USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 98:sc= 0.446 USER MOD Single : A 14 LYS NZ :NH3+ -153:sc=-0.00502 (180deg=-0.273) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.13 F(o=-1.6,f=-1.1) USER MOD Single : A 20 GLN : amide:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -140:sc= -0.697 USER MOD Single : A 30 GLN :FLIP amide:sc= -5.1! C(o=-6.7!,f=-5.1!) USER MOD Single : A 33 TYR OH : rot 157:sc= -0.0317 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.21 K(o=-2.2,f=-5.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.0785 K(o=0.078,f=-2!) USER MOD Single : A 47 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.28) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= 0.117 (180deg=-0.0481) USER MOD Single : A 60 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.46) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 137:sc= 0.0165 (180deg=-0.319) USER MOD Single : A 71 SER OG : rot -150:sc= -0.207 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.591 USER MOD Single : A 75 GLN : amide:sc= -0.0495 K(o=-0.05,f=-2.2!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0573 F(o=-1.1,f=-0.057) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.99! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.531 17.295 -9.177 1.00 0.00 N ATOM 67 CA LEU A 8 -9.425 16.360 -9.002 1.00 0.00 C ATOM 68 C LEU A 8 -9.316 15.912 -7.549 1.00 0.00 C ATOM 69 O LEU A 8 -9.076 14.738 -7.267 1.00 0.00 O ATOM 70 CB LEU A 8 -8.111 17.004 -9.449 1.00 0.00 C ATOM 71 CG LEU A 8 -7.052 16.052 -10.005 1.00 0.00 C ATOM 72 CD1 LEU A 8 -6.911 14.830 -9.111 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.400 15.638 -11.427 1.00 0.00 C ATOM 0 HA LEU A 8 -9.621 15.484 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.336 17.750 -10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.683 17.536 -8.599 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.096 16.575 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.153 14.164 -9.523 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.614 15.144 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.865 14.306 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.635 14.960 -11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.366 15.134 -11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.448 16.523 -12.062 1.00 0.00 H new ATOM 85 N ALA A 9 -9.496 16.854 -6.629 1.00 0.00 N ATOM 86 CA ALA A 9 -9.423 16.555 -5.204 1.00 0.00 C ATOM 87 C ALA A 9 -10.637 15.753 -4.748 1.00 0.00 C ATOM 88 O ALA A 9 -10.500 14.652 -4.215 1.00 0.00 O ATOM 89 CB ALA A 9 -9.305 17.841 -4.400 1.00 0.00 C ATOM 0 H ALA A 9 -9.694 17.831 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.534 15.948 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.251 17.602 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.403 18.375 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.176 18.469 -4.587 1.00 0.00 H new ATOM 95 N GLU A 10 -11.824 16.312 -4.961 1.00 0.00 N ATOM 96 CA GLU A 10 -13.062 15.648 -4.569 1.00 0.00 C ATOM 97 C GLU A 10 -12.949 14.137 -4.751 1.00 0.00 C ATOM 98 O GLU A 10 -13.300 13.365 -3.858 1.00 0.00 O ATOM 99 CB GLU A 10 -14.236 16.185 -5.389 1.00 0.00 C ATOM 100 CG GLU A 10 -14.456 17.680 -5.231 1.00 0.00 C ATOM 101 CD GLU A 10 -14.400 18.128 -3.783 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.105 17.524 -2.947 1.00 0.00 O ATOM 103 OE2 GLU A 10 -13.651 19.082 -3.486 1.00 0.00 O ATOM 0 H GLU A 10 -11.955 17.222 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.239 15.858 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.065 15.961 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.144 15.660 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.700 18.217 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.425 17.948 -5.653 1.00 0.00 H new ATOM 110 N LEU A 11 -12.458 13.722 -5.913 1.00 0.00 N ATOM 111 CA LEU A 11 -12.300 12.303 -6.214 1.00 0.00 C ATOM 112 C LEU A 11 -11.268 11.663 -5.291 1.00 0.00 C ATOM 113 O LEU A 11 -11.528 10.631 -4.672 1.00 0.00 O ATOM 114 CB LEU A 11 -11.882 12.114 -7.674 1.00 0.00 C ATOM 115 CG LEU A 11 -12.935 12.469 -8.724 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.324 12.081 -8.241 1.00 0.00 C ATOM 117 CD2 LEU A 11 -12.879 13.953 -9.055 1.00 0.00 C ATOM 0 H LEU A 11 -12.162 14.347 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.260 11.813 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.995 12.720 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.592 11.073 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.718 11.906 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.060 12.342 -9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.358 11.007 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.551 12.616 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.635 14.188 -9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.069 14.534 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.892 14.202 -9.446 1.00 0.00 H new ATOM 129 N PHE A 12 -10.096 12.283 -5.203 1.00 0.00 N ATOM 130 CA PHE A 12 -9.024 11.775 -4.354 1.00 0.00 C ATOM 131 C PHE A 12 -9.565 11.346 -2.993 1.00 0.00 C ATOM 132 O PHE A 12 -8.973 10.507 -2.315 1.00 0.00 O ATOM 133 CB PHE A 12 -7.940 12.839 -4.173 1.00 0.00 C ATOM 134 CG PHE A 12 -6.829 12.413 -3.255 1.00 0.00 C ATOM 135 CD1 PHE A 12 -6.907 12.655 -1.893 1.00 0.00 C ATOM 136 CD2 PHE A 12 -5.708 11.771 -3.755 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.886 12.265 -1.047 1.00 0.00 C ATOM 138 CE2 PHE A 12 -4.684 11.378 -2.914 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.774 11.624 -1.558 1.00 0.00 C ATOM 0 H PHE A 12 -9.864 13.138 -5.709 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.589 10.903 -4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.520 13.088 -5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.396 13.748 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.775 13.154 -1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.633 11.575 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.957 12.461 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.815 10.879 -3.317 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.976 11.316 -0.898 1.00 0.00 H new ATOM 149 N GLU A 13 -10.692 11.931 -2.600 1.00 0.00 N ATOM 150 CA GLU A 13 -11.312 11.611 -1.320 1.00 0.00 C ATOM 151 C GLU A 13 -12.181 10.361 -1.433 1.00 0.00 C ATOM 152 O GLU A 13 -12.069 9.439 -0.625 1.00 0.00 O ATOM 153 CB GLU A 13 -12.156 12.789 -0.828 1.00 0.00 C ATOM 154 CG GLU A 13 -11.350 14.052 -0.576 1.00 0.00 C ATOM 155 CD GLU A 13 -10.713 14.073 0.800 1.00 0.00 C ATOM 156 OE1 GLU A 13 -9.589 13.548 0.942 1.00 0.00 O ATOM 157 OE2 GLU A 13 -11.339 14.616 1.734 1.00 0.00 O ATOM 0 H GLU A 13 -11.194 12.629 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.517 11.416 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.930 13.003 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.663 12.502 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.572 14.139 -1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.999 14.921 -0.685 1.00 0.00 H new ATOM 164 N LYS A 14 -13.046 10.339 -2.440 1.00 0.00 N ATOM 165 CA LYS A 14 -13.934 9.204 -2.662 1.00 0.00 C ATOM 166 C LYS A 14 -13.137 7.945 -2.989 1.00 0.00 C ATOM 167 O LYS A 14 -13.350 6.891 -2.391 1.00 0.00 O ATOM 168 CB LYS A 14 -14.914 9.510 -3.797 1.00 0.00 C ATOM 169 CG LYS A 14 -16.120 10.320 -3.357 1.00 0.00 C ATOM 170 CD LYS A 14 -16.794 11.003 -4.536 1.00 0.00 C ATOM 171 CE LYS A 14 -16.191 12.373 -4.806 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.596 13.369 -3.775 1.00 0.00 N ATOM 0 H LYS A 14 -13.152 11.095 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.495 9.029 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.389 10.053 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.257 8.572 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.835 9.667 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.810 11.070 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.695 10.379 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.861 11.107 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.104 12.294 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.505 12.721 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.578 14.323 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.558 13.153 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.935 13.327 -2.973 1.00 0.00 H new ATOM 186 N ALA A 15 -12.218 8.063 -3.942 1.00 0.00 N ATOM 187 CA ALA A 15 -11.387 6.936 -4.346 1.00 0.00 C ATOM 188 C ALA A 15 -10.766 6.250 -3.134 1.00 0.00 C ATOM 189 O ALA A 15 -10.780 5.024 -3.028 1.00 0.00 O ATOM 190 CB ALA A 15 -10.302 7.398 -5.307 1.00 0.00 C ATOM 0 H ALA A 15 -12.030 8.928 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.023 6.211 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.689 6.546 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.763 7.836 -6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.676 8.144 -4.817 1.00 0.00 H new ATOM 196 N ALA A 16 -10.221 7.048 -2.222 1.00 0.00 N ATOM 197 CA ALA A 16 -9.596 6.518 -1.017 1.00 0.00 C ATOM 198 C ALA A 16 -10.519 5.532 -0.309 1.00 0.00 C ATOM 199 O ALA A 16 -10.089 4.461 0.118 1.00 0.00 O ATOM 200 CB ALA A 16 -9.212 7.652 -0.078 1.00 0.00 C ATOM 0 H ALA A 16 -10.200 8.065 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.693 5.984 -1.311 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.746 7.241 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.509 8.317 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.105 8.211 0.201 1.00 0.00 H new ATOM 206 N ALA A 17 -11.790 5.901 -0.187 1.00 0.00 N ATOM 207 CA ALA A 17 -12.774 5.048 0.469 1.00 0.00 C ATOM 208 C ALA A 17 -12.985 3.754 -0.310 1.00 0.00 C ATOM 209 O ALA A 17 -13.381 2.735 0.255 1.00 0.00 O ATOM 210 CB ALA A 17 -14.092 5.790 0.630 1.00 0.00 C ATOM 0 H ALA A 17 -12.163 6.785 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.393 4.789 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.817 5.141 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.935 6.683 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.469 6.079 -0.351 1.00 0.00 H new ATOM 216 N HIS A 18 -12.719 3.803 -1.612 1.00 0.00 N ATOM 217 CA HIS A 18 -12.880 2.633 -2.469 1.00 0.00 C ATOM 218 C HIS A 18 -11.684 1.695 -2.339 1.00 0.00 C ATOM 219 O HIS A 18 -11.806 0.486 -2.536 1.00 0.00 O ATOM 220 CB HIS A 18 -13.051 3.063 -3.926 1.00 0.00 C