USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 86 LYS NZ :NH3+ -156:sc= -0.101 (180deg=-0.881) USER MOD Set 1.2: A 88 MET CE :methyl -155:sc= -1.64 (180deg=-3.64!) USER MOD Set 2.1: A 69 TYR OH : rot -171:sc= -0.322 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -0.283 X(o=-0.6,f=-0.33) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -140:sc= -0.316 (180deg=-2.26!) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= -0.744 (180deg=-1.35) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -0.0859 (180deg=-0.545) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 130:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.769 6.034 -4.249 1.00 0.00 N ATOM 98 CA VAL A 10 -1.566 5.330 -3.250 1.00 0.00 C ATOM 99 C VAL A 10 -2.150 4.043 -3.821 1.00 0.00 C ATOM 100 O VAL A 10 -2.989 4.075 -4.722 1.00 0.00 O ATOM 101 CB VAL A 10 -2.713 6.213 -2.725 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.664 6.582 -3.854 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.456 5.507 -1.601 1.00 0.00 C ATOM 0 HA VAL A 10 -0.897 5.087 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.286 7.134 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.468 7.206 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.120 7.130 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.086 5.674 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.263 6.145 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.872 4.570 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.766 5.299 -0.783 1.00 0.00 H new ATOM 113 N LEU A 11 -1.701 2.911 -3.292 1.00 0.00 N ATOM 114 CA LEU A 11 -2.179 1.610 -3.748 1.00 0.00 C ATOM 115 C LEU A 11 -3.366 1.143 -2.912 1.00 0.00 C ATOM 116 O LEU A 11 -3.214 0.791 -1.742 1.00 0.00 O ATOM 117 CB LEU A 11 -1.053 0.577 -3.677 1.00 0.00 C ATOM 118 CG LEU A 11 -1.487 -0.877 -3.489 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.122 -1.414 -4.763 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.302 -1.738 -3.078 1.00 0.00 C ATOM 0 H LEU A 11 -1.006 2.867 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.505 1.713 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.467 0.645 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.391 0.847 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.231 -0.914 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.424 -2.450 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.997 -0.814 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.401 -1.363 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.629 -2.770 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.465 -1.695 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.109 -1.367 -2.139 1.00 0.00 H new ATOM 132 N ASP A 12 -4.547 1.140 -3.521 1.00 0.00 N ATOM 133 CA ASP A 12 -5.760 0.712 -2.834 1.00 0.00 C ATOM 134 C ASP A 12 -5.757 -0.797 -2.614 1.00 0.00 C ATOM 135 O ASP A 12 -5.919 -1.573 -3.557 1.00 0.00 O ATOM 136 CB ASP A 12 -6.997 1.121 -3.635 1.00 0.00 C ATOM 137 CG ASP A 12 -7.215 0.242 -4.851 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.452 0.381 -5.829 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.150 -0.586 -4.824 1.00 0.00 O ATOM 0 H ASP A 12 -4.690 1.429 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.789 1.202 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.876 1.071 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.894 2.158 -3.954 1.00 0.00 H new ATOM 144 N LEU A 13 -5.571 -1.208 -1.365 1.00 0.00 N ATOM 145 CA LEU A 13 -5.546 -2.625 -1.021 1.00 0.00 C ATOM 146 C LEU A 13 -6.932 -3.110 -0.608 1.00 0.00 C ATOM 147 O LEU A 13 -7.262 -4.286 -0.765 1.00 0.00 O ATOM 148 CB LEU A 13 -4.547 -2.879 0.110 1.00 0.00 C ATOM 149 CG LEU A 13 -3.068 -2.794 -0.270 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.190 -3.068 0.941 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.750 -3.768 -1.394 1.00 0.00 C ATOM 0 H LEU A 13 -5.435 -0.580 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.234 -3.182 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.739 -2.160 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.739 -3.869 0.522 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.860 -1.784 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.141 -3.003 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.399 -2.331 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.400 -4.067 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.693 -3.694 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.974 -4.784 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.354 -3.525 -2.268 1.00 0.00 H new ATOM 163 N HIS A 14 -7.741 -2.196 -0.081 1.00 0.00 N ATOM 164 CA HIS A 14 -9.093 -2.530 0.351 1.00 0.00 C ATOM 165 C HIS A 14 -9.884 -3.171 -0.785 1.00 0.00 C ATOM 166 O HIS A 14 -9.998 -2.605 -1.871 1.00 0.00 O ATOM 167 CB HIS A 14 -9.816 -1.278 0.850 1.00 0.00 C ATOM 168 CG HIS A 14 -11.308 -1.403 0.836 1.00 0.00 C ATOM 169 ND1 HIS A 14 -12.097 -0.890 -0.173 1.00 0.00 N ATOM 170 CD2 HIS A 14 -12.156 -1.988 1.714 1.00 0.00 C ATOM 171 CE1 HIS A 14 -13.365 -1.153 0.087 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.428 -1.818 1.226 1.00 0.00 N ATOM 0 H HIS A 14 -7.483 -1.219 0.057 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.020 -3.248 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.487 -1.059 1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.525 -0.429 0.231 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.883 -2.494 2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -14.207 -0.872 -0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.283 -2.151 1.671 1.00 0.00 H new ATOM 180 N GLY A 15 -10.429 -4.356 -0.526 1.00 0.00 N ATOM 181 CA GLY A 15 -11.202 -5.053 -1.537 1.00 0.00 C ATOM 182 C GLY A 15 -10.573 -6.373 -1.939 1.00 0.00 C ATOM 183 O GLY A 15 -11.277 -7.339 -2.237 1.00 0.00 O ATOM 0 H GLY A 15 -10.349 -4.845 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.209 -5.233 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.300 -4.418 -2.417 1.00 0.00 H new ATOM 187 N LEU A 16 -9.246 -6.414 -1.950 1.00 0.00 N ATOM 188 CA LEU A 16 -8.521 -7.625 -2.321 1.00 0.00 C ATOM 189 C LEU A 16 -8.417 -8.581 -1.138 1.00 0.00 C ATOM 190 O LEU A 16 -8.877 -8.276 -0.037 1.00 0.00 O ATOM 191 CB LEU A 16 -7.123 -7.271 -2.830 1.00 0.00 C ATOM 192 CG LEU A 16 -7.035 -6.806 -4.284 1.00 0.00 C ATOM 193 CD1 LEU A 16 -5.862 -5.856 -4.471 1.00 0.00 C ATOM 194 CD2 LEU A 16 -6.910 -8.001 -5.218 1.00 0.00 C ATOM 0 H LEU A 16 -8.649 -5.623 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.076 -8.121 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.714 -6.486 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.482 -8.145 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.952 -6.271 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.815 -5.536 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.993 -4.985 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.935 -6.365 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.849 -7.652 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.010 -8.563 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.782 -8.645 -5.104 1.00 0.00 H new ATOM 206 N HIS A 17 -7.808 -9.740 -1.371 1.00 0.00 N ATOM 207 CA HIS A 17 -7.641 -10.740 -0.323 1.00 0.00 C ATOM 208 C HIS A 17 -6.254 -10.643 0.305 1.00 0.00 C ATOM 209 O HIS A 17 -5.270 -10.358 -0.379 1.00 0.00 O ATOM 210 CB HIS A 17 -7.861 -12.144 -0.889 1.00 0.00 C ATOM 211 CG HIS A 17 -8.172 -13.169 0.158 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.368 -14.263 0.402 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.205 -13.262 1.027 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.894 -14.985 1.375 1.00 0.00 C ATOM 215 NE2 HIS A 17 -9.010 -14.399 1.772 1.00 0.00 N ATOM 0 H HIS A 17 -7.422 -10.009 -2.276 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.384 -10.548 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.678 -12.113 -1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.968 -12.452 -1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.030 -12.571 1.118 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.482 -15.899 1.778 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.626 -14.736 2.511 1.00 0.00 H new ATOM 223 N VAL A 18 -6.182 -10.881 1.610 1.00 0.00 N ATOM 224 CA VAL A 18 -4.915 -10.821 2.330 1.00 0.00 C ATOM 225 C VAL A 18 -3.764 -11.308 1.458 1.00 0.00 C ATOM 226 O VAL A 18 -2.859 -10.543 1.122 1.00 0.00 O ATOM 227 CB VAL A 18 -4.961 -11.664 3.618 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.570 -11.796 4.220 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.929 -11.053 4.620 1.00 0.00 C ATOM 0 H VAL A 18 -6.986 -11.117 2.191 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.750 -9.776 2.594 