USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot -96:sc= 0.399 USER MOD Set 2.2: A 67 CYS SG : rot 180:sc= 0.219 USER MOD Set 3.1: A 57 GLN : amide:sc= 0.894 X(o=-3.1,f=-3.1) USER MOD Set 3.2: A 62 CYS SG : rot 110:sc= -3.99! USER MOD Set 4.1: A 30 CYS SG : rot -154:sc= -1.09 USER MOD Set 4.2: A 79 CYS SG : rot 116:sc= 1.64 USER MOD Set 5.1: A 18 GLN : amide:sc= -0.68 K(o=-0.68,f=-1.2!) USER MOD Set 5.2: A 20 SER OG : rot 160:sc= 0 USER MOD Set 6.1: A 10 HIS : no HD1:sc= -5.79! C(o=-6.4!,f=-2.1!) USER MOD Set 6.2: A 33 SER OG : rot -140:sc= -0.625 USER MOD Single : A 17 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -1.85 (180deg=-2.55!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.00197 X(o=0.002,f=-0.27) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 110:sc= -0.303 USER MOD Single : A 81 CYS SG : rot -26:sc= -1.65 USER MOD Single : A 86 THR OG1 : rot 30:sc= -0.201 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 0.863 20.455 0.137 1.00 0.00 N ATOM 67 CA PRO A 8 0.678 19.304 1.025 1.00 0.00 C ATOM 68 C PRO A 8 1.991 18.591 1.332 1.00 0.00 C ATOM 69 O PRO A 8 3.062 19.042 0.927 1.00 0.00 O ATOM 70 CB PRO A 8 -0.254 18.388 0.229 1.00 0.00 C ATOM 71 CG PRO A 8 -0.016 18.751 -1.196 1.00 0.00 C ATOM 72 CD PRO A 8 0.297 20.222 -1.202 1.00 0.00 C ATOM 0 HA PRO A 8 0.281 19.599 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.028 17.338 0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.296 18.544 0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.810 18.175 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.894 18.536 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.007 20.479 -1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.597 20.823 -1.371 1.00 0.00 H new ATOM 80 N ALA A 9 1.900 17.476 2.049 1.00 0.00 N ATOM 81 CA ALA A 9 3.080 16.700 2.407 1.00 0.00 C ATOM 82 C ALA A 9 3.692 16.032 1.180 1.00 0.00 C ATOM 83 O ALA A 9 3.026 15.269 0.480 1.00 0.00 O ATOM 84 CB ALA A 9 2.727 15.657 3.457 1.00 0.00 C ATOM 0 H ALA A 9 1.021 17.090 2.393 1.00 0.00 H new ATOM 0 HA ALA A 9 3.821 17.383 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.618 15.085 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.344 16.153 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.966 14.985 3.061 1.00 0.00 H new ATOM 90 N HIS A 10 4.963 16.324 0.925 1.00 0.00 N ATOM 91 CA HIS A 10 5.664 15.752 -0.219 1.00 0.00 C ATOM 92 C HIS A 10 6.280 14.403 0.141 1.00 0.00 C ATOM 93 O HIS A 10 7.174 14.322 0.983 1.00 0.00 O ATOM 94 CB HIS A 10 6.753 16.708 -0.708 1.00 0.00 C ATOM 95 CG HIS A 10 7.690 17.151 0.373 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.557 18.350 1.041 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.780 16.546 0.902 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.525 18.464 1.933 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.280 17.383 1.870 1.00 0.00 N ATOM 0 H HIS A 10 5.529 16.953 1.495 1.00 0.00 H new ATOM 0 HA HIS A 10 4.939 15.600 -1.019 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.326 16.220 -1.497 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.282 17.585 -1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.181 15.585 0.616 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.673 19.300 2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.101 17.199 2.446 1.00 0.00 H new ATOM 108 N PHE A 11 5.795 13.346 -0.502 1.00 0.00 N ATOM 109 CA PHE A 11 6.296 12.001 -0.249 1.00 0.00 C ATOM 110 C PHE A 11 7.822 11.979 -0.253 1.00 0.00 C ATOM 111 O PHE A 11 8.453 12.169 -1.293 1.00 0.00 O ATOM 112 CB PHE A 11 5.758 11.027 -1.299 1.00 0.00 C ATOM 113 CG PHE A 11 4.357 10.561 -1.022 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.119 9.539 -0.117 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.278 11.143 -1.668 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.831 9.108 0.141 1.00 0.00 C ATOM 117 CE2 PHE A 11 1.989 10.717 -1.415 1.00 0.00 C ATOM 118 CZ PHE A 11 1.764 9.697 -0.510 1.00 0.00 C ATOM 0 H PHE A 11 5.055 13.395 -1.202 1.00 0.00 H new ATOM 0 HA PHE A 11 5.948 11.691 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.786 11.508 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.417 10.160 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.950 9.074 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.447 11.939 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.659 8.312 0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.157 11.181 -1.924 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.757 9.361 -0.312 1.00 0.00 H new ATOM 128 N ILE A 12 8.407 11.746 0.917 1.00 0.00 N ATOM 129 CA ILE A 12 9.858 11.699 1.048 1.00 0.00 C ATOM 130 C ILE A 12 10.380 10.276 0.877 1.00 0.00 C ATOM 131 O ILE A 12 11.498 10.066 0.410 1.00 0.00 O ATOM 132 CB ILE A 12 10.318 12.241 2.415 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.629 11.478 3.548 1.00 0.00 C ATOM 134 CG2 ILE A 12 10.027 13.731 2.518 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.154 11.833 4.922 1.00 0.00 C ATOM 0 H ILE A 12 7.899 11.587 1.787 1.00 0.00 H new ATOM 0 HA ILE A 12 10.266 12.331 0.259 1.00 0.00 H new ATOM 0 HB ILE A 12 11.394 12.094 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.559 11.681 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.756 10.408 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.357 14.100 3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.559 14.261 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.956 13.901 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.620 11.255 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.218 11.604 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.002 12.897 5.106 1.00 0.00 H new ATOM 147 N GLY A 13 9.559 9.301 1.257 1.00 0.00 N ATOM 148 CA GLY A 13 9.954 7.910 1.136 1.00 0.00 C ATOM 149 C GLY A 13 8.985 7.103 0.295 1.00 0.00 C ATOM 150 O GLY A 13 8.053 6.495 0.822 1.00 0.00 O ATOM 0 H GLY A 13 8.628 9.450 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.948 7.855 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.024 7.468 2.130 1.00 0.00 H new ATOM 154 N ARG A 14 9.203 7.098 -1.016 1.00 0.00 N ATOM 155 CA ARG A 14 8.339 6.362 -1.931 1.00 0.00 C ATOM 156 C ARG A 14 8.234 4.896 -1.519 1.00 0.00 C ATOM 157 O ARG A 14 9.177 4.326 -0.969 1.00 0.00 O ATOM 158 CB ARG A 14 8.872 6.464 -3.362 1.00 0.00 C ATOM 159 CG ARG A 14 8.646 7.824 -4.000 1.00 0.00 C ATOM 160 CD ARG A 14 8.519 7.716 -5.512 1.00 0.00 C ATOM 161 NE ARG A 14 9.813 7.510 -6.156 1.00 0.00 N ATOM 162 CZ ARG A 14 10.681 8.487 -6.390 1.00 0.00 C ATOM 163 NH1 ARG A 14 10.395 9.732 -6.034 1.00 0.00 N ATOM 164 NH2 ARG A 14 11.839 8.221 -6.981 1.00 0.00 N ATOM 0 H ARG A 14 9.970 7.595 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 14 7.344 6.806 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.940 6.246 -3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.393 5.700 -3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.742 8.274 -3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.474 8.487 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.854 6.889 -5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.060 8.624 -5.903 1.00 0.00 H new ATOM 0 HE ARG A 14 10.064 6.564 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.506 9.941 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.064 10.481 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.063 7.265 -7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.505 8.973 -7.160 1.00 0.00 H new ATOM 178 N LEU A 15 7.082 4.293 -1.789 1.00 0.00 N ATOM 179 CA LEU A 15 6.852 2.894 -1.446 1.00 0.00 C ATOM 180 C LEU A 15 7.997 2.016 -1.944 1.00 0.00 C ATOM 181 O LEU A 15 8.939 2.504 -2.568 1.00 0.00 O ATOM 182 CB LEU A 15 5.529 2.412 -2.043 1.00 0.00 C ATOM 183 CG LEU A 15 4.260 2.974 -1.402 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.135 3.052 -2.423 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.843 2.125 -0.210 1.00 0.00 C ATOM 0 H LEU A 15 6.292 4.751 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 15 6.803 2.816 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.519 2.664 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.497 1.325 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 15 4.472 3.983 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.240 3.454 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.434 3.703 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.924 2.055 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.938 2.540 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.650 1.104 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.642 2.122 0.532 1.00 0.00 H new ATOM 197 N ARG A 16 7.906 0.720 -1.665 1.00 0.00 N ATOM 198 CA ARG A 16 8.933 -0.225 -2.086 1.00 0.00 C ATOM 199 C ARG A 16 8.310 -1.548 -2.521 1.00 0.00 C ATOM 200 O ARG A 16 7.692 -2.249 -1.719 1.00 0.00 O ATOM 201 CB ARG A 16 9.929 -0.468 -0.950 1.00 0.00 C ATOM 202 CG ARG A 16 9.312 -1.135 0.269 1.00 0.00 C ATOM 203 CD ARG A 16 10.155 -0.909 1.514 1.00 0.00 C ATOM 204 NE ARG A 16 11.485 -1.498 1.389 1.00 0.00 N ATOM 205 CZ ARG A 16 12.276 -1.755 2.425 1.00 0.00 C ATOM 206 NH1 ARG A 16 11.872 -1.475 3.656 1.00 0.00 N ATOM 207 NH2 ARG A 16 13.473 -2.293 2.231 1.00 0.00 N ATOM 0 H ARG A 16 7.132 0.301 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 16 9.460 0.206 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.744 -1.089 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.365 0.485 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.308 -0.742 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.209 -2.205 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.248 0.161 1.699 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.648 -1.339 2.378 1.00 0.00 H new ATOM 0 HE ARG A 16 11.826 -1.725 0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.952 -1.061 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.481 -1.673 4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.787 -2.510 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 16 14.079 -2.490 3.028 1.00 0.00 H new ATOM 221 N HIS A 17 8.475 -1.883 -3.797 1.00 0.00 N ATOM 222 CA HIS A 17 7.928 -3.122 -4.339 1.00 0.00 C ATOM 223 C HIS A 17 8.051 -4.258 -3.327 1.00 0.00 C ATOM 224 O HIS A 17 9.155 -4.688 -2.994 1.00 0.00 O ATOM 225 CB HIS A 17 8.647 -3.498 -5.635 1.00 0.00 C ATOM 226 CG HIS A 17 10.074 -3.045 -5.681 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.802 -2.971 -6.850 1.00 0.00 N ATOM 228 CD2 HIS A 17 10.906 -2.638 -4.694 1.00 0.00 C ATOM 229 CE1 HIS A 17 12.022 -2.541 -6.579 1.00 0.00 C ATOM 230 NE2 HIS A 17 12.111 -2.331 -5.278 1.00 0.00 N ATOM 0 H HIS A 17 8.983 -1.314 -4.474 1.00 0.00 H new ATOM 0 HA HIS A 17 6.871 -2.961 -4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.614 -4.580 -5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.109 -3.064 -6.478 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.667 -2.568 -3.643 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.812 -2.387 -7.299 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.940 -1.995 -4.787 1.00 0.00 H new ATOM 239 N GLN A 18 6.910 -4.739 -2.844 1.00 0.00 N ATOM 240 CA GLN A 18 6.891 -5.824 -1.870 1.00 0.00 C ATOM 241 C GLN A 18 6.200 -7.057 -2.442 1.00 0.00 C ATOM 242 O GLN A 18 5.273 -6.945 -3.244 1.00 0.00 O ATOM 243 CB GLN A 18 6.182 -5.376 -0.590 1.00 0.00 C ATOM 244 CG GLN A 18 4.683 -5.629 -0.604 1.00 0.00 C ATOM 245 CD GLN A 18 4.032 -5.348 0.736 1.00 0.00 C ATOM 246 OE1 GLN A 18 3.239 -6.148 1.234 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.363 -4.206 1.327 1.00 0.00 N ATOM 0 H GLN A 18 5.988 -4.395 -3.111 1.00 0.00 H new ATOM 0 HA GLN A 18 7.923 -6.085 -1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.622 -5.897 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.361 -4.311 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.220 -5.004 -1.367 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.496 -6.665 -0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.025 -3.572 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.956 -3.962 2.230 1.00 0.00 H new ATOM 256 N GLU A 19 6.658 -8.234 -2.025 1.00 0.00 N ATOM 257 CA GLU A 19 6.084 -9.488 -2.498 1.00 0.00 C ATOM 258 C GLU A 19 5.375 -10.223 -1.365 1.00 0.00 C ATOM 259 O GLU A 19 5.945 -10.433 -0.294 1.00 0.00 O ATOM 260 CB GLU A 19 7.174 -10.380 -3.097 1.00 0.00 C ATOM 261 CG GLU A 19 6.732 -11.816 -3.317 1.00 0.00 C ATOM 262 CD GLU A 19 6.996 -12.700 -2.114 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.124 -13.224 -1.998 1.00 0.00 O ATOM 264 OE2 GLU A 19 6.075 -12.866 -1.287 1.00 0.00 O ATOM 0 H GLU A 19 7.424 -8.345 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 19 5.351 -9.254 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.495 -9.958 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.041 -10.373 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.667 -11.833 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.253 -12.223 -4.184 1.00 0.00 H new ATOM 271 N SER A 20 4.128 -10.612 -1.609 1.00 0.00 N ATOM 272 CA SER A 20 3.338 -11.321 -0.608 1.00 0.00 C ATOM 273 C SER A 20 2.912 -12.692 -1.123 1.00 0.00 C ATOM 274 O SER A 20 3.186 -13.049 -2.269 1.00 0.00 O ATOM 275 CB SER A 20 2.105 -10.500 -0.226 1.00 0.00 C ATOM 276 OG SER A 20 2.471 -9.325 0.476 1.00 0.00 O ATOM 0 H SER A 20 3.642 -10.448 -2.491 1.00 0.00 H new ATOM 0 HA SER A 20 3.959 -11.462 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.550 -10.232 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.440 -11.104 0.391 1.00 0.00 H new ATOM 0 HG SER A 20 1.739 -8.675 0.429 1.00 0.00 H new ATOM 282 N ILE A 21 2.239 -13.455 -0.269 1.00 0.00 N ATOM 283 CA ILE A 21 1.773 -14.786 -0.637 1.00 0.00 C ATOM 284 C ILE A 21 0.250 -14.837 -0.700 1.00 0.00 C ATOM 285 O ILE A 21 -0.436 -14.226 0.119 1.00 0.00 O ATOM 286 CB ILE A 21 2.270 -15.852 0.357 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.648 -16.368 -0.063 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.274 -16.998 0.448 1.00 0.00 C ATOM 289 CD1 ILE A 21 3.589 -17.569 -0.981 1.00 0.00 C ATOM 0 H ILE A 21 2.004 -13.174 0.683 1.00 0.00 H new ATOM 0 HA ILE A 21 2.183 -15.002 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 21 2.358 -15.395 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.191 -15.565 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.216 -16.630 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.640 -17.743 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.311 -16.617 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.156 -17.456 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.601 -17.881 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.074 -18.387 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.049 -17.306 -1.890 1.00 0.00 H new ATOM 301 N GLU A 22 -0.272 -15.573 -1.677 1.00 0.00 N ATOM 302 CA GLU A 22 -1.714 -15.705 -1.845 1.00 0.00 C ATOM 303 C GLU A 22 -2.386 -16.063 -0.523 1.00 0.00 C ATOM 304 O GLU A 22 -1.882 -16.888 0.239 1.00 0.00 O ATOM 305 CB GLU A 22 -2.032 -16.770 -2.897 1.00 0.00 C ATOM 306 CG GLU A 22 -3.489 -17.202 -2.905 1.00 0.00 C ATOM 307 CD GLU A 22 -4.384 -16.221 -3.636 1.00 0.00 C ATOM 308 OE1 GLU A 22 -4.156 -15.997 -4.843 1.00 0.00 O ATOM 309 OE2 GLU A 22 -5.312 -15.677 -3.001 1.00 0.00 O ATOM 0 H GLU A 22 0.282 -16.086 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.104 -14.744 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.771 -16.385 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.404 -17.643 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.571 -18.182 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.838 -17.310 -1.878 1.00 0.00 H new ATOM 316 N GLY A 23 -3.528 -15.436 -0.257 1.00 0.00 N ATOM 317 CA GLY A 23 -4.251 -15.701 0.973 1.00 0.00 C ATOM 318 C GLY A 23 -3.701 -14.918 2.149 1.00 0.00 C ATOM 319 O GLY A 23 -4.422 -14.631 3.104 1.00 0.00 O ATOM 0 H GLY A 23 -3.965 -14.749 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.303 -15.451 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.204 -16.767 1.196 1.00 0.00 H new ATOM 323 N ALA A 24 -2.420 -14.572 2.080 1.00 0.00 N ATOM 324 CA ALA A 24 -1.774 -13.816 3.146 1.00 0.00 C ATOM 325 C ALA A 24 -2.311 -12.391 3.212 1.00 0.00 C ATOM 326 O ALA A 24 -3.001 -11.933 2.301 1.00 0.00 O ATOM 327 CB ALA A 24 -0.265 -13.806 2.947 1.00 0.00 C ATOM 0 H ALA A 24 -1.809 -14.803 1.297 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.001 -14.305 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.204 -13.238 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.110 -14.829 2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.027 -13.344 1.989 1.00 0.00 H new ATOM 333 N THR A 25 -1.990 -11.692 4.296 1.00 0.00 N ATOM 334 CA THR A 25 -2.441 -10.318 4.482 1.00 0.00 C ATOM 335 C THR A 25 -1.326 -9.327 4.174 1.00 0.00 C ATOM 336 O THR A 25 -0.446 -9.091 5.001 1.00 0.00 O ATOM 337 CB THR A 25 -2.942 -10.081 5.919 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.749 -11.184 6.346 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.747 -8.793 6.006 1.00 0.00 C ATOM 0 H THR A 25 -1.419 -12.055 5.059 1.00 0.00 H new ATOM 0 HA THR A 25 -3.266 -10.159 3.787 1.00 0.00 H new ATOM 0 HB THR A 25 -2.074 -9.993 6.572 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.695 -10.972 6.202 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.090 -8.647 7.030 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.121 -7.952 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.608 -8.856 5.340 1.00 0.00 H new ATOM 347 N ALA A 26 -1.369 -8.747 2.979 1.00 0.00 N ATOM 348 CA ALA A 26 -0.362 -7.778 2.563 1.00 0.00 C ATOM 349 C ALA A 26 -0.410 -6.528 3.436 1.00 0.00 C ATOM 350 O ALA A 26 -1.462 -6.167 3.964 1.00 0.00 O ATOM 351 CB ALA A 26 -0.557 -7.410 1.100 1.00 0.00 C ATOM 0 H ALA A 26 -2.090 -8.931 2.282 1.00 0.00 H new ATOM 0 HA ALA A 26 0.620 -8.236 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.202 -6.686 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.465 -8.305 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.547 -6.975 0.963 1.00 0.00 H new ATOM 357 N THR A 27 0.736 -5.871 3.583 1.00 0.00 N ATOM 358 CA THR A 27 0.825 -4.663 4.393 1.00 0.00 C ATOM 359 C THR A 27 1.924 -3.738 3.882 1.00 0.00 C ATOM 360 O THR A 27 3.112 -4.006 4.067 1.00 0.00 O ATOM 361 CB THR A 27 1.098 -4.997 5.872 1.00 0.00 C ATOM 362 OG1 THR A 27 0.102 -5.901 6.362 1.00 0.00 O ATOM 363 CG2 THR A 27 1.105 -3.734 6.720 1.00 0.00 C ATOM 0 H THR A 27 1.615 -6.155 3.152 1.00 0.00 H new ATOM 0 HA THR A 27 -0.138 -4.158 4.314 1.00 0.00 H new ATOM 0 HB THR A 27 2.079 -5.467 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.284 -6.109 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.300 -3.995 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.884 -3.060 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.136 -3.240 6.645 1.00 0.00 H new ATOM 371 N LEU A 28 1.521 -2.648 3.239 1.00 0.00 N ATOM 372 CA LEU A 28 2.472 -1.681 2.701 1.00 0.00 C ATOM 373 C LEU A 28 2.771 -0.586 3.720 1.00 0.00 C ATOM 374 O LEU A 28 2.103 -0.483 4.749 1.00 0.00 O ATOM 375 CB LEU A 28 1.925 -1.060 1.414 1.00 0.00 C ATOM 376 CG LEU A 28 2.163 -1.857 0.131 1.00 0.00 C ATOM 377 CD1 LEU A 28 1.040 -1.611 -0.866 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.509 -1.496 -0.480 1.00 0.00 C ATOM 0 H LEU A 28 0.542 -2.411 3.077 1.00 0.00 H new ATOM 0 HA LEU A 28 3.400 -2.207 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.852 -0.913 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.371 -0.073 1.293 1.00 0.00 H new ATOM 0 HG LEU A 28 2.173 -2.918 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.226 -2.186 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.091 -1.920 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.998 -0.550 