ATOM 221 CG HIS A 18 -13.896 2.125 -4.732 1.00 0.00 C ATOM 222 ND1 HIS A 18 -13.711 1.607 -5.969 1.00 0.00 N flip ATOM 223 CD2 HIS A 18 -15.095 1.615 -4.280 1.00 0.00 C flip ATOM 224 CE1 HIS A 18 -14.789 0.800 -6.238 1.00 0.00 C flip ATOM 225 NE2 HIS A 18 -15.609 0.822 -5.203 1.00 0.00 N flip ATOM 0 H HIS A 18 -12.392 4.639 -2.096 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.774 2.098 -2.148 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.499 4.056 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.068 3.144 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.544 1.830 -3.321 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.941 0.239 -7.148 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -16.490 0.313 -5.129 1.00 0.00 H new ATOM 234 N LEU A 19 -10.529 2.261 -2.007 1.00 0.00 N ATOM 235 CA LEU A 19 -9.309 1.475 -1.852 1.00 0.00 C ATOM 236 C LEU A 19 -9.552 0.265 -0.955 1.00 0.00 C ATOM 237 O LEU A 19 -9.150 -0.851 -1.281 1.00 0.00 O ATOM 238 CB LEU A 19 -8.192 2.341 -1.268 1.00 0.00 C ATOM 239 CG LEU A 19 -6.767 1.962 -1.673 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.766 2.946 -1.088 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.446 0.543 -1.229 1.00 0.00 C ATOM 0 H LEU A 19 -10.411 3.260 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.007 1.119 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.369 3.375 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.261 2.304 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.695 2.006 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.758 2.660 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.983 3.948 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.839 2.936 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.428 0.290 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.536 0.472 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.143 -0.151 -1.698 1.00 0.00 H new ATOM 253 N GLN A 20 -10.212 0.496 0.175 1.00 0.00 N ATOM 254 CA GLN A 20 -10.510 -0.576 1.118 1.00 0.00 C ATOM 255 C GLN A 20 -11.376 -1.649 0.467 1.00 0.00 C ATOM 256 O GLN A 20 -11.399 -2.797 0.911 1.00 0.00 O ATOM 257 CB GLN A 20 -11.215 -0.016 2.354 1.00 0.00 C ATOM 258 CG GLN A 20 -10.381 0.996 3.124 1.00 0.00 C ATOM 259 CD GLN A 20 -9.500 0.347 4.174 1.00 0.00 C ATOM 260 OE1 GLN A 20 -9.811 0.373 5.365 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.392 -0.240 3.736 1.00 0.00 N ATOM 0 H GLN A 20 -10.550 1.415 0.460 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.567 -1.031 1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.149 0.454 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.476 -0.840 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.757 1.554 2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.043 1.716 3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.173 -0.238 2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.760 -0.693 4.396 1.00 0.00 H new ATOM 270 N GLY A 21 -12.088 -1.268 -0.589 1.00 0.00 N ATOM 271 CA GLY A 21 -12.947 -2.209 -1.284 1.00 0.00 C ATOM 272 C GLY A 21 -12.241 -2.896 -2.437 1.00 0.00 C ATOM 273 O GLY A 21 -12.755 -3.862 -3.001 1.00 0.00 O ATOM 0 H GLY A 21 -12.085 -0.324 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.302 -2.961 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.826 -1.685 -1.660 1.00 0.00 H new ATOM 277 N LEU A 22 -11.062 -2.395 -2.789 1.00 0.00 N ATOM 278 CA LEU A 22 -10.285 -2.965 -3.884 1.00 0.00 C ATOM 279 C LEU A 22 -9.014 -3.627 -3.362 1.00 0.00 C ATOM 280 O LEU A 22 -8.077 -3.879 -4.121 1.00 0.00 O ATOM 281 CB LEU A 22 -9.929 -1.881 -4.902 1.00 0.00 C ATOM 282 CG LEU A 22 -11.078 -0.975 -5.347 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.565 0.125 -6.265 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.160 -1.789 -6.041 1.00 0.00 C ATOM 0 H LEU A 22 -10.623 -1.595 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.895 -3.726 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.143 -1.256 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.510 -2.363 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.512 -0.509 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.396 0.760 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.826 0.726 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.105 -0.322 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.970 -1.128 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.739 -2.282 -6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.548 -2.540 -5.353 1.00 0.00 H new ATOM 296 N ILE A 23 -8.989 -3.907 -2.064 1.00 0.00 N ATOM 297 CA ILE A 23 -7.833 -4.542 -1.442 1.00 0.00 C ATOM 298 C ILE A 23 -7.659 -5.973 -1.940 1.00 0.00 C ATOM 299 O ILE A 23 -6.536 -6.447 -2.113 1.00 0.00 O ATOM 300 CB ILE A 23 -7.957 -4.557 0.093 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.310 -3.161 0.611 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.664 -5.050 0.724 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.230 -2.133 0.362 1.00 0.00 C ATOM 0 H ILE A 23 -9.755 -3.704 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.960 -3.953 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.758 -5.241 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.233 -2.829 0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.506 -3.218 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.767 -5.055 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.451 -6.061 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.845 -4.388 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.549 -1.168 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.311 -2.442 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.050 -2.047 -0.710 1.00 0.00 H new ATOM 315 N GLN A 24 -8.776 -6.655 -2.169 1.00 0.00 N ATOM 316 CA GLN A 24 -8.746 -8.031 -2.649 1.00 0.00 C ATOM 317 C GLN A 24 -8.260 -8.094 -4.093 1.00 0.00 C ATOM 318 O GLN A 24 -7.753 -9.122 -4.545 1.00 0.00 O ATOM 319 CB GLN A 24 -10.135 -8.663 -2.538 1.00 0.00 C ATOM 320 CG GLN A 24 -10.769 -8.501 -1.166 1.00 0.00 C ATOM 321 CD GLN A 24 -12.203 -8.990 -1.125 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.511 -9.995 -0.485 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.091 -8.279 -1.810 1.00 0.00 N ATOM 0 H GLN A 24 -9.713 -6.277 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.049 -8.591 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.789 -8.216 -3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.062 -9.725 -2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.181 -9.050 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.739 -7.450 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.793 -7.452 -2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.072 -8.560 -1.819 1.00 0.00 H new ATOM 332 N VAL A 25 -8.417 -6.988 -4.814 1.00 0.00 N ATOM 333 CA VAL A 25 -7.993 -6.917 -6.207 1.00 0.00 C ATOM 334 C VAL A 25 -6.668 -6.174 -6.342 1.00 0.00 C ATOM 335 O VAL A 25 -6.015 -6.232 -7.383 1.00 0.00 O ATOM 336 CB VAL A 25 -9.052 -6.219 -7.081 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.343 -7.023 -7.101 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.303 -4.804 -6.583 1.00 0.00 C ATOM 0 H VAL A 25 -8.835 -6.129 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.867 -7.943 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.674 -6.159 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.079 -6.514 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.147 -8.015 -7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.729 -7.117 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.054 -4.325 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.660 -4.838 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.375 -4.233 -6.626 1.00 0.00 H new ATOM 348 N ALA A 26 -6.277 -5.477 -5.280 1.00 0.00 N ATOM 349 CA ALA A 26 -5.029 -4.724 -5.278 1.00 0.00 C ATOM 350 C ALA A 26 -3.874 -5.577 -4.765 1.00 0.00 C ATOM 351 O ALA A 26 -4.024 -6.325 -3.799 1.00 0.00 O ATOM 352 CB ALA A 26 -5.173 -3.465 -4.436 1.00 0.00 C ATOM 0 H ALA A 26 -6.807 -5.418 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.805 -4.437 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.233 -2.913 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.965 -2.840 -4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.424 -3.739 -3.411 1.00 0.00 H new ATOM 358 N SER A 27 -2.722 -5.460 -5.418 1.00 0.00 N ATOM 359 CA SER A 27 -1.543 -6.224 -5.030 1.00 0.00 C ATOM 360 C SER A 27 -0.716 -5.462 -3.999 1.00 0.00 C ATOM 361 O SER A 27 -0.697 -4.231 -3.990 1.00 0.00 O ATOM 362 CB SER A 27 -0.685 -6.537 -6.257 1.00 0.00 C ATOM 363 OG SER A 27 0.017 -5.387 -6.696 1.00 0.00 O ATOM 0 H SER A 27 -2.581 -4.843 -6.218 1.00 0.00 H new ATOM 0 HA SER A 27 -1.879 -7.159 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.024 -7.329 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.318 -6.909 -7.062 1.00 0.00 H new ATOM 0 HG SER A 27 0.016 -5.357 -7.676 1.00 0.00 H new ATOM 369 N ARG A 28 -0.035 -6.203 -3.130 1.00 0.00 N ATOM 370 CA ARG A 28 0.792 -5.598 -2.094 1.00 0.00 C ATOM 371 C ARG A 28 1.535 -4.379 -2.633 1.00 0.00 C ATOM 372 O ARG A 28 1.788 -3.421 -1.903 1.00 0.00 O ATOM 373 CB ARG A 28 1.793 -6.619 -1.549 1.00 0.00 C ATOM 374 CG ARG A 28 2.868 -7.010 -2.550 1.00 0.00 C ATOM 375 CD ARG A 28 4.054 -7.670 -1.863 1.00 0.00 C ATOM 376 NE ARG A 28 3.861 -9.109 -1.701 1.00 0.00 N ATOM 377 CZ ARG A 28 4.823 -9.940 -1.314 1.00 0.00 C ATOM 378 NH1 ARG A 28 6.037 -9.477 -1.050 1.00 0.00 N ATOM 379 NH2 ARG A 28 4.570 -11.236 -1.189 1.00 0.00 N ATOM 0 H ARG A 28 -0.040 -7.223 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 28 0.137 -5.274 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.269 -6.209 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.254 -7.514 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.448 -7.692 -3.289 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.205 -6.124 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.957 -7.489 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.208 -7.212 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 28 2.938 -9.497 -1.895 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.234 -8.481 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.774 -10.117 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.637 -11.595 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.309 -11.874 -0.892 1.00 0.00 H new ATOM 393 N GLU A 29 1.882 -4.424 -3.916 1.00 