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.318 -12.663 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.622 -12.395 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.908 -12.282 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.182 -10.806 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.949 -11.661 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.605 -10.043 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.928 -11.016 4.185 1.00 0.00 H new ATOM 239 N ASP A 19 -3.804 -12.585 1.093 1.00 0.00 N ATOM 240 CA ASP A 19 -2.765 -13.174 0.257 1.00 0.00 C ATOM 241 C ASP A 19 -2.435 -12.265 -0.923 1.00 0.00 C ATOM 242 O ASP A 19 -1.272 -12.111 -1.293 1.00 0.00 O ATOM 243 CB ASP A 19 -3.206 -14.548 -0.249 1.00 0.00 C ATOM 244 CG ASP A 19 -3.024 -15.635 0.792 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.863 -15.926 1.148 1.00 0.00 O ATOM 246 OD2 ASP A 19 -4.042 -16.196 1.249 1.00 0.00 O ATOM 0 H ASP A 19 -4.545 -13.232 1.363 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.867 -13.290 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.254 -14.504 -0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.634 -14.804 -1.141 1.00 0.00 H new ATOM 251 N GLU A 20 -3.467 -11.667 -1.509 1.00 0.00 N ATOM 252 CA GLU A 20 -3.286 -10.774 -2.648 1.00 0.00 C ATOM 253 C GLU A 20 -2.651 -9.457 -2.212 1.00 0.00 C ATOM 254 O GLU A 20 -1.523 -9.145 -2.589 1.00 0.00 O ATOM 255 CB GLU A 20 -4.628 -10.505 -3.331 1.00 0.00 C ATOM 256 CG GLU A 20 -5.031 -11.579 -4.327 1.00 0.00 C ATOM 257 CD GLU A 20 -5.834 -12.696 -3.689 1.00 0.00 C ATOM 258 OE1 GLU A 20 -5.217 -13.648 -3.167 1.00 0.00 O ATOM 259 OE2 GLU A 20 -7.080 -12.616 -3.710 1.00 0.00 O ATOM 0 H GLU A 20 -4.436 -11.784 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.617 -11.262 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.403 -10.419 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.578 -9.545 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.618 -11.126 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.135 -11.997 -4.786 1.00 0.00 H new ATOM 266 N ALA A 21 -3.386 -8.688 -1.414 1.00 0.00 N ATOM 267 CA ALA A 21 -2.896 -7.406 -0.925 1.00 0.00 C ATOM 268 C ALA A 21 -1.398 -7.463 -0.642 1.00 0.00 C ATOM 269 O ALA A 21 -0.675 -6.493 -0.872 1.00 0.00 O ATOM 270 CB ALA A 21 -3.656 -6.992 0.325 1.00 0.00 C ATOM 0 H ALA A 21 -4.323 -8.932 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.064 -6.660 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.279 -6.032 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.717 -6.902 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.518 -7.745 1.101 1.00 0.00 H new ATOM 276 N LEU A 22 -0.939 -8.604 -0.140 1.00 0.00 N ATOM 277 CA LEU A 22 0.473 -8.787 0.177 1.00 0.00 C ATOM 278 C LEU A 22 1.326 -8.730 -1.087 1.00 0.00 C ATOM 279 O LEU A 22 2.222 -7.895 -1.205 1.00 0.00 O ATOM 280 CB LEU A 22 0.687 -10.123 0.890 1.00 0.00 C ATOM 281 CG LEU A 22 0.460 -10.121 2.402 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.529 -11.536 2.955 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.479 -9.226 3.093 1.00 0.00 C ATOM 0 H LEU A 22 -1.524 -9.416 0.056 1.00 0.00 H new ATOM 0 HA LEU A 22 0.780 -7.976 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.020 -10.861 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.707 -10.456 0.696 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.536 -9.724 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.365 -11.514 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.239 -12.149 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.511 -11.961 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.302 -9.237 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.485 -9.593 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.381 -8.207 2.719 1.00 0.00 H new ATOM 295 N GLU A 23 1.039 -9.623 -2.029 1.00 0.00 N ATOM 296 CA GLU A 23 1.779 -9.673 -3.284 1.00 0.00 C ATOM 297 C GLU A 23 1.896 -8.282 -3.902 1.00 0.00 C ATOM 298 O GLU A 23 2.970 -7.877 -4.349 1.00 0.00 O ATOM 299 CB GLU A 23 1.096 -10.624 -4.268 1.00 0.00 C ATOM 300 CG GLU A 23 0.098 -9.937 -5.186 1.00 0.00 C ATOM 301 CD GLU A 23 -0.479 -10.876 -6.228 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.143 -11.859 -5.836 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.266 -10.629 -7.433 1.00 0.00 O ATOM 0 H GLU A 23 0.300 -10.321 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 23 2.782 -10.043 -3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.858 -11.114 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.583 -11.406 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.713 -9.521 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.586 -9.101 -5.687 1.00 0.00 H new ATOM 310 N HIS A 24 0.783 -7.556 -3.925 1.00 0.00 N ATOM 311 CA HIS A 24 0.760 -6.210 -4.488 1.00 0.00 C ATOM 312 C HIS A 24 1.749 -5.301 -3.765 1.00 0.00 C ATOM 313 O HIS A 24 2.528 -4.586 -4.397 1.00 0.00 O ATOM 314 CB HIS A 24 -0.649 -5.622 -4.400 1.00 0.00 C ATOM 315 CG HIS A 24 -1.500 -5.925 -5.595 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.421 -5.216 -6.774 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.451 -6.869 -5.788 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.288 -5.709 -7.641 1.00 0.00 C ATOM 319 NE2 HIS A 24 -2.925 -6.714 -7.067 1.00 0.00 N ATOM 0 H HIS A 24 -0.114 -7.876 -3.561 1.00 0.00 H new ATOM 0 HA HIS A 24 1.054 -6.276 -5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.140 -6.009 -3.507 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.576 -4.541 -4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.776 -7.607 -5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.448 -5.351 -8.647 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.651 -7.282 -7.503 1.00 0.00 H new ATOM 327 N LEU A 25 1.713 -5.333 -2.437 1.00 0.00 N ATOM 328 CA LEU A 25 2.606 -4.512 -1.628 1.00 0.00 C ATOM 329 C LEU A 25 4.065 -4.782 -1.982 1.00 0.00 C ATOM 330 O LEU A 25 4.879 -3.861 -2.047 1.00 0.00 O ATOM 331 CB LEU A 25 2.372 -4.782 -0.140 1.00 0.00 C ATOM 332 CG LEU A 25 3.280 -4.027 0.831 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.658 -2.694 1.216 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.553 -4.868 2.069 1.00 0.00 C ATOM 0 H LEU A 25 1.075 -5.919 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 25 2.388 -3.465 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.337 -4.534 0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.492 -5.851 0.038 1.00 0.00 H new ATOM 0 HG LEU A 25 4.230 -3.831 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.318 -2.171 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.515 -2.087 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.694 -2.867 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.201 -4.315 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.612 -5.095 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.042 -5.797 1.777 1.00 0.00 H new ATOM 346 N MET A 26 4.388 -6.051 -2.211 1.00 0.00 N ATOM 347 CA MET A 26 5.748 -6.441 -2.561 1.00 0.00 C ATOM 348 C MET A 26 6.122 -5.924 -3.947 1.00 0.00 C ATOM 349 O MET A 26 7.211 -5.385 -4.145 1.00 0.00 O ATOM 350 CB MET A 26 5.892 -7.964 -2.517 1.00 0.00 C ATOM 351 CG MET A 26 5.553 -8.567 -1.163 1.00 0.00 C ATOM 352 SD MET A 26 6.043 -10.297 -1.031 1.00 0.00 S ATOM 353 CE MET A 26 4.443 -11.102 -1.028 1.00 0.00 C ATOM 0 H MET A 26 3.727 -6.826 -2.160 1.00 0.00 H new ATOM 0 HA MET A 26 6.426 -5.998 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.243 -8.404 -3.274 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.916 -8.232 -2.779 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.048 -7.993 -0.380 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.480 -8.483 -0.991 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.450 -11.922 -0.310 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.674 -10.382 -0.749 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.230 -11.492 -2.023 1.00 0.00 H new ATOM 363 N ARG A 27 5.213 -6.092 -4.902 1.00 0.00 N ATOM 364 CA ARG A 27 5.449 -5.644 -6.269 1.00 0.00 C ATOM 365 C ARG A 27 5.478 -4.120 -6.343 1.00 0.00 C ATOM 366 O ARG A 27 6.496 -3.524 -6.696 1.00 0.00 O ATOM 367 CB ARG A 27 4.366 -6.190 -7.201 1.00 0.00 C ATOM 368 CG ARG A 27 4.675 -7.574 -7.748 1.00 0.00 C ATOM 369 CD ARG A 27 5.452 -7.497 -9.052 1.00 0.00 C ATOM 370 NE ARG A 27 5.546 -8.797 -9.711 1.00 0.00 N ATOM 371 CZ ARG A 27 5.744 -8.947 -11.016 1.00 0.00 C ATOM 372 NH1 ARG A 27 5.869 -7.883 -11.797 1.00 0.00 N ATOM 373 NH2 ARG A 27 5.817 -10.163 -11.542 1.00 0.00 N ATOM 0 H ARG A 27 4.306 -6.535 -4.754 1.00 0.00 H new ATOM 0 HA ARG A 27 6.419 -6.025 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.419 -6.224 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.234 -5.500 