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.661 -2.073 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.528 -0.432 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.304 -1.724 0.230 1.00 0.00 H new ATOM 390 N ARG A 29 3.778 0.230 3.425 1.00 0.00 N ATOM 391 CA ARG A 29 4.165 1.318 4.315 1.00 0.00 C ATOM 392 C ARG A 29 4.985 2.366 3.569 1.00 0.00 C ATOM 393 O ARG A 29 5.847 2.030 2.756 1.00 0.00 O ATOM 394 CB ARG A 29 4.967 0.775 5.499 1.00 0.00 C ATOM 395 CG ARG A 29 5.030 1.729 6.681 1.00 0.00 C ATOM 396 CD ARG A 29 5.385 1.000 7.967 1.00 0.00 C ATOM 397 NE ARG A 29 6.830 0.863 8.137 1.00 0.00 N ATOM 398 CZ ARG A 29 7.392 0.021 8.998 1.00 0.00 C ATOM 399 NH1 ARG A 29 6.635 -0.754 9.762 1.00 0.00 N ATOM 400 NH2 ARG A 29 8.713 -0.046 9.094 1.00 0.00 N ATOM 0 H ARG A 29 4.340 0.158 2.577 1.00 0.00 H new ATOM 0 HA ARG A 29 3.256 1.791 4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.524 -0.166 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.981 0.552 5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.770 2.505 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.068 2.229 6.798 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.970 1.541 8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.925 0.012 7.963 1.00 0.00 H new ATOM 0 HE ARG A 29 7.440 1.445 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.619 -0.705 9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.069 -1.399 10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.298 0.549 8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.144 -0.692 9.755 1.00 0.00 H new ATOM 414 N CYS A 30 4.709 3.635 3.849 1.00 0.00 N ATOM 415 CA CYS A 30 5.421 4.732 3.203 1.00 0.00 C ATOM 416 C CYS A 30 5.681 5.866 4.189 1.00 0.00 C ATOM 417 O CYS A 30 5.386 5.748 5.378 1.00 0.00 O ATOM 418 CB CYS A 30 4.620 5.252 2.008 1.00 0.00 C ATOM 419 SG CYS A 30 2.939 5.777 2.418 1.00 0.00 S ATOM 0 H CYS A 30 3.998 3.930 4.518 1.00 0.00 H new ATOM 0 HA CYS A 30 6.381 4.354 2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.154 6.093 1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.570 4.470 1.250 1.00 0.00 H new ATOM 0 HG CYS A 30 2.184 5.675 1.365 1.00 0.00 H new ATOM 425 N GLU A 31 6.237 6.964 3.687 1.00 0.00 N ATOM 426 CA GLU A 31 6.540 8.119 4.525 1.00 0.00 C ATOM 427 C GLU A 31 6.041 9.407 3.877 1.00 0.00 C ATOM 428 O GLU A 31 5.722 9.434 2.687 1.00 0.00 O ATOM 429 CB GLU A 31 8.046 8.213 4.778 1.00 0.00 C ATOM 430 CG GLU A 31 8.402 8.903 6.084 1.00 0.00 C ATOM 431 CD GLU A 31 9.876 8.792 6.420 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.657 8.388 5.532 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.249 9.107 7.569 1.00 0.00 O ATOM 0 H GLU A 31 6.487 7.078 2.705 1.00 0.00 H new ATOM 0 HA GLU A 31 6.026 7.989 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.469 7.208 4.781 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.511 8.753 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.126 9.956 6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.815 8.467 6.893 1.00 0.00 H new ATOM 440 N LEU A 32 5.975 10.473 4.667 1.00 0.00 N ATOM 441 CA LEU A 32 5.514 11.765 4.172 1.00 0.00 C ATOM 442 C LEU A 32 6.266 12.907 4.848 1.00 0.00 C ATOM 443 O LEU A 32 6.810 12.744 5.941 1.00 0.00 O ATOM 444 CB LEU A 32 4.011 11.918 4.410 1.00 0.00 C ATOM 445 CG LEU A 32 3.100 11.079 3.513 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.650 11.215 3.948 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.262 11.489 2.056 1.00 0.00 C ATOM 0 H LEU A 32 6.235 10.468 5.653 1.00 0.00 H new ATOM 0 HA LEU A 32 5.712 11.807 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.800 11.662 5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.748 12.968 4.280 1.00 0.00 H new ATOM 0 HG LEU A 32 3.390 10.033 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.017 10.611 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.545 10.872 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.347 12.260 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.606 10.882 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.999 12.541 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.297 11.339 1.749 1.00 0.00 H new ATOM 459 N SER A 33 6.292 14.063 4.192 1.00 0.00 N ATOM 460 CA SER A 33 6.978 15.232 4.729 1.00 0.00 C ATOM 461 C SER A 33 6.363 15.661 6.057 1.00 0.00 C ATOM 462 O SER A 33 6.994 16.359 6.851 1.00 0.00 O ATOM 463 CB SER A 33 6.920 16.388 3.729 1.00 0.00 C ATOM 464 OG SER A 33 7.272 17.614 4.346 1.00 0.00 O ATOM 0 H SER A 33 5.846 14.215 3.287 1.00 0.00 H new ATOM 0 HA SER A 33 8.020 14.963 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.596 16.188 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.916 16.462 3.312 1.00 0.00 H new ATOM 0 HG SER A 33 6.688 18.327 4.013 1.00 0.00 H new ATOM 470 N LYS A 34 5.125 15.239 6.292 1.00 0.00 N ATOM 471 CA LYS A 34 4.421 15.577 7.523 1.00 0.00 C ATOM 472 C LYS A 34 3.075 14.864 7.594 1.00 0.00 C ATOM 473 O LYS A 34 2.394 14.701 6.582 1.00 0.00 O ATOM 474 CB LYS A 34 4.214 17.091 7.617 1.00 0.00 C ATOM 475 CG LYS A 34 3.434 17.671 6.450 1.00 0.00 C ATOM 476 CD LYS A 34 2.839 19.026 6.796 1.00 0.00 C ATOM 477 CE LYS A 34 2.703 19.906 5.563 1.00 0.00 C ATOM 478 NZ LYS A 34 2.608 21.349 5.920 1.00 0.00 N ATOM 0 H LYS A 34 4.588 14.662 5.645 1.00 0.00 H new ATOM 0 HA LYS A 34 5.032 15.247 8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.689 17.321 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.187 17.580 7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.091 17.771 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.637 16.984 6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.860 18.888 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.470 19.524 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.560 19.749 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.816 19.611 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.516 21.916 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.775 21.503 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.466 21.637 6.433 1.00 0.00 H new ATOM 492 N ALA A 35 2.697 14.442 8.797 1.00 0.00 N ATOM 493 CA ALA A 35 1.430 13.750 9.000 1.00 0.00 C ATOM 494 C ALA A 35 0.331 14.348 8.128 1.00 0.00 C ATOM 495 O ALA A 35 -0.080 15.490 8.328 1.00 0.00 O ATOM 496 CB ALA A 35 1.030 13.801 10.466 1.00 0.00 C ATOM 0 H ALA A 35 3.250 14.567 9.645 1.00 0.00 H new ATOM 0 HA ALA A 35 1.563 12.708 8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.082 13.280 10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.799 13.319 11.070 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.922 14.840 10.778 1.00 0.00 H new ATOM 502 N ALA A 36 -0.139 13.569 7.159 1.00 0.00 N ATOM 503 CA ALA A 36 -1.191 14.021 6.258 1.00 0.00 C ATOM 504 C ALA A 36 -1.981 12.843 5.699 1.00 0.00 C ATOM 505 O ALA A 36 -1.473 11.728 5.573 1.00 0.00 O ATOM 506 CB ALA A 36 -0.597 14.846 5.125 1.00 0.00 C ATOM 0 H ALA A 36 0.193 12.622 6.978 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.878 14.647 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.394 15.177 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.084 15.715 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.113 14.237 4.565 1.00 0.00 H new ATOM 512 N PRO A 37 -3.254 13.091 5.357 1.00 0.00 N ATOM 513 CA PRO A 37 -4.140 12.061 4.806 1.00 0.00 C ATOM 514 C PRO A 37 -3.739 11.645 3.395 1.00 0.00 C ATOM 515 O PRO A 37 -3.349 12.479 2.578 1.00 0.00 O ATOM 516 CB PRO A 37 -5.510 12.744 4.793 1.00 0.00 C ATOM 517 CG PRO A 37 -5.208 14.200 4.720 1.00 0.00 C ATOM 518 CD PRO A 37 -3.925 14.395 5.480 1.00 0.00 C ATOM 0 HA PRO A 37 -4.111 11.142 5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.105 12.420 3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.081 12.503 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.102 14.525 3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.014 14.788 5.158 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.324 15.198 5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.111 14.655 6.522 1.00 0.00 H new ATOM 526 N VAL A 38 -3.837 10.349 3.115 1.00 0.00 N ATOM 527 CA VAL A 38 -3.486 9.822 1.802 1.00 0.00 C ATOM 528 C VAL A 38 -4.583 8.910 1.264 1.00 0.00 C ATOM 529 O VAL A 38 -5.497 8.527 1.993 1.00 0.00 O ATOM 530 CB VAL A 38 -2.159 9.040 1.847 1.00 0.00 C ATOM 531 CG1 VAL A 38 -1.016 9.952 2.265 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.275 7.851 2.788 1.00 0.00 C ATOM 0 H VAL A 38 -4.157 9.645 3.780 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.372 10.679 1.138 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.944 8.664 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.087 9.382 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.921 10.768 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.219 10.360 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.329 7.309 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.513 8.203 3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.066 7.187 2.439 1.00 0.00 H new ATOM 542 N GLU A 39 -4.484 8.566 -0.016 1.00 0.00 N ATOM 543 CA GLU A 39 -5.469 7.698 -0.651 1.00 0.00 C ATOM 544 C GLU A 39 -4.786 6.638 -1.511 1.00 0.00 C ATOM 545 O GLU A 39 -4.294 6.930 -2.601 1.00 0.00 O ATOM 546 CB GLU A 39 -6.431 8.523 -1.508 1.00 0.00 C ATOM 547 CG GLU A 39 -7.627 7.734 -2.012 1.00 0.00 C ATOM 548 CD GLU A 39 -8.734 7.629 -0.980 1.00 0.00 C ATOM 549 OE1 GLU A 39 -8.789 8.494 -0.081 1.00 0.00 O ATOM 550 OE2 GLU A 39 -9.544 6.684 -1.071 1.00 0.00 O ATOM 0 H GLU A 39 -3.733 8.875 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.033 7.196 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.787 9.372 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.888 8.928 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.018 8.209 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.303 6.732 -2.295 1.00 0.00 H new ATOM 557 N TRP A 40 -4.760 5.407 -1.012 1.00 0.00 N ATOM 558 CA TRP A 40 -4.137 4.303 -1.733 1.00 0.00 C ATOM 559 C TRP A 40 -4.960 3.920 -2.958 1.00 0.00 C ATOM 560 O TRP A 40 -6.189 3.985 -2.936 1.00 0.00 O ATOM 561 CB TRP A 40 -3.975 3.092 -0.813 1.00 0.00 C ATOM 562 CG TRP A 40 -3.039 3.337 0.331 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.253 4.152 1.406 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.740 2.763 0.513 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.165 4.119 2.245 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.224 3.274 1.721 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.963 1.866 -0.225 1.00 0.00 C ATOM 568 CZ2 TRP A 40 0.033 2.918 2.203 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.284 1.514 0.255 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.772 2.038 1.460 1.00 0.00 C ATOM 0 H TRP A 40 -5.163 5.149 -0.111 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.152 4.630 -2.067 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.952 2.810 -0.420 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.610 2.247 -1.397 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.146 4.736 1.572 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.073 4.640 3.117 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.331 1.455 -1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.411 3.322 3.