0.00 N ATOM 394 CA GLU A 29 2.597 -3.324 -4.552 1.00 0.00 C ATOM 395 C GLU A 29 1.668 -2.136 -4.789 1.00 0.00 C ATOM 396 O GLU A 29 1.984 -1.006 -4.420 1.00 0.00 O ATOM 397 CB GLU A 29 3.207 -3.782 -5.878 1.00 0.00 C ATOM 398 CG GLU A 29 4.330 -4.792 -5.715 1.00 0.00 C ATOM 399 CD GLU A 29 4.927 -5.220 -7.042 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.511 -4.362 -7.735 1.00 0.00 O ATOM 401 OE2 GLU A 29 4.809 -6.415 -7.386 1.00 0.00 O ATOM 0 H GLU A 29 1.680 -5.210 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 29 3.397 -3.009 -3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.423 -4.219 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.587 -2.912 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.113 -4.362 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.951 -5.670 -5.191 1.00 0.00 H new ATOM 408 N GLN A 30 0.523 -2.403 -5.409 1.00 0.00 N ATOM 409 CA GLN A 30 -0.451 -1.357 -5.697 1.00 0.00 C ATOM 410 C GLN A 30 -0.804 -0.579 -4.434 1.00 0.00 C ATOM 411 O GLN A 30 -0.867 0.651 -4.446 1.00 0.00 O ATOM 412 CB GLN A 30 -1.715 -1.962 -6.308 1.00 0.00 C ATOM 413 CG GLN A 30 -1.489 -2.596 -7.671 1.00 0.00 C ATOM 414 CD GLN A 30 -2.731 -2.573 -8.539 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.208 -1.376 -8.859 1.00 0.00 O flip ATOM 416 NE2 GLN A 30 -3.258 -3.620 -8.918 1.00 0.00 N flip ATOM 0 H GLN A 30 0.247 -3.334 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.005 -0.667 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.113 -2.715 -5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.473 -1.184 -6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.683 -2.070 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.163 -3.627 -7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.858 -4.519 -8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.094 -3.588 -9.501 1.00 0.00 H new ATOM 425 N LEU A 31 -1.034 -1.304 -3.344 1.00 0.00 N ATOM 426 CA LEU A 31 -1.382 -0.682 -2.071 1.00 0.00 C ATOM 427 C LEU A 31 -0.396 0.428 -1.720 1.00 0.00 C ATOM 428 O LEU A 31 -0.785 1.479 -1.208 1.00 0.00 O ATOM 429 CB LEU A 31 -1.405 -1.731 -0.958 1.00 0.00 C ATOM 430 CG LEU A 31 -2.696 -2.540 -0.825 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.872 -1.623 -0.522 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.956 -3.343 -2.091 1.00 0.00 C ATOM 0 H LEU A 31 -0.986 -2.322 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.375 -0.243 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.580 -2.425 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.215 -1.229 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.581 -3.237 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.782 -2.216 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.689 -1.093 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.989 -0.902 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.879 -3.912 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.050 -2.665 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.126 -4.028 -2.264 1.00 0.00 H new ATOM 444 N LEU A 32 0.880 0.188 -2.000 1.00 0.00 N ATOM 445 CA LEU A 32 1.922 1.168 -1.715 1.00 0.00 C ATOM 446 C LEU A 32 1.894 2.304 -2.733 1.00 0.00 C ATOM 447 O LEU A 32 1.925 3.480 -2.367 1.00 0.00 O ATOM 448 CB LEU A 32 3.297 0.497 -1.722 1.00 0.00 C ATOM 449 CG LEU A 32 4.356 1.127 -0.818 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.312 0.506 0.570 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.741 0.971 -1.430 1.00 0.00 C ATOM 0 H LEU A 32 1.218 -0.676 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 32 1.733 1.585 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.172 -0.545 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.674 0.498 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 32 4.139 2.191 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.073 0.967 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.329 0.670 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.503 -0.565 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.482 1.425 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.967 -0.088 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.767 1.464 -2.402 1.00 0.00 H new ATOM 463 N TYR A 33 1.833 1.946 -4.010 1.00 0.00 N ATOM 464 CA TYR A 33 1.800 2.935 -5.081 1.00 0.00 C ATOM 465 C TYR A 33 0.862 4.086 -4.731 1.00 0.00 C ATOM 466 O TYR A 33 1.122 5.241 -5.071 1.00 0.00 O ATOM 467 CB TYR A 33 1.359 2.283 -6.393 1.00 0.00 C ATOM 468 CG TYR A 33 1.478 3.196 -7.592 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.691 3.356 -8.250 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.377 3.899 -8.067 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.804 4.190 -9.346 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.481 4.734 -9.163 1.00 0.00 C ATOM 473 CZ TYR A 33 1.697 4.876 -9.799 1.00 0.00 C ATOM 474 OH TYR A 33 1.805 5.707 -10.890 1.00 0.00 O ATOM 0 H TYR A 33 1.805 0.978 -4.329 1.00 0.00 H new ATOM 0 HA TYR A 33 2.807 3.335 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.960 1.390 -6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.324 1.956 -6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.560 2.820 -7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.576 3.791 -7.571 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.755 4.304 -9.845 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.385 5.272 -9.520 1.00 0.00 H new ATOM 0 HH TYR A 33 0.924 5.818 -11.305 1.00 0.00 H new ATOM 484 N LEU A 34 -0.231 3.763 -4.048 1.00 0.00 N ATOM 485 CA LEU A 34 -1.210 4.768 -3.650 1.00 0.00 C ATOM 486 C LEU A 34 -0.782 5.464 -2.362 1.00 0.00 C ATOM 487 O LEU A 34 -1.079 6.641 -2.152 1.00 0.00 O ATOM 488 CB LEU A 34 -2.585 4.124 -3.463 1.00 0.00 C ATOM 489 CG LEU A 34 -3.052 3.200 -4.588 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.489 2.760 -4.356 1.00 0.00 C ATOM 491 CD2 LEU A 34 -2.915 3.891 -5.937 1.00 0.00 C ATOM 0 H LEU A 34 -0.461 2.813 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.271 5.514 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.574 3.555 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.322 4.918 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.418 2.313 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.804 2.103 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.557 2.225 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.137 3.636 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.252 3.219 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.524 4.795 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.871 4.155 -6.106 1.00 0.00 H new ATOM 503 N TYR A 35 -0.083 4.731 -1.503 1.00 0.00 N ATOM 504 CA TYR A 35 0.386 5.277 -0.236 1.00 0.00 C ATOM 505 C TYR A 35 1.356 6.432 -0.466 1.00 0.00 C ATOM 506 O TYR A 35 1.141 7.544 0.017 1.00 0.00 O ATOM 507 CB TYR A 35 1.063 4.186 0.595 1.00 0.00 C ATOM 508 CG TYR A 35 1.932 4.725 1.709 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.237 5.133 1.463 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.449 4.824 3.008 1.00 0.00 C ATOM 511 CE1 TYR A 35 4.036 5.625 2.477 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.239 5.317 4.028 1.00 0.00 C ATOM 513 CZ TYR A 35 3.532 5.715 3.758 1.00 0.00 C ATOM 514 OH TYR A 35 4.323 6.205 4.772 1.00 0.00 O ATOM 0 H TYR A 35 0.171 3.756 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.479 5.655 0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.297 3.539 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.673 3.566 -0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.634 5.064 0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.438 4.510 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.049 5.937 2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.847 5.391 5.032 1.00 0.00 H new ATOM 0 HH TYR A 35 3.817 6.203 5.611 1.00 0.00 H new ATOM 524 N ALA A 36 2.424 6.161 -1.208 1.00 0.00 N ATOM 525 CA ALA A 36 3.426 7.176 -1.505 1.00 0.00 C ATOM 526 C ALA A 36 2.775 8.458 -2.014 1.00 0.00 C ATOM 527 O ALA A 36 2.880 9.511 -1.384 1.00 0.00 O ATOM 528 CB ALA A 36 4.426 6.649 -2.524 1.00 0.00 C ATOM 0 H ALA A 36 2.618 5.246 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 36 3.955 7.410 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.169 7.418 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.923 5.766 -2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.904 6.385 -3.444 1.00 0.00 H new ATOM 534 N ARG A 37 2.104 8.361 -3.157 1.00 0.00 N ATOM 535 CA ARG A 37 1.437 9.514 -3.751 1.00 0.00 C ATOM 536 C ARG A 37 0.498 10.176 -2.747 1.00 0.00 C ATOM 537 O ARG A 37 0.509 11.397 -2.582 1.00 0.00 O ATOM 538 CB ARG A 37 0.654 9.092 -4.995 1.00 0.00 C ATOM 539 CG ARG A 37 1.537 8.760 -6.187 1.00 0.00 C ATOM 540 CD ARG A 37 0.714 8.546 -7.448 1.00 0.00 C ATOM 541 NE ARG A 37 1.471 8.861 -8.656 1.00 0.00 N ATOM 542 CZ ARG A 37 2.460 8.106 -9.121 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.809 6.998 -8.483 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.103 8.459 -10.227 1.00 0.00 N ATOM 0 H ARG A 37 2.008 7.497 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 37 2.202 10.236 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.044 8.222 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.030 9.894 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.250 9.568 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.117 7.862 -5.973 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.379 7.510 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.180 9.169 -7.408 1.00 0.00 H new ATOM 0 HE ARG A 37 1.227 9.707 -9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.318 6.723 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.569 6.420 -8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.838 9.311 -10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.862 7.878 -10.583 1.00 0.00 H new ATOM 558 N TYR A 38 -0.313 9.364 -2.078 1.00 0.00 N ATOM 559 CA TYR A 38 -1.260 9.871 -1.092 1.00 0.00 C ATOM 560 C TYR A 38 -0.533 10.579 0.047 1.00 0.00 C ATOM 561 O TYR A 38 -1.057 11.519 0.646 1.00 0.00 O ATOM 562 CB TYR A 38 -2.112 8.728 -0.537 1.00 0.00 C ATOM 563 CG TYR A 38 -2.985 9.135 0.628 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.429 9.455 1.860 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.367 9.197 0.497 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.223 9.827 2.928 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.169 9.569 1.559 