USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 429 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 11 LYS NZ :NH3+ -169:sc= 0.107 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 80:sc= 0.102 USER MOD Set 2.1: A 36 ASN : amide:sc= -2.34! K(o=-3.3!,f=-4.2) USER MOD Set 2.2: A 39 THR OG1 : rot -170:sc= -0.94 USER MOD Single : A 7 SER OG : rot -34:sc= 0.21 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0011) USER MOD Single : A 21 SER OG : rot -98:sc= 0.57 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.12) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0122) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 70 GLN : amide:sc= -0.181 K(o=-0.18,f=-3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 6.743 4.396 -0.317 1.00 0.00 N ATOM 106 CA SER A 7 7.391 3.930 0.895 1.00 0.00 C ATOM 107 C SER A 7 7.765 2.455 0.785 1.00 0.00 C ATOM 108 O SER A 7 7.035 1.661 0.186 1.00 0.00 O ATOM 109 CB SER A 7 6.471 4.164 2.098 1.00 0.00 C ATOM 110 OG SER A 7 5.153 3.697 1.843 1.00 0.00 O ATOM 0 HA SER A 7 8.312 4.496 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.876 3.654 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.442 5.228 2.334 1.00 0.00 H new ATOM 0 HG SER A 7 4.938 3.826 0.896 1.00 0.00 H new ATOM 116 N GLU A 8 8.904 2.098 1.370 1.00 0.00 N ATOM 117 CA GLU A 8 9.388 0.725 1.334 1.00 0.00 C ATOM 118 C GLU A 8 8.372 -0.210 1.970 1.00 0.00 C ATOM 119 O GLU A 8 8.133 -1.308 1.476 1.00 0.00 O ATOM 120 CB GLU A 8 10.719 0.602 2.075 1.00 0.00 C ATOM 121 CG GLU A 8 11.821 1.490 1.524 1.00 0.00 C ATOM 122 CD GLU A 8 13.112 1.349 2.304 1.00 0.00 C ATOM 123 OE1 GLU A 8 13.097 1.589 3.530 1.00 0.00 O ATOM 124 OE2 GLU A 8 14.144 0.982 1.701 1.00 0.00 O ATOM 0 H GLU A 8 9.510 2.744 1.876 1.00 0.00 H new ATOM 0 HA GLU A 8 9.534 0.447 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.561 0.847 3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.050 -0.436 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.000 1.238 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.495 2.530 1.549 1.00 0.00 H new ATOM 131 N GLU A 9 7.765 0.254 3.054 1.00 0.00 N ATOM 132 CA GLU A 9 6.812 -0.528 3.817 1.00 0.00 C ATOM 133 C GLU A 9 5.658 -1.014 2.945 1.00 0.00 C ATOM 134 O GLU A 9 5.241 -2.169 3.041 1.00 0.00 O ATOM 135 CB GLU A 9 6.275 0.322 4.961 1.00 0.00 C ATOM 136 CG GLU A 9 7.360 1.020 5.763 1.00 0.00 C ATOM 137 CD GLU A 9 8.421 0.067 6.271 1.00 0.00 C ATOM 138 OE1 GLU A 9 8.202 -0.580 7.316 1.00 0.00 O ATOM 139 OE2 GLU A 9 9.484 -0.037 5.633 1.00 0.00 O ATOM 0 H GLU A 9 7.924 1.190 3.428 1.00 0.00 H new ATOM 0 HA GLU A 9 7.322 -1.408 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.595 1.072 4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.691 -0.311 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.831 1.782 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.905 1.534 6.610 1.00 0.00 H new ATOM 146 N PHE A 10 5.165 -0.129 2.083 1.00 0.00 N ATOM 147 CA PHE A 10 4.058 -0.456 1.193 1.00 0.00 C ATOM 148 C PHE A 10 4.501 -1.479 0.151 1.00 0.00 C ATOM 149 O PHE A 10 3.812 -2.465 -0.108 1.00 0.00 O ATOM 150 CB PHE A 10 3.551 0.817 0.502 1.00 0.00 C ATOM 151 CG PHE A 10 2.369 0.599 -0.398 1.00 0.00 C ATOM 152 CD1 PHE A 10 1.089 0.534 0.128 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.537 0.462 -1.766 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.003 0.342 -0.695 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.450 0.268 -2.595 1.00 0.00 C ATOM 156 CZ PHE A 10 0.178 0.205 -2.057 1.00 0.00 C ATOM 0 H PHE A 10 5.517 0.823 1.983 1.00 0.00 H new ATOM 0 HA PHE A 10 3.248 -0.888 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.283 1.549 1.264 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.364 1.248 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.944 0.635 1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.530 0.507 -2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.997 0.299 -0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.593 0.166 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.674 0.049 -2.702 1.00 0.00 H new ATOM 166 N LYS A 11 5.675 -1.241 -0.416 1.00 0.00 N ATOM 167 CA LYS A 11 6.226 -2.105 -1.449 1.00 0.00 C ATOM 168 C LYS A 11 6.561 -3.483 -0.882 1.00 0.00 C ATOM 169 O LYS A 11 6.363 -4.497 -1.541 1.00 0.00 O ATOM 170 CB LYS A 11 7.470 -1.447 -2.052 1.00 0.00 C ATOM 171 CG LYS A 11 7.191 -0.058 -2.613 1.00 0.00 C ATOM 172 CD LYS A 11 8.465 0.728 -2.873 1.00 0.00 C ATOM 173 CE LYS A 11 9.272 0.147 -4.015 1.00 0.00 C ATOM 174 NZ LYS A 11 10.521 0.917 -4.249 1.00 0.00 N ATOM 0 H LYS A 11 6.269 -0.448 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 11 5.481 -2.243 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.244 -1.376 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.863 -2.082 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.628 -0.151 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.563 0.494 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.211 1.764 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.074 0.739 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.520 -0.891 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.669 0.145 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.953 0.613 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.299 1.932 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.186 0.746 -3.468 1.00 0.00 H new ATOM 188 N ARG A 12 7.052 -3.506 0.354 1.00 0.00 N ATOM 189 CA ARG A 12 7.380 -4.756 1.036 1.00 0.00 C ATOM 190 C ARG A 12 6.127 -5.559 1.350 1.00 0.00 C ATOM 191 O ARG A 12 6.126 -6.786 1.258 1.00 0.00 O ATOM 192 CB ARG A 12 8.144 -4.475 2.331 1.00 0.00 C ATOM 193 CG ARG A 12 9.545 -3.938 2.111 1.00 0.00 C ATOM 194 CD ARG A 12 10.216 -3.596 3.427 1.00 0.00 C ATOM 195 NE ARG A 12 11.558 -3.057 3.234 1.00 0.00 N ATOM 196 CZ ARG A 12 12.237 -2.401 4.174 1.00 0.00 C ATOM 197 NH1 ARG A 12 11.695 -2.193 5.369 1.00 0.00 N ATOM 198 NH2 ARG A 12 13.457 -1.947 3.916 1.00 0.00 N ATOM 0 H ARG A 12 7.233 -2.668 0.907 1.00 0.00 H new ATOM 0 HA ARG A 12 8.008 -5.341 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.579 -3.758 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.205 -5.395 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.141 -4.679 1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.502 -3.050 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.608 -2.869 3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.270 -4.490 4.049 1.00 0.00 H new ATOM 0 HE ARG A 12 12.003 -3.190 2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.756 -2.536 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.218 -1.690 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.875 -2.100 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.977 -1.445 4.636 1.00 0.00 H new ATOM 212 N ASP A 13 5.057 -4.864 1.717 1.00 0.00 N ATOM 213 CA ASP A 13 3.797 -5.521 2.053 1.00 0.00 C ATOM 214 C ASP A 13 3.228 -6.216 0.821 1.00 0.00 C ATOM 215 O ASP A 13 2.683 -7.315 0.909 1.00 0.00 O ATOM 216 CB ASP A 13 2.793 -4.501 2.600 1.00 0.00 C ATOM 217 CG ASP A 13 1.606 -5.150 3.292 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.684 -5.379 4.522 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.580 -5.402 2.627 1.00 0.00 O ATOM 0 H ASP A 13 5.035 -3.847 1.790 1.00 0.00 H new ATOM 0 HA ASP A 13 3.984 -6.268 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.301 -3.841 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.433 -3.878 1.781 1.00 0.00 H new ATOM 224 N ALA A 14 3.397 -5.574 -0.331 1.00 0.00 N ATOM 225 CA ALA A 14 2.968 -6.141 -1.602 1.00 0.00 C ATOM 226 C ALA A 14 3.743 -7.418 -1.925 1.00 0.00 C ATOM 227 O ALA A 14 3.193 -8.362 -2.496 1.00 0.00 O ATOM 228 CB ALA A 14 3.139 -5.117 -2.713 1.00 0.00 C ATOM 0 H ALA A 14 3.831 -4.654 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 14 1.913 -6.403 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.816 -5.550 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.536 -4.236 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.188 -4.830 -2.785 1.00 0.00 H new ATOM 234 N VAL A 15 5.018 -7.449 -1.545 1.00 0.00 N ATOM 235 CA VAL A 15 5.844 -8.636 -1.746 1.00 0.00 C ATOM 236 C VAL A 15 5.333 -9.784 -0.875 1.00 0.00 C ATOM 237 O VAL A 15 5.345 -10.947 -1.285 1.00 0.00 O ATOM 238 CB VAL A 15 7.333 -8.368 -1.423 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.183 -9.593 -1.719 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.840 -7.169 -2.205 1.00 0.00 C ATOM 0 H VAL A 15 5.500 -6.669 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 15 5.772 -8.907 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 15 7.414 -8.148 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.225 -9.378 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.839 -10.430 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.095 -9.850 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.889 -6.995 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.739 -7.362 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.256 -6.288 -1.939 1.00 0.00 H new ATOM 250 N ALA A 16 4.855 -9.441 0.320 1.00 0.00 N ATOM 251 CA ALA A 16 4.297 -10.426 1.239 1.00 0.00 C ATOM 252 C ALA A 16 3.016 -11.025 0.669 1.00 0.00 C ATOM 253 O ALA A 16 2.730 -12.209 0.864 1.00 0.00 O ATOM 254 CB ALA A 16 4.037 -9.800 2.606 1.00 0.00 C ATOM 0 H ALA A 16 4.844 -8.484 0.673 1.00 0.00 H new ATOM 0 HA ALA A 16 5.024 -11.228 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.621 -10.551 3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.973 -9.424 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.331 -8.977 2.501 1.00 0.00 H new ATOM 260 N LEU A 17 2.249 -10.203 -0.043 1.00 0.00 N ATOM 261 CA LEU A 17 1.046 -10.666 -0.727 1.00 0.00 C ATOM 262 C LEU A 17 1.400 -11.696 -1.796 1.00 0.00 C ATOM 263 O LEU A 17 0.673 -12.668 -2.001 1.00 0.00 O ATOM 264 CB LEU A 17 0.296 -9.488 -1.364 1.00 0.00 C ATOM 265 CG LEU A 17 -0.989 -9.046 -0.651 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.917 -10.232 -0.430 1.00 0.00 C ATOM 267 CD2 LEU A 17 -0.667 -8.365 0.669 1.00 0.00 C ATOM 0 H LEU A 17 2.441 -9.208 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 17 0.397 -11.135 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.973 -8.635 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.045 -9.755 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.500 -8.326 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.822 -9.897 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.181 -10.671 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.413 -10.979 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.593 -8.060 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.128 -9.059 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.048 -7.487 0.484 1.00 0.00 H new ATOM 279 N TYR A 18 2.531 -11.484 -2.461 1.00 0.00 N ATOM 280 CA TYR A 18 3.020 -12.411 -3.477 1.00 0.00 C ATOM 281 C TYR A 18 3.351 -13.771 -2.867 1.00 0.00 C ATOM 282 O TYR A 18 3.078 -14.813 -3.464 1.00 0.00 O ATOM 283 CB TYR A 18 4.253 -11.828 -4.174 1.00 0.00 C ATOM 284 CG TYR A 18 4.957 -12.797 -5.101 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.472 -13.061 -6.377 1.00 0.00 C ATOM 286 CD2 TYR A 18 6.116 -13.445 -4.693 1.00 0.00 C ATOM 287 CE1 TYR A 18 5.125 -13.947 -7.217 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.770 -14.327 -5.526 1.00 0.00 C ATOM 289 CZ TYR A 18 6.275 -14.575 -6.785 1.00 0.00 C ATOM 290 OH TYR A 18 6.934 -15.461 -7.613 1.00 0.00 O ATOM 0 H TYR A 18 3.131 -10.672 -2.313 1.00 0.00 H new ATOM 0 HA TYR A 18 2.230 -12.555 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.953 -10.949 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.959 -11.489 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.573 -12.568 -6.718 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.511 -13.254 -3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.736 -14.145 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.669 -14.822 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 18 7.725 -15.812 -7.153 1.00 0.00 H new ATOM 300 N GLU A 19 3.938 -13.754 -1.679 1.00 0.00 N ATOM 301 CA GLU A 19 4.250 -14.987 -0.969 1.00 0.00 C ATOM 302 C GLU A 19 2.967 -15.717 -0.574 1.00 0.00 C ATOM 303 O GLU A 19 2.919 -16.944 -0.552 1.00 0.00 O ATOM 304 CB GLU A 19 5.087 -14.686 0.273 1.00 0.00 C ATOM 305 CG GLU A 19 6.486 -14.174 -0.035 1.00 0.00 C ATOM 306 CD GLU A 19 7.359 -15.224 -0.694 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.812 -16.153 0.009 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.614 -15.121 -1.912 1.00 0.00 O ATOM 0 H GLU A 19 4.208 -12.902 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 19 4.826 -15.631 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.565 -13.946 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.166 -15.592 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.415 -13.304 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.959 -13.841 0.889 1.00 0.00 H new ATOM 315 N ASN A 20 1.922 -14.952 -0.289 1.00 0.00 N ATOM 316 CA ASN A 20 0.631 -15.507 0.114 1.00 0.00 C ATOM 317 