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.893 0.823 -0.308 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.750 1.741 1.809 1.00 0.00 H new ATOM 581 N ARG A 41 -4.276 3.521 -4.025 1.00 0.00 N ATOM 582 CA ARG A 41 -4.945 3.129 -5.259 1.00 0.00 C ATOM 583 C ARG A 41 -4.360 1.829 -5.805 1.00 0.00 C ATOM 584 O ARG A 41 -3.151 1.717 -6.010 1.00 0.00 O ATOM 585 CB ARG A 41 -4.819 4.236 -6.307 1.00 0.00 C ATOM 586 CG ARG A 41 -5.698 5.444 -6.025 1.00 0.00 C ATOM 587 CD ARG A 41 -6.092 6.158 -7.308 1.00 0.00 C ATOM 588 NE ARG A 41 -7.066 7.219 -7.067 1.00 0.00 N ATOM 589 CZ ARG A 41 -7.838 7.738 -8.015 1.00 0.00 C ATOM 590 NH1 ARG A 41 -7.750 7.295 -9.262 1.00 0.00 N ATOM 591 NH2 ARG A 41 -8.700 8.701 -7.717 1.00 0.00 N ATOM 0 H ARG A 41 -3.258 3.461 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.000 2.968 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.779 4.558 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.077 3.830 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.595 5.126 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.168 6.136 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.203 6.582 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.508 5.437 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.159 7.582 -6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.088 6.554 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.344 7.695 -9.988 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.771 9.044 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.292 9.099 -8.446 1.00 0.00 H new ATOM 605 N LYS A 42 -5.226 0.848 -6.037 1.00 0.00 N ATOM 606 CA LYS A 42 -4.798 -0.444 -6.559 1.00 0.00 C ATOM 607 C LYS A 42 -4.947 -0.494 -8.076 1.00 0.00 C ATOM 608 O LYS A 42 -5.916 -1.045 -8.597 1.00 0.00 O ATOM 609 CB LYS A 42 -5.611 -1.571 -5.919 1.00 0.00 C ATOM 610 CG LYS A 42 -5.297 -2.945 -6.485 1.00 0.00 C ATOM 611 CD LYS A 42 -6.224 -4.007 -5.918 1.00 0.00 C ATOM 612 CE LYS A 42 -5.954 -5.370 -6.535 1.00 0.00 C ATOM 613 NZ LYS A 42 -6.943 -6.389 -6.085 1.00 0.00 N ATOM 0 H LYS A 42 -6.230 0.924 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.745 -0.577 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.424 -1.578 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.673 -1.365 -6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.390 -2.922 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.263 -3.205 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.095 -4.064 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.260 -3.722 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.985 -5.289 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.949 -5.697 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.986 -7.161 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.653 -6.770 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.881 -5.948 -5.998 1.00 0.00 H new ATOM 627 N GLY A 43 -3.979 0.084 -8.781 1.00 0.00 N ATOM 628 CA GLY A 43 -4.021 0.093 -10.232 1.00 0.00 C ATOM 629 C GLY A 43 -5.310 0.682 -10.771 1.00 0.00 C ATOM 630 O GLY A 43 -6.343 0.013 -10.796 1.00 0.00 O ATOM 0 H GLY A 43 -3.166 0.546 -8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.176 0.666 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.908 -0.926 -10.602 1.00 0.00 H new ATOM 634 N ARG A 44 -5.249 1.938 -11.201 1.00 0.00 N ATOM 635 CA ARG A 44 -6.421 2.618 -11.739 1.00 0.00 C ATOM 636 C ARG A 44 -7.641 2.382 -10.854 1.00 0.00 C ATOM 637 O ARG A 44 -8.770 2.323 -11.340 1.00 0.00 O ATOM 638 CB ARG A 44 -6.709 2.135 -13.162 1.00 0.00 C ATOM 639 CG ARG A 44 -7.210 0.701 -13.229 1.00 0.00 C ATOM 640 CD ARG A 44 -7.874 0.405 -14.564 1.00 0.00 C ATOM 641 NE ARG A 44 -8.822 -0.702 -14.470 1.00 0.00 N ATOM 642 CZ ARG A 44 -10.022 -0.597 -13.912 1.00 0.00 C ATOM 643 NH1 ARG A 44 -10.420 0.560 -13.400 1.00 0.00 N ATOM 644 NH2 ARG A 44 -10.828 -1.650 -13.864 1.00 0.00 N ATOM 0 H ARG A 44 -4.401 2.505 -11.187 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.211 3.687 -11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.451 2.792 -13.616 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.800 2.221 -13.757 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.376 0.016 -13.076 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.920 0.524 -12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.392 1.297 -14.917 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.110 0.166 -15.304 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.547 -1.606 -14.854 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.804 1.372 -13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.343 0.638 -12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.526 -2.542 -14.256 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.750 -1.568 -13.435 1.00 0.00 H new ATOM 658 N GLU A 45 -7.405 2.246 -9.553 1.00 0.00 N ATOM 659 CA GLU A 45 -8.485 2.015 -8.600 1.00 0.00 C ATOM 660 C GLU A 45 -8.314 2.888 -7.361 1.00 0.00 C ATOM 661 O GLU A 45 -7.264 3.498 -7.158 1.00 0.00 O ATOM 662 CB GLU A 45 -8.531 0.540 -8.196 1.00 0.00 C ATOM 663 CG GLU A 45 -9.937 0.019 -7.950 1.00 0.00 C ATOM 664 CD GLU A 45 -10.545 -0.624 -9.182 1.00 0.00 C ATOM 665 OE1 GLU A 45 -10.235 -1.804 -9.448 1.00 0.00 O ATOM 666 OE2 GLU A 45 -11.329 0.053 -9.879 1.00 0.00 O ATOM 0 H GLU A 45 -6.476 2.292 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.425 2.282 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.063 -0.057 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.938 0.401 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.914 -0.709 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.573 0.841 -7.623 1.00 0.00 H new ATOM 673 N SER A 46 -9.354 2.943 -6.535 1.00 0.00 N ATOM 674 CA SER A 46 -9.321 3.745 -5.318 1.00 0.00 C ATOM 675 C SER A 46 -9.592 2.880 -4.090 1.00 0.00 C ATOM 676 O SER A 46 -10.590 2.162 -4.030 1.00 0.00 O ATOM 677 CB SER A 46 -10.351 4.874 -5.398 1.00 0.00 C ATOM 678 OG SER A 46 -10.654 5.380 -4.109 1.00 0.00 O ATOM 0 H SER A 46 -10.229 2.442 -6.686 1.00 0.00 H new ATOM 0 HA SER A 46 -8.325 4.177 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.967 5.677 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.262 4.507 -5.871 1.00 0.00 H new ATOM 0 HG SER A 46 -11.313 6.101 -4.187 1.00 0.00 H new ATOM 684 N LEU A 47 -8.695 2.955 -3.113 1.00 0.00 N ATOM 685 CA LEU A 47 -8.836 2.180 -1.885 1.00 0.00 C ATOM 686 C LEU A 47 -9.336 3.056 -0.742 1.00 0.00 C ATOM 687 O LEU A 47 -9.114 4.267 -0.732 1.00 0.00 O ATOM 688 CB LEU A 47 -7.498 1.541 -1.506 1.00 0.00 C ATOM 689 CG LEU A 47 -7.109 0.285 -2.286 1.00 0.00 C ATOM 690 CD1 LEU A 47 -7.029 0.584 -3.775 1.00 0.00 C ATOM 691 CD2 LEU A 47 -5.785 -0.268 -1.779 1.00 0.00 C ATOM 0 H LEU A 47 -7.863 3.544 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.570 1.394 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.712 2.285 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.525 1.292 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.879 -0.470 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.751 -0.322 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.999 0.933 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.280 1.356 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.523 -1.162 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.005 0.483 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.877 -0.522 -0.723 1.00 0.00 H new ATOM 703 N ARG A 48 -10.010 2.436 0.221 1.00 0.00 N ATOM 704 CA ARG A 48 -10.541 3.160 1.370 1.00 0.00 C ATOM 705 C ARG A 48 -10.587 2.263 2.604 1.00 0.00 C ATOM 706 O ARG A 48 -10.605 1.037 2.492 1.00 0.00 O ATOM 707 CB ARG A 48 -11.942 3.693 1.062 1.00 0.00 C ATOM 708 CG ARG A 48 -12.012 4.518 -0.212 1.00 0.00 C ATOM 709 CD ARG A 48 -13.449 4.725 -0.664 1.00 0.00 C ATOM 710 NE ARG A 48 -13.547 5.689 -1.757 1.00 0.00 N ATOM 711 CZ ARG A 48 -13.446 7.002 -1.589 1.00 0.00 C ATOM 712 NH1 ARG A 48 -13.246 7.507 -0.379 1.00 0.00 N ATOM 713 NH2 ARG A 48 -13.546 7.815 -2.634 1.00 0.00 N ATOM 0 H ARG A 48 -10.201 1.434 0.229 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.877 4.000 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.631 2.853 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.282 4.303 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.539 5.486 -0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.450 4.019 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.869 3.771 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.048 