USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 741 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 75 GLN : amide:sc= -1.38 K(o=-2,f=-1.4) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.63 K(o=-2,f=-5) USER MOD Set 2.1: A 33 GLN : amide:sc= -2.89! X(o=-7.4!,f=-7.4) USER MOD Set 2.2: A 36 ASN : amide:sc= -4.48 X(o=-7.4,f=-7.4!) USER MOD Single : A 9 SER OG : rot -19:sc= 0.51 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.25) USER MOD Single : A 20 LYS NZ :NH3+ -126:sc=-0.00898 (180deg=-0.445) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 32 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -133:sc= 0.843 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 173:sc= 0 (180deg=-0.0724) USER MOD Single : A 67 HIS : no HD1:sc= -0.341 X(o=-0.34,f=-0.35) USER MOD Single : A 68 TYR OH : rot 180:sc=-0.00177 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.295 K(o=-0.3,f=-2.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -156:sc= -1.12 (180deg=-1.81) USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= 0.0422 (180deg=0.0219) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -3.09 X(o=-3.1,f=-2.6!) USER MOD Single : A 100 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -148:sc= -0.0308 (180deg=-0.689) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot -158:sc= 0.666 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 7.955 7.617 4.737 1.00 0.00 N ATOM 88 CA SER A 9 7.313 6.395 4.269 1.00 0.00 C ATOM 89 C SER A 9 7.621 5.226 5.198 1.00 0.00 C ATOM 90 O SER A 9 8.326 5.381 6.195 1.00 0.00 O ATOM 91 CB SER A 9 7.773 6.066 2.847 1.00 0.00 C ATOM 92 OG SER A 9 9.108 6.488 2.633 1.00 0.00 O ATOM 0 HA SER A 9 6.235 6.559 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.696 4.992 2.676 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.115 6.552 2.127 1.00 0.00 H new ATOM 0 HG SER A 9 9.350 7.161 3.303 1.00 0.00 H new ATOM 98 N LEU A 10 7.087 4.055 4.866 1.00 0.00 N ATOM 99 CA LEU A 10 7.305 2.859 5.671 1.00 0.00 C ATOM 100 C LEU A 10 8.278 1.908 4.980 1.00 0.00 C ATOM 101 O LEU A 10 7.998 1.398 3.896 1.00 0.00 O ATOM 102 CB LEU A 10 5.977 2.146 5.934 1.00 0.00 C ATOM 103 CG LEU A 10 5.188 2.672 7.137 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.700 2.708 6.828 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.459 1.814 8.365 1.00 0.00 C ATOM 0 H LEU A 10 6.500 3.909 4.045 1.00 0.00 H new ATOM 0 HA LEU A 10 7.739 3.166 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.353 2.231 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.175 1.085 6.084 1.00 0.00 H new ATOM 0 HG LEU A 10 5.517 3.690 7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.157 3.084 7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.521 3.363 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.353 1.702 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.891 2.200 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.157 0.786 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.523 1.840 8.600 1.00 0.00 H new ATOM 117 N LYS A 11 9.421 1.674 5.618 1.00 0.00 N ATOM 118 CA LYS A 11 10.435 0.784 5.065 1.00 0.00 C ATOM 119 C LYS A 11 10.435 -0.557 5.791 1.00 0.00 C ATOM 120 O LYS A 11 10.950 -0.674 6.903 1.00 0.00 O ATOM 121 CB LYS A 11 11.819 1.430 5.164 1.00 0.00 C ATOM 122 CG LYS A 11 12.049 2.533 4.144 1.00 0.00 C ATOM 123 CD LYS A 11 11.863 2.027 2.722 1.00 0.00 C ATOM 124 CE LYS A 11 13.003 2.469 1.816 1.00 0.00 C ATOM 125 NZ LYS A 11 12.513 2.917 0.484 1.00 0.00 N ATOM 0 H LYS A 11 9.667 2.088 6.517 1.00 0.00 H new ATOM 0 HA LYS A 11 10.197 0.609 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.949 1.840 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.580 0.661 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.357 3.354 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.056 2.933 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.803 0.939 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.918 2.396 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.551 3.281 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.704 1.644 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.320 3.210 -0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.012 2.134 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.864 3.721 0.605 1.00 0.00 H new ATOM 139 N TYR A 12 9.853 -1.569 5.154 1.00 0.00 N ATOM 140 CA TYR A 12 9.786 -2.903 5.739 1.00 0.00 C ATOM 141 C TYR A 12 10.204 -3.962 4.725 1.00 0.00 C ATOM 142 O TYR A 12 9.743 -3.961 3.584 1.00 0.00 O ATOM 143 CB TYR A 12 8.369 -3.190 6.240 1.00 0.00 C ATOM 144 CG TYR A 12 8.129 -2.748 7.666 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.952 -3.186 8.696 1.00 0.00 C ATOM 146 CD2 TYR A 12 7.081 -1.892 7.981 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.736 -2.784 10.001 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.860 -1.485 9.283 1.00 0.00 C ATOM 149 CZ TYR A 12 7.689 -1.933 10.289 1.00 0.00 C ATOM 150 OH TYR A 12 7.471 -1.530 11.586 1.00 0.00 O ATOM 0 H TYR A 12 9.421 -1.490 4.233 1.00 0.00 H new ATOM 0 HA TYR A 12 10.477 -2.940 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.654 -2.689 5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.175 -4.260 6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.773 -3.851 8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.429 -1.539 7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.384 -3.134 10.791 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.041 -0.819 9.511 1.00 0.00 H new ATOM 0 HH TYR A 12 6.695 -0.932 11.617 1.00 0.00 H new ATOM 160 N THR A 13 11.082 -4.867 5.149 1.00 0.00 N ATOM 161 CA THR A 13 11.562 -5.933 4.278 1.00 0.00 C ATOM 162 C THR A 13 10.647 -7.151 4.353 1.00 0.00 C ATOM 163 O THR A 13 9.867 -7.297 5.294 1.00 0.00 O ATOM 164 CB THR A 13 12.990 -6.328 4.661 1.00 0.00 C ATOM 165 OG1 THR A 13 13.067 -6.655 6.038 1.00 0.00 O ATOM 166 CG2 THR A 13 14.006 -5.241 4.389 1.00 0.00 C ATOM 0 H THR A 13 11.475 -4.883 6.090 1.00 0.00 H new ATOM 0 HA THR A 13 11.557 -5.561 3.253 1.00 0.00 H new ATOM 0 HB THR A 13 13.229 -7.189 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.987 -6.907 6.264 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.997 -5.587 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.007 -5.001 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.748 -4.350 4.962 1.00 0.00 H new ATOM 174 N ALA A 14 10.748 -8.023 3.355 1.00 0.00 N ATOM 175 CA ALA A 14 9.930 -9.229 3.307 1.00 0.00 C ATOM 176 C ALA A 14 10.179 -10.110 4.526 1.00 0.00 C ATOM 177 O ALA A 14 9.281 -10.811 4.992 1.00 0.00 O ATOM 178 CB ALA A 14 10.206 -10.004 2.028 1.00 0.00 C ATOM 0 H ALA A 14 11.389 -7.917 2.568 1.00 0.00 H new ATOM 0 HA ALA A 14 8.882 -8.928 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.588 -10.902 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.970 -9.380 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.258 -10.287 1.994 1.00 0.00 H new ATOM 184 N ALA A 15 11.405 -10.069 5.038 1.00 0.00 N ATOM 185 CA ALA A 15 11.773 -10.863 6.204 1.00 0.00 C ATOM 186 C ALA A 15 10.933 -10.478 7.417 1.00 0.00 C ATOM 187 O ALA A 15 10.589 -11.325 8.241 1.00 0.00 O ATOM 188 CB ALA A 15 13.254 -10.695 6.510 1.00 0.00 C ATOM 0 H ALA A 15 12.160 -9.494 4.664 1.00 0.00 H new ATOM 0 HA ALA A 15 11.577 -11.911 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.515 -11.293 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.842 -11.026 5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.467 -9.645 6.713 1.00 0.00 H new ATOM 194 N ARG A 16 10.606 -9.193 7.520 1.00 0.00 N ATOM 195 CA ARG A 16 9.805 -8.696 8.633 1.00 0.00 C ATOM 196 C ARG A 16 8.340 -9.083 8.465 1.00 0.00 C ATOM 197 O ARG A 16 7.695 -9.537 9.411 1.00 0.00 O ATOM 198 CB ARG A 16 9.934 -7.175 8.742 1.00 0.00 C ATOM 199 CG ARG A 16 11.083 -6.724 9.629 1.00 0.00 C ATOM 200 CD ARG A 16 10.651 -6.609 11.082 1.00 0.00 C ATOM 201 NE ARG A 16 11.789 -6.659 11.998 1.00 0.00 N ATOM 202 CZ ARG A 16 12.407 -7.783 12.351 1.00 0.00 C ATOM 203 NH1 ARG A 16 12.000 -8.952 11.871 1.00 0.00 N ATOM 204 NH2 ARG A 16 13.435 -7.740 13.187 1.00 0.00 N ATOM 0 H ARG A 16 10.883 -8.478 6.847 1.00 0.00 H new ATOM 0 HA ARG A 16 10.179 -9.152 9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.071 -6.758 7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.002 -6.767 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.907 -7.433 9.548 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.456 -5.761 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.110 -5.674 11.226 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.959 -7.417 11.319 1.00 0.00 H new ATOM 0 HE ARG A 16 12.129 -5.781 12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.209 -8.992 11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.478 -9.810 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.752 -6.845 13.560 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.909 -8.602 13.458 1.00 0.00 H new ATOM 218 N LEU A 17 7.820 -8.900 7.256 1.00 0.00 N ATOM 219 CA LEU A 17 6.431 -9.230 6.963 1.00 0.00 C ATOM 220 C LEU A 17 6.174 -10.722 7.150 1.00 0.00 C ATOM 221 O LEU A 17 5.115 -11.125 7.630 1.00 0.00 O ATOM 222 CB LEU A 17 6.075 -8.814 5.534 1.00 0.00 C ATOM 223 CG LEU A 17 6.277 -7.330 5.224 1.00 0.00 C ATOM 224 CD1 LEU A 17 6.591 -7.131 3.749 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.045 -6.531 5.621 1.00 0.00 C ATOM 0 H LEU A 17 8.340 -8.525 6.463 1.00 0.00 H new ATOM 0 HA LEU A 17 5.799 -8.681 7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.678 -9.400 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.032 -9.070 5.346 1.00 0.00 H new ATOM 0 HG LEU A 17 7.124 -6.968 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.732 -6.069 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.502 -7.672 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.765 -7.509 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.206 -5.477 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.181 -6.894 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.864 -6.648 6.690 1.00 0.00 H new ATOM 237 N HIS A 18 7.151 -11.537 6.766 1.00 0.00 N ATOM 238 CA HIS A 18 7.031 -12.985 6.891 1.00 0.00 C ATOM 239 C HIS A 18 6.962 -13.401 8.356 1.00 0.00 C ATOM 240 O HIS A 18 6.208 -14.302 8.722 1.00 0.00 O ATOM 241 CB HIS A 18 8.213 -13.676 6.208 1.00 0.00 C ATOM 242 CG HIS A 18 8.108 -15.170 6.199 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.541 -15.961 7.242 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.616 -16.018 5.265 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.319 -17.231 6.950 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.759 -17.292 5.758 1.00 0.00 N ATOM 0 H HIS A 18 8.034 -11.220 6.366 1.00 0.00 H new ATOM 0 HA HIS A 18 6.107 -13.291 6.401 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.288 -13.319 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.134 -13.388 6.714 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.191 -15.744 4.311 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.556 -18.075 7.581 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.477 -18.147 5.279 1.00 0.00 H new ATOM 255 N GLU A 19 7.754 -12.737 9.191 1.00 0.00 N ATOM 256 CA GLU A 19 7.783 -13.037 10.619 1.00 0.00 C ATOM 257 C GLU A 19 6.468 -12.643 11.283 1.00 0.00 C ATOM 258 O GLU A 19 6.033 -13.276 12.246 1.00 0.00 O ATOM 259 CB GLU A 19 8.947 -12.308 11.291 1.00 0.00 C ATOM 260 CG GLU A 