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.592 9.882 2.772 1.00 0.00 C ATOM 569 OH TYR A 38 -5.388 10.252 3.832 1.00 0.00 O ATOM 0 H TYR A 38 -0.334 8.352 -2.201 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.911 10.592 -1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.744 8.337 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.456 7.916 -0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.357 9.412 1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.822 8.950 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.774 10.073 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.241 9.614 1.440 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.328 10.241 3.555 1.00 0.00 H new ATOM 579 N LYS A 39 0.679 10.121 0.343 1.00 0.00 N ATOM 580 CA LYS A 39 1.481 10.709 1.409 1.00 0.00 C ATOM 581 C LYS A 39 2.133 12.007 0.945 1.00 0.00 C ATOM 582 O LYS A 39 2.468 12.868 1.759 1.00 0.00 O ATOM 583 CB LYS A 39 2.556 9.722 1.870 1.00 0.00 C ATOM 584 CG LYS A 39 2.032 8.646 2.807 1.00 0.00 C ATOM 585 CD LYS A 39 1.801 9.191 4.206 1.00 0.00 C ATOM 586 CE LYS A 39 3.088 9.726 4.816 1.00 0.00 C ATOM 587 NZ LYS A 39 2.988 9.860 6.295 1.00 0.00 N ATOM 0 H LYS A 39 1.128 9.343 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 39 0.820 10.934 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.000 9.246 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.352 10.273 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.099 8.242 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.743 7.821 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.057 9.986 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.396 8.404 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.913 9.058 4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.321 10.697 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.885 10.227 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.218 10.517 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.791 8.929 6.715 1.00 0.00 H new ATOM 601 N GLN A 40 2.309 12.141 -0.365 1.00 0.00 N ATOM 602 CA GLN A 40 2.921 13.336 -0.935 1.00 0.00 C ATOM 603 C GLN A 40 1.916 14.481 -1.006 1.00 0.00 C ATOM 604 O GLN A 40 2.228 15.618 -0.651 1.00 0.00 O ATOM 605 CB GLN A 40 3.470 13.036 -2.331 1.00 0.00 C ATOM 606 CG GLN A 40 3.786 14.284 -3.141 1.00 0.00 C ATOM 607 CD GLN A 40 4.876 15.128 -2.510 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.707 14.626 -1.754 1.00 0.00 O ATOM 609 NE2 GLN A 40 4.878 16.420 -2.819 1.00 0.00 N ATOM 0 H GLN A 40 2.037 11.438 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 40 3.743 13.638 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.375 12.436 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.744 12.433 -2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.093 13.993 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.882 14.884 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.170 16.794 -3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.588 17.038 -2.425 1.00 0.00 H new ATOM 618 N VAL A 41 0.708 14.174 -1.467 1.00 0.00 N ATOM 619 CA VAL A 41 -0.344 15.177 -1.584 1.00 0.00 C ATOM 620 C VAL A 41 -0.787 15.671 -0.212 1.00 0.00 C ATOM 621 O VAL A 41 -1.301 16.782 -0.075 1.00 0.00 O ATOM 622 CB VAL A 41 -1.567 14.623 -2.338 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.126 13.753 -3.505 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.467 13.843 -1.391 1.00 0.00 C ATOM 0 H VAL A 41 0.433 13.238 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 41 0.074 16.010 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.137 15.462 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.004 13.371 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.525 14.346 -4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.533 12.918 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.327 13.458 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.909 13.011 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.811 14.500 -0.592 1.00 0.00 H new ATOM 634 N LYS A 42 -0.584 14.839 0.804 1.00 0.00 N ATOM 635 CA LYS A 42 -0.961 15.191 2.168 1.00 0.00 C ATOM 636 C LYS A 42 0.190 15.886 2.888 1.00 0.00 C ATOM 637 O LYS A 42 0.025 16.975 3.438 1.00 0.00 O ATOM 638 CB LYS A 42 -1.379 13.939 2.943 1.00 0.00 C ATOM 639 CG LYS A 42 -2.650 13.295 2.417 1.00 0.00 C ATOM 640 CD LYS A 42 -3.873 14.140 2.728 1.00 0.00 C ATOM 641 CE LYS A 42 -5.099 13.646 1.975 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.358 13.934 2.715 1.00 0.00 N ATOM 0 H LYS A 42 -0.160 13.916 0.709 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.805 15.879 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.569 13.210 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.521 14.201 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.568 13.154 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.768 12.306 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.069 14.117 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.676 15.179 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.138 14.120 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.014 12.572 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.170 13.582 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.332 13.461 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.453 14.960 2.853 1.00 0.00 H new ATOM 656 N VAL A 43 1.358 15.250 2.881 1.00 0.00 N ATOM 657 CA VAL A 43 2.537 15.809 3.531 1.00 0.00 C ATOM 658 C VAL A 43 3.356 16.648 2.556 1.00 0.00 C ATOM 659 O VAL A 43 3.504 17.857 2.733 1.00 0.00 O ATOM 660 CB VAL A 43 3.433 14.702 4.117 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.522 15.303 4.991 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.598 13.702 4.902 1.00 0.00 C ATOM 0 H VAL A 43 1.512 14.347 2.432 1.00 0.00 H new ATOM 0 HA VAL A 43 2.180 16.444 4.342 1.00 0.00 H new ATOM 0 HB VAL A 43 3.913 14.173 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.145 14.506 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.137 15.976 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.066 15.859 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.247 12.927 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.089 14.215 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.859 13.247 4.242 1.00 0.00 H new ATOM 672 N GLY A 44 3.888 15.997 1.526 1.00 0.00 N ATOM 673 CA GLY A 44 4.686 16.699 0.537 1.00 0.00 C ATOM 674 C GLY A 44 6.146 16.292 0.576 1.00 0.00 C ATOM 675 O GLY A 44 6.466 15.125 0.795 1.00 0.00 O ATOM 0 H GLY A 44 3.781 14.997 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.283 16.502 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.607 17.773 0.706 1.00 0.00 H new ATOM 679 N ASN A 45 7.033 17.257 0.360 1.00 0.00 N ATOM 680 CA ASN A 45 8.467 16.993 0.368 1.00 0.00 C ATOM 681 C ASN A 45 8.856 16.140 1.572 1.00 0.00 C ATOM 682 O ASN A 45 8.881 16.621 2.705 1.00 0.00 O ATOM 683 CB ASN A 45 9.250 18.307 0.387 1.00 0.00 C ATOM 684 CG ASN A 45 9.065 19.108 -0.887 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.963 19.568 -1.190 1.00 0.00 O ATOM 686 ND2 ASN A 45 10.144 19.279 -1.641 1.00 0.00 N ATOM 0 H ASN A 45 6.784 18.229 0.177 1.00 0.00 H new ATOM 0 HA ASN A 45 8.714 16.444 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.929 18.906 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.310 18.094 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.080 19.809 -2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.037 18.880 -1.351 1.00 0.00 H new ATOM 693 N CYS A 46 9.159 14.871 1.318 1.00 0.00 N ATOM 694 CA CYS A 46 9.546 13.950 2.381 1.00 0.00 C ATOM 695 C CYS A 46 10.416 14.652 3.418 1.00 0.00 C ATOM 696 O CYS A 46 11.403 15.303 3.077 1.00 0.00 O ATOM 697 CB CYS A 46 10.294 12.751 1.797 1.00 0.00 C ATOM 698 SG CYS A 46 10.823 11.539 3.030 1.00 0.00 S ATOM 0 H CYS A 46 9.144 14.457 0.386 1.00 0.00 H new ATOM 0 HA CYS A 46 8.639 13.599 2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.652 12.256 1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.170 13.111 1.257 1.00 0.00 H new ATOM 0 HG CYS A 46 11.445 10.562 2.439 1.00 0.00 H new ATOM 704 N ASN A 47 10.042 14.516 4.686 1.00 0.00 N ATOM 705 CA ASN A 47 10.788 15.139 5.774 1.00 0.00 C ATOM 706 C ASN A 47 11.139 14.115 6.849 1.00 0.00 C ATOM 707 O ASN A 47 12.184 14.208 7.494 1.00 0.00 O ATOM 708 CB ASN A 47 9.976 16.282 6.387 1.00 0.00 C ATOM 709 CG ASN A 47 8.858 15.782 7.281 1.00 0.00 C ATOM 710 OD1 ASN A 47 8.981 15.781 8.506 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.759 15.352 6.671 1.00 0.00 N ATOM 0 H ASN A 47 9.227 13.980 4.986 1.00 0.00 H new ATOM 0 HA ASN A 47 11.715 15.540 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.639 16.926 6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.554 16.893 5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.974 15.003 7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.700 15.371 5.653 1.00 0.00 H new ATOM 718 N THR A 48 10.258 13.138 7.038 1.00 0.00 N ATOM 719 CA THR A 48 10.473 12.097 8.035 1.00 0.00 C ATOM 720 C THR A 48 11.849 11.461 7.877 1.00 0.00 C ATOM 721 O THR A 48 12.413 11.407 6.784 1.00 0.00 O ATOM 722 CB THR A 48 9.398 10.997 7.941 1.00 0.00 C ATOM 723 OG1 THR A 48 9.276 10.547 6.587 1.00 0.00 O ATOM 724 CG2 THR A 48 8.054 11.512 8.433 1.00 0.00 C ATOM 0 H THR A 48 9.388 13.046 6.513 1.00 0.00 H new ATOM 0 HA THR A 48 10.407 12.577 9.012 1.00 0.00 H new ATOM 0 HB THR A 48 9.704 10.164 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.800 9.727 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.311 10.719 8.357 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.144 11.827 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.743 12.360 7.822 1.00 0.00 H new ATOM 732 N PRO A 49 12.405 10.965 8.993 1.00 0.00 N ATOM 733 CA PRO A 49 13.722 10.322 9.003 1.00 0.00 C ATOM 734 C PRO A 49 13.715 8.974 8.291 1.00 0.00 C ATOM 735 O PRO A 49 12.749 8.216 8.384 1.00 0.00 O ATOM 736 CB PRO A 49 14.015 10.138 10.494 1.00 0.00 C ATOM 737 CG PRO A 49 12.674 10.087 11.141 1.00 0.00 C ATOM 738 CD PRO A 49 11.789 10.994 10.330 1.00 0.00 C ATOM 0 HA PRO A 49 14.470 10.916 8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.578 9.222 10.677 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.612 10.962 10.885 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.284 9.069 11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.728 10.419 12.178 