C ASN A 20 -0.298 -15.632 -1.091 1.00 0.00 C ATOM 318 O ASN A 20 -1.508 -15.414 -0.994 1.00 0.00 O ATOM 319 CB ASN A 20 -0.006 -14.619 1.189 1.00 0.00 C ATOM 320 CG ASN A 20 0.671 -14.761 2.540 1.00 0.00 C ATOM 321 OD1 ASN A 20 0.255 -15.568 3.372 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.717 -13.980 2.769 1.00 0.00 N ATOM 0 H ASN A 20 1.942 -13.933 -0.329 1.00 0.00 H new ATOM 0 HA ASN A 20 0.791 -16.503 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.042 -13.578 0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.061 -14.874 1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.209 -14.035 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.030 -13.324 2.053 1.00 0.00 H new ATOM 329 N SER A 21 0.277 -16.022 -2.216 1.00 0.00 N ATOM 330 CA SER A 21 -0.451 -16.115 -3.472 1.00 0.00 C ATOM 331 C SER A 21 -1.297 -17.384 -3.547 1.00 0.00 C ATOM 332 O SER A 21 -2.122 -17.536 -4.448 1.00 0.00 O ATOM 333 CB SER A 21 0.529 -16.070 -4.635 1.00 0.00 C ATOM 334 OG SER A 21 1.571 -17.014 -4.456 1.00 0.00 O ATOM 0 H SER A 21 1.261 -16.283 -2.285 1.00 0.00 H new ATOM 0 HA SER A 21 -1.131 -15.265 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.003 -16.276 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.951 -15.069 -4.721 1.00 0.00 H new ATOM 0 HG SER A 21 2.359 -16.565 -4.083 1.00 0.00 H new ATOM 340 N ASP A 22 -1.057 -18.304 -2.618 1.00 0.00 N ATOM 341 CA ASP A 22 -1.783 -19.581 -2.575 1.00 0.00 C ATOM 342 C ASP A 22 -3.281 -19.364 -2.740 1.00 0.00 C ATOM 343 O ASP A 22 -3.944 -20.059 -3.511 1.00 0.00 O ATOM 344 CB ASP A 22 -1.523 -20.314 -1.255 1.00 0.00 C ATOM 345 CG ASP A 22 -0.050 -20.515 -0.967 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.547 -21.480 -1.494 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.519 -19.706 -0.206 1.00 0.00 O ATOM 0 H ASP A 22 -0.363 -18.193 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.417 -20.190 -3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.973 -19.750 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.018 -21.285 -1.282 1.00 0.00 H new ATOM 352 N GLY A 23 -3.801 -18.382 -2.028 1.00 0.00 N ATOM 353 CA GLY A 23 -5.210 -18.067 -2.119 1.00 0.00 C ATOM 354 C GLY A 23 -5.485 -16.778 -2.876 1.00 0.00 C ATOM 355 O GLY A 23 -6.641 -16.437 -3.122 1.00 0.00 O ATOM 0 H GLY A 23 -3.271 -17.793 -1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.729 -18.889 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.624 -17.986 -1.114 1.00 0.00 H new ATOM 359 N ALA A 24 -4.430 -16.078 -3.273 1.00 0.00 N ATOM 360 CA ALA A 24 -4.572 -14.782 -3.919 1.00 0.00 C ATOM 361 C ALA A 24 -3.759 -14.736 -5.205 1.00 0.00 C ATOM 362 O ALA A 24 -2.535 -14.833 -5.179 1.00 0.00 O ATOM 363 CB ALA A 24 -4.146 -13.666 -2.973 1.00 0.00 C ATOM 0 H ALA A 24 -3.465 -16.388 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.622 -14.634 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.258 -12.703 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.771 -13.687 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.103 -13.808 -2.689 1.00 0.00 H new ATOM 369 N SER A 25 -4.453 -14.592 -6.323 1.00 0.00 N ATOM 370 CA SER A 25 -3.818 -14.579 -7.635 1.00 0.00 C ATOM 371 C SER A 25 -2.839 -13.415 -7.764 1.00 0.00 C ATOM 372 O SER A 25 -3.064 -12.344 -7.204 1.00 0.00 O ATOM 373 CB SER A 25 -4.890 -14.467 -8.717 1.00 0.00 C ATOM 374 OG SER A 25 -5.894 -15.449 -8.538 1.00 0.00 O ATOM 0 H SER A 25 -5.467 -14.481 -6.349 1.00 0.00 H new ATOM 0 HA SER A 25 -3.261 -15.508 -7.755 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.338 -13.474 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.434 -14.583 -9.700 1.00 0.00 H new ATOM 0 HG SER A 25 -6.571 -15.357 -9.241 1.00 0.00 H new ATOM 380 N LEU A 26 -1.764 -13.634 -8.520 1.00 0.00 N ATOM 381 CA LEU A 26 -0.735 -12.615 -8.729 1.00 0.00 C ATOM 382 C LEU A 26 -1.369 -11.359 -9.324 1.00 0.00 C ATOM 383 O LEU A 26 -1.041 -10.235 -8.936 1.00 0.00 O ATOM 384 CB LEU A 26 0.358 -13.162 -9.661 1.00 0.00 C ATOM 385 CG LEU A 26 1.782 -12.630 -9.423 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.783 -13.399 -10.273 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.876 -11.143 -9.731 1.00 0.00 C ATOM 0 H LEU A 26 -1.582 -14.515 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.279 -12.357 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.377 -14.248 -9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.076 -12.937 -10.689 1.00 0.00 H new ATOM 0 HG LEU A 26 2.019 -12.775 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.786 -13.011 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.750 -14.456 -10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.531 -13.281 -11.327 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.895 -10.798 -9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.612 -10.970 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.189 -10.594 -9.087 1.00 0.00 H new ATOM 399 N GLN A 27 -2.283 -11.563 -10.268 1.00 0.00 N ATOM 400 CA GLN A 27 -3.062 -10.469 -10.836 1.00 0.00 C ATOM 401 C GLN A 27 -3.819 -9.731 -9.739 1.00 0.00 C ATOM 402 O GLN A 27 -3.776 -8.505 -9.667 1.00 0.00 O ATOM 403 CB GLN A 27 -4.057 -10.998 -11.877 1.00 0.00 C ATOM 404 CG GLN A 27 -5.037 -9.944 -12.384 1.00 0.00 C ATOM 405 CD GLN A 27 -4.369 -8.869 -13.219 1.00 0.00 C ATOM 406 OE1 GLN A 27 -4.233 -9.007 -14.433 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.966 -7.786 -12.578 1.00 0.00 N ATOM 0 H GLN A 27 -2.503 -12.480 -10.657 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.372 -9.780 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.502 -11.402 -12.724 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.619 -11.824 -11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.810 -10.431 -12.979 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.535 -9.479 -11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.098 -7.712 -11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.523 -7.024 -13.092 1.00 0.00 H new ATOM 416 N GLN A 28 -4.486 -10.494 -8.879 1.00 0.00 N ATOM 417 CA GLN A 28 -5.330 -9.933 -7.830 1.00 0.00 C ATOM 418 C GLN A 28 -4.516 -9.092 -6.850 1.00 0.00 C ATOM 419 O GLN A 28 -5.018 -8.119 -6.299 1.00 0.00 O ATOM 420 CB GLN A 28 -6.058 -11.049 -7.079 1.00 0.00 C ATOM 421 CG GLN A 28 -7.082 -10.546 -6.072 1.00 0.00 C ATOM 422 CD GLN A 28 -8.193 -9.741 -6.719 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.090 -8.525 -6.868 1.00 0.00 O ATOM 424 NE2 GLN A 28 -9.270 -10.410 -7.091 1.00 0.00 N ATOM 0 H GLN A 28 -4.457 -11.514 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.064 -9.283 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.559 -11.693 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.323 -11.664 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.515 -11.396 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.580 -9.930 -5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.317 -11.419 -6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.054 -9.917 -7.519 1.00 0.00 H new ATOM 433 N ILE A 29 -3.262 -9.468 -6.644 1.00 0.00 N ATOM 434 CA ILE A 29 -2.377 -8.719 -5.757 1.00 0.00 C ATOM 435 C ILE A 29 -2.243 -7.273 -6.234 1.00 0.00 C ATOM 436 O ILE A 29 -2.521 -6.331 -5.492 1.00 0.00 O ATOM 437 CB ILE A 29 -0.968 -9.355 -5.681 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.053 -10.847 -5.330 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.109 -8.617 -4.666 1.00 0.00 C ATOM 440 CD1 ILE A 29 -1.777 -11.132 -4.029 1.00 0.00 C ATOM 0 H ILE A 29 -2.833 -10.286 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.824 -8.744 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.503 -9.267 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.560 -11.372 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.044 -11.254 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.879 -9.076 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.012 -7.573 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.578 -8.673 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.795 -12.207 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.258 -10.637 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.799 -10.757 -4.091 1.00 0.00 H new ATOM 452 N ALA A 30 -1.833 -7.107 -7.485 1.00 0.00 N ATOM 453 CA ALA A 30 -1.678 -5.782 -8.066 1.00 0.00 C ATOM 454 C ALA A 30 -3.037 -5.137 -8.314 1.00 0.00 C ATOM 455 O ALA A 30 -3.195 -3.926 -8.184 1.00 0.00 O ATOM 456 CB ALA A 30 -0.887 -5.867 -9.360 1.00 0.00 C ATOM 0 H ALA A 30 -1.602 -7.874 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.130 -5.158 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.777 -4.870 -9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.099 -6.285 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.414 -6.507 -10.067 1.00 0.00 H new ATOM 462 N ASN A 31 -4.014 -5.966 -8.653 1.00 0.00 N ATOM 463 CA ASN A 31 -5.362 -5.506 -8.973 1.00 0.00 C ATOM 464 C ASN A 31 -6.062 -4.950 -7.736 1.00 0.00 C ATOM 465 O ASN A 31 -6.890 -4.042 -7.829 1.00 0.00 O ATOM 466 CB ASN A 31 -6.169 -6.663 -9.569 1.00 0.00 C ATOM 467 CG ASN A 31 -7.542 -6.258 -10.068 1.00 0.00 C ATOM 468 OD1 ASN A 31 -7.766 -5.123 -10.489 1.00 0.00 O ATOM 469 ND2 ASN A 31 -8.465 -7.204 -10.050 1.00 0.00 N ATOM 0 H ASN A 31 -3.897 -6.977 -8.715 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.291 -4.700 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.606 -7.099 -10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.282 -7.442 -8.815 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.405 -7.006 -10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.237 -8.132 -9.693 1.00 0.00 H new ATOM 476 N ASP A 32 -5.717 -5.490 -6.575 1.00 0.00 N ATOM 477 CA ASP A 32 -6.290 -5.027 -5.317 1.00 0.00 C ATOM 478 C ASP A 32 -5.704 -3.675 -4.937 1.00 0.00 C ATOM 479 O ASP A 32 -6.422 -2.768 -4.518 1.00 0.00 O ATOM 480 CB ASP A 32 -6.024 -6.032 -4.192 1.00 0.00 C ATOM 481 CG ASP A 32 -6.798 -5.700 -2.933 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.034 -5.886 -2.927 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.171 -5.265 -1.941 1.00 0.00 O ATOM 0 H ASP A 32 -5.043 -6.249 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.367 -4.931 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.295 -7.032 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.958 -6.049 -3.967 1.00 0.00 H new ATOM 488 N LEU A 33 -4.393 -3.544 -5.103 1.00 0.00 N ATOM 489 CA LEU A 33 -3.688 -2.319 -4.746 1.00 0.00 C ATOM 490 C LEU A 33 -3.899 -1.229 -5.796 1.00 0.00 C ATOM 491 O LEU A 33 -3.657 -0.050 -5.534 1.00 0.00 O ATOM 492 CB LEU A 33 -2.190 -2.590 -4.562 1.00 0.00 C ATOM 493 CG LEU A 33 -1.772 -3.123 -3.183 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.427 -4.459 -2.875 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.260 -3.248 -3.105 1.00 0.00 C ATOM 0 H LEU A 33 -3.794 -4.276 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.101 -1.966 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.874 -3.308 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.646 -1.665 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.112 -2.408 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.107 -4.803 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.511 -4.343 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.134 -5.190 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.024 -3.627 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.088 -3.937 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.195 -2.270 -3.262 1.00 0.00 H new ATOM 507 N GLY A 34 -4.353 -1.629 -6.974 1.00 0.00 N ATOM 508 CA GLY A 34 -4.606 -0.675 -8.035 1.00 0.00 C ATOM 509 C GLY A 34 -3.331 -0.248 -8.730 1.00 0.00 C ATOM 510 O GLY A 34 -3.157 0.925 -9.068 1.00 0.00 O ATOM 0 H GLY A 34 -4.551 -2.600 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.286 -1.116 -8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.105 0.202 -7.623 1.00 0.00 H new ATOM 514 N ILE A 35 -2.432 -1.200 -8.935 1.00 0.00 N ATOM 515 CA ILE A 35 -1.154 -0.928 -9.566 1.00 0.00 C ATOM 516 C ILE A 35 -0.907 -1.900 -10.711 1.00 0.00 C ATOM 517 O ILE A 35 -1.634 -2.880 -10.875 1.00 0.00 O ATOM 518 CB ILE A 35 0.010 -1.036 -8.561 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.000 -2.406 -7.871 1.00 0.00 C ATOM 520 CG2 ILE A 35 -0.059 0.086 -7.534 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.159 -2.617 -6.920 1.00 0.00 C ATOM 0 H ILE A 35 -2.569 -2.175 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.196 0.092 -9.947 1.00 0.00 H new ATOM 0 HB ILE A 35 0.947 -0.936 -9.109 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.935 -2.519 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.019 -3.186 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.772 -0.009 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.003 1.048 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.001 0.023 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.085 -3.607 -6.470 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.098 -2.537 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.130 -1.859 -6.137 1.00 0.00 H new ATOM 533 N ASN A 36 0.119 -1.619 -11.502 1.00 0.00 N ATOM 534 CA ASN A 36 0.513 -2.491 -12.591 1.00 0.00 C ATOM 535 C ASN A 36 1.129 -3.774 -12.042 1.00 0.00 C ATOM 536 O ASN A 36 1.853 -3.745 -11.046 1.00 0.00 O ATOM 537 CB ASN A 36 1.516 -1.745 -13.469 1.00 0.00 C ATOM 538 CG ASN A 36 2.104 -2.585 -14.579 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.480 -3.515 -15.086 1.00 0.00 O ATOM 540 ND2 ASN A 36 3.324 -2.258 -14.956 1.00 0.00 N ATOM 0 H ASN A 36 0.697 -0.784 -11.405 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.359 -2.766 -13.184 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.025 -0.876 -13.906 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.326 -1.372 -12.842 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.787 -2.785 -15.696 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.805 -1.478 -14.507 1.00 0.00 H new ATOM 547 N ARG A 37 0.865 -4.891 -12.706 1.00 0.00 N ATOM 548 CA ARG A 37 1.359 -6.179 -12.245 1.00 0.00 C ATOM 549 C ARG A 37 2.866 -6.280 -12.447 1.00 0.00 C ATOM 550 O ARG A 37 3.571 -6.913 -11.661 1.00 0.00 O ATOM 551 CB ARG A 37 0.638 -7.322 -12.964 1.00 0.00 C ATOM 552 CG ARG A 37 1.025 -8.695 -12.442 1.00 0.00 C ATOM 553 CD ARG A 37 0.079 -9.781 -12.937 1.00 0.00 C ATOM 554 NE ARG A 37 0.097 -9.937 -14.392 1.00 0.00 N ATOM 555 CZ ARG A 37 -0.303 -11.041 -15.025 1.00 0.00 C ATOM 556 NH1 ARG A 37 -0.761 -12.081 -14.332 1.00 0.00 N ATOM 557 NH2 ARG A 37 -0.252 -11.097 -16.351 1.00 0.00 N ATOM 0 H ARG A 37 0.313 -4.930 -13.563 1.00 0.00 H new ATOM 0 HA ARG A 37 1.152 -6.263 -11.178 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.438 -7.189 -12.856 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.860 -7.270 -14.030 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.042 -8.929 -12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.024 -8.682 -11.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.349 -10.729 -12.472 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.935 -9.546 -12.615 1.00 0.00 H new ATOM 0 HE ARG A 37 0.435 -9.156 -14.955 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.807 -12.035 -13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.066 -12.924 -14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.092 -10.297 -16.882 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.557 -11.940 -16.838 1.00 0.00 H new ATOM 571 N VAL A 38 3.358 -5.636 -13.497 1.00 0.00 N ATOM 572 CA VAL A 38 4.790 -5.607 -13.761 1.00 0.00 C ATOM 573 C VAL A 38 5.489 -4.756 -12.708 1.00 0.00 C ATOM 574 O VAL A 38 6.547 -5.123 -12.197 1.00 0.00 O ATOM 575 CB VAL A 38 5.108 -5.048 -15.167 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.592 -5.178 -15.481 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.276 -5.754 -16.228 1.00 0.00 C ATOM 0 H VAL A 38 2.790 -5.129 -14.176 1.00 0.00 H new ATOM 0 HA VAL A 38 5.154 -6.634 -13.719 1.00 0.00 H new ATOM 0 HB VAL A 38 4.849 -3.989 -15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.790 -4.778 -16.475 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.170 -4.621 -14.744 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.880 -6.229 -15.449 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.515 -5.345 -17.210 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.499 -6.821 -16.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.217 -5.602 -16.020 1.00 0.00 H new ATOM 587 N THR A 39 4.875 -3.627 -12.367 1.00 0.00 N ATOM 588 CA THR A 39 5.404 -2.758 -11.327 1.00 0.00 C ATOM 589 C THR A 39 5.404 -3.481 -9.978 1.00 0.00 C ATOM 590 O THR A 39 6.313 -3.303 -9.165 1.00 0.00 O ATOM 591 CB THR A 39 4.581 -1.460 -11.232 1.00 0.00 C ATOM 592 OG1 THR A 39 4.458 -0.873 -12.536 1.00 0.00 O ATOM 593 CG2 THR A 39 5.231 -0.463 -10.282 1.00 0.00 C ATOM 0 H THR A 39 4.012 -3.295 -12.797 1.00 0.00 H new ATOM 0 HA THR A 39 6.430 -2.499 -11.588 1.00 0.00 H new ATOM 0 HB THR A 39 3.594 -1.709 -10.842 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.075 0.025 -12.456 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.627 0.443 -10.236 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.303 -0.902 -9.287 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.230 -0.215 -10.642 1.00 0.00 H new ATOM 601 N LEU A 40 4.386 -4.306 -9.759 1.00 0.00 N ATOM 602 CA LEU A 40 4.316 -5.143 -8.568 1.00 0.00 C ATOM 603 C LEU A 40 5.502 -6.102 -8.524 1.00 0.00 C ATOM 604 O LEU A 40 6.239 -6.154 -7.539 1.00 0.00 O ATOM 605 CB LEU A 40 3.010 -5.942 -8.557 1.00 0.00 C ATOM 606 CG LEU A 40 2.862 -6.929 -7.400 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.664 -6.190 -6.085 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.708 -7.882 -7.660 1.00 0.00 C ATOM 0 H LEU A 40 3.595 -4.413 -10.394 1.00 0.00 H new ATOM 0 HA LEU A 40 4.347 -4.496 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.175 -5.242 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.931 -6.492 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 40 3.780 -7.513 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.561 -6.911 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.525 -5.550 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.764 -5.578 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.616 -8.578 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.783 -7.314 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.895 -8.438 -8.578 1.00 0.00 H new ATOM 620 N LYS A 41 5.685 -6.842 -9.614 1.00 0.00 N ATOM 621 CA LYS A 41 6.740 -7.845 -9.711 1.00 0.00 C ATOM 622 C LYS A 41 8.114 -7.204 -9.560 1.00 0.00 C ATOM 623 O LYS A 41 9.032 -7.805 -9.009 1.00 0.00 O ATOM 624 CB LYS A 41 6.642 -8.556 -11.054 1.00 0.00 C ATOM 625 CG LYS A 41 7.299 -9.925 -11.073 1.00 0.00 C ATOM 626 CD LYS A 41 7.030 -10.639 -12.385 1.00 0.00 C ATOM 627 CE LYS A 41 7.397 -12.112 -12.302 1.00 0.00 C ATOM 628 NZ LYS A 41 7.024 -12.852 -13.535 1.00 0.00 N ATOM 0 H LYS A 41 5.108 -6.764 -10.452 1.00 0.00 H new ATOM 0 HA LYS A 41 6.611 -8.567 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.591 -8.664 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.103 -7.932 -11.819 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.374 -9.819 -10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.922 -10.525 -10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.976 -10.539 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.602 -10.165 -13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.469 -12.209 -12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.897 -12.562 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.292 -13.852 