19 10.307 -12.901 10.965 1.00 0.00 C ATOM 261 CD GLU A 19 10.506 -14.276 11.573 1.00 0.00 C ATOM 262 OE1 GLU A 19 9.895 -14.552 12.627 1.00 0.00 O ATOM 263 OE2 GLU A 19 11.272 -15.076 10.995 1.00 0.00 O ATOM 0 H GLU A 19 8.384 -11.988 8.904 1.00 0.00 H new ATOM 0 HA GLU A 19 7.921 -14.112 10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.934 -11.262 10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.801 -12.327 12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.420 -12.967 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.087 -12.232 11.327 1.00 0.00 H new ATOM 270 N LYS A 20 5.839 -11.595 10.763 1.00 0.00 N ATOM 271 CA LYS A 20 4.573 -11.116 11.306 1.00 0.00 C ATOM 272 C LYS A 20 3.407 -11.954 10.792 1.00 0.00 C ATOM 273 O LYS A 20 2.399 -12.120 11.478 1.00 0.00 O ATOM 274 CB LYS A 20 4.360 -9.646 10.939 1.00 0.00 C ATOM 275 CG LYS A 20 5.511 -8.742 11.352 1.00 0.00 C ATOM 276 CD LYS A 20 5.601 -7.512 10.461 1.00 0.00 C ATOM 277 CE LYS A 20 5.752 -6.240 11.281 1.00 0.00 C ATOM 278 NZ LYS A 20 5.125 -5.068 10.610 1.00 0.00 N ATOM 0 H LYS A 20 6.185 -11.061 9.966 1.00 0.00 H new ATOM 0 HA LYS A 20 4.614 -11.211 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.215 -9.567 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.443 -9.292 11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.378 -8.433 12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.447 -9.298 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.450 -7.613 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.706 -7.443 9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.296 -6.384 12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.810 -6.039 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.823 -4.302 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.798 -5.345 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.316 -4.738 11.173 1.00 0.00 H new ATOM 292 N GLY A 21 3.552 -12.480 9.580 1.00 0.00 N ATOM 293 CA GLY A 21 2.503 -13.295 8.994 1.00 0.00 C ATOM 294 C GLY A 21 1.908 -12.674 7.743 1.00 0.00 C ATOM 295 O GLY A 21 1.231 -13.350 6.970 1.00 0.00 O ATOM 0 H GLY A 21 4.377 -12.357 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.906 -14.278 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.713 -13.448 9.730 1.00 0.00 H new ATOM 299 N VAL A 22 2.161 -11.383 7.543 1.00 0.00 N ATOM 300 CA VAL A 22 1.644 -10.673 6.378 1.00 0.00 C ATOM 301 C VAL A 22 2.056 -11.365 5.082 1.00 0.00 C ATOM 302 O VAL A 22 1.215 -11.901 4.360 1.00 0.00 O ATOM 303 CB VAL A 22 2.137 -9.214 6.346 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.436 -8.435 5.242 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.923 -8.549 7.697 1.00 0.00 C ATOM 0 H VAL A 22 2.721 -10.808 8.173 1.00 0.00 H new ATOM 0 HA VAL A 22 0.557 -10.681 6.460 1.00 0.00 H new ATOM 0 HB VAL A 22 3.206 -9.216 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.798 -7.407 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.647 -8.900 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.361 -8.440 5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.277 -7.519 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.861 -8.558 7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.477 -9.093 8.462 1.00 0.00 H new ATOM 315 N LEU A 23 3.353 -11.350 4.795 1.00 0.00 N ATOM 316 CA LEU A 23 3.875 -11.978 3.588 1.00 0.00 C ATOM 317 C LEU A 23 3.899 -13.496 3.731 1.00 0.00 C ATOM 318 O LEU A 23 4.484 -14.030 4.673 1.00 0.00 O ATOM 319 CB LEU A 23 5.283 -11.459 3.286 1.00 0.00 C ATOM 320 CG LEU A 23 5.625 -11.338 1.800 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.742 -10.294 1.133 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.095 -10.993 1.618 1.00 0.00 C ATOM 0 H LEU A 23 4.062 -10.910 5.382 1.00 0.00 H new ATOM 0 HA LEU A 23 3.215 -11.720 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.400 -10.480 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.007 -12.124 3.757 1.00 0.00 H new ATOM 0 HG LEU A 23 5.437 -12.300 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.999 -10.221 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.696 -10.585 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.897 -9.327 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.321 -10.911 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.309 -10.044 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.710 -11.777 2.060 1.00 0.00 H new ATOM 334 N LEU A 24 3.259 -14.185 2.793 1.00 0.00 N ATOM 335 CA LEU A 24 3.206 -15.642 2.817 1.00 0.00 C ATOM 336 C LEU A 24 4.395 -16.244 2.076 1.00 0.00 C ATOM 337 O LEU A 24 5.302 -16.805 2.691 1.00 0.00 O ATOM 338 CB LEU A 24 1.898 -16.138 2.196 1.00 0.00 C ATOM 339 CG LEU A 24 0.626 -15.615 2.866 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.599 -15.980 2.041 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.503 -16.165 4.279 1.00 0.00 C ATOM 0 H LEU A 24 2.770 -13.758 2.006 1.00 0.00 H new ATOM 0 HA LEU A 24 3.250 -15.963 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.881 -15.852 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.887 -17.227 2.230 1.00 0.00 H new ATOM 0 HG LEU A 24 0.689 -14.528 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.495 -15.600 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.514 -15.538 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.667 -17.064 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.407 -15.782 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.462 -17.254 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.366 -15.853 4.867 1.00 0.00 H new ATOM 353 N GLU A 25 4.385 -16.128 0.752 1.00 0.00 N ATOM 354 CA GLU A 25 5.463 -16.664 -0.071 1.00 0.00 C ATOM 355 C GLU A 25 5.676 -15.808 -1.315 1.00 0.00 C ATOM 356 O GLU A 25 4.985 -14.811 -1.523 1.00 0.00 O ATOM 357 CB GLU A 25 5.152 -18.106 -0.478 1.00 0.00 C ATOM 358 CG GLU A 25 5.512 -19.131 0.586 1.00 0.00 C ATOM 359 CD GLU A 25 4.355 -20.050 0.927 1.00 0.00 C ATOM 360 OE1 GLU A 25 4.108 -21.002 0.157 1.00 0.00 O ATOM 361 OE2 GLU A 25 3.696 -19.817 1.961 1.00 0.00 O ATOM 0 H GLU A 25 3.642 -15.668 0.226 1.00 0.00 H new ATOM 0 HA GLU A 25 6.379 -16.649 0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.089 -18.189 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.694 -18.341 -1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.355 -19.728 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.838 -18.613 1.488 1.00 0.00 H new ATOM 368 N ILE A 26 6.639 -16.206 -2.140 1.00 0.00 N ATOM 369 CA ILE A 26 6.945 -15.479 -3.367 1.00 0.00 C ATOM 370 C ILE A 26 7.395 -16.431 -4.469 1.00 0.00 C ATOM 371 O ILE A 26 8.391 -17.139 -4.323 1.00 0.00 O ATOM 372 CB ILE A 26 8.044 -14.424 -3.135 1.00 0.00 C ATOM 373 CG1 ILE A 26 7.711 -13.569 -1.911 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.206 -13.548 -4.370 1.00 0.00 C ATOM 375 CD1 ILE A 26 8.760 -12.523 -1.601 1.00 0.00 C ATOM 0 H ILE A 26 7.221 -17.028 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 26 6.029 -14.976 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 26 8.987 -14.938 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.753 -13.075 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.591 -14.220 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.986 -12.808 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.483 -14.168 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.265 -13.040 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.458 -11.954 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.715 -13.012 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.864 -11.849 -2.451 1.00 0.00 H new ATOM 387 N GLU A 27 6.653 -16.445 -5.571 1.00 0.00 N ATOM 388 CA GLU A 27 6.975 -17.312 -6.698 1.00 0.00 C ATOM 389 C GLU A 27 8.142 -16.749 -7.503 1.00 0.00 C ATOM 390 O GLU A 27 7.994 -16.406 -8.676 1.00 0.00 O ATOM 391 CB GLU A 27 5.751 -17.485 -7.600 1.00 0.00 C ATOM 392 CG GLU A 27 4.594 -18.204 -6.924 1.00 0.00 C ATOM 393 CD GLU A 27 4.060 -19.358 -7.750 1.00 0.00 C ATOM 394 OE1 GLU A 27 4.879 -20.152 -8.259 1.00 0.00 O ATOM 395 OE2 GLU A 27 2.824 -19.468 -7.888 1.00 0.00 O ATOM 0 H GLU A 27 5.825 -15.866 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 27 7.268 -18.285 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.413 -16.503 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.042 -18.041 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.921 -18.578 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.789 -17.493 -6.737 1.00 0.00 H new ATOM 402 N ASP A 28 9.304 -16.659 -6.864 1.00 0.00 N ATOM 403 CA ASP A 28 10.497 -16.139 -7.522 1.00 0.00 C ATOM 404 C ASP A 28 11.710 -16.226 -6.601 1.00 0.00 C ATOM 405 O ASP A 28 12.725 -16.827 -6.950 1.00 0.00 O ATOM 406 CB ASP A 28 10.274 -14.689 -7.954 1.00 0.00 C ATOM 407 CG ASP A 28 11.387 -14.173 -8.844 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.464 -14.610 -10.012 1.00 0.00 O ATOM 409 OD2 ASP A 28 12.183 -13.332 -8.374 1.00 0.00 O ATOM 0 H ASP A 28 9.445 -16.939 -5.893 1.00 0.00 H new ATOM 0 HA ASP A 28 10.690 -16.749 -8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.324 -14.613 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.197 -14.057 -7.069 1.00 0.00 H new ATOM 414 N LEU A 29 11.598 -15.620 -5.423 1.00 0.00 N ATOM 415 CA LEU A 29 12.687 -15.628 -4.453 1.00 0.00 C ATOM 416 C LEU A 29 12.392 -16.595 -3.310 1.00 0.00 C ATOM 417 O LEU A 29 11.289 -17.132 -3.208 1.00 0.00 O ATOM 418 CB LEU A 29 12.915 -14.220 -3.900 1.00 0.00 C ATOM 419 CG LEU A 29 12.913 -13.106 -4.948 1.00 0.00 C ATOM 420 CD1 LEU A 29 13.126 -11.752 -4.289 1.00 0.00 C ATOM 421 CD2 LEU A 29 13.982 -13.364 -5.999 1.00 0.00 C ATOM 0 H LEU A 29 10.765 -15.118 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 29 13.591 -15.962 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.141 -14.006 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.870 -14.202 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 29 11.941 -13.097 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.122 -10.972 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.325 -11.565 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.084 -11.747 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.967 -12.562 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.961 -13.399 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.785 -14.316 -6.493 1.00 0.00 H new ATOM 433 N GLN A 30 13.386 -16.810 -2.454 1.00 0.00 N ATOM 434 CA GLN A 30 13.233 -17.712 -1.318 1.00 0.00 C ATOM 435 C GLN A 30 13.131 -16.931 -0.012 1.00 0.00 C ATOM 436 O GLN A 30 13.255 -15.707 0.002 1.00 0.00 O ATOM 437 CB GLN A 30 14.410 -18.687 -1.252 1.00 0.00 C ATOM 438 CG GLN A 30 14.235 -19.913 -2.132 1.00 0.00 C ATOM 439 CD GLN A 30 14.843 -19.732 -3.509 1.00 0.00 C ATOM 440 OE1 GLN A 30 16.039 -19.473 -3.643 1.00 0.00 O ATOM 441 NE2 GLN A 30 14.020 -19.867 -4.542 1.00 0.00 N ATOM 0 H GLN A 30 14.305 -16.373 -2.525 1.00 0.00 H new ATOM 0 HA GLN A 30 12.310 -18.276 -1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.320 -18.165 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.547 -19.008 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.695 -20.774 -1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.173 -20.134 -2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.035 -20.082 -4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.372 -19.756 -5.493 1.00 0.00 H new ATOM 450 N VAL A 31 12.905 -17.648 1.084 1.00 