.711 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.255 2.795 -9.557 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.172 6.124 -11.400 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.189 3.455 -7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.105 6.789 -9.224 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.257 6.334 -7.057 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.366 1.864 -12.327 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.782 1.794 -12.673 1.00 0.00 C ATOM 1437 C LEU A 93 -12.546 2.984 -12.106 1.00 0.00 C ATOM 1438 O LEU A 93 -13.396 3.567 -12.779 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.408 0.491 -12.158 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.908 -0.803 -12.814 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -10.491 -1.130 -12.373 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -12.842 -1.958 -12.488 1.00 0.00 C ATOM 0 H LEU A 93 -10.068 1.174 -11.637 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.852 1.817 -13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.227 0.424 -11.085 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.488 0.551 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.899 -0.651 -13.893 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.164 -2.052 -12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.824 -0.316 -12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.467 -1.257 -11.291 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.473 -2.868 -12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.882 -2.100 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -13.841 -1.734 -12.861 1.00 0.00 H new