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.251 -8.137 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.745 -8.119 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.968 -6.786 -9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.455 -7.117 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 27 5.455 -9.636 -9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.813 -6.947 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.021 -8.001 -12.799 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.721 -10.984 -10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.969 -10.277 -12.544 1.00 0.00 H new ATOM 387 N VAL A 28 4.353 -3.494 -6.009 1.00 0.00 N ATOM 388 CA VAL A 28 4.250 -2.040 -6.038 1.00 0.00 C ATOM 389 C VAL A 28 5.450 -1.391 -5.358 1.00 0.00 C ATOM 390 O VAL A 28 5.832 -0.267 -5.689 1.00 0.00 O ATOM 391 CB VAL A 28 2.960 -1.556 -5.349 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.737 -2.169 -6.014 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.992 -1.886 -3.865 1.00 0.00 C ATOM 0 H VAL A 28 3.501 -3.971 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 28 4.226 -1.744 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 28 2.897 -0.473 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.835 -1.816 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.708 -1.876 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.790 -3.255 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.073 -1.537 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.080 -2.965 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.847 -1.394 -3.401 1.00 0.00 H new ATOM 403 N LEU A 29 6.043 -2.104 -4.408 1.00 0.00 N ATOM 404 CA LEU A 29 7.202 -1.598 -3.681 1.00 0.00 C ATOM 405 C LEU A 29 8.427 -1.533 -4.587 1.00 0.00 C ATOM 406 O LEU A 29 9.257 -0.633 -4.460 1.00 0.00 O ATOM 407 CB LEU A 29 7.496 -2.484 -2.469 1.00 0.00 C ATOM 408 CG LEU A 29 6.817 -2.079 -1.160 1.00 0.00 C ATOM 409 CD1 LEU A 29 7.025 -3.147 -0.098 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.346 -0.736 -0.679 1.00 0.00 C ATOM 0 H LEU A 29 5.740 -3.035 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 29 6.973 -0.589 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.197 -3.504 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.574 -2.497 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 29 5.747 -1.982 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.535 -2.841 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.598 -4.089 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.092 -3.277 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.852 -0.463 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.421 -0.807 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.145 0.025 -1.433 1.00 0.00 H new ATOM 422 N GLU A 30 8.532 -2.491 -5.502 1.00 0.00 N ATOM 423 CA GLU A 30 9.655 -2.541 -6.431 1.00 0.00 C ATOM 424 C GLU A 30 9.313 -1.832 -7.738 1.00 0.00 C ATOM 425 O GLU A 30 10.198 -1.374 -8.460 1.00 0.00 O ATOM 426 CB GLU A 30 10.048 -3.992 -6.713 1.00 0.00 C ATOM 427 CG GLU A 30 11.102 -4.534 -5.761 1.00 0.00 C ATOM 428 CD GLU A 30 11.791 -5.773 -6.298 1.00 0.00 C ATOM 429 OE1 GLU A 30 12.546 -5.652 -7.286 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.577 -6.864 -5.730 1.00 0.00 O ATOM 0 H GLU A 30 7.853 -3.243 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 30 10.498 -2.027 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.158 -4.619 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.421 -4.067 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.847 -3.761 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.636 -4.768 -4.804 1.00 0.00 H new ATOM 437 N LYS A 31 8.021 -1.745 -8.036 1.00 0.00 N ATOM 438 CA LYS A 31 7.558 -1.092 -9.255 1.00 0.00 C ATOM 439 C LYS A 31 7.429 0.414 -9.049 1.00 0.00 C ATOM 440 O LYS A 31 7.888 1.206 -9.873 1.00 0.00 O ATOM 441 CB LYS A 31 6.213 -1.675 -9.692 1.00 0.00 C ATOM 442 CG LYS A 31 5.737 -1.163 -11.041 1.00 0.00 C ATOM 443 CD LYS A 31 4.872 -2.189 -11.753 1.00 0.00 C ATOM 444 CE LYS A 31 5.709 -3.129 -12.606 1.00 0.00 C ATOM 445 NZ LYS A 31 6.506 -4.073 -11.774 1.00 0.00 N ATOM 0 H LYS A 31 7.275 -2.119 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 31 8.296 -1.273 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.294 -2.761 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.462 -1.439 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.171 -0.242 -10.902 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.598 -0.918 -11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.311 -2.766 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.143 -1.678 -12.382 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.056 -3.694 -13.271 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.380 -2.546 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.830 -4.867 -12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.330 -3.577 -11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.916 -4.436 -10.999 1.00 0.00 H new ATOM 459 N LYS A 32 6.802 0.804 -7.945 1.00 0.00 N ATOM 460 CA LYS A 32 6.614 2.215 -7.629 1.00 0.00 C ATOM 461 C LYS A 32 7.957 2.920 -7.466 1.00 0.00 C ATOM 462 O LYS A 32 8.140 4.045 -7.932 1.00 0.00 O ATOM 463 CB LYS A 32 5.788 2.367 -6.349 1.00 0.00 C ATOM 464 CG LYS A 32 4.393 1.774 -6.452 1.00 0.00 C ATOM 465 CD LYS A 32 3.438 2.717 -7.164 1.00 0.00 C ATOM 466 CE LYS A 32 2.028 2.147 -7.217 1.00 0.00 C ATOM 467 NZ LYS A 32 1.286 2.614 -8.420 1.00 0.00 N ATOM 0 H LYS A 32 6.415 0.162 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 32 6.078 2.678 -8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.318 1.888 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.707 3.426 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.438 0.826 -6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.014 1.557 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.424 3.678 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.795 2.902 -8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.076 1.058 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.484 2.439 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.330 2.204 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.217 3.652 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.791 2.313 -9.278 1.00 0.00 H new ATOM 481 N THR A 33 8.895 2.251 -6.803 1.00 0.00 N ATOM 482 CA THR A 33 10.221 2.812 -6.579 1.00 0.00 C ATOM 483 C THR A 33 10.899 3.164 -7.899 1.00 0.00 C ATOM 484 O THR A 33 11.755 4.046 -7.951 1.00 0.00 O ATOM 485 CB THR A 33 11.120 1.836 -5.797 1.00 0.00 C ATOM 486 OG1 THR A 33 12.391 2.443 -5.537 1.00 0.00 O ATOM 487 CG2 THR A 33 11.319 0.543 -6.573 1.00 0.00 C ATOM 0 H THR A 33 8.760 1.319 -6.411 1.00 0.00 H new ATOM 0 HA THR A 33 10.085 3.719 -5.990 1.00 0.00 H new ATOM 0 HB THR A 33 10.629 1.602 -4.852 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.957 1.817 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.957 -0.130 -6.001 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.353 0.069 -6.744 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.790 0.762 -7.531 1.00 0.00 H new ATOM 495 N GLU A 34 10.510 2.467 -8.962 1.00 0.00 N ATOM 496 CA GLU A 34 11.082 2.707 -10.282 1.00 0.00 C ATOM 497 C GLU A 34 10.932 4.172 -10.682 1.00 0.00 C ATOM 498 O GLU A 34 11.916 4.905 -10.772 1.00 0.00 O ATOM 499 CB GLU A 34 10.409 1.811 -11.324 1.00 0.00 C ATOM 500 CG GLU A 34 10.526 0.328 -11.018 1.00 0.00 C ATOM 501 CD GLU A 34 10.124 -0.544 -12.192 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.746 -0.415 -13.267 1.00 0.00 O ATOM 503 OE2 GLU A 34 9.186 -1.354 -12.036 1.00 0.00 O ATOM 0 H GLU A 34 9.802 1.733 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 34 12.144 2.467 -10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.354 2.077 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.852 2.008 -12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.554 0.099 -10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.898 0.087 -10.160 1.00 0.00 H new ATOM 510 N GLU A 35 9.693 4.591 -10.921 1.00 0.00 N ATOM 511 CA GLU A 35 9.415 5.968 -11.313 1.00 0.00 C ATOM 512 C GLU A 35 9.921 6.946 -10.257 1.00 0.00 C ATOM 513 O GLU A 35 10.327 8.064 -10.575 1.00 0.00 O ATOM 514 CB GLU A 35 7.913 6.166 -11.529 1.00 0.00 C ATOM 515 CG GLU A 35 7.345 5.328 -12.663 1.00 0.00 C ATOM 516 CD GLU A 35 8.097 5.523 -13.965 1.00 0.00 C ATOM 517 OE1 GLU A 35 8.631 6.631 -14.182 1.00 0.00 O ATOM 518 OE2 GLU A 35 8.152 4.567 -14.767 1.00 0.00 O ATOM 0 H GLU A 35 8.867 3.997 -10.850 1.00 0.00 H new ATOM 0 HA GLU A 35 9.939 6.166 -12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.386 5.919 -10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.720 7.219 -11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.377 