5.071 0.179 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.701 5.334 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.169 6.886 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.169 8.516 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.700 7.431 -3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.468 8.824 -2.505 1.00 0.00 H new ATOM 727 N ASP A 49 -10.605 2.882 3.779 1.00 0.00 N ATOM 728 CA ASP A 49 -10.649 2.140 5.034 1.00 0.00 C ATOM 729 C ASP A 49 -12.003 1.461 5.216 1.00 0.00 C ATOM 730 O ASP A 49 -13.038 2.123 5.277 1.00 0.00 O ATOM 731 CB ASP A 49 -10.370 3.074 6.213 1.00 0.00 C ATOM 732 CG ASP A 49 -11.637 3.679 6.784 1.00 0.00 C ATOM 733 OD1 ASP A 49 -12.334 2.982 7.550 1.00 0.00 O ATOM 734 OD2 ASP A 49 -11.932 4.850 6.465 1.00 0.00 O ATOM 0 H ASP A 49 -10.590 3.896 3.889 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.878 1.370 5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.850 2.521 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.703 3.873 5.890 1.00 0.00 H new ATOM 739 N GLY A 50 -11.987 0.134 5.302 1.00 0.00 N ATOM 740 CA GLY A 50 -13.219 -0.613 5.475 1.00 0.00 C ATOM 741 C GLY A 50 -13.032 -1.848 6.333 1.00 0.00 C ATOM 742 O GLY A 50 -12.236 -1.846 7.271 1.00 0.00 O ATOM 0 H GLY A 50 -11.143 -0.437 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.970 0.032 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.602 -0.908 4.498 1.00 0.00 H new ATOM 746 N ASP A 51 -13.769 -2.906 6.012 1.00 0.00 N ATOM 747 CA ASP A 51 -13.682 -4.154 6.761 1.00 0.00 C ATOM 748 C ASP A 51 -12.238 -4.452 7.154 1.00 0.00 C ATOM 749 O ASP A 51 -11.857 -4.301 8.315 1.00 0.00 O ATOM 750 CB ASP A 51 -14.247 -5.310 5.934 1.00 0.00 C ATOM 751 CG ASP A 51 -14.271 -6.616 6.705 1.00 0.00 C ATOM 752 OD1 ASP A 51 -14.963 -6.678 7.742 1.00 0.00 O ATOM 753 OD2 ASP A 51 -13.598 -7.574 6.271 1.00 0.00 O ATOM 0 H ASP A 51 -14.433 -2.924 5.238 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.273 -4.045 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.259 -5.063 5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.648 -5.435 5.032 1.00 0.00 H new ATOM 758 N ARG A 52 -11.440 -4.876 6.180 1.00 0.00 N ATOM 759 CA ARG A 52 -10.039 -5.197 6.425 1.00 0.00 C ATOM 760 C ARG A 52 -9.134 -4.044 5.999 1.00 0.00 C ATOM 761 O ARG A 52 -8.293 -3.583 6.771 1.00 0.00 O ATOM 762 CB ARG A 52 -9.647 -6.471 5.675 1.00 0.00 C ATOM 763 CG ARG A 52 -9.997 -7.749 6.420 1.00 0.00 C ATOM 764 CD ARG A 52 -9.120 -7.936 7.648 1.00 0.00 C ATOM 765 NE ARG A 52 -9.810 -8.665 8.708 1.00 0.00 N ATOM 766 CZ ARG A 52 -9.390 -8.703 9.968 1.00 0.00 C ATOM 767 NH1 ARG A 52 -8.289 -8.056 10.322 1.00 0.00 N ATOM 768 NH2 ARG A 52 -10.073 -9.388 10.876 1.00 0.00 N ATOM 0 H ARG A 52 -11.740 -5.005 5.214 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.912 -5.360 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.144 -6.479 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.574 -6.454 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.044 -7.721 6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.879 -8.604 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.215 -8.474 7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.808 -6.961 8.022 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.661 -9.173 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.762 -7.527 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.968 -8.087 11.290 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.921 -9.886 10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.750 -9.416 11.843 1.00 0.00 H new ATOM 782 N HIS A 53 -9.313 -3.584 4.765 1.00 0.00 N ATOM 783 CA HIS A 53 -8.513 -2.485 4.235 1.00 0.00 C ATOM 784 C HIS A 53 -8.192 -1.471 5.329 1.00 0.00 C ATOM 785 O HIS A 53 -8.999 -0.590 5.629 1.00 0.00 O ATOM 786 CB HIS A 53 -9.251 -1.796 3.086 1.00 0.00 C ATOM 787 CG HIS A 53 -9.325 -2.625 1.841 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.296 -3.580 1.629 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.542 -2.635 0.737 1.00 0.00 C ATOM 790 CE1 HIS A 53 -10.106 -4.144 0.449 1.00 0.00 C ATOM 791 NE2 HIS A 53 -9.048 -3.588 -0.113 1.00 0.00 N ATOM 0 H HIS A 53 -10.005 -3.955 4.113 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.577 -2.898 3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.262 -1.550 3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.752 -0.854 2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.680 -2.010 0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.713 -4.926 0.018 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.668 -3.827 -1.029 1.00 0.00 H new ATOM 800 N SER A 54 -7.010 -1.602 5.923 1.00 0.00 N ATOM 801 CA SER A 54 -6.584 -0.700 6.986 1.00 0.00 C ATOM 802 C SER A 54 -5.590 0.331 6.460 1.00 0.00 C ATOM 803 O SER A 54 -4.556 -0.021 5.890 1.00 0.00 O ATOM 804 CB SER A 54 -5.955 -1.492 8.134 1.00 0.00 C ATOM 805 OG SER A 54 -6.157 -0.838 9.375 1.00 0.00 O ATOM 0 H SER A 54 -6.330 -2.325 5.686 1.00 0.00 H new ATOM 0 HA SER A 54 -7.464 -0.174 7.356 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.389 -2.491 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.887 -1.614 7.953 1.00 0.00 H new ATOM 0 HG SER A 54 -5.747 -1.365 10.093 1.00 0.00 H new ATOM 811 N LEU A 55 -5.911 1.605 6.653 1.00 0.00 N ATOM 812 CA LEU A 55 -5.047 2.689 6.198 1.00 0.00 C ATOM 813 C LEU A 55 -4.444 3.438 7.382 1.00 0.00 C ATOM 814 O LEU A 55 -4.286 4.658 7.342 1.00 0.00 O ATOM 815 CB LEU A 55 -5.834 3.659 5.315 1.00 0.00 C ATOM 816 CG LEU A 55 -6.539 3.043 4.105 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.522 2.468 3.131 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.521 1.970 4.549 1.00 0.00 C ATOM 0 H LEU A 55 -6.763 1.913 7.121 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.236 2.253 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.582 4.156 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.151 4.431 4.959 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.097 3.828 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.041 2.034 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.858 3.261 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.936 1.696 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.013 1.543 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.985 1.185 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.269 2.412 5.207 1.00 0.00 H new ATOM 830 N ARG A 56 -4.107 2.699 8.434 1.00 0.00 N ATOM 831 CA ARG A 56 -3.519 3.293 9.629 1.00 0.00 C ATOM 832 C ARG A 56 -2.330 4.177 9.268 1.00 0.00 C ATOM 833 O ARG A 56 -1.714 4.006 8.216 1.00 0.00 O ATOM 834 CB ARG A 56 -3.078 2.199 10.604 1.00 0.00 C ATOM 835 CG ARG A 56 -1.866 1.415 10.130 1.00 0.00 C ATOM 836 CD ARG A 56 -1.664 0.152 10.953 1.00 0.00 C ATOM 837 NE ARG A 56 -1.010 0.428 12.229 1.00 0.00 N ATOM 838 CZ ARG A 56 -1.662 0.808 13.322 1.00 0.00 C ATOM 839 NH1 ARG A 56 -2.979 0.956 13.294 1.00 0.00 N ATOM 840 NH2 ARG A 56 -0.996 1.041 14.446 1.00 0.00 N ATOM 0 H ARG A 56 -4.231 1.688 8.483 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.278 3.912 10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.852 2.653 11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.907 1.509 10.763 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.990 1.151 9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.977 2.041 10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.629 -0.320 11.135 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.064 -0.559 10.385 1.00 0.00 H new ATOM 0 HE ARG A 56 0.003 0.323 12.284 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.494 0.778 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.477 1.248 14.135 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.017 0.928 14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.498 1.333 15.285 1.00 0.00 H new ATOM 854 N GLN A 57 -2.013 5.123 10.147 1.00 0.00 N ATOM 855 CA GLN A 57 -0.898 6.034 9.919 1.00 0.00 C ATOM 856 C GLN A 57 -0.096 6.243 11.199 1.00 0.00 C ATOM 857 O GLN A 57 -0.446 5.717 12.256 1.00 0.00 O ATOM 858 CB GLN A 57 -1.409 7.379 9.399 1.00 0.00 C ATOM 859 CG GLN A 57 -2.151 7.278 8.076 1.00 0.00 C ATOM 860 CD GLN A 57 -2.582 8.630 7.544 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.770 8.952 7.526 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.617 9.430 7.106 1.00 0.00 N ATOM 0 H GLN A 57 -2.512 5.278 11.023 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.244 5.587 9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.071 7.819 10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.565 8.058 9.281 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.511 6.790 7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.029 6.645 8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.645 9.122 7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.848 10.352 6.736 1.00 0.00 H new ATOM 871 N ASP A 58 0.983 7.012 11.097 1.00 0.00 N ATOM 872 CA ASP A 58 1.835 7.290 12.247 1.00 0.00 C ATOM 873 C ASP A 58 2.810 8.423 11.939 1.00 0.00 C ATOM 874 O ASP A 58 3.789 8.234 11.218 1.00 0.00 O ATOM 875 CB ASP A 58 2.607 6.033 12.653 1.00 0.00 C ATOM 876 CG ASP A 58 3.003 6.045 14.116 1.00 0.00 C ATOM 877 OD1 ASP A 58 2.305 6.704 14.914 1.00 0.00 O ATOM 878 OD2 ASP A 58 4.012 5.396 14.463 1.00 0.00 O ATOM 0 H ASP A 58 1.288 7.454 10.230 1.00 0.00 H new ATOM 0 HA ASP A 58 1.197 7.598 13.075 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.995 5.154 12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.503 5.945 12.038 1.00 0.00 H new ATOM 883 N GLY A 59 2.533 9.601 12.490 1.00 0.00 N ATOM 884 CA GLY A 59 3.394 10.747 12.261 1.00 0.00 C ATOM 885 C GLY A 59 4.044 10.720 10.892 1.00 0.00 C ATOM 886 O GLY A 59 5.175 10.258 10.744 1.00 0.00 O ATOM 0 H GLY A 59 1.729 9.782 13.090 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.811 11.662 12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.169 