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.760 10.635 10.306 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.765 12.004 10.740 1.00 0.00 H new ATOM 746 N LYS A 50 14.798 8.679 7.581 1.00 0.00 N ATOM 747 CA LYS A 50 14.918 7.421 6.853 1.00 0.00 C ATOM 748 C LYS A 50 14.788 6.232 7.799 1.00 0.00 C ATOM 749 O LYS A 50 15.462 6.149 8.827 1.00 0.00 O ATOM 750 CB LYS A 50 16.259 7.359 6.119 1.00 0.00 C ATOM 751 CG LYS A 50 16.341 6.238 5.097 1.00 0.00 C ATOM 752 CD LYS A 50 17.518 6.429 4.154 1.00 0.00 C ATOM 753 CE LYS A 50 17.535 5.369 3.063 1.00 0.00 C ATOM 754 NZ LYS A 50 18.708 5.523 2.158 1.00 0.00 N ATOM 0 H LYS A 50 15.607 9.295 7.494 1.00 0.00 H new ATOM 0 HA LYS A 50 14.110 7.373 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.433 8.311 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.058 7.233 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.437 5.282 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.416 6.200 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.465 7.419 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.449 6.386 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.555 4.379 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.616 5.433 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.683 4.782 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.675 6.458 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.586 5.437 2.709 1.00 0.00 H new ATOM 768 N PRO A 51 13.904 5.287 7.446 1.00 0.00 N ATOM 769 CA PRO A 51 13.667 4.084 8.250 1.00 0.00 C ATOM 770 C PRO A 51 14.852 3.125 8.219 1.00 0.00 C ATOM 771 O PRO A 51 15.377 2.806 7.152 1.00 0.00 O ATOM 772 CB PRO A 51 12.445 3.447 7.583 1.00 0.00 C ATOM 773 CG PRO A 51 12.483 3.937 6.176 1.00 0.00 C ATOM 774 CD PRO A 51 13.067 5.321 6.235 1.00 0.00 C ATOM 0 HA PRO A 51 13.519 4.320 9.304 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.493 2.359 7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.522 3.744 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.092 3.283 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.484 3.953 5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.656 5.547 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.290 6.082 6.305 1.00 0.00 H new ATOM 782 N SER A 52 15.267 2.666 9.396 1.00 0.00 N ATOM 783 CA SER A 52 16.392 1.745 9.503 1.00 0.00 C ATOM 784 C SER A 52 16.248 0.594 8.513 1.00 0.00 C ATOM 785 O SER A 52 15.138 0.220 8.135 1.00 0.00 O ATOM 786 CB SER A 52 16.495 1.197 10.928 1.00 0.00 C ATOM 787 OG SER A 52 17.839 0.899 11.264 1.00 0.00 O ATOM 0 H SER A 52 14.841 2.917 10.288 1.00 0.00 H new ATOM 0 HA SER A 52 17.303 2.294 9.265 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.094 1.927 11.631 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.886 0.298 11.020 1.00 0.00 H new ATOM 0 HG SER A 52 17.878 0.552 12.180 1.00 0.00 H new ATOM 793 N PHE A 53 17.380 0.036 8.095 1.00 0.00 N ATOM 794 CA PHE A 53 17.382 -1.072 7.148 1.00 0.00 C ATOM 795 C PHE A 53 16.504 -2.216 7.647 1.00 0.00 C ATOM 796 O PHE A 53 15.715 -2.784 6.891 1.00 0.00 O ATOM 797 CB PHE A 53 18.809 -1.572 6.918 1.00 0.00 C ATOM 798 CG PHE A 53 18.875 -2.981 6.400 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.587 -3.259 5.074 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.226 -4.026 7.240 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.646 -4.555 4.595 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.287 -5.323 6.766 1.00 0.00 C ATOM 803 CZ PHE A 53 18.998 -5.587 5.442 1.00 0.00 C ATOM 0 H PHE A 53 18.307 0.334 8.398 1.00 0.00 H new ATOM 0 HA PHE A 53 16.975 -0.710 6.204 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.308 -0.910 6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.362 -1.512 7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.313 -2.455 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.454 -3.825 8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.417 -4.760 3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.560 -6.129 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.047 -6.599 5.069 1.00 0.00 H new ATOM 813 N PHE A 54 16.648 -2.551 8.925 1.00 0.00 N ATOM 814 CA PHE A 54 15.871 -3.628 9.526 1.00 0.00 C ATOM 815 C PHE A 54 14.385 -3.461 9.222 1.00 0.00 C ATOM 816 O PHE A 54 13.712 -4.410 8.820 1.00 0.00 O ATOM 817 CB PHE A 54 16.093 -3.663 11.039 1.00 0.00 C ATOM 818 CG PHE A 54 17.255 -4.519 11.455 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.504 -4.339 10.883 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.098 -5.504 12.417 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.576 -5.125 11.264 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.166 -6.292 12.801 1.00 0.00 C ATOM 823 CZ PHE A 54 19.406 -6.103 12.223 1.00 0.00 C ATOM 0 H PHE A 54 17.296 -2.091 9.565 1.00 0.00 H new ATOM 0 HA PHE A 54 16.209 -4.570 9.095 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.254 -2.647 11.398 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.189 -4.032 11.522 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.642 -3.576 10.131 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.130 -5.657 12.871 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.545 -4.974 10.812 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.031 -7.055 13.553 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.241 -6.719 12.521 1.00 0.00 H new ATOM 833 N ASP A 55 13.880 -2.248 9.418 1.00 0.00 N ATOM 834 CA ASP A 55 12.474 -1.954 9.166 1.00 0.00 C ATOM 835 C ASP A 55 12.194 -1.887 7.668 1.00 0.00 C ATOM 836 O ASP A 55 12.072 -0.803 7.097 1.00 0.00 O ATOM 837 CB ASP A 55 12.078 -0.635 9.831 1.00 0.00 C ATOM 838 CG ASP A 55 10.577 -0.490 9.982 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.931 -1.452 10.449 1.00 0.00 O ATOM 840 OD2 ASP A 55 10.047 0.585 9.632 1.00 0.00 O ATOM 0 H ASP A 55 14.424 -1.452 9.751 1.00 0.00 H new ATOM 0 HA ASP A 55 11.878 -2.760 9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.547 -0.572 10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.463 0.196 9.240 1.00 0.00 H new ATOM 845 N PHE A 56 12.094 -3.052 7.037 1.00 0.00 N ATOM 846 CA PHE A 56 11.830 -3.125 5.604 1.00 0.00 C ATOM 847 C PHE A 56 10.433 -2.604 5.281 1.00 0.00 C ATOM 848 O PHE A 56 10.275 -1.660 4.508 1.00 0.00 O ATOM 849 CB PHE A 56 11.976 -4.566 5.110 1.00 0.00 C ATOM 850 CG PHE A 56 12.888 -5.402 5.961 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.402 -6.070 7.073 1.00 0.00 C ATOM 852 CD2 PHE A 56 14.233 -5.519 5.649 1.00 0.00 C ATOM 853 CE1 PHE A 56 13.239 -6.841 7.858 1.00 0.00 C ATOM 854 CE2 PHE A 56 15.075 -6.288 6.430 1.00 0.00 C ATOM 855 CZ PHE A 56 14.578 -6.949 7.537 1.00 0.00 C ATOM 0 H PHE A 56 12.192 -3.958 7.495 1.00 0.00 H new ATOM 0 HA PHE A 56 12.560 -2.497 5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.991 -5.033 5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.355 -4.555 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.356 -5.987 7.330 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.628 -5.004 4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.846 -7.358 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.121 -6.372 6.175 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.235 -7.549 8.150 1.00 0.00 H new ATOM 865 N GLU A 57 9.422 -3.227 5.879 1.00 0.00 N ATOM 866 CA GLU A 57 8.038 -2.826 5.654 1.00 0.00 C ATOM 867 C GLU A 57 7.920 -1.308 5.558 1.00 0.00 C ATOM 868 O GLU A 57 7.416 -0.775 4.570 1.00 0.00 O ATOM 869 CB GLU A 57 7.143 -3.348 6.779 1.00 0.00 C ATOM 870 CG GLU A 57 7.428 -4.790 7.165 1.00 0.00 C ATOM 871 CD GLU A 57 6.383 -5.361 8.103 1.00 0.00 C ATOM 872 OE1 GLU A 57 6.194 -4.793 9.198 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.753 -6.377 7.740 1.00 0.00 O ATOM 0 H GLU A 57 9.535 -4.010 6.522 1.00 0.00 H new ATOM 0 HA GLU A 57 7.711 -3.259 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.270 -2.714 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.101 -3.262 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.474 -5.401 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.407 -4.848 7.640 1.00 0.00 H new ATOM 880 N GLY A 58 8.388 -0.617 6.592 1.00 0.00 N ATOM 881 CA GLY A 58 8.325 0.833 6.606 1.00 0.00 C ATOM 882 C GLY A 58 9.285 1.464 5.617 1.00 0.00 C ATOM 883 O GLY A 58 9.112 2.618 5.222 1.00 0.00 O ATOM 0 H GLY A 58 8.810 -1.035 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.309 1.152 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.552 1.194 7.609 1.00 0.00 H new ATOM 887 N LYS A 59 10.301 0.708 5.216 1.00 0.00 N ATOM 888 CA LYS A 59 11.293 1.199 4.267 1.00 0.00 C ATOM 889 C LYS A 59 10.657 1.474 2.908 1.00 0.00 C ATOM 890 O LYS A 59 10.760 2.579 2.377 1.00 0.00 O ATOM 891 CB LYS A 59 12.429 0.185 4.115 1.00 0.00 C ATOM 892 CG LYS A 59 13.619 0.717 3.335 1.00 0.00 C ATOM 893 CD LYS A 59 14.800 -0.236 3.401 1.00 0.00 C ATOM 894 CE LYS A 59 14.601 -1.436 2.487 1.00 0.00 C ATOM 895 NZ LYS A 59 14.777 -1.076 1.053 1.00 0.00 N ATOM 0 H LYS A 59 10.459 -0.248 5.534 1.00 0.00 H new ATOM 0 HA LYS A 59 11.698 2.134 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.763 -0.125 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.046 -0.705 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.333 0.872 2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.912 1.688 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.711 0.292 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.936 -0.578 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.311 -2.218 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.603 -1.846 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.021 -1.515 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.732 -0.042 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.701 -1.419 0.720 1.00 0.00 H new ATOM 909 N GLN A 60 9.999 0.462 2.352 1.00 0.00 N ATOM 910 CA GLN A 60 9.346 0.596 1.056 1.00 0.00 C ATOM 911 C GLN A 60 8.411 1.801 1.039 1.00 0.00 C ATOM 912 O GLN A 60 8.389 2.570 0.078 1.00 0.00 O ATOM 913 CB GLN A 60 8.564 -0.675 0.720 1.00 0.00 C ATOM 914 CG GLN A 60 7.733 -1.201 1.879 1.00 0.00 C ATOM 915 CD GLN A 60 6.879 -2.392 1.491 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.669 -2.403 1.718 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.505 -3.403 0.901 1.00 0.00 N ATOM 0 H GLN A 60 9.904 -0.459 2.779 1.00 0.00 H new ATOM 0 HA GLN A 60 10.119 0.748 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.907 -0.474 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.263 -1.449 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.395 -1.485 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.090 -0.404 2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.510 -3.352 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.981 -4.231 0.617 1.00 0.00 H new ATOM 926 N LYS A 61 7.640 1.960 2.109 1.00 0.00 N ATOM 927 CA LYS A 61 6.703 3.072 2.220 1.00 0.00 C ATOM 928 C LYS A 61 7.439 4.408 2.200 1.00 0.00 C ATOM 929 O LYS A 61 7.050 5.331 1.484 1.00 0.00 O ATOM 930 CB LYS A 61 5.883 2.948 3.506 1.00 0.00 C ATOM 931 CG LYS A 61 5.237 1.586 3.687 1.00 0.00 C ATOM 932 CD LYS A 61 4.319 1.560 4.897 1.00 0.00 C ATOM 933 CE LYS A 61 2.897 1.954 4.527 1.00 0.00 C ATOM 934 NZ LYS A 61 1.909 1.474 5.532 1.00 0.00 N ATOM 0 H LYS A 61 7.645 1.332 2.913 1.00 0.00 H new ATOM 0 HA LYS A 61 6.031 3.035 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.529 3.150 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.106 3.712 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.669 1.330 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.011 0.827 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.319 0.561 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.700 2.241 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.831 3.039 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.649 1.542 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.952 1.763 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.954 0.437 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.130 1.887 6.461 1.00 0.00 H new ATOM 948 N TRP A 62 8.504 4.503 2.988 1.00 0.00 N ATOM 949 CA TRP A 62 9.295 5.726 3.059 1.00 0.00 C ATOM 950 C TRP A 62 9.929 6.044 1.709 1.00 0.00 C ATOM 951 O TRP A 62 9.920 7.191 1.265 1.00 0.00 O ATOM 952 CB TRP A 62 10.381 5.594 4.128 1.00 0.00 C ATOM 953 CG TRP A 62 11.114 6.875 4.392 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.748 7.863 5.261 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.335 7.305 3.782 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.669 8.882 5.227 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.653 8.564 4.329 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.193 6.749 2.829 1.00 0.00 C ATOM 959 CZ2 TRP A 62 13.790 9.273 3.952 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.321 7.454 2.456 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.612 8.705 3.017 1.00 0.00 C ATOM 0 H TRP A 62 8.839 3.748 3.586 1.00 0.00 H new ATOM 0 HA TRP A 62 8.628 6.545 3.328 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.927 5.246 5.056 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.096 4.832 3.817 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.865 7.846 5.883 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.627 9.737 5.781 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.978 5.785 2.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.016 10.238 4.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.990 7.034 1.720 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.502 9.231 2.705 1.00 0.00 H new ATOM 972 N GLU A 63 10.477 5.020 1.062 1.00 0.00 N ATOM 973 CA GLU A 63 11.115 5.193 -0.238 1.00 0.00 C ATOM 974 C GLU A 63 10.128 5.753 -1.259 1.00 0.00 C ATOM 975 O GLU A 63 10.289 6.873 -1.743 1.00 0.00 O ATOM 976 CB GLU A 63 11.678 3.860 -0.736 1.00 0.00 C ATOM 977 CG GLU A 63 13.011 3.490 -0.107 1.00 0.00 C ATOM 978 CD GLU A 63 13.855 2.608 -1.006 1.00 0.00 C ATOM 979 OE1 GLU A 63 14.039 2.967 -2.188 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.333 1.558 -0.527 1.00 0.00 O ATOM 0 H GLU A 63 10.492 4.064 1.416 1.00 0.00 H new ATOM 0 HA GLU A 63 11.933 5.904 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.956 3.070 -0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.797 3.907 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.564 4.400 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.833 2.975 0.837 1.00 0.00 H new ATOM 987 N ALA A 64 9.108 4.965 -1.581 1.00 0.00 N ATOM 988 CA ALA A 64 8.094 5.382 -2.542 1.00 0.00 C ATOM 989 C ALA A 64 7.750 6.858 -2.371 1.00 0.00 C ATOM 990 O ALA A 64 7.806 7.632 -3.326 1.00 0.00 O ATOM 991 CB ALA A 64 6.845 4.526 -2.396 1.00 0.00 C ATOM 0 H ALA A 64 8.962 4.034 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 64 8.500 5.244 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.096 4.848 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.097 3.481 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.445 4.634 -1.388 1.00 0.00 H new ATOM 997 N TRP A 65 7.393 7.240 -1.150 1.00 0.00 N ATOM 998 CA TRP A 65 7.038 8.623 -0.856 1.00 0.00 C ATOM 999 C TRP A 65 8.252 9.536 -0.987 1.00 0.00 C ATOM 1000 O TRP A 65 8.141 10.672 -1.449 1.00 0.00 O ATOM 1001 CB TRP A 65 6.452 8.732 0.553 1.00 0.00 C ATOM 1002 CG TRP A 65 6.260 10.147 1.009 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.989 11.231 0.223 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.325 10.631 2.355 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.882 12.360 1.000 1.00 0.00 N ATOM 1006 CE2 TRP A 65 6.083 12.018 2.311 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.562 10.027 3.592 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 6.073 12.808 3.458 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.552 10.812 4.729 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.309 12.190 4.656 1.00 0.00 C ATOM 0 H TRP A 65 7.342 6.612 -0.348 1.00 0.00 H new ATOM 0 HA TRP A 65 6.288 8.941 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.492 8.216 0.581 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.111 8.218 1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.876 11.205 -0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.685 13.300 0.656 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.750 8.966 3.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.886 13.870 3.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.735 10.356 5.691 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.308 12.776 5.563 1.00 0.00 H new ATOM 1021 N LYS A 66 9.412 9.033 -0.578 1.00 0.00 N ATOM 1022 CA LYS A 66 10.649 9.802 -0.651 1.00 0.00 C ATOM 1023 C LYS A 66 10.924 10.255 -2.081 1.00 0.00 C ATOM 1024 O LYS A 66 11.172 11.434 -2.332 1.00 0.00 O ATOM 1025 CB LYS A 66 11.823 8.969 -0.133 1.00 0.00 C ATOM 1026 CG LYS A 66 13.179 9.603 -0.391 1.00 0.00 C ATOM 1027 CD LYS A 66 13.461 10.734 0.585 1.00 0.00 C ATOM 1028 CE LYS A 66 14.732 11.483 0.217 1.00 0.00 C ATOM 1029 NZ LYS A 66 15.954 10.747 0.645 1.00 0.00 N ATOM 0 H LYS A 66 9.521 8.095 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 66 10.535 10.686 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.702 8.813 0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.796 7.986 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.958 8.845 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.215 9.984 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.619 11.426 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.554 10.331 1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.762 11.640 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.720 12.469 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.664 10.782 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.342 11.188 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.710 9.756 0.845 1.00 0.00 H new ATOM 1043 N ALA A 67 10.878 9.311 -3.015 1.00 0.00 N ATOM 1044 CA ALA A 67 11.119 9.613 -4.420 1.00 0.00 C ATOM 1045 C ALA A 67 10.350 10.857 -4.854 1.00 0.00 C ATOM 1046 O ALA A 67 10.835 11.649 -5.663 1.00 0.00 O ATOM 1047 CB ALA A 67 10.737 8.424 -5.289 1.00 0.00 C ATOM 0 H ALA A 67 10.676 8.330 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 67 12.183 9.813 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.922 8.664 -6.336 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.335 7.558 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.680 8.197 -5.151 1.00 0.00 H new ATOM 1053 N LEU A 68 9.148 11.022 -4.311 1.00 0.00 N ATOM 1054 CA LEU A 68 8.311 12.170 -4.643 1.00 0.00 C ATOM 1055 C LEU A 68 8.800 13.425 -3.927 1.00 0.00 C ATOM 1056 O LEU A 68 8.020 14.134 -3.293 1.00 0.00 O ATOM 1057 CB LEU A 68 6.855 11.889 -4.267 1.00 0.00 C ATOM 1058 CG LEU A 68 6.241 10.622 -4.863 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.843 10.394 -4.307 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.205 10.709 -6.382 1.00 0.00 C ATOM 0 H LEU A 68 8.732 10.376 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 68 8.377 12.338 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.787 11.826 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.250 12.742 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 68 6.865 9.773 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.422 9.488 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.895 10.286 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.209 11.245 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.765 9.798 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.605 11.568 -6.683 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.219 10.823 -6.764 1.00 0.00 H new ATOM 1072 N GLY A 69 10.097 13.695 -4.036 1.00 0.00 N ATOM 1073 CA GLY A 69 10.667 14.867 -3.396 1.00 0.00 C ATOM 1074 C GLY A 69 9.830 16.111 -3.614 1.00 0.00 C ATOM 1075 O GLY A 69 9.143 16.573 -2.702 1.00 0.00 O ATOM 0 H GLY A 69 10.763 13.124 -4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.765 14.682 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.672 15.036 -3.783 1.00 0.00 H new ATOM 1079 N ASP A 70 9.888 16.657 -4.824 1.00 0.00 N ATOM 1080 CA ASP A 70 9.130 17.857 -5.159 1.00 0.00 C ATOM 1081 C ASP A 70 8.047 17.546 -6.187 1.00 0.00 C ATOM 1082 O ASP A 70 7.925 18.231 -7.202 1.00 0.00 O ATOM 1083 CB ASP A 70 10.063 18.943 -5.695 1.00 0.00 C ATOM 1084 CG ASP A 70 9.499 20.337 -5.506 1.00 0.00 C ATOM 1085 OD1 ASP A 70 8.607 20.727 -6.288 1.00 0.00 O ATOM 1086 OD2 ASP A 70 9.949 21.038 -4.575 1.00 0.00 O ATOM 0 H ASP A 70 10.452 16.287 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 70 8.650 18.219 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.026 18.872 -5.189 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.246 18.769 -6.755 1.00 0.00 H new ATOM 1091 N SER A 71 7.262 16.507 -5.918 1.00 0.00 N ATOM 1092 CA SER A 71 6.193 16.102 -6.822 1.00 0.00 C ATOM 1093 C SER A 71 4.887 16.808 -6.469 1.00 0.00 C ATOM 1094 O SER A 71 4.526 16.921 -5.298 