4.275 -12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.296 5.586 -12.811 1.00 0.00 H new ATOM 525 N PHE A 36 9.894 6.518 -9.000 1.00 0.00 N ATOM 526 CA PHE A 36 10.349 7.356 -7.896 1.00 0.00 C ATOM 527 C PHE A 36 11.786 7.816 -8.119 1.00 0.00 C ATOM 528 O PHE A 36 12.128 8.971 -7.864 1.00 0.00 O ATOM 529 CB PHE A 36 10.244 6.595 -6.573 1.00 0.00 C ATOM 530 CG PHE A 36 11.281 7.000 -5.565 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.399 8.321 -5.165 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.139 6.059 -5.018 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.353 8.697 -4.237 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.094 6.429 -4.090 1.00 0.00 C ATOM 535 CZ PHE A 36 13.202 7.749 -3.700 1.00 0.00 C ATOM 0 H PHE A 36 9.562 5.595 -8.720 1.00 0.00 H new ATOM 0 HA PHE A 36 9.707 8.236 -7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.253 6.756 -6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.337 5.527 -6.769 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.738 9.066 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.060 5.025 -5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.434 9.730 -3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.756 5.686 -3.670 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.949 8.040 -2.976 1.00 0.00 H new ATOM 545 N LYS A 37 12.626 6.903 -8.596 1.00 0.00 N ATOM 546 CA LYS A 37 14.027 7.213 -8.855 1.00 0.00 C ATOM 547 C LYS A 37 14.230 7.646 -10.303 1.00 0.00 C ATOM 548 O LYS A 37 14.691 8.755 -10.570 1.00 0.00 O ATOM 549 CB LYS A 37 14.904 5.997 -8.547 1.00 0.00 C ATOM 550 CG LYS A 37 15.037 5.704 -7.063 1.00 0.00 C ATOM 551 CD LYS A 37 15.271 4.225 -6.806 1.00 0.00 C ATOM 552 CE LYS A 37 16.698 3.819 -7.144 1.00 0.00 C ATOM 553 NZ LYS A 37 17.693 4.526 -6.291 1.00 0.00 N ATOM 0 H LYS A 37 12.360 5.942 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 37 14.318 8.038 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.486 5.122 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.897 6.159 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.864 6.281 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.133 6.026 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.066 4.000 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.573 3.636 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.809 2.742 -7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.899 4.037 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.575 3.976 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.886 5.467 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.314 4.629 -5.328 1.00 0.00 H new ATOM 567 N GLN A 38 13.881 6.763 -11.234 1.00 0.00 N ATOM 568 CA GLN A 38 14.025 7.056 -12.656 1.00 0.00 C ATOM 569 C GLN A 38 13.483 8.444 -12.983 1.00 0.00 C ATOM 570 O GLN A 38 14.196 9.287 -13.524 1.00 0.00 O ATOM 571 CB GLN A 38 13.298 6.001 -13.491 1.00 0.00 C ATOM 572 CG GLN A 38 13.972 5.708 -14.822 1.00 0.00 C ATOM 573 CD GLN A 38 12.982 5.346 -15.911 1.00 0.00 C ATOM 574 OE1 GLN A 38 12.283 6.209 -16.442 1.00 0.00 O ATOM 575 NE2 GLN A 38 12.917 4.064 -16.250 1.00 0.00 N ATOM 0 H GLN A 38 13.497 5.840 -11.030 1.00 0.00 H new ATOM 0 HA GLN A 38 15.087 7.034 -12.901 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.231 5.077 -12.916 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.277 6.336 -13.676 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.546 6.580 -15.134 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.680 4.890 -14.694 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.515 3.382 -15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.269 3.761 -16.977 1.00 0.00 H new ATOM 584 N ASN A 39 12.216 8.672 -12.652 1.00 0.00 N ATOM 585 CA ASN A 39 11.578 9.957 -12.913 1.00 0.00 C ATOM 586 C ASN A 39 11.834 10.933 -11.769 1.00 0.00 C ATOM 587 O ASN A 39 12.525 11.937 -11.938 1.00 0.00 O ATOM 588 CB ASN A 39 10.072 9.771 -13.111 1.00 0.00 C ATOM 589 CG ASN A 39 9.395 11.033 -13.611 1.00 0.00 C ATOM 590 OD1 ASN A 39 10.055 11.961 -14.079 1.00 0.00 O ATOM 591 ND2 ASN A 39 8.071 11.072 -13.514 1.00 0.00 N ATOM 0 H ASN A 39 11.611 7.984 -12.203 1.00 0.00 H new ATOM 0 HA ASN A 39 12.010 10.371 -13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.899 8.963 -13.822 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.619 9.468 -12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.560 11.895 -13.834 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.565 10.279 -13.119 1.00 0.00 H new ATOM 598 N GLY A 40 11.273 10.630 -10.602 1.00 0.00 N ATOM 599 CA GLY A 40 11.453 11.490 -9.446 1.00 0.00 C ATOM 600 C GLY A 40 10.142 11.830 -8.767 1.00 0.00 C ATOM 601 O GLY A 40 9.376 12.659 -9.259 1.00 0.00 O ATOM 0 H GLY A 40 10.697 9.805 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.112 10.999 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.948 12.411 -9.755 1.00 0.00 H new ATOM 605 N GLY A 41 9.880 11.188 -7.633 1.00 0.00 N ATOM 606 CA GLY A 41 8.650 11.440 -6.905 1.00 0.00 C ATOM 607 C GLY A 41 8.844 11.385 -5.403 1.00 0.00 C ATOM 608 O GLY A 41 9.971 11.457 -4.911 1.00 0.00 O ATOM 0 H GLY A 41 10.497 10.498 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.261 12.420 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.900 10.705 -7.199 1.00 0.00 H new ATOM 612 N LYS A 42 7.743 11.260 -4.670 1.00 0.00 N ATOM 613 CA LYS A 42 7.795 11.196 -3.214 1.00 0.00 C ATOM 614 C LYS A 42 8.597 9.984 -2.751 1.00 0.00 C ATOM 615 O LYS A 42 8.495 8.892 -3.310 1.00 0.00 O ATOM 616 CB LYS A 42 6.380 11.137 -2.634 1.00 0.00 C ATOM 617 CG LYS A 42 5.537 12.357 -2.963 1.00 0.00 C ATOM 618 CD LYS A 42 4.061 12.098 -2.712 1.00 0.00 C ATOM 619 CE LYS A 42 3.184 13.028 -3.536 1.00 0.00 C ATOM 620 NZ LYS A 42 3.227 14.427 -3.026 1.00 0.00 N ATOM 0 H LYS A 42 6.803 11.201 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 42 8.291 12.097 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.878 10.246 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.444 11.031 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.867 13.202 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.687 12.633 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.825 11.062 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.842 12.233 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.512 13.010 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.156 12.667 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.617 15.030 -3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.890 14.448 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.204 14.781 -3.065 1.00 0.00 H new ATOM 634 N PRO A 43 9.412 10.177 -1.703 1.00 0.00 N ATOM 635 CA PRO A 43 10.245 9.110 -1.141 1.00 0.00 C ATOM 636 C PRO A 43 9.419 8.046 -0.426 1.00 0.00 C ATOM 637 O PRO A 43 9.917 6.962 -0.120 1.00 0.00 O ATOM 638 CB PRO A 43 11.143 9.849 -0.145 1.00 0.00 C ATOM 639 CG PRO A 43 10.368 11.063 0.235 1.00 0.00 C ATOM 640 CD PRO A 43 9.584 11.453 -0.987 1.00 0.00 C ATOM 0 HA PRO A 43 10.794 8.572 -1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.362 9.230 0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.099 10.115 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.704 10.855 1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.033 11.869 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.625 11.899 -0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.120 12.184 -1.592 1.00 0.00 H new ATOM 648 N TYR A 44 8.156 8.362 -0.164 1.00 0.00 N ATOM 649 CA TYR A 44 7.262 7.433 0.517 1.00 0.00 C ATOM 650 C TYR A 44 6.158 6.954 -0.421 1.00 0.00 C ATOM 651 O TYR A 44 6.058 7.404 -1.563 1.00 0.00 O ATOM 652 CB TYR A 44 6.646 8.096 1.750 1.00 0.00 C ATOM 653 CG TYR A 44 6.098 9.480 1.484 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.796 9.657 1.033 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.883 10.609 1.682 1.00 0.00 C ATOM 656 CE1 TYR A 44 4.291 10.920 0.788 1.00 0.00 C ATOM 657 CE2 TYR A 44 6.386 11.875 1.441 1.00 0.00 C ATOM 658 CZ TYR A 44 5.090 12.025 0.993 1.00 0.00 C ATOM 659 OH TYR A 44 4.592 13.285 0.751 1.00 0.00 O ATOM 0 H TYR A 44 7.728 9.254 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 44 7.848 6.569 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.843 7.463 2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.401 8.158 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.168 8.793 0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.899 10.495 2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.276 11.041 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.009 12.743 1.602 1.00 0.00 H new ATOM 0 HH TYR A 44 5.282 13.953 0.946 1.00 0.00 H new ATOM 669 N LEU A 45 5.330 6.038 0.070 1.00 0.00 N ATOM 670 CA LEU A 45 4.231 5.496 -0.723 1.00 0.00 