10.774 13.027 1.00 0.00 H new ATOM 890 N ALA A 60 3.327 11.215 9.889 1.00 0.00 N ATOM 891 CA ALA A 60 3.842 11.246 8.525 1.00 0.00 C ATOM 892 C ALA A 60 4.165 9.841 8.028 1.00 0.00 C ATOM 893 O ALA A 60 5.247 9.593 7.497 1.00 0.00 O ATOM 894 CB ALA A 60 5.076 12.132 8.447 1.00 0.00 C ATOM 0 H ALA A 60 2.388 11.600 9.995 1.00 0.00 H new ATOM 0 HA ALA A 60 3.068 11.662 7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.450 12.146 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.816 13.146 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.848 11.740 9.110 1.00 0.00 H new ATOM 900 N VAL A 61 3.219 8.923 8.205 1.00 0.00 N ATOM 901 CA VAL A 61 3.404 7.542 7.774 1.00 0.00 C ATOM 902 C VAL A 61 2.064 6.868 7.502 1.00 0.00 C ATOM 903 O VAL A 61 1.105 7.041 8.256 1.00 0.00 O ATOM 904 CB VAL A 61 4.173 6.724 8.828 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.435 5.313 8.322 1.00 0.00 C ATOM 906 CG2 VAL A 61 5.475 7.418 9.195 1.00 0.00 C ATOM 0 H VAL A 61 2.317 9.111 8.644 1.00 0.00 H new ATOM 0 HA VAL A 61 3.986 7.572 6.853 1.00 0.00 H new ATOM 0 HB VAL A 61 3.560 6.654 9.727 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.979 4.750 9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.486 4.819 8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.028 5.358 7.408 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.005 6.826 9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.096 7.521 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.259 8.406 9.603 1.00 0.00 H new ATOM 916 N CYS A 62 2.004 6.100 6.420 1.00 0.00 N ATOM 917 CA CYS A 62 0.780 5.399 6.047 1.00 0.00 C ATOM 918 C CYS A 62 1.046 3.911 5.844 1.00 0.00 C ATOM 919 O CYS A 62 2.133 3.517 5.422 1.00 0.00 O ATOM 920 CB CYS A 62 0.191 6.003 4.771 1.00 0.00 C ATOM 921 SG CYS A 62 0.013 7.802 4.819 1.00 0.00 S ATOM 0 H CYS A 62 2.788 5.947 5.786 1.00 0.00 H new ATOM 0 HA CYS A 62 0.063 5.514 6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.827 5.734 3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.787 5.557 4.588 1.00 0.00 H new ATOM 0 HG CYS A 62 0.873 8.345 4.010 1.00 0.00 H new ATOM 927 N GLU A 63 0.047 3.090 6.150 1.00 0.00 N ATOM 928 CA GLU A 63 0.174 1.644 6.003 1.00 0.00 C ATOM 929 C GLU A 63 -1.130 1.031 5.502 1.00 0.00 C ATOM 930 O GLU A 63 -2.164 1.115 6.165 1.00 0.00 O ATOM 931 CB GLU A 63 0.571 1.007 7.337 1.00 0.00 C ATOM 932 CG GLU A 63 2.074 0.897 7.535 1.00 0.00 C ATOM 933 CD GLU A 63 2.461 -0.270 8.423 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.041 -1.407 8.124 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.182 -0.045 9.417 1.00 0.00 O ATOM 0 H GLU A 63 -0.859 3.401 6.501 1.00 0.00 H new ATOM 0 HA GLU A 63 0.954 1.446 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.148 1.595 8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.131 0.012 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.558 0.786 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.448 1.822 7.974 1.00 0.00 H new ATOM 942 N LEU A 64 -1.073 0.414 4.327 1.00 0.00 N ATOM 943 CA LEU A 64 -2.249 -0.214 3.735 1.00 0.00 C ATOM 944 C LEU A 64 -2.239 -1.721 3.973 1.00 0.00 C ATOM 945 O LEU A 64 -1.346 -2.426 3.504 1.00 0.00 O ATOM 946 CB LEU A 64 -2.306 0.077 2.235 1.00 0.00 C ATOM 947 CG LEU A 64 -3.290 -0.768 1.424 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.682 -0.695 2.030 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.314 -0.313 -0.028 1.00 0.00 C ATOM 0 H LEU A 64 -0.225 0.335 3.765 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.134 0.205 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.562 1.128 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.308 -0.065 1.820 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.957 -1.806 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.368 -1.302 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.654 -1.070 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.024 0.340 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.019 -0.925 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.621 0.732 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.318 -0.419 -0.459 1.00 0.00 H new ATOM 961 N GLN A 65 -3.239 -2.207 4.701 1.00 0.00 N ATOM 962 CA GLN A 65 -3.346 -3.630 4.999 1.00 0.00 C ATOM 963 C GLN A 65 -4.473 -4.271 4.196 1.00 0.00 C ATOM 964 O GLN A 65 -5.640 -3.905 4.345 1.00 0.00 O ATOM 965 CB GLN A 65 -3.584 -3.843 6.495 1.00 0.00 C ATOM 966 CG GLN A 65 -3.245 -5.247 6.971 1.00 0.00 C ATOM 967 CD GLN A 65 -3.746 -5.524 8.375 1.00 0.00 C ATOM 968 OE1 GLN A 65 -4.822 -6.091 8.562 1.00 0.00 O ATOM 969 NE2 GLN A 65 -2.964 -5.124 9.371 1.00 0.00 N ATOM 0 H GLN A 65 -3.987 -1.636 5.095 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.407 -4.106 4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.986 -3.124 7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.630 -3.634 6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.679 -5.974 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.164 -5.386 6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.080 -4.657 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.248 -5.283 10.338 1.00 0.00 H new ATOM 978 N ILE A 66 -4.117 -5.228 3.346 1.00 0.00 N ATOM 979 CA ILE A 66 -5.100 -5.920 2.521 1.00 0.00 C ATOM 980 C ILE A 66 -5.165 -7.403 2.870 1.00 0.00 C ATOM 981 O ILE A 66 -4.196 -8.139 2.678 1.00 0.00 O ATOM 982 CB ILE A 66 -4.781 -5.771 1.021 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.866 -4.302 0.603 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.731 -6.620 0.191 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.476 -4.060 -0.838 1.00 0.00 C ATOM 0 H ILE A 66 -3.156 -5.542 3.210 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.066 -5.458 2.727 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.764 -6.121 0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.884 -3.946 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.219 -3.710 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.493 -6.504 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.625 -7.667 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.757 -6.298 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.560 -2.997 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.447 -4.384 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.139 -4.624 -1.494 1.00 0.00 H new ATOM 997 N CYS A 67 -6.311 -7.834 3.383 1.00 0.00 N ATOM 998 CA CYS A 67 -6.504 -9.231 3.759 1.00 0.00 C ATOM 999 C CYS A 67 -7.040 -10.041 2.583 1.00 0.00 C ATOM 1000 O CYS A 67 -7.632 -9.491 1.655 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.463 -9.334 4.945 1.00 0.00 C ATOM 1002 SG CYS A 67 -7.154 -10.752 6.024 1.00 0.00 S ATOM 0 H CYS A 67 -7.121 -7.237 3.549 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.536 -9.641 4.048 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.393 -8.420 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.484 -9.393 4.569 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.014 -10.751 6.999 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.828 -11.353 2.629 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.295 -12.218 1.562 1.00 0.00 C ATOM 1010 C GLY A 68 -6.640 -11.902 0.231 1.00 0.00 C ATOM 1011 O GLY A 68 -7.322 -11.744 -0.783 1.00 0.00 O ATOM 0 H GLY A 68 -6.341 -11.832 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.093 -13.256 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.376 -12.118 1.464 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.315 -11.807 0.233 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.568 -11.506 -0.982 1.00 0.00 C ATOM 1017 C LEU A 69 -5.005 -12.411 -2.129 1.00 0.00 C ATOM 1018 O LEU A 69 -5.787 -13.342 -1.935 1.00 0.00 O ATOM 1019 CB LEU A 69 -3.067 -11.666 -0.735 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.343 -10.440 -0.177 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.902 -10.782 0.168 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.398 -9.290 -1.172 1.00 0.00 C ATOM 0 H LEU A 69 -4.736 -11.934 1.063 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.776 -10.473 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.920 -12.496 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.592 -11.946 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.848 -10.127 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.403 -9.897 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.885 -11.574 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.384 -11.120 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.878 -8.426 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.918 -9.591 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.438 -9.028 -1.368 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.494 -12.133 -3.324 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.829 -12.925 -4.501 1.00 0.00 C ATOM 1036 C ALA A 70 -3.891 -12.608 -5.661 1.00 0.00 C ATOM 1037 O ALA A 70 -3.697 -11.446 -6.016 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.275 -12.681 -4.908 1.00 0.00 C ATOM 0 H ALA A 70 -3.847 -11.365 -3.502 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.707 -13.978 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.511 -13.279 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.936 -12.964 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.415 -11.625 -5.139 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.310 -13.650 -6.247 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.392 -13.483 -7.368 1.00 0.00 C ATOM 1046 C VAL A 71 -2.871 -12.387 -8.312 1.00 0.00 C ATOM 1047 O VAL A 71 -2.067 -11.688 -8.927 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.229 -14.794 -8.161 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.401 -14.560 -9.415 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.599 -15.869 -7.288 1.00 0.00 C ATOM 0 H VAL A 71 -3.459 -14.619 