0.00 N ATOM 451 CA VAL A 31 12.786 -17.023 2.396 1.00 0.00 C ATOM 452 C VAL A 31 14.061 -16.271 2.764 1.00 0.00 C ATOM 453 O VAL A 31 14.019 -15.273 3.485 1.00 0.00 O ATOM 454 CB VAL A 31 12.483 -18.066 3.490 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.203 -17.382 4.820 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.313 -18.950 3.080 1.00 0.00 C ATOM 0 H VAL A 31 12.801 -18.663 1.089 1.00 0.00 H new ATOM 0 HA VAL A 31 11.956 -16.319 2.337 1.00 0.00 H new ATOM 0 HB VAL A 31 13.361 -18.700 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.991 -18.135 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.074 -16.799 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.343 -16.721 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.115 -19.679 3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.427 -18.333 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.558 -19.471 2.154 1.00 0.00 H new ATOM 466 N ASN A 32 15.194 -16.756 2.267 1.00 0.00 N ATOM 467 CA ASN A 32 16.481 -16.130 2.546 1.00 0.00 C ATOM 468 C ASN A 32 16.627 -14.817 1.783 1.00 0.00 C ATOM 469 O ASN A 32 17.315 -13.899 2.231 1.00 0.00 O ATOM 470 CB ASN A 32 17.624 -17.078 2.175 1.00 0.00 C ATOM 471 CG ASN A 32 17.483 -17.631 0.771 1.00 0.00 C ATOM 472 OD1 ASN A 32 17.137 -18.798 0.583 1.00 0.00 O ATOM 473 ND2 ASN A 32 17.751 -16.796 -0.225 1.00 0.00 N ATOM 0 H ASN A 32 15.247 -17.581 1.669 1.00 0.00 H new ATOM 0 HA ASN A 32 16.527 -15.915 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.573 -16.549 2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.653 -17.903 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.673 -17.113 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.034 -15.837 -0.024 1.00 0.00 H new ATOM 480 N GLN A 33 15.976 -14.732 0.626 1.00 0.00 N ATOM 481 CA GLN A 33 16.034 -13.530 -0.199 1.00 0.00 C ATOM 482 C GLN A 33 15.165 -12.420 0.385 1.00 0.00 C ATOM 483 O GLN A 33 15.390 -11.240 0.118 1.00 0.00 O ATOM 484 CB GLN A 33 15.587 -13.846 -1.627 1.00 0.00 C ATOM 485 CG GLN A 33 16.642 -14.566 -2.450 1.00 0.00 C ATOM 486 CD GLN A 33 16.687 -14.089 -3.888 1.00 0.00 C ATOM 487 OE1 GLN A 33 17.050 -12.944 -4.163 1.00 0.00 O ATOM 488 NE2 GLN A 33 16.316 -14.964 -4.815 1.00 0.00 N ATOM 0 H GLN A 33 15.402 -15.481 0.239 1.00 0.00 H new ATOM 0 HA GLN A 33 17.067 -13.183 -0.216 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.687 -14.459 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.319 -12.916 -2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.619 -14.417 -1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.442 -15.637 -2.433 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.023 -15.902 -4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 33 16.325 -14.698 -5.800 1.00 0.00 H new ATOM 497 N PHE A 34 14.169 -12.804 1.183 1.00 0.00 N ATOM 498 CA PHE A 34 13.264 -11.839 1.802 1.00 0.00 C ATOM 499 C PHE A 34 14.035 -10.686 2.442 1.00 0.00 C ATOM 500 O PHE A 34 13.531 -9.566 2.536 1.00 0.00 O ATOM 501 CB PHE A 34 12.398 -12.530 2.858 1.00 0.00 C ATOM 502 CG PHE A 34 11.176 -13.201 2.295 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.218 -13.833 1.062 1.00 0.00 C ATOM 504 CD2 PHE A 34 9.983 -13.199 3.001 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.096 -14.451 0.544 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.856 -13.816 2.487 1.00 0.00 C ATOM 507 CZ PHE A 34 8.914 -14.443 1.258 1.00 0.00 C ATOM 0 H PHE A 34 13.969 -13.777 1.415 1.00 0.00 H new ATOM 0 HA PHE A 34 12.625 -11.430 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.001 -13.273 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.088 -11.793 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.140 -13.842 0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.933 -12.710 3.963 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.143 -14.940 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.932 -13.807 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.036 -14.927 0.856 1.00 0.00 H new ATOM 517 N LYS A 35 15.257 -10.967 2.880 1.00 0.00 N ATOM 518 CA LYS A 35 16.096 -9.953 3.511 1.00 0.00 C ATOM 519 C LYS A 35 16.352 -8.787 2.560 1.00 0.00 C ATOM 520 O LYS A 35 16.178 -7.625 2.927 1.00 0.00 O ATOM 521 CB LYS A 35 17.425 -10.567 3.957 1.00 0.00 C ATOM 522 CG LYS A 35 17.862 -10.129 5.346 1.00 0.00 C ATOM 523 CD LYS A 35 18.202 -8.647 5.382 1.00 0.00 C ATOM 524 CE LYS A 35 17.739 -8.001 6.678 1.00 0.00 C ATOM 525 NZ LYS A 35 18.047 -6.545 6.713 1.00 0.00 N ATOM 0 H LYS A 35 15.689 -11.888 2.810 1.00 0.00 H new ATOM 0 HA LYS A 35 15.568 -9.573 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.338 -11.653 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.200 -10.297 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.067 -10.338 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.731 -10.710 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.279 -8.517 5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.733 -8.144 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.665 -8.148 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.221 -8.494 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.716 -6.142 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.074 -6.405 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.567 -6.069 5.923 1.00 0.00 H new ATOM 539 N ASN A 36 16.769 -9.105 1.339 1.00 0.00 N ATOM 540 CA ASN A 36 17.052 -8.081 0.338 1.00 0.00 C ATOM 541 C ASN A 36 15.766 -7.412 -0.138 1.00 0.00 C ATOM 542 O ASN A 36 15.742 -6.210 -0.401 1.00 0.00 O ATOM 543 CB ASN A 36 17.795 -8.691 -0.851 1.00 0.00 C ATOM 544 CG ASN A 36 16.989 -9.770 -1.546 1.00 0.00 C ATOM 545 OD1 ASN A 36 15.964 -9.493 -2.169 1.00 0.00 O ATOM 546 ND2 ASN A 36 17.449 -11.012 -1.444 1.00 0.00 N ATOM 0 H ASN A 36 16.918 -10.062 1.018 1.00 0.00 H new ATOM 0 HA ASN A 36 17.683 -7.322 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.037 -7.905 -1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.740 -9.112 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 36 16.948 -11.780 -1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 36 18.303 -11.198 -0.918 1.00 0.00 H new ATOM 553 N VAL A 37 14.699 -8.197 -0.244 1.00 0.00 N ATOM 554 CA VAL A 37 13.411 -7.676 -0.687 1.00 0.00 C ATOM 555 C VAL A 37 12.910 -6.581 0.248 1.00 0.00 C ATOM 556 O VAL A 37 13.013 -6.700 1.470 1.00 0.00 O ATOM 557 CB VAL A 37 12.351 -8.792 -0.771 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.052 -8.257 -1.353 1.00 0.00 C ATOM 559 CG2 VAL A 37 12.870 -9.961 -1.594 1.00 0.00 C ATOM 0 H VAL A 37 14.701 -9.194 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 37 13.564 -7.257 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 37 12.148 -9.149 0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.318 -9.061 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.671 -7.457 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.235 -7.869 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.108 -10.739 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.105 -9.620 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.770 -10.363 -1.128 1.00 0.00 H new ATOM 569 N ILE A 38 12.369 -5.516 -0.333 1.00 0.00 N ATOM 570 CA ILE A 38 11.852 -4.399 0.449 1.00 0.00 C ATOM 571 C ILE A 38 10.600 -3.811 -0.197 1.00 0.00 C ATOM 572 O ILE A 38 10.522 -3.684 -1.419 1.00 0.00 O ATOM 573 CB ILE A 38 12.911 -3.290 0.610 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.384 -2.176 1.519 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.309 -2.730 -0.747 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.473 -1.453 2.281 1.00 0.00 C ATOM 0 H ILE A 38 12.277 -5.403 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 38 11.597 -4.789 1.434 1.00 0.00 H new ATOM 0 HB ILE A 38 13.797 -3.723 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.834 -1.455 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.676 -2.602 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.057 -1.949 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.724 -3.528 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.431 -2.311 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.028 -0.678 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.008 -2.163 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.169 -0.997 1.577 1.00 0.00 H new ATOM 588 N PHE A 39 9.625 -3.455 0.632 1.00 0.00 N ATOM 589 CA PHE A 39 8.377 -2.881 0.142 1.00 0.00 C ATOM 590 C PHE A 39 8.149 -1.492 0.728 1.00 0.00 C ATOM 591 O PHE A 39 7.874 -1.346 1.919 1.00 0.00 O ATOM 592 CB PHE A 39 7.200 -3.793 0.492 1.00 0.00 C ATOM 593 CG PHE A 39 7.324 -5.178 -0.078 1.00 0.00 C ATOM 594 CD1 PHE A 39 6.975 -5.433 -1.395 1.00 0.00 C ATOM 595 CD2 PHE A 39 7.791 -6.223 0.702 1.00 0.00 C ATOM 596 CE1 PHE A 39 7.088 -6.705 -1.922 1.00 0.00 C ATOM 597 CE2 PHE A 39 7.906 -7.497 0.180 1.00 0.00 C ATOM 598 CZ PHE A 39 7.554 -7.739 -1.133 1.00 0.00 C ATOM 0 H PHE A 39 9.675 -3.554 1.646 1.00 0.00 H new ATOM 0 HA PHE A 39 8.449 -2.791 -0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.114 -3.861 1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.278 -3.340 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.611 -4.628 -2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.068 -6.040 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.812 -6.891 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.271 -8.303 0.799 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.643 -8.734 -1.542 1.00 0.00 H new ATOM 608 N GLU A 40 8.266 -0.473 -0.118 1.00 0.00 N ATOM 609 CA GLU A 40 8.073 0.907 0.316 1.00 0.00 C ATOM 610 C GLU A 40 6.620 1.333 0.137 1.00 0.00 C ATOM 611 O GLU A 40 6.074 1.267 -0.964 1.00 0.00 O ATOM 612 CB GLU A 40 8.993 1.843 -0.469 1.00 0.00 C ATOM 613 CG GLU A 40 9.024 3.262 0.075 1.00 0.00 C ATOM 614 CD GLU A 40 9.518 4.267 -0.947 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.262 4.062 -2.152 1.00 0.00 O ATOM 616 OE2 GLU A 40 10.161 5.258 -0.542 1.00 0.00 O ATOM 0 H GLU A 40 8.493 -0.576 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 40 8.323 0.969 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.004 1.437 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.669 1.869 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.023 3.544 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.668 3.296 0.954 1.00 0.00 H new ATOM 623 N ILE A 41 5.999 1.773 1.227 1.00 0.00 N ATOM 624 CA ILE A 41 4.610 2.211 1.191 1.00 0.00 C ATOM 625 C ILE A 41 4.482 3.664 1.636 1.00 0.00 C ATOM 626 O ILE A 41 4.737 3.994 2.794 1.00 0.00 O ATOM 627 CB ILE A 41 3.718 1.330 2.088 1.00 0.00 C ATOM 628 CG1 ILE A 41 3.954 -0.151 1.783 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.253 1.689 1.894 1.00 0.00 C ATOM 630 CD1 ILE A 41 3.586 -1.069 2.929 1.00 0.00 C ATOM 0 H ILE A 41 6.437 1.835 2.146 1.00 0.00 H new ATOM 0 HA ILE A 41 4.275 2.118 0.158 1.00 0.00 H new ATOM 0 HB ILE A 41 3.982 1.514 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.373 -0.430 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.004 -0.299 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.636 1.058 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.097 2.735 2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.975 1.531 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.779 -2.103 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.185 -0.817 3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.529 -0.949 3.166 