C ATOM 671 C LEU A 45 2.968 5.357 0.121 1.00 0.00 C ATOM 672 O LEU A 45 3.010 4.842 1.238 1.00 0.00 O ATOM 673 CB LEU A 45 4.620 4.137 -1.307 1.00 0.00 C ATOM 674 CG LEU A 45 3.685 3.575 -2.379 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.991 4.195 -3.733 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.800 2.059 -2.446 1.00 0.00 C ATOM 0 H LEU A 45 5.398 5.655 1.013 1.00 0.00 H new ATOM 0 HA LEU A 45 4.026 6.190 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.620 4.220 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.679 3.417 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 45 2.660 3.830 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.316 3.783 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.856 5.275 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.021 3.972 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.128 1.677 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.825 1.782 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.529 1.631 -1.481 1.00 0.00 H new ATOM 688 N SER A 46 1.846 5.818 -0.422 1.00 0.00 N ATOM 689 CA SER A 46 0.571 5.747 0.281 1.00 0.00 C ATOM 690 C SER A 46 -0.047 4.358 0.146 1.00 0.00 C ATOM 691 O SER A 46 -0.009 3.750 -0.924 1.00 0.00 O ATOM 692 CB SER A 46 -0.395 6.802 -0.262 1.00 0.00 C ATOM 693 OG SER A 46 0.042 8.109 0.065 1.00 0.00 O ATOM 0 H SER A 46 1.794 6.245 -1.347 1.00 0.00 H new ATOM 0 HA SER A 46 0.755 5.943 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.476 6.702 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.390 6.634 0.149 1.00 0.00 H new ATOM 0 HG SER A 46 -0.591 8.765 -0.294 1.00 0.00 H new ATOM 699 N VAL A 47 -0.616 3.862 1.240 1.00 0.00 N ATOM 700 CA VAL A 47 -1.243 2.545 1.246 1.00 0.00 C ATOM 701 C VAL A 47 -2.544 2.560 2.041 1.00 0.00 C ATOM 702 O VAL A 47 -2.556 2.904 3.223 1.00 0.00 O ATOM 703 CB VAL A 47 -0.304 1.478 1.838 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.993 0.123 1.878 1.00 0.00 C ATOM 705 CG2 VAL A 47 0.989 1.405 1.040 1.00 0.00 C ATOM 0 H VAL A 47 -0.656 4.352 2.134 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.458 2.292 0.208 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.057 1.763 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.314 -0.618 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.888 0.188 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.272 -0.174 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.641 0.646 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.764 1.144 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.490 2.373 1.069 1.00 0.00 H new ATOM 715 N ILE A 48 -3.636 2.184 1.385 1.00 0.00 N ATOM 716 CA ILE A 48 -4.942 2.152 2.031 1.00 0.00 C ATOM 717 C ILE A 48 -5.435 0.720 2.206 1.00 0.00 C ATOM 718 O ILE A 48 -5.729 0.029 1.230 1.00 0.00 O ATOM 719 CB ILE A 48 -5.988 2.948 1.228 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.583 4.421 1.142 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.363 2.807 1.862 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.377 5.207 0.122 1.00 0.00 C ATOM 0 H ILE A 48 -3.642 1.897 0.406 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.819 2.614 3.011 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.033 2.543 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.708 4.882 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.524 4.484 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.091 3.375 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.651 1.756 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.334 3.189 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.037 6.242 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.232 4.771 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.435 5.175 0.381 1.00 0.00 H new ATOM 734 N THR A 49 -5.524 0.278 3.457 1.00 0.00 N ATOM 735 CA THR A 49 -5.981 -1.072 3.760 1.00 0.00 C ATOM 736 C THR A 49 -7.492 -1.109 3.957 1.00 0.00 C ATOM 737 O THR A 49 -8.182 -1.952 3.384 1.00 0.00 O ATOM 738 CB THR A 49 -5.296 -1.626 5.024 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.550 -0.762 6.137 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.796 -1.761 4.811 1.00 0.00 C ATOM 0 H THR A 49 -5.285 0.836 4.277 1.00 0.00 H new ATOM 0 HA THR A 49 -5.713 -1.696 2.907 1.00 0.00 H new ATOM 0 HB THR A 49 -5.707 -2.614 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.874 -1.292 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.334 -2.154 5.717 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.606 -2.442 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.372 -0.784 4.582 1.00 0.00 H new ATOM 885 N ARG A 61 -7.914 -8.047 8.152 1.00 0.00 N ATOM 886 CA ARG A 61 -6.785 -8.966 8.228 1.00 0.00 C ATOM 887 C ARG A 61 -5.703 -8.581 7.223 1.00 0.00 C ATOM 888 O ARG A 61 -4.714 -9.295 7.057 1.00 0.00 O ATOM 889 CB ARG A 61 -7.248 -10.400 7.969 1.00 0.00 C ATOM 890 CG ARG A 61 -7.741 -11.115 9.217 1.00 0.00 C ATOM 891 CD ARG A 61 -7.508 -12.616 9.128 1.00 0.00 C ATOM 892 NE ARG A 61 -8.433 -13.364 9.975 1.00 0.00 N ATOM 893 CZ ARG A 61 -8.179 -14.580 10.445 1.00 0.00 C ATOM 894 NH1 ARG A 61 -7.034 -15.182 10.152 1.00 0.00 N ATOM 895 NH2 ARG A 61 -9.070 -15.197 11.210 1.00 0.00 N ATOM 0 HA ARG A 61 -6.365 -8.903 9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.048 -10.387 7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.423 -10.967 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.228 -10.717 10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.804 -10.918 9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.621 -12.940 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.483 -12.842 9.422 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.323 -12.929 10.219 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.346 -14.711 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.841 -16.116 10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.952 -14.738 11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.873 -16.131 11.570 1.00 0.00 H new ATOM 909 N ILE A 62 -5.898 -7.449 6.555 1.00 0.00 N ATOM 910 CA ILE A 62 -4.939 -6.970 5.568 1.00 0.00 C ATOM 911 C ILE A 62 -3.797 -6.209 6.234 1.00 0.00 C ATOM 912 O ILE A 62 -2.658 -6.675 6.260 1.00 0.00 O ATOM 913 CB ILE A 62 -5.612 -6.055 4.527 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.642 -6.842 3.714 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.567 -5.436 3.611 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.478 -5.976 2.798 1.00 0.00 C ATOM 0 H ILE A 62 -6.712 -6.847 6.680 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.540 -7.850 5.063 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.128 -5.251 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.125 -7.594 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.302 -7.376 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.058 -4.792 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.868 -4.845 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.025 -6.226 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.186 -6.600 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.023 -5.241 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.828 -5.462 2.090 1.00 0.00 H new ATOM 928 N LYS A 63 -4.111 -5.036 6.774 1.00 0.00 N ATOM 929 CA LYS A 63 -3.113 -4.211 7.444 1.00 0.00 C ATOM 930 C LYS A 63 -2.258 -5.050 8.388 1.00 0.00 C ATOM 931 O LYS A 63 -1.028 -4.991 8.367 1.00 0.00 O ATOM 932 CB LYS A 63 -3.794 -3.083 8.223 1.00 0.00 C ATOM 933 CG LYS A 63 -3.050 -1.761 8.154 1.00 0.00 C ATOM 934 CD LYS A 63 -3.642 -0.738 9.109 1.00 0.00 C ATOM 935 CE LYS A 63 -3.783 -1.303 10.514 1.00 0.00 C ATOM 936 NZ LYS A 63 -4.050 -0.236 11.518 1.00 0.00 N ATOM 0 H LYS A 63 -5.049 -4.635 6.761 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.464 -3.779 6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.803 -2.943 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.892 -3.381 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.999 -1.921 8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.087 -1.374 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.007 0.148 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.619 -0.420 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.595 -2.030 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.871 -1.836 10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.139 -0.662 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.264 0.445 11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.934 0.256 11.275 1.00 0.00 H new ATOM 950 N PRO A 64 -2.921 -5.852 9.234 1.00 0.00 N ATOM 951 CA PRO A 64 -2.240 -6.720 10.200 1.00 0.00 C ATOM 952 C PRO A 64 -1.110 -7.522 9.562 1.00 0.00 C ATOM 953 O PRO A 64 0.030 -7.480 10.023 1.00 0.00 O ATOM 954 CB PRO A 64 -3.352 -7.654 10.683 1.00 0.00 C ATOM 955 CG PRO A 64 -4.610 -6.879 10.485 1.00 0.00 C ATOM 956 CD PRO A 64 -4.386 -5.972 9.314 1.00 0.00 C ATOM 0 HA PRO A 64 -1.767 -6.149 10.999 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.365 -8.583 10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.215 -7.925 11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.450 -7.548 10.299 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.853 -6.303 11.378 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.803 -6.391 8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.859 -5.001 9.464 1.00 0.00 H new ATOM 964 N ALA A 65 -1.435 -8.251 8.500 1.00 0.00 N ATOM 965 CA ALA A 65 -0.447 -9.061 7.798 1.00 0.00 C ATOM 966 C ALA A 65 0.684 -8.195 7.252 1.00 0.00 C ATOM 967 O ALA A 65 1.861 -8.491 7.459 1.00 0.00 O ATOM 968 CB ALA A 65 -1.108 -9.841 6.672 1.00 0.00 C ATOM 0 H ALA A 65 -2.375 -8.297 8.107 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.019 -9.766 8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.358 -10.441 6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.876 -10.495 7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.564 -9.146 5.967 1.00 0.00 H new ATOM 974 N VAL A 66 0.319 -7.125 6.553 1.00 0.00 N ATOM 975 CA VAL A 66 1.303 -6.216 5.978 1.00 0.00 C ATOM 976 C VAL A 66 2.308 -5.757 7.028 1.00 0.00 C ATOM 977 O VAL A 66 3.519 -5.846 6.824 1.00 0.00 O ATOM 978 CB VAL A 66 0.629 -4.980 5.354 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.667 -3.925 5.004 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.177 -5.376 4.126 1.00 0.00 C ATOM 0 H VAL A 66 -0.651 -6.867 6.371 1.00 0.00 H new ATOM 0 HA VAL A 66 1.825 -6.769 5.197 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.055 -4.552 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.172 -3.059 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.195 -3.621 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.379 -4.338 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.646 -4.490 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.484 -5.829 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.947 -6.093 4.412 1.00 0.00 H new ATOM 990 N ILE A 67 1.798 -5.268 8.153 1.00 0.00 N ATOM 991 CA ILE A 67 2.651 -4.796 9.237 1.00 0.00 C ATOM 992 C ILE A 67 3.694 -5.844 9.610 1.00 0.00 C ATOM 993 O ILE A 67 4.832 -5.512 9.943 1.00 0.00 O ATOM 994 CB ILE A 67 1.827 -4.440 10.488 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.880 -3.276 10.188 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.748 -4.095 11.649 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.138 -3.029 11.278 1.00 0.00 C ATOM 0 H ILE A 67 0.798 -5.188 8.338 1.00 0.00 H new ATOM 0 HA ILE A 67 3.153 -3.898 8.876 1.00 0.00 H new ATOM 0 HB ILE A 67 1.229 -5.307 10.769 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.467 -2.370 10.038 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.357 -3.475 9.252 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.150 -3.846 12.526 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.385 -4.950 11.875 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.370 -3.241 11.379 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.775 -2.190 10.998 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.750 -3.921 11.413 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.376 -2.798 12.211 1.00 0.00 H new ATOM 1009 N LYS A 68 3.300 -7.111 9.551 1.00 0.00 N ATOM 1010 CA LYS A 68 4.201 -8.210 9.880 1.00 0.00 C ATOM 1011 C LYS A 68 5.253 -8.394 8.792 1.00 0.00 C ATOM 1012 O LYS A 68 6.415 -8.682 9.081 1.00 0.00 O ATOM 1013 CB LYS A 68 3.410 -9.507 10.065 1.00 0.00 C ATOM 1014 CG LYS A 68 4.121 -10.535 10.927 1.00 0.00 C ATOM 1015 CD LYS A 68 3.136 -11.478 11.597 1.00 0.00 C ATOM 1016 CE LYS A 68 2.583 -10.885 12.884 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.508 -11.092 14.033 1.00 0.00 N ATOM 0 H LYS A 68 2.362 -7.403 9.278 1.00 0.00 H new ATOM 0 HA LYS A 68 4.708 -7.965 10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.445 -9.273 10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.209 -9.943 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.815 -11.109 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.714 -10.026 11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.315 -11.695 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.628 -12.426 11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.408 -9.818 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.618 -11.340 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.095 -10.674 14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.655 -12.111 14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.421 -10.636 13.830 1.00 0.00 H new ATOM 1031 N TYR A 69 4.840 -8.225 7.541 1.00 0.00 N ATOM 1032 CA TYR A 69 5.748 -8.374 6.409 1.00 0.00 C ATOM 1033 C TYR A 69 6.743 -7.219 6.353 1.00 0.00 C ATOM 1034 O TYR A 69 7.911 -7.406 6.009 1.00 0.00 O ATOM 1035 CB TYR A 69 4.958 -8.447 5.101 1.00 0.00 C ATOM 1036 CG TYR A 69 5.798 -8.184 3.872 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.224 -6.899 3.558 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.168 -9.222 3.025 1.00 0.00 C ATOM 1039 CE1 TYR A 69 6.991 -6.655 2.435 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.936 -8.987 1.900 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.344 -7.702 1.610 1.00 0.00 C ATOM 1042 OH TYR A 69 8.109 -7.463 0.491 1.00 0.00 O ATOM 0 H TYR A 69 3.882 -7.985 7.285 1.00 0.00 H new ATOM 0 HA TYR A 69 6.304 -9.302 6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.503 -9.434 5.016 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.144 -7.723 5.137 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.951 -6.077 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.850 -10.229 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.312 -5.650 2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.215 -9.805 1.252 1.00 0.00 H new ATOM 0 HH TYR A 69 8.150 -8.275 -0.056 1.00 0.00 H new ATOM 1052 N LEU A 70 6.271 -6.025 6.694 1.00 0.00 N ATOM 1053 CA LEU A 70 7.118 -4.837 6.684 1.00 0.00 C ATOM 1054 C LEU A 70 8.278 -4.986 7.663 1.00 0.00 C ATOM 1055 O LEU A 70 9.442 -5.020 7.262 1.00 0.00 O ATOM 1056 CB LEU A 70 6.295 -3.596 7.036 1.00 0.00 C ATOM 1057 CG LEU A 70 5.202 -3.211 6.039 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.349 -2.080 6.593 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.814 -2.814 4.703 1.00 0.00 C ATOM 0 H LEU A 70 5.307 -5.854 6.981 1.00 0.00 H new ATOM 0 HA LEU A 70 7.527 -4.722 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.831 -3.756 8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.976 -2.751 7.143 1.00 0.00 H new ATOM 0 HG LEU A 70 4.561 -4.078 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.576 -1.819 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.881 -2.400 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.977 -1.210 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.021 -2.543 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.478 -1.962 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.381 -3.653 4.299 1.00 0.00 H new ATOM 1071 N ILE A 71 7.953 -5.078 8.948 1.00 0.00 N ATOM 1072 CA ILE A 71 8.967 -5.227 9.984 1.00 0.00 C ATOM 1073 C ILE A 71 9.994 -6.287 9.599 1.00 0.00 C ATOM 1074 O ILE A 71 11.196 -6.099 9.786 1.00 0.00 O ATOM 1075 CB ILE A 71 8.338 -5.606 11.337 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.352 -4.526 11.787 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.421 -5.811 12.386 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.366 -5.003 12.830 1.00 0.00 C ATOM 0 H ILE A 71 6.995 -5.052 9.297 1.00 0.00 H new ATOM 0 HA ILE A 71 9.463 -4.261 10.081 1.00 0.00 H new ATOM 0 HB ILE A 71 7.793 -6.542 11.217 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.911 -3.680 12.187 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.802 -4.163 10.919 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.960 -6.078 13.337 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.088 -6.612 12.068 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.991 -4.890 12.505 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.699 -4.185 13.101 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.781 -5.830 12.427 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.906 -5.339 13.715 1.00 0.00 H new ATOM 1090 N SER A 72 9.512 -7.401 9.058 1.00 0.00 N ATOM 1091 CA SER A 72 10.387 -8.493 8.647 1.00 0.00 C ATOM 1092 C SER A 72 11.486 -7.988 7.717 1.00 0.00 C ATOM 1093 O SER A 72 12.665 -8.281 7.913 1.00 0.00 O ATOM 1094 CB SER A 72 9.578 -9.589 7.952 1.00 0.00 C ATOM 1095 OG SER A 72 10.265 -10.829 7.986 1.00 0.00 O ATOM 0 H SER A 72 8.520 -7.571 8.894 1.00 0.00 H new ATOM 0 HA SER A 72 10.854 -8.908 9.540 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.608 -9.693 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.387 -9.304 6.918 1.00 0.00 H new ATOM 0 HG SER A 72 9.727 -11.514 7.537 1.00 0.00 H new ATOM 1101 N HIS A 73 11.089 -7.226 6.703 1.00 0.00 N ATOM 1102 CA HIS A 73 12.039 -6.678 5.741 1.00 0.00 C ATOM 1103 C HIS A 73 12.652 -5.381 6.260 1.00 0.00 C ATOM 1104 O HIS A 73 13.390 -4.702 5.546 1.00 0.00 O ATOM 1105 CB HIS A 73 11.352 -6.429 4.398 1.00 0.00 C ATOM 1106 CG HIS A 73 10.959 -7.686 3.684 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.898 -7.783 2.310 1.00 0.00 N ATOM 1108 CD2 HIS A 73 10.609 -8.903 4.162 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.524 -9.004 1.973 1.00 0.00 C ATOM 1110 NE2 HIS A 73 10.343 -9.704 3.079 1.00 0.00 N ATOM 0 H HIS A 73 10.117 -6.974 6.526 1.00 0.00 H new ATOM 0 HA HIS A 73 12.838 -7.407 5.602 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.463 -5.821 4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.020 -5.852 3.759 1.00 0.00 H new ATOM 0 HD2 HIS A 73 10.550 -9.190 5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.389 -9.368 0.965 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.053 -10.681 3.121 1.00 0.00 H new ATOM 1118 N SER A 74 12.340 -5.043 7.507 1.00 0.00 N ATOM 1119 CA SER A 74 12.856 -3.825 8.121 1.00 0.00 C ATOM 1120 C SER A 74 12.308 -2.587 7.417 1.00 0.00 C ATOM 1121 O SER A 74 13.021 -1.603 7.221 1.00 0.00 O ATOM 1122 CB SER A 74 14.385 -3.815 8.077 1.00 0.00 C ATOM 1123 OG SER A 74 14.921 -4.967 8.706 1.00 0.00 O ATOM 0 H SER A 74 11.732 -5.595 8.112 1.00 0.00 H new ATOM 0 HA SER A 74 12.529 -3.805 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.722 -3.772 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.760 -2.919 8.571 1.00 0.00 H new ATOM 0 HG SER A 74 15.900 -4.938 8.663 1.00 0.00 H new ATOM 1129 N PHE A 75 11.035 -2.645 7.038 1.00 0.00 N ATOM 1130 CA PHE A 75 10.390 -1.531 6.354 1.00 0.00 C ATOM 1131 C PHE A 75 9.853 -0.514 7.357 1.00 0.00 C ATOM 1132 O PHE A 75 9.125 -0.867 8.286 1.00 0.00 O ATOM 1133 CB PHE A 75 9.251 -2.039 5.467 1.00 0.00 C ATOM 1134 CG PHE A 75 9.691 -2.407 4.079 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.307 -1.472 3.262 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.490 -3.687 3.590 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.712 -1.807 1.984 1.00 0.00 C ATOM 1138 CE2 PHE A 75 9.893 -4.029 2.313 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.506 -3.088 1.510 1.00 0.00 C ATOM 0 H PHE A 75 10.430 -3.452 7.193 1.00 0.00 H new ATOM 0 HA PHE A 75 11.136 -1.040 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.795 -2.910 5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.480 -1.271 5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.472 -0.470 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.012 -4.427 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.189 -1.068 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.729 -5.031 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.824 -3.353 0.513 1.00 0.00 H new ATOM 1149 N ARG A 76 10.218 0.749 7.164 1.00 0.00 N ATOM 1150 CA ARG A 76 9.776 1.817 8.052 1.00 0.00 C ATOM 1151 C ARG A 76 8.431 2.378 7.600 1.00 0.00 C ATOM 1152 O ARG A 76 8.164 2.490 6.404 1.00 0.00 O ATOM 1153 CB ARG A 76 10.818 2.936 8.098 1.00 0.00 C ATOM 1154 CG ARG A 76 10.783 3.748 9.382 1.00 0.00 C ATOM 1155 CD ARG A 76 9.823 4.922 9.273 1.00 0.00 C ATOM 1156 NE ARG A 76 9.459 5.456 10.583 1.00 0.00 N ATOM 1157 CZ ARG A 76 9.040 6.701 10.779 1.00 0.00 C ATOM 1158 NH1 ARG A 76 8.933 7.537 9.756 1.00 0.00 N ATOM 1159 NH2 ARG A 76 8.727 7.112 12.001 1.00 0.00 N ATOM 0 H ARG A 76 10.819 1.058 6.400 1.00 0.00 H new ATOM 0 HA ARG A 76 9.658 1.399 9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.811 2.502 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.659 3.604 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.483 3.107 10.211 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.784 4.115 9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.281 5.710 8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.922 4.606 8.748 1.00 0.00 H new ATOM 0 HE ARG A 76 9.531 4.839 11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.173 7.225 8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.611 8.493 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.808 6.472 12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.405 8.068 12.151 1.00 0.00 H new ATOM 1173 N PHE A 77 7.587 2.728 8.565 1.00 0.00 N ATOM 1174 CA PHE A 77 6.269 3.275 8.267 1.00 0.00 C ATOM 1175 C PHE A 77 5.688 3.989 9.484 1.00 0.00 C ATOM 1176 O PHE A 77 6.106 3.748 10.616 1.00 0.00 O ATOM 1177 CB PHE A 77 5.321 2.163 7.813 1.00 0.00 C ATOM 1178 CG PHE A 77 5.059 1.130 8.872 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.103 0.407 9.426 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.769 0.882 9.313 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.866 -0.544 10.401 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.526 -0.067 10.287 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.575 -0.782 10.831 1.00 0.00 C ATOM 0 H PHE A 77 7.793 2.642 9.560 1.00 0.00 H new ATOM 0 HA PHE A 77 6.379 4.000 7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.374 2.607 7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.742 1.673 6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.114 0.589 9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.944 1.437 8.891 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.689 -1.100 10.826 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.516 -0.250 10.623 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.386 -1.526 11.591 1.00 0.00 H new ATOM 1193 N SER A 78 4.721 4.869 9.241 1.00 0.00 N ATOM 1194 CA SER A 78 4.085 5.621 10.316 1.00 0.00 C ATOM 1195 C SER A 78 2.615 5.881 10.001 1.00 0.00 C ATOM 1196 O SER A 78 2.288 6.530 9.008 1.00 0.00 O ATOM 1197 CB SER A 78 4.813 6.948 10.539 1.00 0.00 C ATOM 1198 OG SER A 78 4.719 7.361 11.891 1.00 0.00 O ATOM 0 H SER A 78 4.361 5.078 8.310 1.00 0.00 H new ATOM 0 HA SER A 78 4.144 5.025 11.227 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.861 6.842 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.386 7.714 9.891 1.00 0.00 H new ATOM 0 HG SER A 78 5.194 8.210 12.007 1.00 0.00 H new ATOM 1204 N GLU A 79 1.734 5.370 10.855 1.00 0.00 N ATOM 1205 CA GLU A 79 0.298 5.546 10.667 1.00 0.00 C ATOM 1206 C GLU A 79 -0.091 7.016 10.799 1.00 0.00 C ATOM 1207 O GLU A 79 -0.155 7.555 11.904 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.478 4.708 11.685 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.982 4.729 11.469 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.664 5.854 12.224 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.807 5.739 13.459 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.054 6.850 11.578 1.00 0.00 O ATOM 0 H GLU A 79 1.989 4.831 11.683 1.00 0.00 H new ATOM 0 HA GLU A 79 0.044 5.210 9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.127 3.677 11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.258 5.074 12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.191 4.832 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.404 3.775 11.786 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.350 7.657 9.665 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.733 9.064 9.653 1.00 0.00 C ATOM 1221 C ILE A 80 -2.246 9.220 9.535 1.00 0.00 C ATOM 1222 O ILE A 80 -2.803 10.260 9.887 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.058 9.822 8.495 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.435 9.189 7.154 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.452 9.831 8.677 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.481 10.178 6.011 1.00 0.00 C ATOM 0 H ILE A 80 -0.302 7.225 8.742 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.398 9.490 10.599 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.411 10.853 8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.284 8.405 6.917 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.409 8.710 7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.915 10.370 7.851 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.702 10.323 9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.823 8.806 8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.755 9.660 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.221 10.949 6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.499 10.639 5.889 1.00 0.00 H new ATOM 1238 N LYS A 81 -2.906 8.179 9.039 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.355 8.198 8.877 1.00 0.00 C ATOM 1240 C LYS A 81 -4.972 6.885 9.348 1.00 0.00 C ATOM 1241 O LYS A 81 -4.336 5.831 9.331 1.00 0.00 O ATOM 1242 CB