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.997 -12.783 -13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.521 -12.440 -14.351 1.00 0.00 H new ATOM 642 N ASN A 42 8.225 -5.979 -10.052 1.00 0.00 N ATOM 643 CA ASN A 42 9.449 -5.184 -9.928 1.00 0.00 C ATOM 644 C ASN A 42 9.885 -5.103 -8.476 1.00 0.00 C ATOM 645 O ASN A 42 10.999 -5.488 -8.115 1.00 0.00 O ATOM 646 CB ASN A 42 9.181 -3.768 -10.433 1.00 0.00 C ATOM 647 CG ASN A 42 10.438 -2.921 -10.531 1.00 0.00 C ATOM 648 OD1 ASN A 42 10.804 -2.224 -9.586 1.00 0.00 O ATOM 649 ND2 ASN A 42 11.100 -2.963 -11.678 1.00 0.00 N ATOM 0 H ASN A 42 7.472 -5.503 -10.549 1.00 0.00 H new ATOM 0 HA ASN A 42 10.235 -5.659 -10.515 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.709 -3.822 -11.414 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.472 -3.279 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.945 -2.405 -11.800 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.765 -3.554 -12.439 1.00 0.00 H new ATOM 656 N TRP A 43 8.980 -4.598 -7.655 1.00 0.00 N ATOM 657 CA TRP A 43 9.216 -4.475 -6.218 1.00 0.00 C ATOM 658 C TRP A 43 9.535 -5.836 -5.596 1.00 0.00 C ATOM 659 O TRP A 43 10.444 -5.956 -4.771 1.00 0.00 O ATOM 660 CB TRP A 43 7.996 -3.869 -5.522 1.00 0.00 C ATOM 661 CG TRP A 43 7.641 -2.491 -6.000 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.452 -1.612 -6.660 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.380 -1.830 -5.839 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.771 -0.448 -6.922 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.497 -0.557 -6.427 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.163 -2.192 -5.251 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.441 0.353 -6.449 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.118 -1.289 -5.273 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.262 -0.027 -5.865 1.00 0.00 C ATOM 0 H TRP A 43 8.066 -4.263 -7.958 1.00 0.00 H new ATOM 0 HA TRP A 43 10.073 -3.816 -6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.140 -4.527 -5.674 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.184 -3.833 -4.449 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.478 -1.804 -6.936 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.151 0.365 -7.406 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.043 -3.160 -4.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.549 1.324 -6.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.173 -1.560 -4.826 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.428 0.659 -5.861 1.00 0.00 H new ATOM 680 N ILE A 44 8.787 -6.853 -6.011 1.00 0.00 N ATOM 681 CA ILE A 44 8.963 -8.211 -5.500 1.00 0.00 C ATOM 682 C ILE A 44 10.381 -8.715 -5.744 1.00 0.00 C ATOM 683 O ILE A 44 10.966 -9.375 -4.890 1.00 0.00 O ATOM 684 CB ILE A 44 7.949 -9.186 -6.140 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.521 -8.729 -5.833 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.177 -10.605 -5.639 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.463 -9.490 -6.598 1.00 0.00 C ATOM 0 H ILE A 44 8.046 -6.762 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 44 8.784 -8.173 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 44 8.095 -9.183 -7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.335 -8.840 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.431 -7.668 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.453 -11.275 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.186 -10.925 -5.900 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.056 -10.632 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.477 -9.112 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.623 -9.359 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.525 -10.549 -6.349 1.00 0.00 H new ATOM 699 N ILE A 45 10.939 -8.388 -6.900 1.00 0.00 N ATOM 700 CA ILE A 45 12.296 -8.804 -7.234 1.00 0.00 C ATOM 701 C ILE A 45 13.317 -8.103 -6.338 1.00 0.00 C ATOM 702 O ILE A 45 14.206 -8.742 -5.777 1.00 0.00 O ATOM 703 CB ILE A 45 12.631 -8.514 -8.714 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.680 -9.283 -9.637 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.080 -8.881 -9.020 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.862 -8.966 -11.110 1.00 0.00 C ATOM 0 H ILE A 45 10.475 -7.837 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 45 12.349 -9.880 -7.069 1.00 0.00 H new ATOM 0 HB ILE A 45 12.502 -7.446 -8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.827 -10.352 -9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.652 -9.059 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.296 -8.669 -10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.745 -8.294 -8.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.236 -9.942 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.153 -9.549 -11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.685 -7.904 -11.278 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.878 -9.217 -11.413 1.00 0.00 H new ATOM 718 N LYS A 46 13.171 -6.789 -6.196 1.00 0.00 N ATOM 719 CA LYS A 46 14.131 -5.987 -5.444 1.00 0.00 C ATOM 720 C LYS A 46 14.114 -6.354 -3.960 1.00 0.00 C ATOM 721 O LYS A 46 15.159 -6.628 -3.371 1.00 0.00 O ATOM 722 CB LYS A 46 13.839 -4.490 -5.632 1.00 0.00 C ATOM 723 CG LYS A 46 14.839 -3.560 -4.948 1.00 0.00 C ATOM 724 CD LYS A 46 14.308 -3.032 -3.621 1.00 0.00 C ATOM 725 CE LYS A 46 15.296 -2.089 -2.945 1.00 0.00 C ATOM 726 NZ LYS A 46 16.505 -2.801 -2.446 1.00 0.00 N ATOM 0 H LYS A 46 12.396 -6.256 -6.592 1.00 0.00 H new ATOM 0 HA LYS A 46 15.127 -6.201 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.825 -4.266 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.841 -4.276 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.774 -4.094 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.066 -2.722 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.366 -2.510 -3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.094 -3.870 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.598 -1.316 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.804 -1.586 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.116 -2.132 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.217 -3.567 -1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.028 -3.202 -3.250 1.00 0.00 H new ATOM 740 N TYR A 47 12.931 -6.372 -3.357 1.00 0.00 N ATOM 741 CA TYR A 47 12.823 -6.650 -1.927 1.00 0.00 C ATOM 742 C TYR A 47 12.938 -8.143 -1.644 1.00 0.00 C ATOM 743 O TYR A 47 13.452 -8.546 -0.601 1.00 0.00 O ATOM 744 CB TYR A 47 11.517 -6.081 -1.364 1.00 0.00 C ATOM 