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.427 -13.200 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.217 -15.139 -8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.297 -15.497 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.898 -13.824 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.414 -14.191 -9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.491 -16.788 -7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.618 -15.535 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.236 -16.055 -6.423 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.188 -12.241 -8.422 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.775 -11.228 -9.289 1.00 0.00 C ATOM 1062 C ALA A 72 -4.553 -9.828 -8.727 1.00 0.00 C ATOM 1063 O ALA A 72 -4.261 -8.890 -9.468 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.261 -11.493 -9.480 1.00 0.00 C ATOM 0 H ALA A 72 -4.868 -12.812 -7.921 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.280 -11.284 -10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.686 -10.728 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.400 -12.474 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.763 -11.467 -8.513 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.695 -9.695 -7.413 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.509 -8.409 -6.750 1.00 0.00 C ATOM 1072 C ASP A 73 -3.166 -7.792 -7.128 1.00 0.00 C ATOM 1073 O ASP A 73 -3.028 -6.570 -7.187 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.600 -8.575 -5.233 1.00 0.00 C ATOM 1075 CG ASP A 73 -5.945 -9.115 -4.788 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.715 -9.577 -5.656 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.227 -9.075 -3.573 1.00 0.00 O ATOM 0 H ASP A 73 -4.938 -10.462 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.302 -7.739 -7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.812 -9.249 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.422 -7.612 -4.754 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.179 -8.645 -7.382 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.848 -8.183 -7.754 1.00 0.00 C ATOM 1084 C ALA A 74 -0.913 -7.202 -8.920 1.00 0.00 C ATOM 1085 O ALA A 74 -1.683 -7.392 -9.861 1.00 0.00 O ATOM 1086 CB ALA A 74 0.041 -9.367 -8.107 1.00 0.00 C ATOM 0 H ALA A 74 -2.276 -9.659 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.419 -7.662 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.032 -9.008 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.122 -10.031 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.394 -9.912 -8.945 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.100 -6.153 -8.851 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.082 -5.157 -9.906 1.00 0.00 C ATOM 1094 C GLY A 75 0.787 -3.964 -9.563 1.00 0.00 C ATOM 1095 O GLY A 75 2.006 -4.007 -9.731 1.00 0.00 O ATOM 0 H GLY A 75 0.547 -5.975 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.281 -5.614 -10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.100 -4.818 -10.098 1.00 0.00 H new ATOM 1099 N GLU A 76 0.160 -2.895 -9.083 1.00 0.00 N ATOM 1100 CA GLU A 76 0.885 -1.684 -8.718 1.00 0.00 C ATOM 1101 C GLU A 76 0.025 -0.778 -7.841 1.00 0.00 C ATOM 1102 O GLU A 76 -0.980 -0.230 -8.293 1.00 0.00 O ATOM 1103 CB GLU A 76 1.324 -0.928 -9.974 1.00 0.00 C ATOM 1104 CG GLU A 76 2.006 0.398 -9.679 1.00 0.00 C ATOM 1105 CD GLU A 76 2.243 1.223 -10.929 1.00 0.00 C ATOM 1106 OE1 GLU A 76 1.388 1.179 -11.838 1.00 0.00 O ATOM 1107 OE2 GLU A 76 3.282 1.911 -10.999 1.00 0.00 O ATOM 0 H GLU A 76 -0.848 -2.843 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 76 1.769 -1.977 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.005 -1.557 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.452 -0.747 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.394 0.970 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.960 0.210 -9.186 1.00 0.00 H new ATOM 1114 N TYR A 77 0.428 -0.626 -6.584 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.306 0.210 -5.642 1.00 0.00 C ATOM 1116 C TYR A 77 0.355 1.577 -5.497 1.00 0.00 C ATOM 1117 O TYR A 77 1.577 1.680 -5.390 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.389 -0.476 -4.277 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.328 -1.661 -4.251 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -1.008 -2.840 -4.912 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.534 -1.602 -3.564 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.863 -3.925 -4.892 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.395 -2.683 -3.537 1.00 0.00 C ATOM 1124 CZ TYR A 77 -3.055 -3.842 -4.202 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.908 -4.921 -4.178 1.00 0.00 O ATOM 0 H TYR A 77 1.259 -1.071 -6.194 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.314 0.354 -6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.608 -0.806 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.715 0.251 -3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.075 -2.910 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.804 -0.696 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.600 -4.833 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.329 -2.620 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.919 -5.309 -3.278 1.00 0.00 H new ATOM 1135 N SER A 78 -0.463 2.625 -5.494 1.00 0.00 N ATOM 1136 CA SER A 78 0.041 3.987 -5.365 1.00 0.00 C ATOM 1137 C SER A 78 -0.568 4.679 -4.150 1.00 0.00 C ATOM 1138 O SER A 78 -1.726 4.444 -3.803 1.00 0.00 O ATOM 1139 CB SER A 78 -0.268 4.789 -6.631 1.00 0.00 C ATOM 1140 OG SER A 78 -0.327 3.946 -7.768 1.00 0.00 O ATOM 0 H SER A 78 -1.477 2.557 -5.579 1.00 0.00 H new ATOM 0 HA SER A 78 1.121 3.937 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.218 5.311 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.498 5.551 -6.779 1.00 0.00 H new ATOM 0 HG SER A 78 -0.527 4.483 -8.563 1.00 0.00 H new ATOM 1146 N CYS A 79 0.221 5.533 -3.506 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.239 6.259 -2.328 1.00 0.00 C ATOM 1148 C CYS A 79 -0.275 7.760 -2.595 1.00 0.00 C ATOM 1149 O CYS A 79 0.763 8.422 -2.629 1.00 0.00 O ATOM 1150 CB CYS A 79 0.670 5.964 -1.134 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.163 6.052 0.468 1.00 0.00 S ATOM 0 H CYS A 79 1.182 5.739 -3.780 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.250 5.924 -2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.098 4.969 -1.254 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.500 6.671 -1.139 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.152 4.879 1.028 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.478 8.293 -2.786 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.651 9.716 -3.051 1.00 0.00 C ATOM 1159 C VAL A 80 -1.755 10.508 -1.753 1.00 0.00 C ATOM 1160 O VAL A 80 -2.382 10.063 -0.790 1.00 0.00 O ATOM 1161 CB VAL A 80 -2.907 9.980 -3.902 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -2.906 11.408 -4.428 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -2.995 8.982 -5.047 1.00 0.00 C ATOM 0 H VAL A 80 -2.347 7.760 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.771 10.044 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.786 9.851 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.801 11.576 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.895 12.105 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.022 11.568 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.889 9.184 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.113 9.076 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.047 7.970 -4.645 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.137 11.684 -1.733 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.159 12.539 -0.551 1.00 0.00 C ATOM 1175 C CYS A 81 -1.577 13.960 -0.916 1.00 0.00 C ATOM 1176 O CYS A 81 -2.202 14.658 -0.120 1.00 0.00 O ATOM 1177 CB CYS A 81 0.216 12.556 0.118 1.00 0.00 C ATOM 1178 SG CYS A 81 0.253 13.414 1.709 1.00 0.00 S ATOM 0 H CYS A 81 -0.615 12.067 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.890 12.132 0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.550 11.529 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.930 13.031 -0.555 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.691 14.308 1.742 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.225 14.382 -2.127 1.00 0.00 N ATOM 1185 CA GLY A 82 -1.571 15.718 -2.576 1.00 0.00 C ATOM 1186 C GLY A 82 -1.187 15.961 -4.023 1.00 0.00 C ATOM 1187 O GLY A 82 -1.862 15.491 -4.937 1.00 0.00 O ATOM 0 H GLY A 82 -0.707 13.823 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.644 15.872 -2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.072 16.451 -1.943 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.100 16.699 -4.229 1.00 0.00 N ATOM 1192 CA GLU A 83 0.370 17.005 -5.575 1.00 0.00 C ATOM 1193 C GLU A 83 1.248 15.880 -6.113 1.00 0.00 C ATOM 1194 O GLU A 83 1.361 15.693 -7.324 1.00 0.00 O ATOM 1195 CB GLU A 83 1.149 18.322 -5.579 1.00 0.00 C ATOM 1196 CG GLU A 83 0.260 19.555 -5.591 1.00 0.00 C ATOM 1197 CD GLU A 83 -1.008 19.352 -6.398 1.00 0.00 C ATOM 1198 OE1 GLU A 83 -0.931 19.391 -7.644 1.00 0.00 O ATOM 1199 OE2 GLU A 83 -2.076 19.155 -5.783 1.00 0.00 O ATOM 0 H GLU A 83 0.471 17.095 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.501 17.104 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.792 18.357 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.801 18.346 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.004 19.818 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.817 20.396 -6.003 1.00 0.00 H new ATOM 1206 N GLU A 84 1.869 15.135 -5.204 1.00 0.00 N ATOM 1207 CA GLU A 84 2.739 14.029 -5.588 1.00 0.00 C ATOM 1208 C GLU A 84 2.085 12.687 -5.270 1.00 0.00 C ATOM 1209 O GLU A 84 1.001 12.635 -4.688 1.00 0.00 O ATOM 1210 CB GLU A 84 4.085 14.137 -4.869 1.00 0.00 C ATOM 1211 CG GLU A 84 4.742 