LYS A 81 -4.721 8.449 7.412 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.030 9.661 6.811 1.00 0.00 C ATOM 1244 CD LYS A 81 -4.875 10.915 6.960 1.00 0.00 C ATOM 1245 CE LYS A 81 -4.629 11.891 5.820 1.00 0.00 C ATOM 1246 NZ LYS A 81 -5.544 11.646 4.672 1.00 0.00 N ATOM 0 H LYS A 81 -2.460 7.311 8.742 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.754 9.007 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.464 7.567 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.800 8.580 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.066 9.810 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.829 9.480 5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.930 10.643 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.647 11.398 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.763 12.911 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.595 11.805 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.344 12.332 3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.398 10.681 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.530 11.753 4.985 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.240 6.948 9.779 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.972 5.772 10.262 1.00 0.00 C ATOM 1262 C PRO A 82 -7.298 4.792 9.140 1.00 0.00 C ATOM 1263 O PRO A 82 -7.965 3.782 9.360 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.257 6.368 10.842 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.442 7.653 10.112 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.059 8.171 9.828 1.00 0.00 C ATOM 0 HA PRO A 82 -6.390 5.196 10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.106 5.701 10.691 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.168 6.532 11.916 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.999 7.500 9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.010 8.364 10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.020 8.718 8.886 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.717 8.853 10.607 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.821 5.096 7.937 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.072 4.231 6.799 1.00 0.00 C ATOM 1276 C GLY A 83 -5.969 4.302 5.762 1.00 0.00 C ATOM 1277 O GLY A 83 -6.169 3.924 4.607 1.00 0.00 O ATOM 0 H GLY A 83 -6.265 5.926 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.176 3.202 7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.019 4.509 6.337 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.804 4.789 6.173 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.665 4.911 5.270 1.00 0.00 C ATOM 1283 C CYS A 84 -2.377 4.467 5.956 1.00 0.00 C ATOM 1284 O CYS A 84 -2.285 4.461 7.184 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.526 6.354 4.782 1.00 0.00 C ATOM 1286 SG CYS A 84 -2.810 6.509 3.129 1.00 0.00 S ATOM 0 H CYS A 84 -4.623 5.106 7.125 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.841 4.261 4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.510 6.824 4.786 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -2.906 6.907 5.488 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.735 7.766 2.805 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.384 4.095 5.155 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.101 3.648 5.685 1.00 0.00 C ATOM 1294 C LEU A 85 1.054 4.206 4.859 1.00 0.00 C ATOM 1295 O LEU A 85 1.228 3.849 3.694 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.038 2.120 5.702 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.715 1.433 6.889 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.684 -0.078 6.720 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.045 1.840 8.193 1.00 0.00 C ATOM 0 H LEU A 85 -1.443 4.094 4.137 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.008 4.021 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.493 1.747 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.010 1.819 5.683 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.757 1.752 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.170 -0.550 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.210 -0.353 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.350 -0.416 6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.539 1.342 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.005 1.550 8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.120 2.920 8.319 1.00 0.00 H new ATOM 1311 N LYS A 86 1.842 5.084 5.471 1.00 0.00 N ATOM 1312 CA LYS A 86 2.982 5.690 4.795 1.00 0.00 C ATOM 1313 C LYS A 86 4.248 4.871 5.023 1.00 0.00 C ATOM 1314 O LYS A 86 4.741 4.771 6.147 1.00 0.00 O ATOM 1315 CB LYS A 86 3.193 7.122 5.291 1.00 0.00 C ATOM 1316 CG LYS A 86 2.444 8.164 4.478 1.00 0.00 C ATOM 1317 CD LYS A 86 2.759 9.573 4.951 1.00 0.00 C ATOM 1318 CE LYS A 86 3.982 10.138 4.244 1.00 0.00 C ATOM 1319 NZ LYS A 86 5.239 9.834 4.981 1.00 0.00 N ATOM 0 H LYS A 86 1.711 5.392 6.435 1.00 0.00 H new ATOM 0 HA LYS A 86 2.770 5.709 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.875 7.188 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.258 7.352 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.709 8.065 3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.372 7.985 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.901 10.220 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.930 9.567 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.042 9.725 3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.874 11.218 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.966 10.535 4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.059 9.871 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.572 8.883 4.722 1.00 0.00 H new ATOM 1333 N VAL A 87 4.771 4.287 3.950 1.00 0.00 N ATOM 1334 CA VAL A 87 5.982 3.478 4.032 1.00 0.00 C ATOM 1335 C VAL A 87 7.105 4.083 3.198 1.00 0.00 C ATOM 1336 O VAL A 87 6.980 4.228 1.982 1.00 0.00 O ATOM 1337 CB VAL A 87 5.726 2.035 3.559 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.998 1.207 3.658 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.603 1.401 4.367 1.00 0.00 C ATOM 0 H VAL A 87 4.375 4.359 3.013 1.00 0.00 H new ATOM 0 HA VAL A 87 6.281 3.461 5.080 1.00 0.00 H new ATOM 0 HB VAL A 87 5.420 2.063 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.798 0.190 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.771 1.652 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.338 1.184 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.435 0.382 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.878 1.384 5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.690 1.982 4.239 1.00 0.00 H new ATOM 1349 N MET A 88 8.203 4.433 3.859 1.00 0.00 N ATOM 1350 CA MET A 88 9.350 5.022 3.178 1.00 0.00 C ATOM 1351 C MET A 88 9.976 4.025 2.207 1.00 0.00 C ATOM 1352 O MET A 88 10.343 2.914 2.593 1.00 0.00 O ATOM 1353 CB MET A 88 10.394 5.483 4.196 1.00 0.00 C ATOM 1354 CG MET A 88 9.837 6.420 5.256 1.00 0.00 C ATOM 1355 SD MET A 88 9.936 8.154 4.772 1.00 0.00 S ATOM 1356 CE MET A 88 8.210 8.624 4.841 1.00 0.00 C ATOM 0 H MET A 88 8.323 4.319 4.865 1.00 0.00 H new ATOM 0 HA MET A 88 9.000 5.885 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.823 4.609 4.685 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.206 5.985 3.670 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.797 6.161 5.454 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.384 6.275 6.187 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.037 9.471 4.177 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.591 7.784 4.526 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.950 8.904 5.862 1.00 0.00 H new ATOM 1366 N LEU A 89 10.095 4.428 0.947 1.00 0.00 N ATOM 1367 CA LEU A 89 10.676 3.569 -0.079 1.00 0.00 C ATOM 1368 C LEU A 89 12.199 3.573 0.006 1.00 0.00 C ATOM 1369 O LEU A 89 12.823 4.628 0.120 1.00 0.00 O ATOM 1370 CB LEU A 89 10.231 4.028 -1.469 1.00 0.00 C ATOM 1371 CG LEU A 89 8.721 4.066 -1.711 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.413 4.699 -3.059 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.132 2.666 -1.630 1.00 0.00 C ATOM 0 H LEU A 89 9.797 5.344 0.611 1.00 0.00 H new ATOM 0 HA LEU A 89 10.323 2.552 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.633 5.026 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.681 3.367 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 89 8.263 4.676 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.334 4.718 -3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.800 5.718 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.883 4.116 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.057 2.713 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.595 2.032 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.321 2.248 -0.641 1.00 0.00 H new