745 CG TYR A 47 11.467 -4.571 -1.416 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.079 -3.799 -0.436 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.813 -3.916 -2.450 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.042 -2.420 -0.488 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.773 -2.539 -2.509 1.00 0.00 C ATOM 750 CZ TYR A 47 11.387 -1.795 -1.525 1.00 0.00 C ATOM 751 OH TYR A 47 11.348 -0.422 -1.584 1.00 0.00 O ATOM 0 H TYR A 47 12.042 -6.200 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 47 13.654 -6.156 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.676 -6.488 -1.926 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.398 -6.409 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.592 -4.286 0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.327 -4.495 -3.222 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.524 -1.835 0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.263 -2.046 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 47 12.194 -0.086 -1.947 1.00 0.00 H new ATOM 761 N GLY A 48 12.488 -8.958 -2.589 1.00 0.00 N ATOM 762 CA GLY A 48 12.605 -10.401 -2.454 1.00 0.00 C ATOM 763 C GLY A 48 14.024 -10.893 -2.679 1.00 0.00 C ATOM 764 O GLY A 48 14.311 -12.083 -2.548 1.00 0.00 O ATOM 0 H GLY A 48 12.042 -8.646 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.275 -10.697 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.939 -10.885 -3.168 1.00 0.00 H new ATOM 928 N ALA A 61 25.654 7.482 -17.787 1.00 0.00 N ATOM 929 CA ALA A 61 24.342 7.931 -18.229 1.00 0.00 C ATOM 930 C ALA A 61 23.919 9.215 -17.533 1.00 0.00 C ATOM 931 O ALA A 61 22.906 9.814 -17.883 1.00 0.00 O ATOM 932 CB ALA A 61 23.307 6.842 -18.010 1.00 0.00 C ATOM 0 HA ALA A 61 24.411 8.145 -19.296 1.00 0.00 H new ATOM 0 HB1 ALA A 61 22.332 7.194 -18.346 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.587 5.954 -18.577 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.258 6.595 -16.950 1.00 0.00 H new ATOM 938 N VAL A 62 24.712 9.651 -16.571 1.00 0.00 N ATOM 939 CA VAL A 62 24.441 10.900 -15.872 1.00 0.00 C ATOM 940 C VAL A 62 24.830 12.080 -16.753 1.00 0.00 C ATOM 941 O VAL A 62 24.106 13.073 -16.854 1.00 0.00 O ATOM 942 CB VAL A 62 25.196 10.979 -14.520 1.00 0.00 C ATOM 943 CG1 VAL A 62 24.901 12.289 -13.802 1.00 0.00 C ATOM 944 CG2 VAL A 62 24.828 9.799 -13.633 1.00 0.00 C ATOM 0 H VAL A 62 25.549 9.161 -16.254 1.00 0.00 H new ATOM 0 HA VAL A 62 23.373 10.937 -15.658 1.00 0.00 H new ATOM 0 HB VAL A 62 26.265 10.940 -14.731 1.00 0.00 H new ATOM 0 HG11 VAL A 62 25.444 12.316 -12.857 1.00 0.00 H new ATOM 0 HG12 VAL A 62 25.217 13.125 -14.426 1.00 0.00 H new ATOM 0 HG13 VAL A 62 23.831 12.365 -13.608 1.00 0.00 H new ATOM 0 HG21 VAL A 62 25.368 9.871 -12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 62 23.755 9.810 -13.440 1.00 0.00 H new ATOM 0 HG23 VAL A 62 25.097 8.869 -14.134 1.00 0.00 H new ATOM 954 N SER A 63 25.966 11.945 -17.407 1.00 0.00 N ATOM 955 CA SER A 63 26.453 12.957 -18.327 1.00 0.00 C ATOM 956 C SER A 63 25.568 13.013 -19.569 1.00 0.00 C ATOM 957 O SER A 63 25.311 14.085 -20.123 1.00 0.00 O ATOM 958 CB SER A 63 27.894 12.634 -18.723 1.00 0.00 C ATOM 959 OG SER A 63 28.674 12.323 -17.577 1.00 0.00 O ATOM 0 H SER A 63 26.577 11.133 -17.317 1.00 0.00 H new ATOM 0 HA SER A 63 26.423 13.930 -17.837 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.906 11.793 -19.416 1.00 0.00 H new ATOM 0 HB3 SER A 63 28.331 13.484 -19.247 1.00 0.00 H new ATOM 0 HG SER A 63 29.592 12.118 -17.852 1.00 0.00 H new ATOM 965 N GLU A 64 25.084 11.846 -19.977 1.00 0.00 N ATOM 966 CA GLU A 64 24.254 11.724 -21.166 1.00 0.00 C ATOM 967 C GLU A 64 22.856 12.273 -20.908 1.00 0.00 C ATOM 968 O GLU A 64 22.254 12.902 -21.778 1.00 0.00 O ATOM 969 CB GLU A 64 24.199 10.254 -21.595 1.00 0.00 C ATOM 970 CG GLU A 64 23.379 9.994 -22.851 1.00 0.00 C ATOM 971 CD GLU A 64 23.545 8.575 -23.363 1.00 0.00 C ATOM 972 OE1 GLU A 64 22.790 7.682 -22.927 1.00 0.00 O ATOM 973 OE2 GLU A 64 24.447 8.349 -24.198 1.00 0.00 O ATOM 0 H GLU A 64 25.255 10.963 -19.495 1.00 0.00 H new ATOM 0 HA GLU A 64 24.691 12.312 -21.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.216 9.898 -21.760 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.784 9.665 -20.777 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.326 10.181 -22.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.678 10.696 -23.629 1.00 0.00 H new ATOM 980 N ALA A 65 22.372 12.068 -19.695 1.00 0.00 N ATOM 981 CA ALA A 65 21.045 12.521 -19.299 1.00 0.00 C ATOM 982 C ALA A 65 20.911 14.031 -19.417 1.00 0.00 C ATOM 983 O ALA A 65 19.866 14.530 -19.824 1.00 0.00 O ATOM 984 CB ALA A 65 20.742 12.082 -17.878 1.00 0.00 C ATOM 0 H ALA A 65 22.884 11.585 -18.957 1.00 0.00 H new ATOM 0 HA ALA A 65 20.324 12.066 -19.978 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.748 12.427 -17.595 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.780 10.994 -17.817 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.481 12.509 -17.200 1.00 0.00 H new ATOM 990 N GLU A 66 21.969 14.755 -19.065 1.00 0.00 N ATOM 991 CA GLU A 66 21.953 16.215 -19.141 1.00 0.00 C ATOM 992 C GLU A 66 21.704 16.670 -20.574 1.00 0.00 C ATOM 993 O GLU A 66 20.855 17.521 -20.835 1.00 0.00 O ATOM 994 CB GLU A 66 23.280 16.798 -18.656 1.00 0.00 C ATOM 995 CG GLU A 66 23.241 18.307 -18.481 1.00 0.00 C ATOM 996 CD GLU A 66 24.599 18.902 -18.178 1.00 0.00 C ATOM 997 OE1 GLU A 66 25.379 18.269 -17.439 1.00 0.00 O ATOM 998 OE2 GLU A 66 24.884 20.019 -18.660 1.00 0.00 O ATOM 0 H GLU A 66 22.845 14.358 -18.726 1.00 0.00 H new ATOM 0 HA GLU A 66 21.148 16.573 -18.499 1.00 0.00 H new ATOM 0 HB2 GLU A 66 23.548 16.335 -17.706 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.064 16.541 -19.368 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.845 18.762 -19.389 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.553 18.556 -17.673 1.00 0.00 H new ATOM 1005 N GLN A 67 22.451 16.079 -21.496 1.00 0.00 N ATOM 1006 CA GLN A 67 22.346 16.413 -22.909 1.00 0.00 C ATOM 1007 C GLN A 67 20.979 16.004 -23.444 1.00 0.00 C ATOM 1008 O GLN A 67 20.377 16.712 -24.251 1.00 0.00 O ATOM 1009 CB GLN A 67 23.472 15.723 -23.680 1.00 0.00 C ATOM 1010 CG GLN A 67 24.848 16.083 -23.144 1.00 0.00 C ATOM 1011 CD GLN A 67 25.949 15.205 -23.697 1.00 0.00 C ATOM 1012 OE1 GLN A 67 25.875 14.729 -24.829 1.00 0.00 O ATOM 1013 NE2 GLN A 67 26.971 14.968 -22.892 1.00 0.00 N ATOM 0 H GLN A 67 23.143 15.359 -21.287 1.00 0.00 H new ATOM 0 HA GLN A 67 22.447 17.490 -23.040 1.00 0.00 H new ATOM 0 HB2 GLN A 67 