1.00 0.00 H new ATOM 642 N SER A 42 4.084 4.529 0.708 1.00 0.00 N ATOM 643 CA SER A 42 3.921 5.946 1.005 1.00 0.00 C ATOM 644 C SER A 42 2.469 6.266 1.361 1.00 0.00 C ATOM 645 O SER A 42 1.580 6.159 0.517 1.00 0.00 O ATOM 646 CB SER A 42 4.360 6.792 -0.191 1.00 0.00 C ATOM 647 OG SER A 42 5.772 6.857 -0.279 1.00 0.00 O ATOM 0 H SER A 42 3.869 4.272 -0.255 1.00 0.00 H new ATOM 0 HA SER A 42 4.549 6.185 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.955 6.367 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.952 7.798 -0.098 1.00 0.00 H new ATOM 0 HG SER A 42 6.027 7.402 -1.053 1.00 0.00 H new ATOM 653 N PRO A 43 2.206 6.664 2.619 1.00 0.00 N ATOM 654 CA PRO A 43 0.850 6.996 3.072 1.00 0.00 C ATOM 655 C PRO A 43 0.205 8.083 2.219 1.00 0.00 C ATOM 656 O PRO A 43 0.870 8.720 1.401 1.00 0.00 O ATOM 657 CB PRO A 43 1.060 7.499 4.504 1.00 0.00 C ATOM 658 CG PRO A 43 2.354 6.900 4.934 1.00 0.00 C ATOM 659 CD PRO A 43 3.200 6.821 3.697 1.00 0.00 C ATOM 0 HA PRO A 43 0.179 6.139 3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.098 8.588 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.244 7.187 5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.834 7.513 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.202 5.912 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.802 7.720 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.890 5.978 3.734 1.00 0.00 H new ATOM 667 N THR A 44 -1.093 8.289 2.414 1.00 0.00 N ATOM 668 CA THR A 44 -1.828 9.299 1.661 1.00 0.00 C ATOM 669 C THR A 44 -2.761 10.086 2.575 1.00 0.00 C ATOM 670 O THR A 44 -3.174 9.597 3.627 1.00 0.00 O ATOM 671 CB THR A 44 -2.632 8.642 0.537 1.00 0.00 C ATOM 672 OG1 THR A 44 -3.622 7.778 1.065 1.00 0.00 O ATOM 673 CG2 THR A 44 -1.777 7.835 -0.416 1.00 0.00 C ATOM 0 H THR A 44 -1.658 7.770 3.087 1.00 0.00 H new ATOM 0 HA THR A 44 -1.106 9.990 1.226 1.00 0.00 H new ATOM 0 HB THR A 44 -3.084 9.466 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.594 6.921 0.591 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.408 7.396 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.035 8.486 -0.880 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.271 7.041 0.133 1.00 0.00 H new ATOM 681 N GLU A 45 -3.091 11.306 2.167 1.00 0.00 N ATOM 682 CA GLU A 45 -3.976 12.162 2.949 1.00 0.00 C ATOM 683 C GLU A 45 -5.386 11.583 3.001 1.00 0.00 C ATOM 684 O GLU A 45 -6.102 11.754 3.989 1.00 0.00 O ATOM 685 CB GLU A 45 -4.012 13.571 2.356 1.00 0.00 C ATOM 686 CG GLU A 45 -4.422 14.642 3.355 1.00 0.00 C ATOM 687 CD GLU A 45 -3.232 15.327 3.996 1.00 0.00 C ATOM 688 OE1 GLU A 45 -2.334 15.775 3.252 1.00 0.00 O ATOM 689 OE2 GLU A 45 -3.196 15.416 5.242 1.00 0.00 O ATOM 0 H GLU A 45 -2.759 11.725 1.298 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.586 12.213 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.026 13.814 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.706 13.585 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.037 15.387 2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.039 14.191 4.132 1.00 0.00 H new ATOM 696 N GLU A 46 -5.779 10.899 1.933 1.00 0.00 N ATOM 697 CA GLU A 46 -7.105 10.294 1.857 1.00 0.00 C ATOM 698 C GLU A 46 -7.101 8.897 2.469 1.00 0.00 C ATOM 699 O GLU A 46 -6.102 8.181 2.401 1.00 0.00 O ATOM 700 CB GLU A 46 -7.574 10.229 0.401 1.00 0.00 C ATOM 701 CG GLU A 46 -8.782 11.106 0.112 1.00 0.00 C ATOM 702 CD GLU A 46 -8.440 12.583 0.101 1.00 0.00 C ATOM 703 OE1 GLU A 46 -7.728 13.035 1.022 1.00 0.00 O ATOM 704 OE2 GLU A 46 -8.886 13.289 -0.830 1.00 0.00 O ATOM 0 H GLU A 46 -5.199 10.749 1.107 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.796 10.916 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.753 10.529 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.817 9.196 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.206 10.828 -0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.550 10.920 0.863 1.00 0.00 H new ATOM 711 N VAL A 47 -8.225 8.517 3.069 1.00 0.00 N ATOM 712 CA VAL A 47 -8.352 7.206 3.694 1.00 0.00 C ATOM 713 C VAL A 47 -8.900 6.178 2.708 1.00 0.00 C ATOM 714 O VAL A 47 -9.734 6.498 1.862 1.00 0.00 O ATOM 715 CB VAL A 47 -9.268 7.262 4.932 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.673 7.698 4.543 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.298 5.913 5.639 1.00 0.00 C ATOM 0 H VAL A 47 -9.060 9.099 3.135 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.353 6.904 4.007 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.863 8.001 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.303 7.731 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.634 8.688 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.090 6.988 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.950 5.973 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.675 5.152 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.290 5.647 5.958 1.00 0.00 H new ATOM 727 N GLY A 48 -8.424 4.943 2.824 1.00 0.00 N ATOM 728 CA GLY A 48 -8.878 3.888 1.937 1.00 0.00 C ATOM 729 C GLY A 48 -7.865 3.561 0.857 1.00 0.00 C ATOM 730 O GLY A 48 -7.654 2.393 0.528 1.00 0.00 O ATOM 0 H GLY A 48 -7.732 4.654 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.084 2.991 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.817 4.188 1.471 1.00 0.00 H new ATOM 734 N ASP A 49 -7.237 4.594 0.306 1.00 0.00 N ATOM 735 CA ASP A 49 -6.240 4.411 -0.743 1.00 0.00 C ATOM 736 C ASP A 49 -4.829 4.451 -0.165 1.00 0.00 C ATOM 737 O ASP A 49 -4.525 5.272 0.701 1.00 0.00 O ATOM 738 CB ASP A 49 -6.394 5.490 -1.816 1.00 0.00 C ATOM 739 CG ASP A 49 -5.999 4.994 -3.193 1.00 0.00 C ATOM 740 OD1 ASP A 49 -4.787 4.976 -3.492 1.00 0.00 O ATOM 741 OD2 ASP A 49 -6.903 4.624 -3.972 1.00 0.00 O ATOM 0 H ASP A 49 -7.400 5.566 0.568 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.401 3.433 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.429 5.831 -1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.780 6.351 -1.553 1.00 0.00 H new ATOM 746 N PHE A 50 -3.971 3.559 -0.649 1.00 0.00 N ATOM 747 CA PHE A 50 -2.592 3.492 -0.181 1.00 0.00 C ATOM 748 C PHE A 50 -1.618 3.476 -1.354 1.00 0.00 C ATOM 749 O PHE A 50 -1.982 3.106 -2.470 1.00 0.00 O ATOM 750 CB PHE A 50 -2.385 2.247 0.685 1.00 0.00 C ATOM 751 CG PHE A 50 -3.431 2.074 1.749 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.455 2.905 2.857 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.392 1.081 1.638 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.417 2.749 3.837 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.355 0.919 2.616 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.368 1.755 3.716 1.00 0.00 C ATOM 0 H PHE A 50 -4.207 2.872 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.396 4.381 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.381 1.365 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.404 2.302 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.713 3.684 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.388 0.427 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.425 3.403 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.097 0.140 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.121 1.631 4.480 1.00 0.00 H new ATOM 766 N GLU A 51 -0.379 3.880 -1.095 1.00 0.00 N ATOM 767 CA GLU A 51 0.648 3.913 -2.130 1.00 0.00 C ATOM 768 C GLU A 51 1.723 2.864 -1.863 1.00 0.00 C ATOM 769 O GLU A 51 2.547 3.020 -0.962 1.00 0.00 O ATOM 770 CB GLU A 51 1.283 5.303 -2.205 1.00 0.00 C ATOM 771 CG GLU A 51 1.782 5.670 -3.592 1.00 0.00 C ATOM 772 CD GLU A 51 1.915 7.167 -3.786 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.913 7.808 -4.169 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.021 7.700 -3.556 1.00 0.00 O ATOM 0 H GLU A 51 -0.061 4.189 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 51 0.173 3.687 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.552 6.045 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.116 5.351 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.749 5.198 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.096 5.270 -4.339 1.00 0.00 H new ATOM 781 N VAL A 52 1.708 1.795 -2.652 1.00 0.00 N ATOM 782 CA VAL A 52 2.680 0.720 -2.502 1.00 0.00 C ATOM 783 C VAL A 52 3.685 0.722 -3.649 1.00 0.00 C ATOM 784 O VAL A 52 3.329 0.986 -4.797 1.00 0.00 O ATOM 785 CB VAL A 52 1.992 -0.657 -2.440 1.00 0.00 C ATOM 786 CG1 VAL A 52 2.997 -1.742 -2.086 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.846 -0.636 -1.440 1.00 0.00 C ATOM 0 H VAL A 52 1.032 1.651 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 52 3.204 0.898 -1.563 1.00 0.00 H new ATOM 0 HB VAL A 52 1.582 -0.882 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.492 -2.707 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.781 -1.773 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.440 -1.525 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.372 -1.617 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.231 -0.388 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.113 0.112 -1.742 1.00 0.00 H new ATOM 797 N LYS A 53 4.940 0.426 -3.330 1.00 0.00 N ATOM 798 CA LYS A 53 5.997 0.393 -4.335 1.00 0.00 C ATOM 799 C LYS A 53 7.090 -0.595 -3.943 1.00 0.00 C ATOM 800 O LYS A 53 7.764 -0.419 -2.928 1.00 0.00 O ATOM 801 CB LYS A 53 6.597 1.789 -4.520 1.00 0.00 C ATOM 802 CG LYS A 53 7.647 1.858 -5.617 1.00 0.00 C ATOM 803 CD LYS A 53 7.179 2.709 -6.788 1.00 0.00 C ATOM 804 CE LYS A 53 7.797 4.098 -6.748 1.00 0.00 C ATOM 805 NZ LYS A 53 9.133 4.131 -7.404 1.00 0.00 N ATOM 0 H LYS A 53 5.251 0.205 -2.384 1.00 0.00 H new ATOM 0 HA LYS A 53 5.558 0.066 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.796 2.492 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.044 2.111 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.570 2.272 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.875 0.851 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.444 2.218 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.092 2.792 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.132 4.805 -7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.893 4.423 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.520 5.095 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.776 3.475 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.038 3.846 -8.400 1.00 0.00 H new ATOM 819 N ALA A 54 7.260 -1.634 -4.754 1.00 0.00 N ATOM 820 CA ALA A 54 8.271 -2.651 -4.492 1.00 0.00 C ATOM 821 C ALA A 54 9.593 -2.294 -5.162 1.00 0.00 C ATOM 822 O ALA A 54 9.688 -2.253 -6.389 1.00 0.00 O ATOM 823 CB ALA A 54 7.786 -4.011 -4.969 1.00 0.00 C ATOM 0 H ALA A 54 6.710 -1.794 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 54 8.439 -2.694 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.551 -4.761 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.870 -4.276 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.590 -3.972 -6.040 1.00 0.00 H new ATOM 974 N PHE A 64 2.091 1.686 -7.235 1.00 0.00 N ATOM 975 CA PHE A 64 1.061 0.655 -7.189 1.00 0.00 C ATOM 976 C PHE A 64 -0.121 1.103 -6.334 1.00 0.00 C ATOM 977 O PHE A 64 -0.041 1.118 -5.106 1.00 0.00 O ATOM 978 CB PHE A 64 1.639 -0.648 -6.635 1.00 0.00 C ATOM 979 CG PHE A 64 0.719 -1.827 -6.785 1.00 0.00 C ATOM 980 CD1 PHE A 64 0.595 -2.475 -8.003 1.00 0.00 C ATOM 981 CD2 PHE A 64 -0.020 -2.285 -5.706 1.00 0.00 C ATOM 982 CE1 PHE A 64 -0.250 -3.559 -8.143 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.867 -3.370 -5.840 1.00 0.00 C ATOM 984 CZ PHE A 64 -0.982 -4.007 -7.061 1.00 0.00 C ATOM 0 HA PHE A 64 0.707 0.485 -8.206 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.578 -0.864 -7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.872 -0.512 -5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.165 -2.129 -8.853 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.066 -1.789 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.338 -4.056 -9.098 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.438 -3.719 -4.992 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.643 -4.854 -7.169 1.00 0.00 H new ATOM 994 N MET A 65 -1.216 1.467 -6.991 1.00 0.00 N ATOM 995 CA MET A 65 -2.415 1.915 -6.291 1.00 0.00 C ATOM 996 C MET A 65 -3.193 0.728 -5.732 1.00 0.00 C ATOM 997 O MET A 65 -3.679 -0.118 -6.483 1.00 0.00 O ATOM 998 CB MET A 65 -3.308 2.729 -7.231 1.00 0.00 C ATOM 999 CG MET A 65 -4.125 3.794 -6.520 1.00 0.00 C ATOM 1000 SD MET A 65 -4.612 5.141 -7.616 1.00 0.00 S ATOM 1001 CE MET A 65 -5.091 6.391 -6.426 1.00 0.00 C ATOM 0 H MET A 65 -1.299 1.461 -8.008 1.00 0.00 H new ATOM 0 HA MET A 65 -2.105 2.548 -5.460 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.686 3.205 -7.988 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.984 2.052 -7.753 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.018 3.337 -6.093 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.545 4.197 -5.690 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.299 7.327 -6.945 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.985 6.064 -5.895 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.281 6.544 -5.713 1.00 0.00 H new ATOM 1011 N LEU A 66 -3.306 0.672 -4.409 1.00 0.00 N ATOM 1012 CA LEU A 66 -4.025 -0.412 -3.748 1.00 0.00 C ATOM 1013 C LEU A 66 -5.286 0.107 -3.067 1.00 0.00 C ATOM 1014 O LEU A 66 -5.223 0.694 -1.986 1.00 0.00 O ATOM 1015 CB LEU A 66 -3.122 -1.098 -2.722 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.665 -2.412 -2.158 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.591 -3.514 -3.204 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.898 -2.810 -0.907 1.00 0.00 C ATOM 0 H LEU A 66 -2.909 1.364 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.317 -1.137 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.154 -1.291 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.949 -0.409 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.711 -2.266 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.982 -4.441 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.184 -3.231 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.554 -3.661 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.297 -3.747 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.844 -2.938 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.003 -2.030 -0.152 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.431 -0.112 -3.705 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.709 0.333 -3.159 1.00 0.00 C ATOM 1032 C HIS A 67 -8.109 -0.510 -1.953 1.00 0.00 C ATOM 1033 O HIS A 67 -7.467 -1.514 -1.644 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.797 0.262 -4.233 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.123 1.589 -4.844 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -9.329 2.731 -4.099 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -9.277 1.954 -6.140 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -9.597 3.740 -4.909 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -9.571 3.296 -6.152 1.00 0.00 N ATOM 0 H HIS A 67 -6.501 -0.595 -4.601 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.598 1.367 -2.833 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.476 -0.422 -5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.702 -0.159 -3.795 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.186 1.310 -7.002 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.803 4.756 -4.606 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.742 3.858 -6.986 1.00 0.00 H new ATOM 1048 N TYR A 68 -9.173 -0.094 -1.274 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.661 -0.810 -0.101 1.00 0.00 C ATOM 1050 C TYR A 68 -10.853 -1.692 -0.457 1.00 0.00 C ATOM 1051 O TYR A 68 -11.056 -2.749 0.140 1.00 0.00 O ATOM 1052 CB TYR A 68 -10.055 0.178 0.998 1.00 0.00 C ATOM 1053 CG TYR A 68 -10.070 -0.429 2.383 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -8.940 -1.046 2.904 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -11.214 -0.383 3.169 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -8.950 -1.601 4.170 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -11.233 -0.936 4.435 1.00 0.00 C ATOM 1058 CZ TYR A 68 -10.099 -1.544 4.931 1.00 0.00 C ATOM 1059 OH TYR A 68 -10.112 -2.095 6.192 1.00 0.00 O ATOM 0 H TYR A 68 -9.714 0.736 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.856 -1.448 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.360 1.017 0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.044 0.580 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.039 -1.093 2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.104 0.093 2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.063 -2.077 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.131 -0.892 5.033 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.996 -1.969 6.595 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.638 -1.251 -1.434 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.811 -2.001 -1.870 1.00 0.00 C ATOM 1071 C GLN A 69 -12.408 -3.349 -2.459 1.00 0.00 C ATOM 1072 O GLN A 69 -13.149 -4.327 -2.358 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.602 -1.192 -2.901 1.00 0.00 C ATOM 1074 CG GLN A 69 -15.003 -0.824 -2.440 1.00 0.00 C ATOM 1075 CD GLN A 69 -15.014 0.376 -1.512 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -14.773 1.505 -1.936 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -15.295 0.134 -0.236 1.00 0.00 N ATOM 0 H GLN A 69 -11.484 -0.378 -1.939 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.442 -2.183 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.053 -0.279 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.671 -1.766 -3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.624 -0.612 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.450 -1.677 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.489 -0.819 0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.317 0.901 0.436 1.00 0.00 H new ATOM 1086 N ASP A 70 -11.230 -3.393 -3.073 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.729 -4.622 -3.678 1.00 0.00 C ATOM 1088 C ASP A 70 -10.245 -5.598 -2.610 1.00 0.00 C ATOM 1089 O ASP A 70 -10.474 -6.803 -2.708 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.593 -4.308 -4.653 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.986 -3.264 -5.679 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -10.169 -2.089 -5.293 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -10.110 -3.620 -6.871 1.00 0.00 O ATOM 0 H ASP A 70 -10.605 -2.592 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.549 -5.089 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.725 -3.957 -4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.294 -5.223 -5.165 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.573 -5.068 -1.593 1.00 0.00 N ATOM 1099 CA LEU A 71 -9.057 -5.895 -0.507 1.00 0.00 C ATOM 1100 C LEU A 71 -10.187 -6.628 0.206 1.00 0.00 C ATOM 1101 O LEU A 71 -10.138 -7.845 0.381 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.282 -5.033 0.492 1.00 0.00 C ATOM 1103 CG LEU A 71 -7.135 -4.217 -0.108 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.581 -3.240 0.917 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -6.037 -5.139 -0.618 1.00 0.00 C ATOM 0 H LEU A 71 -9.373 -4.072 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.384 -6.637 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.979 -4.349 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.878 -5.680 1.270 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.523 -3.645 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.766 -2.669 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.371 -2.559 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.208 -3.791 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.229 -4.543 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.652 -5.738 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.443 -5.798 -1.386 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.205 -5.877 0.616 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.349 -6.456 1.312 1.00 0.00 C ATOM 1119 C LEU A 72 -13.099 -7.432 0.412 1.00 0.00 C ATOM 1120 O LEU A 72 -13.681 -8.407 0.887 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.295 -5.349 1.784 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.697 -4.380 2.804 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.566 -3.139 2.936 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.530 -5.063 4.153 1.00 0.00 C ATOM 0 H LEU A 72 -11.261 -4.868 0.479 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.977 -7.004 2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.626 -4.780 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.181 -5.810 2.220 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.713 -4.072 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.124 -2.461 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.634 -2.638 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.564 -3.427 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.103 -4.359 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.502 -5.400 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.865 -5.920 4.047 1.00 0.00 H new ATOM 1136 N GLN A 73 -13.080 -7.165 -0.890 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.758 -8.021 -1.856 1.00 0.00 C ATOM 1138 C GLN A 73 -13.173 -9.430 -1.840 1.00 0.00 C ATOM 1139 O GLN A 73 -13.885 -10.411 -2.055 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.652 -7.424 -3.260 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.968 -7.421 -4.021 1.00 0.00 C ATOM 1142 CD GLN A 73 -15.091 -8.590 -4.979 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -14.090 -9.168 -5.402 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -16.323 -8.945 -5.325 1.00 0.00 N ATOM 0 H GLN A 73 -12.602 -6.362 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.809 -8.083 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.284 -6.401 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.913 -7.987 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.794 -7.450 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.059 -6.489 -4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.124 -8.437 -4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.468 -9.725 -5.966 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.872 -9.522 -1.586 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.192 -10.811 -1.542 1.00 0.00 C ATOM 1155 C LEU A 74 -11.711 -11.663 -0.388 1.00 0.00 C ATOM 1156 O LEU A 74 -11.982 -12.852 -0.555 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.681 -10.609 -1.404 1.00 0.00 C ATOM 1158 CG LEU A 74 -9.005 -9.937 -2.600 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.689 -9.299 -2.180 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -8.780 -10.942 -3.719 1.00 0.00 C ATOM 0 H LEU A 74 -11.268 -8.720 