1.00 0.00 O ATOM 1095 CB SER A 71 5.997 14.585 -6.767 1.00 0.00 C ATOM 1096 OG SER A 71 7.186 13.904 -7.127 1.00 0.00 O ATOM 0 H SER A 71 7.347 15.931 -5.081 1.00 0.00 H new ATOM 0 HA SER A 71 6.479 16.388 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.696 14.290 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.190 14.295 -7.440 1.00 0.00 H new ATOM 0 HG SER A 71 6.959 13.046 -7.542 1.00 0.00 H new ATOM 1102 N SER A 72 4.183 17.281 -7.492 1.00 0.00 N ATOM 1103 CA SER A 72 2.918 17.980 -7.292 1.00 0.00 C ATOM 1104 C SER A 72 1.878 17.053 -6.672 1.00 0.00 C ATOM 1105 O SER A 72 1.895 15.838 -6.870 1.00 0.00 O ATOM 1106 CB SER A 72 2.400 18.531 -8.621 1.00 0.00 C ATOM 1107 OG SER A 72 2.896 19.837 -8.860 1.00 0.00 O ATOM 0 H SER A 72 4.467 17.193 -8.468 1.00 0.00 H new ATOM 0 HA SER A 72 3.094 18.810 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.700 17.870 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.310 18.549 -8.611 1.00 0.00 H new ATOM 0 HG SER A 72 2.552 20.166 -9.716 1.00 0.00 H new ATOM 1113 N PRO A 73 0.948 17.638 -5.902 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.118 16.884 -5.237 1.00 0.00 C ATOM 1115 C PRO A 73 -1.142 16.335 -6.224 1.00 0.00 C ATOM 1116 O PRO A 73 -1.471 15.149 -6.196 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.766 17.923 -4.317 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.475 19.234 -4.962 1.00 0.00 C ATOM 1119 CD PRO A 73 0.867 19.082 -5.622 1.00 0.00 C ATOM 0 HA PRO A 73 0.267 16.010 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.839 17.756 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.349 17.876 -3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.243 19.488 -5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.459 20.037 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.935 19.673 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.676 19.411 -4.969 1.00 0.00 H new ATOM 1127 N SER A 74 -1.642 17.204 -7.097 1.00 0.00 N ATOM 1128 CA SER A 74 -2.631 16.806 -8.091 1.00 0.00 C ATOM 1129 C SER A 74 -2.120 15.636 -8.927 1.00 0.00 C ATOM 1130 O SER A 74 -2.840 14.665 -9.159 1.00 0.00 O ATOM 1131 CB SER A 74 -2.974 17.987 -9.002 1.00 0.00 C ATOM 1132 OG SER A 74 -4.075 17.682 -9.840 1.00 0.00 O ATOM 0 H SER A 74 -1.378 18.188 -7.136 1.00 0.00 H new ATOM 0 HA SER A 74 -3.531 16.489 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.206 18.863 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.108 18.243 -9.613 1.00 0.00 H new ATOM 0 HG SER A 74 -4.275 18.453 -10.411 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.874 15.739 -9.377 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.267 14.690 -10.188 1.00 0.00 C ATOM 1140 C GLN A 75 -0.272 13.357 -9.448 1.00 0.00 C ATOM 1141 O GLN A 75 -0.291 12.293 -10.065 1.00 0.00 O ATOM 1142 CB GLN A 75 1.166 15.072 -10.565 1.00 0.00 C ATOM 1143 CG GLN A 75 1.248 16.211 -11.568 1.00 0.00 C ATOM 1144 CD GLN A 75 1.017 15.751 -12.994 1.00 0.00 C ATOM 1145 OE1 GLN A 75 0.433 14.693 -13.230 1.00 0.00 O ATOM 1146 NE2 GLN A 75 1.474 16.546 -13.954 1.00 0.00 N ATOM 0 H GLN A 75 -0.266 16.537 -9.194 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.858 14.582 -11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.707 15.354 -9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.669 14.198 -10.978 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.509 16.970 -11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.228 16.683 -11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.952 17.414 -13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.347 16.289 -14.933 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.255 13.423 -8.120 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.259 12.221 -7.295 1.00 0.00 C ATOM 1157 C ALA A 76 -1.675 11.684 -7.116 1.00 0.00 C ATOM 1158 O ALA A 76 -1.871 10.491 -6.885 1.00 0.00 O ATOM 1159 CB ALA A 76 0.374 12.508 -5.942 1.00 0.00 C ATOM 0 H ALA A 76 -0.238 14.296 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 76 0.329 11.458 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.364 11.602 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.403 12.838 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.191 13.290 -5.434 1.00 0.00 H new ATOM 1165 N MET A 77 -2.658 12.572 -7.223 1.00 0.00 N ATOM 1166 CA MET A 77 -4.056 12.185 -7.073 1.00 0.00 C ATOM 1167 C MET A 77 -4.577 11.525 -8.346 1.00 0.00 C ATOM 1168 O MET A 77 -5.427 10.637 -8.291 1.00 0.00 O ATOM 1169 CB MET A 77 -4.911 13.407 -6.731 1.00 0.00 C ATOM 1170 CG MET A 77 -4.504 14.090 -5.436 1.00 0.00 C ATOM 1171 SD MET A 77 -5.830 15.088 -4.731 1.00 0.00 S ATOM 1172 CE MET A 77 -4.966 16.625 -4.415 1.00 0.00 C ATOM 0 H MET A 77 -2.513 13.564 -7.413 1.00 0.00 H new ATOM 0 HA MET A 77 -4.123 11.464 -6.258 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.846 14.126 -7.548 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.955 13.101 -6.658 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.199 13.335 -4.712 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.637 14.724 -5.621 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.655 17.346 -3.977 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.142 16.444 -3.724 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.574 17.021 -5.352 1.00 0.00 H new ATOM 1182 N GLN A 78 -4.063 11.966 -9.489 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.478 11.418 -10.775 1.00 0.00 C ATOM 1184 C GLN A 78 -4.201 9.920 -10.843 1.00 0.00 C ATOM 1185 O GLN A 78 -5.098 9.126 -11.125 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.755 12.135 -11.916 1.00 0.00 C ATOM 1187 CG GLN A 78 -4.120 13.605 -12.040 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.951 14.132 -13.451 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -4.894 14.956 -13.893 1.00 0.00 O flip ATOM 1190 NE2 GLN A 78 -2.983 13.803 -14.137 1.00 0.00 N flip ATOM 0 H GLN A 78 -3.359 12.701 -9.551 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.552 11.575 -10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.679 12.048 -11.764 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.986 11.632 -12.855 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.154 13.746 -11.725 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.497 14.188 -11.362 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.282 13.167 -13.758 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.882 14.166 -15.085 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.953 9.541 -10.583 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.559 8.138 -10.617 1.00 0.00 C ATOM 1201 C GLU A 79 -3.240 7.354 -9.498 1.00 0.00 C ATOM 1202 O GLU A 79 -3.733 6.247 -9.713 1.00 0.00 O ATOM 1203 CB GLU A 79 -1.039 8.009 -10.492 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.275 8.716 -11.599 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.588 8.155 -12.973 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -0.244 6.982 -13.228 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -1.176 8.891 -13.793 1.00 0.00 O ATOM 0 H GLU A 79 -2.199 10.186 -10.347 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.875 7.722 -11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.726 8.415 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.771 6.952 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.516 9.779 -11.581 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.795 8.629 -11.410 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.264 7.937 -8.305 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.882 7.294 -7.152 1.00 0.00 C ATOM 1216 C TYR A 80 -5.315 6.874 -7.465 1.00 0.00 C ATOM 1217 O TYR A 80 -5.780 5.828 -7.011 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.866 8.235 -5.947 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.506 7.647 -4.710 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.868 7.372 -4.673 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.751 7.367 -3.578 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.458 6.834 -3.545 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.332 6.829 -2.447 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.686 6.564 -2.435 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.269 6.029 -1.309 1.00 0.00 O ATOM 0 H TYR A 80 -2.862 8.854 -8.111 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.305 6.401 -6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.834 8.503 -5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.384 9.157 -6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.476 7.582 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.691 7.574 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.518 6.626 -3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.730 6.617 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.587 5.898 -0.618 1.00 0.00 H new ATOM 1235 N ILE A 81 -6.008 7.697 -8.244 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.387 7.412 -8.620 1.00 0.00 C ATOM 1237 C ILE A 81 -7.447 6.446 -9.798 1.00 0.00 C ATOM 1238 O ILE A 81 -7.918 5.317 -9.665 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.149 8.699 -8.987 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.692 9.374 -7.726 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.279 8.388 -9.956 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.793 10.879 -7.841 1.00 0.00 C ATOM 0 H ILE A 81 -5.637 8.567 -8.627 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.862 6.954 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.457 9.386 -9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.679 8.968 -7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -8.047 9.125 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.808 9.308 -10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.868 7.948 -10.865 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.972 7.685 -9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.185 11.289 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.805 11.296 -8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.462 11.137 -8.662 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.965 6.897 -10.952 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.960 6.072 -12.153 1.00 0.00 C ATOM 1256 C ALA A 82 -6.771 4.599 -11.806 1.00 0.00 C ATOM 1257 O ALA A 82 -7.595 3.756 -12.162 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.869 6.535 -13.107 1.00 0.00 C ATOM 0 H ALA A 82 -6.573 7.830 -11.080 