23.336 14.643 -23.627 1.00 0.00 H new ATOM 0 HB3 GLN A 67 23.411 16.001 -24.732 1.00 0.00 H new ATOM 0 HG2 GLN A 67 25.065 17.123 -23.386 1.00 0.00 H new ATOM 0 HG3 GLN A 67 24.840 16.004 -22.057 1.00 0.00 H new ATOM 0 HE21 GLN A 67 26.993 15.383 -21.960 1.00 0.00 H new ATOM 0 HE22 GLN A 67 27.737 14.371 -23.203 1.00 0.00 H new ATOM 1022 N ILE A 68 20.488 14.871 -22.959 1.00 0.00 N ATOM 1023 CA ILE A 68 19.152 14.393 -23.297 1.00 0.00 C ATOM 1024 C ILE A 68 18.079 15.366 -22.792 1.00 0.00 C ATOM 1025 O ILE A 68 17.097 15.642 -23.484 1.00 0.00 O ATOM 1026 CB ILE A 68 18.910 12.980 -22.711 1.00 0.00 C ATOM 1027 CG1 ILE A 68 19.787 11.945 -23.431 1.00 0.00 C ATOM 1028 CG2 ILE A 68 17.439 12.589 -22.801 1.00 0.00 C ATOM 1029 CD1 ILE A 68 19.530 11.856 -24.921 1.00 0.00 C ATOM 0 H ILE A 68 21.001 14.260 -22.324 1.00 0.00 H new ATOM 0 HA ILE A 68 19.082 14.336 -24.383 1.00 0.00 H new ATOM 0 HB ILE A 68 19.186 13.001 -21.657 1.00 0.00 H new ATOM 0 HG12 ILE A 68 20.835 12.194 -23.267 1.00 0.00 H new ATOM 0 HG13 ILE A 68 19.618 10.965 -22.984 1.00 0.00 H new ATOM 0 HG21 ILE A 68 17.301 11.592 -22.382 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.837 13.305 -22.241 1.00 0.00 H new ATOM 0 HG23 ILE A 68 17.125 12.590 -23.845 1.00 0.00 H new ATOM 0 HD11 ILE A 68 20.187 11.104 -25.359 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.491 11.576 -25.095 1.00 0.00 H new ATOM 0 HD13 ILE A 68 19.727 12.824 -25.383 1.00 0.00 H new ATOM 1041 N ARG A 69 18.287 15.892 -21.587 1.00 0.00 N ATOM 1042 CA ARG A 69 17.364 16.847 -20.985 1.00 0.00 C ATOM 1043 C ARG A 69 17.283 18.130 -21.802 1.00 0.00 C ATOM 1044 O ARG A 69 16.205 18.689 -21.973 1.00 0.00 O ATOM 1045 CB ARG A 69 17.774 17.157 -19.540 1.00 0.00 C ATOM 1046 CG ARG A 69 17.461 16.030 -18.563 1.00 0.00 C ATOM 1047 CD ARG A 69 16.005 16.060 -18.106 1.00 0.00 C ATOM 1048 NE ARG A 69 15.063 16.102 -19.228 1.00 0.00 N ATOM 1049 CZ ARG A 69 13.806 16.538 -19.126 1.00 0.00 C ATOM 1050 NH1 ARG A 69 13.309 16.873 -17.944 1.00 0.00 N ATOM 1051 NH2 ARG A 69 13.039 16.608 -20.207 1.00 0.00 N ATOM 0 H ARG A 69 19.095 15.669 -21.005 1.00 0.00 H new ATOM 0 HA ARG A 69 16.374 16.392 -20.977 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.844 17.365 -19.511 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.264 18.063 -19.213 1.00 0.00 H new ATOM 0 HG2 ARG A 69 17.673 15.071 -19.035 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.116 16.110 -17.695 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.801 15.179 -17.498 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.846 16.931 -17.470 1.00 0.00 H new ATOM 0 HE ARG A 69 15.387 15.779 -20.140 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.888 16.798 -17.108 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.348 17.206 -17.871 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.411 16.329 -21.115 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.078 16.941 -20.130 1.00 0.00 H new ATOM 1065 N GLN A 70 18.419 18.581 -22.315 1.00 0.00 N ATOM 1066 CA GLN A 70 18.468 19.783 -23.127 1.00 0.00 C ATOM 1067 C GLN A 70 17.916 19.497 -24.524 1.00 0.00 C ATOM 1068 O GLN A 70 17.273 20.344 -25.142 1.00 0.00 O ATOM 1069 CB GLN A 70 19.916 20.269 -23.208 1.00 0.00 C ATOM 1070 CG GLN A 70 20.147 21.691 -22.692 1.00 0.00 C ATOM 1071 CD GLN A 70 19.488 22.780 -23.529 1.00 0.00 C ATOM 1072 OE1 GLN A 70 18.423 22.591 -24.112 1.00 0.00 O ATOM 1073 NE2 GLN A 70 20.130 23.937 -23.598 1.00 0.00 N ATOM 0 H GLN A 70 19.323 18.128 -22.181 1.00 0.00 H new ATOM 0 HA GLN A 70 17.853 20.560 -22.673 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.546 19.585 -22.640 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.244 20.217 -24.246 1.00 0.00 H new ATOM 0 HG2 GLN A 70 19.773 21.759 -21.670 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.220 21.880 -22.652 1.00 0.00 H new ATOM 0 HE21 GLN A 70 21.012 24.061 -23.102 1.00 0.00 H new ATOM 0 HE22 GLN A 70 19.742 24.704 -24.147 1.00 0.00 H new ATOM 1082 N LEU A 71 18.159 18.288 -25.007 1.00 0.00 N ATOM 1083 CA LEU A 71 17.707 17.885 -26.331 1.00 0.00 C ATOM 1084 C LEU A 71 16.182 17.913 -26.400 1.00 0.00 C ATOM 1085 O LEU A 71 15.603 18.608 -27.236 1.00 0.00 O ATOM 1086 CB LEU A 71 18.244 16.484 -26.664 1.00 0.00 C ATOM 1087 CG LEU A 71 18.281 16.102 -28.157 1.00 0.00 C ATOM 1088 CD1 LEU A 71 16.881 15.893 -28.724 1.00 0.00 C ATOM 1089 CD2 LEU A 71 19.026 17.162 -28.960 1.00 0.00 C ATOM 0 H LEU A 71 18.669 17.565 -24.499 1.00 0.00 H new ATOM 0 HA LEU A 71 18.093 18.588 -27.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.255 16.402 -26.265 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.633 15.750 -26.138 1.00 0.00 H new ATOM 0 HG LEU A 71 18.814 15.155 -28.239 1.00 0.00 H new ATOM 0 HD11 LEU A 71 16.952 15.625 -29.778 1.00 0.00 H new ATOM 0 HD12 LEU A 71 16.384 15.091 -28.179 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.306 16.813 -28.621 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.043 16.877 -30.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.521 18.122 -28.852 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.048 17.247 -28.591 1.00 0.00 H new ATOM 1101 N LYS A 72 15.533 17.174 -25.513 1.00 0.00 N ATOM 1102 CA LYS A 72 14.079 17.068 -25.539 1.00 0.00 C ATOM 1103 C LYS A 72 13.429 18.248 -24.814 1.00 0.00 C ATOM 1104 O LYS A 72 12.340 18.691 -25.189 1.00 0.00 O ATOM 1105 CB LYS A 72 13.638 15.734 -24.922 1.00 0.00 C ATOM 1106 CG LYS A 72 12.158 15.417 -25.109 1.00 0.00 C ATOM 1107 CD LYS A 72 11.737 15.516 -26.570 1.00 0.00 C ATOM 1108 CE LYS A 72 12.515 14.560 -27.467 1.00 0.00 C ATOM 1109 NZ LYS A 72 12.150 13.137 -27.234 1.00 0.00 N ATOM 0 H LYS A 72 15.985 16.641 -24.770 1.00 0.00 H new ATOM 0 HA LYS A 72 13.748 17.097 -26.577 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.228 14.930 -25.362 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.863 15.748 -23.856 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.952 14.413 -24.739 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.561 16.106 -24.511 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.672 15.301 -26.653 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.885 16.538 -26.919 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.329 14.813 -28.511 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.583 14.691 -27.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.706 12.528 -27.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.352 12.884 -26.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.137 13.003 -27.426 1.00 0.00 H new