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.398 -11.334 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.490 -10.009 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.214 -11.580 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.663 -9.152 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.222 -8.826 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.877 -8.548 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.024 -10.065 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.298 -10.446 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.142 -11.750 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.738 -11.351 -4.038 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.846 -11.046 0.781 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.333 -11.749 1.962 1.00 0.00 C ATOM 1174 C GLN A 75 -13.802 -12.128 1.801 1.00 0.00 C ATOM 1175 O GLN A 75 -14.252 -13.144 2.331 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.148 -10.880 3.209 1.00 0.00 C ATOM 1177 CG GLN A 75 -10.945 -11.273 4.050 1.00 0.00 C ATOM 1178 CD GLN A 75 -10.770 -10.389 5.269 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -11.600 -10.397 6.179 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -9.689 -9.619 5.292 1.00 0.00 N ATOM 0 H GLN A 75 -11.625 -10.062 0.936 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.753 -12.664 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.043 -9.839 2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.047 -10.944 3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.054 -12.309 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.045 -11.221 3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.028 -9.645 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.520 -9.001 6.086 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.544 -11.304 1.069 1.00 0.00 N ATOM 1190 CA TYR A 76 -15.963 -11.554 0.839 1.00 0.00 C ATOM 1191 C TYR A 76 -16.160 -12.708 -0.138 1.00 0.00 C ATOM 1192 O TYR A 76 -17.103 -13.489 -0.009 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.644 -10.294 0.302 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.152 -10.401 0.240 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -18.770 -11.242 -0.677 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -18.955 -9.662 1.098 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.147 -11.342 -0.737 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.333 -9.756 1.045 1.00 0.00 C ATOM 1199 CZ TYR A 76 -20.924 -10.598 0.126 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.295 -10.695 0.069 1.00 0.00 O ATOM 0 H TYR A 76 -14.187 -10.458 0.625 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.418 -11.826 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.374 -9.448 0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.262 -10.082 -0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.165 -11.827 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.495 -9.002 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.612 -12.000 -1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.943 -9.174 1.719 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.693 -10.107 0.745 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.265 -12.810 -1.115 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.341 -13.870 -2.114 1.00 0.00 C ATOM 1212 C GLU A 77 -14.740 -15.166 -1.579 1.00 0.00 C ATOM 1213 O GLU A 77 -15.437 -16.171 -1.435 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.614 -13.447 -3.392 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.332 -12.353 -4.166 1.00 0.00 C ATOM 1216 CD GLU A 77 -15.008 -12.379 -5.647 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -13.835 -12.140 -6.002 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -15.928 -12.638 -6.451 1.00 0.00 O ATOM 0 H GLU A 77 -14.479 -12.172 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.392 -14.045 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.613 -13.101 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.493 -14.318 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.408 -12.464 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.057 -11.382 -3.755 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.444 -15.136 -1.287 1.00 0.00 N ATOM 1226 CA GLY A 78 -12.772 -16.313 -0.771 1.00 0.00 C ATOM 1227 C GLY A 78 -11.323 -16.392 -1.209 1.00 0.00 C ATOM 1228 O GLY A 78 -10.850 -17.450 -1.624 1.00 0.00 O ATOM 0 H GLY A 78 -12.847 -14.317 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.819 -16.307 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.299 -17.206 -1.108 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.617 -15.270 -1.117 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.213 -15.215 -1.507 1.00 0.00 C ATOM 1234 C VAL A 79 -8.344 -14.711 -0.361 1.00 0.00 C ATOM 1235 O VAL A 79 -8.192 -13.505 -0.168 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.005 -14.305 -2.733 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.582 -14.427 -3.253 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.011 -14.640 -3.824 1.00 0.00 C ATOM 0 H VAL A 79 -10.994 -14.386 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.917 -16.232 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.167 -13.271 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.454 -13.777 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.882 -14.132 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.388 -15.460 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.849 -13.987 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.884 -15.679 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.022 -14.495 -3.444 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.775 -15.642 0.397 1.00 0.00 N ATOM 1249 CA ALA A 80 -6.919 -15.292 1.525 1.00 0.00 C ATOM 1250 C ALA A 80 -5.549 -14.819 1.050 1.00 0.00 C ATOM 1251 O ALA A 80 -4.918 -13.977 1.688 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.774 -16.479 2.464 1.00 0.00 C ATOM 0 H ALA A 80 -7.891 -16.645 0.251 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.389 -14.470 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.133 -16.204 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.756 -16.769 2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.329 -17.316 1.926 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.096 -15.368 -0.072 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.800 -15.002 -0.631 1.00 0.00 C ATOM 1260 C VAL A 81 -3.961 -14.065 -1.824 1.00 0.00 C ATOM 1261 O VAL A 81 -4.788 -14.302 -2.704 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.007 -16.245 -1.073 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.585 -15.865 -1.454 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.009 -17.299 0.025 1.00 0.00 C ATOM 0 H VAL A 81 -5.606 -16.067 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.249 -14.491 0.158 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.493 -16.668 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.041 -16.757 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.607 -15.150 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.086 -15.415 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.444 -18.170 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.550 -16.888 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.035 -17.594 0.244 1.00 0.00 H new ATOM 1274 N MET A 82 -3.163 -13.003 -1.847 1.00 0.00 N ATOM 1275 CA MET A 82 -3.217 -12.030 -2.933 1.00 0.00 C ATOM 1276 C MET A 82 -1.980 -12.135 -3.818 1.00 0.00 C ATOM 1277 O MET A 82 -0.851 -12.131 -3.327 1.00 0.00 O ATOM 1278 CB MET A 82 -3.338 -10.613 -2.370 1.00 0.00 C ATOM 1279 CG MET A 82 -3.436 -9.539 -3.442 1.00 0.00 C ATOM 1280 SD MET A 82 -4.559 -8.205 -2.988 1.00 0.00 S ATOM 1281 CE MET A 82 -3.460 -7.141 -2.055 1.00 0.00 C ATOM 0 H MET A 82 -2.472 -12.794 -1.127 1.00 0.00 H new ATOM 0 HA MET A 82 -4.095 -12.248 -3.540 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.220 -10.559 -1.731 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.474 -10.407 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.445 -9.126 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.774 -9.992 -4.374 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.043 -6.528 -1.368 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.756 -7.751 -1.489 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.911 -6.495 -2.740 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.200 -12.229 -5.125 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.103 -12.335 -6.079 1.00 0.00 C ATOM 1293 C LYS A 83 -0.626 -10.954 -6.517 1.00 0.00 C ATOM 1294 O LYS A 83 -1.239 -10.317 -7.374 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.538 -13.147 -7.301 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.438 -13.326 -8.335 1.00 0.00 C ATOM 1297 CD LYS A 83 0.523 -14.440 -7.946 1.00 0.00 C ATOM 1298 CE LYS A 83 0.517 -15.566 -8.966 1.00 0.00 C ATOM 1299 NZ LYS A 83 1.884 -16.106 -9.205 1.00 0.00 N ATOM 0 H LYS A 83 -3.128 -12.234 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.276 -12.846 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.879 -14.129 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.390 -12.654 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.883 -13.551 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.113 -12.392 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.531 -14.036 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.248 -14.833 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.134 -16.368 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.101 -15.203 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.822 -16.957 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.462 -15.388 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.324 -16.351 -8.295 1.00 0.00 H new ATOM 1313 N LEU A 84 0.472 -10.497 -5.923 1.00 0.00 N ATOM 1314 CA LEU A 84 1.031 -9.192 -6.252 1.00 0.00 C ATOM 1315 C LEU A 84 2.226 -9.333 -7.190 1.00 0.00 C ATOM 1316 O LEU A 84 3.101 -10.171 -6.974 1.00 0.00 O ATOM 1317 CB LEU A 84 1.452 -8.459 -4.976 1.00 0.00 C ATOM 1318 CG LEU A 84 0.332 -7.689 -4.273 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.452 -7.831 -2.762 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.358 -6.222 -4.676 1.00 0.00 C ATOM 0 H LEU A 84 0.991 -11.011 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 84 0.261 -8.611 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.867 -9.186 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.252 -7.762 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.623 -8.113 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.353 -7.277 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.382 -8.884 -2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.413 -7.434 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.446 -5.690 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.317 -5.785 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.222 -6.138 -5.754 1.00 0.00 H new ATOM 1332 N PHE A 85 2.254 -8.509 -8.232 1.00 0.00 N ATOM 1333 CA PHE A 85 3.340 -8.542 -9.205 1.00 0.00 C ATOM 1334 C PHE A 85 3.443 -9.915 -9.865 1.00 0.00 C ATOM 1335 O PHE A 85 4.499 -10.292 -10.373 1.00 0.00 O ATOM 1336 CB PHE A 85 4.666 -8.186 -8.531 1.00 0.00 C ATOM 1337 CG PHE A 85 4.588 -6.967 -7.657 1.00 0.00 C ATOM 1338 CD1 PHE A 85 3.959 -5.817 -8.107 1.00 0.00 C ATOM 1339 CD2 PHE A 85 