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.927 6.182 -12.643 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.877 5.910 -14.000 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.048 7.572 -13.389 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.899 6.455 -12.617 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.681 4.294 -11.109 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.384 2.923 -10.714 1.00 0.00 C ATOM 1266 C VAL A 83 -6.623 2.232 -10.154 1.00 0.00 C ATOM 1267 O VAL A 83 -7.034 1.179 -10.641 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.262 2.872 -9.660 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.512 3.896 -8.563 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.141 1.472 -9.078 1.00 0.00 C ATOM 0 H VAL A 83 -4.989 4.979 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.053 2.400 -11.611 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.319 3.121 -10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.709 3.845 -7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.543 4.895 -8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.464 3.683 -8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.344 1.454 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.083 1.191 -8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.910 0.765 -9.875 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.215 2.834 -9.127 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.409 2.278 -8.500 1.00 0.00 C ATOM 1282 C VAL A 84 -9.473 1.947 -9.541 1.00 0.00 C ATOM 1283 O VAL A 84 -10.347 1.112 -9.309 1.00 0.00 O ATOM 1284 CB VAL A 84 -9.004 3.251 -7.465 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.898 3.986 -6.725 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.950 4.233 -8.140 1.00 0.00 C ATOM 0 H VAL A 84 -6.888 3.706 -8.712 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.104 1.363 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.574 2.675 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.338 4.669 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.264 3.265 -6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.297 4.552 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.361 4.913 -7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.405 4.805 -8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.762 3.686 -8.619 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.392 2.608 -10.691 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.347 2.384 -11.771 1.00 0.00 C ATOM 1298 C LYS A 85 -10.014 1.106 -12.534 1.00 0.00 C ATOM 1299 O LYS A 85 -10.908 0.360 -12.936 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.352 3.576 -12.730 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.462 4.920 -12.029 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.612 6.057 -13.025 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.995 6.065 -13.659 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.272 7.344 -14.370 1.00 0.00 N ATOM 0 H LYS A 85 -8.675 3.303 -10.899 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.338 2.276 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.437 3.559 -13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.185 3.469 -13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.318 4.911 -11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.576 5.086 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.436 7.008 -12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.855 5.963 -13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.078 5.234 -14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.749 5.908 -12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.224 7.310 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.218 8.134 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.568 7.482 -15.123 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.724 0.858 -12.731 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.272 -0.331 -13.443 1.00 0.00 C ATOM 1320 C LYS A 86 -8.647 -1.598 -12.680 1.00 0.00 C ATOM 1321 O LYS A 86 -8.871 -2.651 -13.278 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.758 -0.280 -13.655 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.322 0.746 -14.687 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.914 2.056 -14.033 1.00 0.00 C ATOM 1325 CE LYS A 86 -6.238 3.247 -14.921 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.251 3.401 -16.025 1.00 0.00 N ATOM 0 H LYS A 86 -7.972 1.466 -12.407 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.768 -0.352 -14.414 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.274 -0.055 -12.705 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.410 -1.265 -13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.486 0.350 -15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.136 0.927 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.428 2.163 -13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.845 2.040 -13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.236 3.126 -15.341 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.254 4.155 -14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.507 4.224 -16.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.302 3.542 -15.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.254 2.545 -16.615 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.714 -1.488 -11.358 1.00 0.00 N ATOM 1341 CA LEU A 87 -9.064 -2.625 -10.513 1.00 0.00 C ATOM 1342 C LEU A 87 -10.572 -2.850 -10.500 1.00 0.00 C ATOM 1343 O LEU A 87 -11.040 -3.988 -10.546 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.558 -2.400 -9.087 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.205 -1.699 -8.958 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -7.000 -1.194 -7.538 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -6.077 -2.638 -9.361 1.00 0.00 C ATOM 0 H LEU A 87 -8.531 -0.624 -10.848 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.587 -3.514 -10.926 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.302 -1.814 -8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.492 -3.367 -8.589 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.195 -0.842 -9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.032 -0.698 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.790 -0.487 -7.286 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.030 -2.035 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.122 -2.122 -9.263 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.084 -3.515 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.216 -2.951 -10.396 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.328 -1.759 -10.440 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.784 -1.837 -10.424 1.00 0.00 C ATOM 1361 C ASP A 88 -13.393 -0.822 -11.386 1.00 0.00 C ATOM 1362 O ASP A 88 -13.607 0.342 -11.045 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.314 -1.600 -9.009 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.819 -1.753 -8.921 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.519 -1.270 -9.836 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.299 -2.354 -7.937 1.00 0.00 O ATOM 0 H ASP A 88 -10.956 -0.810 -10.402 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.073 -2.837 -10.748 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.840 -2.303 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.034 -0.599 -8.682 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.678 -1.270 -12.618 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.265 -0.416 -13.654 1.00 0.00 C ATOM 1373 C PRO A 89 -15.712 -0.044 -13.348 1.00 0.00 C ATOM 1374 O PRO A 89 -16.314 0.772 -14.044 1.00 0.00 O ATOM 1375 CB PRO A 89 -14.191 -1.283 -14.913 1.00 0.00 C ATOM 1376 CG PRO A 89 -14.179 -2.685 -14.407 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.449 -2.644 -13.093 1.00 0.00 C ATOM 0 HA PRO A 89 -13.740 0.535 -13.743 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -15.045 -1.105 -15.567 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.294 -1.064 -15.493 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.194 -3.062 -14.278 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.679 -3.350 -15.111 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.841 -3.382 -12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.387 -2.855 -13.217 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.265 -0.650 -12.301 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.637 -0.369 -11.921 1.00 0.00 C ATOM 1387 C GLY A 90 -17.736 0.701 -10.852 1.00 0.00 C ATOM 1388 O GLY A 90 -18.478 0.551 -9.881 1.00 0.00 O ATOM 0 H GLY A 90 -15.787 -1.330 -11.710 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -18.197 -0.052 -12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.105 -1.284 -11.559 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.985 1.782 -11.028 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.990 2.880 -10.069 1.00 0.00 C ATOM 1394 C TRP A 91 -17.275 4.208 -10.763 1.00 0.00 C ATOM 1395 O TRP A 91 -16.593 4.579 -11.716 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.649 2.951 -9.337 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.496 4.182 -8.495 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.373 4.648 -7.558 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.400 5.103 -8.515 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.889 5.804 -6.995 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.680 6.104 -7.564 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.210 5.180 -9.242 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.813 7.166 -7.325 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.350 6.235 -9.004 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.654 7.216 -8.051 1.00 0.00 C ATOM 0 H TRP A 91 -16.365 1.922 -11.826 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.782 2.693 -9.344 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.542 2.071 -8.703 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.842 2.917 -10.069 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.309 4.177 -7.298 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.355 6.350 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.966 4.428 -9.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -14.047 7.924 -6.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.428 6.305 -9.562 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.960 8.027 -7.886 1.00 0.00 H new