15.500 -5.007 1.00 0.00 C ATOM 1212 CD GLU A 84 4.609 16.072 -6.405 1.00 0.00 C ATOM 1213 OE1 GLU A 84 5.307 15.582 -7.317 1.00 0.00 O ATOM 1214 OE2 GLU A 84 3.805 17.011 -6.587 1.00 0.00 O ATOM 0 H GLU A 84 1.786 15.277 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 84 2.905 14.087 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.941 13.918 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.759 13.377 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.293 16.190 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.798 15.418 -4.751 1.00 0.00 H new ATOM 1221 N ARG A 85 2.753 11.604 -5.655 1.00 0.00 N ATOM 1222 CA ARG A 85 2.237 10.262 -5.413 1.00 0.00 C ATOM 1223 C ARG A 85 3.305 9.210 -5.700 1.00 0.00 C ATOM 1224 O ARG A 85 4.045 9.311 -6.678 1.00 0.00 O ATOM 1225 CB ARG A 85 1.004 10.003 -6.280 1.00 0.00 C ATOM 1226 CG ARG A 85 0.420 8.610 -6.107 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.457 8.223 -7.287 1.00 0.00 C ATOM 1228 NE ARG A 85 0.310 8.102 -8.524 1.00 0.00 N ATOM 1229 CZ ARG A 85 0.477 9.099 -9.385 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -0.066 10.285 -9.146 1.00 0.00 N ATOM 1231 NH2 ARG A 85 1.189 8.911 -10.489 1.00 0.00 N ATOM 0 H ARG A 85 3.652 11.630 -6.136 1.00 0.00 H new ATOM 0 HA ARG A 85 1.955 10.191 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.239 10.741 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.269 10.149 -7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.228 7.886 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.166 8.571 -5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.953 7.276 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.239 8.971 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 85 0.741 7.203 -8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.614 10.434 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.064 11.049 -9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.608 8.000 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.317 9.677 -11.150 1.00 0.00 H new ATOM 1245 N THR A 86 3.379 8.200 -4.839 1.00 0.00 N ATOM 1246 CA THR A 86 4.355 7.130 -4.998 1.00 0.00 C ATOM 1247 C THR A 86 3.676 5.816 -5.365 1.00 0.00 C ATOM 1248 O THR A 86 2.598 5.501 -4.862 1.00 0.00 O ATOM 1249 CB THR A 86 5.181 6.927 -3.713 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.057 5.804 -3.866 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.270 6.707 -2.514 1.00 0.00 C ATOM 0 H THR A 86 2.774 8.101 -4.024 1.00 0.00 H new ATOM 0 HA THR A 86 5.022 7.429 -5.806 1.00 0.00 H new ATOM 0 HB THR A 86 5.772 7.827 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.306 5.709 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.875 6.566 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.625 7.576 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.657 5.821 -2.681 1.00 0.00 H new ATOM 1259 N SER A 87 4.315 5.050 -6.244 1.00 0.00 N ATOM 1260 CA SER A 87 3.771 3.770 -6.681 1.00 0.00 C ATOM 1261 C SER A 87 4.765 2.641 -6.427 1.00 0.00 C ATOM 1262 O SER A 87 5.975 2.827 -6.548 1.00 0.00 O ATOM 1263 CB SER A 87 3.413 3.824 -8.168 1.00 0.00 C ATOM 1264 OG SER A 87 3.036 5.135 -8.554 1.00 0.00 O ATOM 0 H SER A 87 5.210 5.294 -6.667 1.00 0.00 H new ATOM 0 HA SER A 87 2.868 3.572 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.266 3.497 -8.763 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.597 3.132 -8.374 1.00 0.00 H new ATOM 0 HG SER A 87 2.814 5.144 -9.508 1.00 0.00 H new ATOM 1270 N ALA A 88 4.244 1.471 -6.073 1.00 0.00 N ATOM 1271 CA ALA A 88 5.085 0.311 -5.803 1.00 0.00 C ATOM 1272 C ALA A 88 4.479 -0.956 -6.398 1.00 0.00 C ATOM 1273 O ALA A 88 3.297 -1.242 -6.205 1.00 0.00 O ATOM 1274 CB ALA A 88 5.292 0.147 -4.305 1.00 0.00 C ATOM 0 H ALA A 88 3.244 1.301 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 88 6.053 0.476 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.922 -0.723 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.776 1.038 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.327 0.008 -3.817 1.00 0.00 H new ATOM 1280 N THR A 89 5.297 -1.714 -7.122 1.00 0.00 N ATOM 1281 CA THR A 89 4.841 -2.949 -7.746 1.00 0.00 C ATOM 1282 C THR A 89 4.698 -4.065 -6.718 1.00 0.00 C ATOM 1283 O THR A 89 5.655 -4.409 -6.022 1.00 0.00 O ATOM 1284 CB THR A 89 5.808 -3.409 -8.854 1.00 0.00 C ATOM 1285 OG1 THR A 89 6.019 -2.348 -9.792 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.262 -4.631 -9.577 1.00 0.00 C ATOM 0 H THR A 89 6.279 -1.494 -7.290 1.00 0.00 H new ATOM 0 HA THR A 89 3.867 -2.738 -8.187 1.00 0.00 H new ATOM 0 HB THR A 89 6.757 -3.676 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.636 -2.648 -10.492 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.962 -4.937 -10.354 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.131 -5.446 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.301 -4.387 -10.030 1.00 0.00 H new ATOM 1294 N LEU A 90 3.498 -4.627 -6.625 1.00 0.00 N ATOM 1295 CA LEU A 90 3.229 -5.706 -5.680 1.00 0.00 C ATOM 1296 C LEU A 90 3.249 -7.061 -6.381 1.00 0.00 C ATOM 1297 O LEU A 90 2.596 -7.252 -7.407 1.00 0.00 O ATOM 1298 CB LEU A 90 1.876 -5.490 -5.001 1.00 0.00 C ATOM 1299 CG LEU A 90 1.369 -6.643 -4.134 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.196 -6.759 -2.863 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.103 -6.451 -3.799 1.00 0.00 C ATOM 0 H LEU A 90 2.696 -4.354 -7.192 1.00 0.00 H new ATOM 0 HA LEU A 90 4.014 -5.697 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.942 -4.597 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.133 -5.288 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 90 1.475 -7.570 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.821 -7.585 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.238 -6.944 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.123 -5.831 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.447 -7.281 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.233 -5.516 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.685 -6.419 -4.720 1.00 0.00 H new ATOM 1313 N THR A 91 4.002 -8.001 -5.818 1.00 0.00 N ATOM 1314 CA THR A 91 4.107 -9.339 -6.387 1.00 0.00 C ATOM 1315 C THR A 91 3.479 -10.379 -5.467 1.00 0.00 C ATOM 1316 O THR A 91 3.834 -10.479 -4.292 1.00 0.00 O ATOM 1317 CB THR A 91 5.575 -9.723 -6.652 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.178 -8.774 -7.538 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.669 -11.118 -7.253 1.00 0.00 C ATOM 0 H THR A 91 4.548 -7.860 -4.968 1.00 0.00 H new ATOM 0 HA THR A 91 3.567 -9.323 -7.334 1.00 0.00 H new ATOM 0 HB THR A 91 6.106 -9.718 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.111 -9.025 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.715 -11.368 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.236 -11.842 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.123 -11.145 -8.196 1.00 0.00 H new ATOM 1327 N VAL A 92 2.543 -11.153 -6.008 1.00 0.00 N ATOM 1328 CA VAL A 92 1.867 -12.188 -5.235 1.00 0.00 C ATOM 1329 C VAL A 92 2.316 -13.579 -5.667 1.00 0.00 C ATOM 1330 O VAL A 92 2.532 -13.834 -6.852 1.00 0.00 O ATOM 1331 CB VAL A 92 0.337 -12.087 -5.380 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.352 -13.131 -4.514 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.141 -10.687 -5.022 1.00 0.00 C ATOM 0 H VAL A 92 2.236 -11.083 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 92 2.137 -12.030 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 92 0.075 -12.281 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.432 -13.044 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.033 -14.127 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.085 -12.971 -3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.224 -10.634 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.132 -10.462 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.326 -9.962 -5.688 1.00 0.00 H new ATOM 1343 N LYS A 93 2.456 -14.477 -4.697 1.00 0.00 N ATOM 1344 CA LYS A 93 2.878 -15.845 -4.976 1.00 0.00 C ATOM 1345 C LYS A 93 1.767 -16.836 -4.644 1.00 0.00 C ATOM 1346 O LYS A 93 0.808 -16.498 -3.950 1.00 0.00 O ATOM 1347 CB LYS A 93 4.136 -16.185 -4.174 1.00 0.00 C ATOM 1348 CG LYS A 93 5.339 -15.332 -4.538 1.00 0.00 C ATOM 1349 CD LYS A 93 5.854 -15.658 -5.929 1.00 0.00 C ATOM 1350 CE LYS A 93 5.254 -14.734 -6.977 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.203 -14.472 -8.095 1.00 0.00 N ATOM 0 H LYS A 93 2.283 -14.282 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 93 3.101 -15.920 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.923 -16.064 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.384 -17.235 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.067 -14.278 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.133 -15.491 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.940 -15.571 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.613 -16.692 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.341 -15.178 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.973 -13.790 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.756 -13.838 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.064 -14.025 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.452 -15.370 -8.557 1.00 0.00 H new ATOM 1365 N ALA A 94 1.904 -18.060 -5.142 1.00 0.00 N ATOM 1366 CA ALA A 94 0.914 -19.100 -4.895 1.00 0.00 C ATOM 1367 C ALA A 94 1.297 -19.947 -3.687 1.00 0.00 C ATOM 1368 O ALA A 94 2.270 -20.701 -3.727 1.00 0.00 O ATOM 1369 CB ALA A 94 0.752 -19.978 -6.127 1.00 0.00 C ATOM 0 H ALA A 94 2.691 -18.356 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.038 -18.616 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.009 -20.751 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.424 -19.367 -6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.706 -20.446 -6.368 1.00 0.00 H new