5.143 -6.971 -6.388 1.00 0.00 C ATOM 1340 CE1 PHE A 85 3.886 -4.693 -7.307 1.00 0.00 C ATOM 1341 CE2 PHE A 85 5.072 -5.850 -5.583 1.00 0.00 C ATOM 1342 CZ PHE A 85 4.443 -4.709 -6.043 1.00 0.00 C ATOM 0 H PHE A 85 1.537 -7.810 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 85 3.123 -7.805 -9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.997 -9.033 -7.930 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.422 -8.024 -9.299 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.521 -5.799 -9.094 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.637 -7.860 -6.024 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.394 -3.803 -7.670 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.508 -5.866 -4.595 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.387 -3.832 -5.416 1.00 0.00 H new ATOM 1352 N ASP A 86 2.340 -10.660 -9.854 1.00 0.00 N ATOM 1353 CA ASP A 86 2.308 -11.990 -10.452 1.00 0.00 C ATOM 1354 C ASP A 86 3.408 -12.881 -9.878 1.00 0.00 C ATOM 1355 O ASP A 86 3.877 -13.806 -10.540 1.00 0.00 O ATOM 1356 CB ASP A 86 2.456 -11.892 -11.972 1.00 0.00 C ATOM 1357 CG ASP A 86 1.444 -12.746 -12.709 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.240 -12.417 -12.659 1.00 0.00 O ATOM 1359 OD2 ASP A 86 1.855 -13.745 -13.337 1.00 0.00 O ATOM 0 H ASP A 86 1.457 -10.364 -9.437 1.00 0.00 H new ATOM 0 HA ASP A 86 1.345 -12.441 -10.214 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.342 -10.852 -12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.462 -12.199 -12.257 1.00 0.00 H new ATOM 1364 N ARG A 87 3.814 -12.595 -8.645 1.00 0.00 N ATOM 1365 CA ARG A 87 4.858 -13.371 -7.985 1.00 0.00 C ATOM 1366 C ARG A 87 4.671 -13.361 -6.471 1.00 0.00 C ATOM 1367 O ARG A 87 4.265 -14.361 -5.879 1.00 0.00 O ATOM 1368 CB ARG A 87 6.239 -12.817 -8.344 1.00 0.00 C ATOM 1369 CG ARG A 87 6.865 -13.479 -9.560 1.00 0.00 C ATOM 1370 CD ARG A 87 7.723 -12.501 -10.347 1.00 0.00 C ATOM 1371 NE ARG A 87 7.587 -12.691 -11.788 1.00 0.00 N ATOM 1372 CZ ARG A 87 8.461 -12.234 -12.683 1.00 0.00 C ATOM 1373 NH1 ARG A 87 9.535 -11.561 -12.288 1.00 0.00 N ATOM 1374 NH2 ARG A 87 8.261 -12.451 -13.976 1.00 0.00 N ATOM 0 H ARG A 87 3.436 -11.832 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 87 4.785 -14.401 -8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.155 -11.746 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.904 -12.943 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.474 -14.325 -9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.080 -13.876 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.440 -11.481 -10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.768 -12.625 -10.062 1.00 0.00 H new ATOM 0 HE ARG A 87 6.774 -13.204 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.694 -11.392 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.201 -11.213 -12.978 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.438 -12.968 -14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.930 -12.101 -14.661 1.00 0.00 H new ATOM 1388 N ALA A 88 4.973 -12.224 -5.852 1.00 0.00 N ATOM 1389 CA ALA A 88 4.842 -12.081 -4.407 1.00 0.00 C ATOM 1390 C ALA A 88 3.413 -12.362 -3.952 1.00 0.00 C ATOM 1391 O ALA A 88 2.453 -12.015 -4.639 1.00 0.00 O ATOM 1392 CB ALA A 88 5.269 -10.688 -3.975 1.00 0.00 C ATOM 0 H ALA A 88 5.310 -11.388 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 88 5.496 -12.814 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.166 -10.595 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.309 -10.523 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.638 -9.946 -4.465 1.00 0.00 H new ATOM 1398 N LYS A 89 3.282 -12.993 -2.790 1.00 0.00 N ATOM 1399 CA LYS A 89 1.972 -13.321 -2.240 1.00 0.00 C ATOM 1400 C LYS A 89 1.832 -12.786 -0.819 1.00 0.00 C ATOM 1401 O LYS A 89 2.700 -13.006 0.027 1.00 0.00 O ATOM 1402 CB LYS A 89 1.757 -14.835 -2.251 1.00 0.00 C ATOM 1403 CG LYS A 89 1.412 -15.390 -3.624 1.00 0.00 C ATOM 1404 CD LYS A 89 1.613 -16.896 -3.683 1.00 0.00 C ATOM 1405 CE LYS A 89 1.632 -17.399 -5.117 1.00 0.00 C ATOM 1406 NZ LYS A 89 0.257 -17.544 -5.673 1.00 0.00 N ATOM 0 H LYS A 89 4.068 -13.288 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 89 1.213 -12.849 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.660 -15.325 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.956 -15.085 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.376 -15.150 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.034 -14.909 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.550 -17.159 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.814 -17.393 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.203 -16.708 -5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.143 -18.361 -5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.313 -17.889 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.281 -18.223 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.223 -16.621 -5.658 1.00 0.00 H new ATOM 1420 N VAL A 90 0.735 -12.080 -0.562 1.00 0.00 N ATOM 1421 CA VAL A 90 0.482 -11.513 0.758 1.00 0.00 C ATOM 1422 C VAL A 90 -0.873 -11.957 1.296 1.00 0.00 C ATOM 1423 O VAL A 90 -1.794 -12.239 0.531 1.00 0.00 O ATOM 1424 CB VAL A 90 0.529 -9.973 0.727 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.451 -9.409 2.137 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.786 -9.487 0.019 1.00 0.00 C ATOM 0 H VAL A 90 0.007 -11.887 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 90 1.270 -11.880 1.416 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.335 -9.614 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.486 -8.320 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.482 -9.725 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.293 -9.777 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.799 -8.397 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.666 -9.855 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.794 -9.860 -1.005 1.00 0.00 H new ATOM 1436 N ASN A 91 -0.989 -12.012 2.619 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.233 -12.418 3.261 1.00 0.00 C ATOM 1438 C ASN A 91 -3.202 -11.245 3.352 1.00 0.00 C ATOM 1439 O ASN A 91 -2.875 -10.199 3.911 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.953 -12.974 4.659 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.004 -13.972 5.105 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -3.257 -14.969 4.428 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.622 -13.709 6.250 1.00 0.00 N ATOM 0 H ASN A 91 -0.236 -11.780 3.267 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.690 -13.199 2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.974 -13.453 4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.911 -12.151 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.338 -14.345 6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.381 -12.871 6.779 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.396 -11.426 2.798 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.413 -10.382 2.816 1.00 0.00 C ATOM 1452 C VAL A 92 -5.970 -10.178 4.221 1.00 0.00 C ATOM 1453 O VAL A 92 -6.379 -9.075 4.584 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.575 -10.712 1.859 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.531 -9.534 1.749 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.043 -11.104 0.487 1.00 0.00 C ATOM 0 H VAL A 92 -4.683 -12.286 2.331 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.927 -9.464 2.484 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.125 -11.560 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.344 -9.788 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.940 -9.304 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.995 -8.665 1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.878 -11.333 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.466 -10.278 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.403 -11.982 0.582 1.00 0.00 H new ATOM 1466 N ASN A 93 -5.986 -11.249 5.006 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.496 -11.189 6.372 1.00 0.00 C ATOM 1468 C ASN A 93 -5.538 -10.427 7.283 1.00 0.00 C ATOM 1469 O ASN A 93 -5.956 -9.827 8.274 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.720 -12.602 6.916 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.159 -13.057 6.768 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.928 -12.483 5.998 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.529 -14.095 7.510 1.00 0.00 N ATOM 0 H ASN A 93 -5.652 -12.170 4.721 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.447 -10.657 6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.066 -13.298 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.439 -12.632 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.485 -14.447 7.455 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.857 -14.540 8.135 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.253 -10.455 6.945 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.240 -9.769 7.739 1.00 0.00 C ATOM 1482 C LEU A 94 -2.824 -8.454 7.085 1.00 0.00 C ATOM 1483 O LEU A 94 -2.410 -7.516 7.767 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.016 -10.667 7.927 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.262 -11.928 8.758 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.360 -13.060 8.288 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.036 -11.643 10.235 1.00 0.00 C ATOM 0 H LEU A 94 -3.889 -10.945 6.128 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.674 -9.544 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.647 -10.963 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.226 -10.085 8.402 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.299 -12.236 8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.548 -13.949 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.568 -13.280 7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.317 -12.763 8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.215 -12.550 10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.009 -11.312 10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.722 -10.862 10.564 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.933 -8.392 5.761 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.564 -7.190 5.019 1.00 0.00 C ATOM 1501 C LEU A 95 -3.350 -5.979 5.513 1.00 0.00 C ATOM 1502 O LEU A 95 -2.793 -4.894 5.684 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.809 -7.395 3.522 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.536 -6.170 2.647 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -1.079 -5.752 2.757 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.904 -6.459 1.199 1.00 0.00 C ATOM 0 H LEU A 95 -3.273 -9.159 5.180 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.503 -7.003 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.182 -8.217 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.845 -7.702 3.378 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.156 -5.346 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.902 -4.879 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.849 -5.505 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.440 -6.571 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.704 -5.578 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.310 -7.296 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.963 -6.711 1.136 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.645 -6.170 5.740 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.505 -5.092 6.213 1.00 0.00 C ATOM 1520 C ILE A 96 -5.283 -4.820 7.697 1.00 0.00 C ATOM 1521 O ILE A 96 -5.429 -3.688 8.158 1.00 0.00 O ATOM 1522 CB ILE A 96 -6.994 -5.418 5.980 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.222 -5.865 4.534 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -7.859 -4.211 6.310 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.484 -6.678 4.344 1.00 0.00 C ATOM 0 H ILE A 96 -5.122 -7.061 5.604 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.240 -4.203 5.640 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.279 -6.236 6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.267 -4.985 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.366 -6.455 4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.907 -4.457 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.716 -3.935 7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.575 -3.374 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.581 -6.960 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.434 -7.577 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.348 -6.083 4.641 1.00 0.00 H new ATOM 1537 N PHE A 97 -4.930 -5.864 8.439 1.00 0.00 N ATOM 1538 CA PHE A 97 -4.689 -5.737 9.871 1.00 0.00 C ATOM 1539 C PHE A 97 -3.547 -4.764 10.150 1.00 0.00 C ATOM 1540 O PHE A 97 -3.626 -3.944 11.065 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.367 -7.104 10.478 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.367 -7.110 11.980 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -5.551 -7.245 12.686 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -3.181 -6.979 12.686 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -5.554 -7.251 14.068 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -3.178 -6.984 14.068 1.00 0.00 C ATOM 1547 CZ PHE A 97 -4.366 -7.120 14.760 1.00 0.00 C ATOM 0 H PHE A 97 -4.804 -6.807 8.072 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.596 -5.345 10.331 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.095 -7.832 10.120 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.390 -7.429 10.122 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.483 -7.347 12.150 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.249 -6.872 12.150 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.484 -7.358 14.606 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.248 -6.882 14.607 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.366 -7.124 15.840 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.486 -4.861 9.357 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.326 -3.990 9.521 1.00 0.00 C ATOM 1559 C LEU A 98 -1.677 -2.543 9.193 1.00 0.00 C ATOM 1560 O LEU A 98 -1.199 -1.615 9.845 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.179 -4.463 8.627 1.00 0.00 C ATOM 1562 CG LEU A 98 1.125 -3.679 8.780 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.908 -4.175 9.985 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.964 -3.791 7.514 1.00 0.00 C ATOM 0 H LEU A 98 -2.404 -5.533 8.594 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.012 -4.039 10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.019 -5.513 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.501 -4.404 7.587 1.00 0.00 H new ATOM 0 HG LEU A 98 0.880 -2.629 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.833 -3.605 10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.310 -4.045 10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.144 -5.231 9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.889 -3.228 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.200 -4.838 7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.405 -3.387 6.670 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.513 -2.357 8.177 1.00 0.00 N ATOM 1577 CA LEU A 99 -2.926 -1.021 7.761 1.00 0.00 C ATOM 1578 C LEU A 99 -4.046 -0.487 8.651 1.00 0.00 C ATOM 1579 O LEU A 99 -4.226 0.724 8.777 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.386 -1.039 6.302 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.499 -1.847 5.354 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.279 -2.257 4.114 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.264 -1.047 4.968 1.00 0.00 C ATOM 0 H LEU A 99 -2.918 -3.114 7.626 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.066 -0.359 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.398 -1.442 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.437 -0.012 5.940 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.176 -2.750 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.632 -2.831 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.133 -2.868 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.632 -1.366 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.644 -1.637 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.568 -0.126 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.694 -0.803 5.864 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.798 -1.397 9.264 1.00 0.00 N ATOM 1596 CA ASN A 100 -5.901 -1.015 10.139 1.00 0.00 C ATOM 1597 C ASN A 100 -5.430 -0.083 11.252 1.00 0.00 C ATOM 1598 O ASN A 100 -6.207 0.717 11.774 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.552 -2.261 10.745 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.063 -2.156 10.799 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.634 -1.769 11.818 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -8.720 -2.501 9.697 1.00 0.00 N ATOM 0 H ASN A 100 -4.663 -2.404 9.171 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.635 -0.481 9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.272 -3.136 10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.165 -2.416 11.752 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.738 -2.450 9.674 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.206 -2.816 8.874 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.155 -0.190 11.615 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.590 0.645 12.670 1.00 0.00 C ATOM 1611 C LYS A 101 -2.501 1.564 12.124 1.00 0.00 C ATOM 1612 O LYS A 101 -2.343 2.695 12.583 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.021 -0.230 13.789 1.00 0.00 C ATOM 1614 CG LYS A 101 -3.996 -0.470 14.929 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.306 -1.097 16.131 1.00 0.00 C ATOM 1616 CE LYS A 101 -2.595 -0.050 16.973 1.00 0.00 C ATOM 1617 NZ LYS A 101 -1.138 0.008 16.675 1.00 0.00 N ATOM 0 H LYS A 101 -3.495 -0.845 11.195 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.391 1.266 13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.721 -1.191 13.371 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.121 0.241 14.185 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.453 0.475 15.223 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.801 -1.122 14.589 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.042 -1.619 16.743 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.587 -1.842 15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.042 0.927 16.790 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.741 -0.274 18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.618 0.270 17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.814 -0.923 16.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.963 0.718 15.936 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.751 1.072 11.144 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.675 1.852 10.542 1.00 0.00 C ATOM 1633 C LYS A 102 -1.216 3.116 9.880 1.00 0.00 C ATOM 1634 O LYS A 102 -0.901 4.229 10.298 1.00 0.00 O ATOM 1635 CB LYS A 102 0.081 1.008 9.514 1.00 0.00 C ATOM 1636 CG LYS A 102 1.052 0.019 10.137 1.00 0.00 C ATOM 1637 CD LYS A 102 2.258 0.724 10.739 1.00 0.00 C ATOM 1638 CE LYS A 102 3.033 -0.192 11.674 1.00 0.00 C ATOM 1639 NZ LYS A 102 3.317 0.461 12.982 1.00 0.00 N ATOM 0 H LYS A 102 -1.868 0.138 10.750 1.00 0.00 H new ATOM 0 HA LYS A 102 0.010 2.148 11.336 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.639 0.463 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.629 1.671 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.542 -0.555 10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.385 -0.691 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.914 1.069 9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.928 1.608 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.464 -1.106 11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.972 -0.483 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.846 -0.196 13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.882 1.320 12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.421 0.716 13.445 1.00 0.00 H new ATOM 1653 N PHE A 103 -2.028 2.935 8.843 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.608 4.063 8.123 1.00 0.00 C ATOM 1655 C PHE A 103 -3.974 4.434 8.691 1.00 0.00 C ATOM 1656 O PHE A 103 -4.249 5.605 8.956 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.734 3.732 6.634 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.431 3.347 5.995 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.934 2.060 6.122 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -0.700 4.274 5.267 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.265 1.703 5.536 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.500 3.923 4.679 1.00 0.00 C ATOM 1663 CZ PHE A 103 0.983 2.636 4.813 1.00 0.00 C ATOM 0 H PHE A 103 -2.299 2.020 8.483 1.00 0.00 H new ATOM 0 HA PHE A 103 -1.943 4.918 8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.446 2.916 6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.145 4.596 6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.491 1.327 6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.073 5.282 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.641 0.696 5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.060 4.654 4.115 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.920 2.359 4.353 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.828 3.432 8.876 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.166 3.657 9.412 1.00 0.00 C ATOM 1675 C TYR A 104 -6.099 4.329 10.782 1.00 0.00 C ATOM 1676 O TYR A 104 -5.535 3.777 11.727 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.928 2.334 9.513 1.00 0.00 C ATOM 1678 CG TYR A 104 -8.106 2.240 8.570 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -9.236 3.026 8.760 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -8.089 1.367 7.489 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -10.315 2.943 7.899 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -9.163 1.279 6.625 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.273 2.069 6.834 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.345 1.986 5.976 1.00 0.00 O ATOM 0 H TYR A 104 -4.617 2.457 8.663 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.697 4.321 8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.242 1.513 9.307 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.281 2.205 10.536 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -9.272 3.712 9.593 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.221 0.747 7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -11.187 3.560 8.060 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.133 0.595 5.790 1.00 0.00 H new ATOM 0 HH TYR A 104 -11.325 1.124 5.510 1.00 0.00 H new