USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 479 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 44 ASN : amide:sc= -1.67 K(o=-2.1,f=-10!) USER MOD Set 1.2: A 45 ASN :FLIP amide:sc= -0.446 F(o=-4.9,f=-2.1) USER MOD Set 2.1: A 31 THR OG1 : rot 99:sc= -1.02 USER MOD Set 2.2: A 34 CYS SG : rot -170:sc= -0.103 USER MOD Set 2.3: A 37 GLN : amide:sc= -1.93 K(o=-3.1,f=-9.3!) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 157:sc= 1.05 (180deg=0) USER MOD Set 3.2: A 25 HIS : no HE2:sc= -0.219 K(o=0.83,f=-8.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 17 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.25) USER MOD Single : A 22 ASN : amide:sc= -3.07 K(o=-3.1,f=-16!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -7.047 -8.206 -5.083 1.00 0.00 N ATOM 152 CA PRO A 10 -5.633 -8.629 -5.186 1.00 0.00 C ATOM 153 C PRO A 10 -4.874 -8.503 -3.868 1.00 0.00 C ATOM 154 O PRO A 10 -4.383 -9.492 -3.324 1.00 0.00 O ATOM 155 CB PRO A 10 -5.068 -7.683 -6.236 1.00 0.00 C ATOM 156 CG PRO A 10 -5.952 -6.447 -6.241 1.00 0.00 C ATOM 157 CD PRO A 10 -7.299 -6.850 -5.638 1.00 0.00 C ATOM 0 HA PRO A 10 -5.540 -9.684 -5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.037 -7.419 -6.002 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.061 -8.156 -7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.495 -5.645 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.082 -6.071 -7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.615 -6.152 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.086 -6.866 -6.392 1.00 0.00 H new ATOM 165 N CYS A 11 -4.781 -7.279 -3.362 1.00 0.00 N ATOM 166 CA CYS A 11 -4.074 -7.044 -2.104 1.00 0.00 C ATOM 167 C CYS A 11 -4.740 -7.809 -0.966 1.00 0.00 C ATOM 168 O CYS A 11 -5.960 -7.967 -0.929 1.00 0.00 O ATOM 169 CB CYS A 11 -4.057 -5.555 -1.749 1.00 0.00 C ATOM 170 SG CYS A 11 -2.756 -4.712 -2.689 1.00 0.00 S ATOM 0 H CYS A 11 -5.178 -6.444 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.050 -7.393 -2.237 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.026 -5.108 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.885 -5.429 -0.680 1.00 0.00 H new ATOM 175 N ARG A 12 -3.915 -8.272 -0.039 1.00 0.00 N ATOM 176 CA ARG A 12 -4.405 -9.018 1.115 1.00 0.00 C ATOM 177 C ARG A 12 -3.563 -8.674 2.336 1.00 0.00 C ATOM 178 O ARG A 12 -4.084 -8.326 3.396 1.00 0.00 O ATOM 179 CB ARG A 12 -4.324 -10.526 0.862 1.00 0.00 C ATOM 180 CG ARG A 12 -5.569 -10.988 0.094 1.00 0.00 C ATOM 181 CD ARG A 12 -6.075 -12.311 0.676 1.00 0.00 C ATOM 182 NE ARG A 12 -5.490 -13.444 -0.036 1.00 0.00 N ATOM 183 CZ ARG A 12 -6.045 -14.651 0.023 1.00 0.00 C ATOM 184 NH1 ARG A 12 -6.481 -15.114 1.163 1.00 0.00 N ATOM 185 NH2 ARG A 12 -6.156 -15.372 -1.059 1.00 0.00 N ATOM 0 H ARG A 12 -2.903 -8.145 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.446 -8.744 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.425 -10.761 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.250 -11.060 1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.349 -10.230 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.331 -11.112 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.821 -12.370 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.162 -12.353 0.606 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.643 -13.307 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.396 -14.550 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.907 -16.040 1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.817 -15.010 -1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.582 -16.298 -1.013 1.00 0.00 H new ATOM 199 N PHE A 13 -2.251 -8.758 2.159 1.00 0.00 N ATOM 200 CA PHE A 13 -1.321 -8.436 3.235 1.00 0.00 C ATOM 201 C PHE A 13 -0.663 -7.094 2.941 1.00 0.00 C ATOM 202 O PHE A 13 -0.168 -6.860 1.838 1.00 0.00 O ATOM 203 CB PHE A 13 -0.234 -9.506 3.367 1.00 0.00 C ATOM 204 CG PHE A 13 -0.867 -10.878 3.405 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.451 -11.347 4.588 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.869 -11.680 2.258 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.038 -12.617 4.623 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.457 -12.951 2.293 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.041 -13.419 3.476 1.00 0.00 C ATOM 0 H PHE A 13 -1.808 -9.045 1.286 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.879 -8.393 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.459 -9.438 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.346 -9.338 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.448 -10.729 5.473 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.417 -11.319 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.489 -12.978 5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.460 -13.570 1.408 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.494 -14.399 3.504 1.00 0.00 H new ATOM 219 N PHE A 14 -0.678 -6.210 3.928 1.00 0.00 N ATOM 220 CA PHE A 14 -0.092 -4.886 3.748 1.00 0.00 C ATOM 221 C PHE A 14 1.189 -4.739 4.555 1.00 0.00 C ATOM 222 O PHE A 14 1.260 -5.133 5.719 1.00 0.00 O ATOM 223 CB PHE A 14 -1.075 -3.802 4.184 1.00 0.00 C ATOM 224 CG PHE A 14 -2.068 -3.551 3.080 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.871 -4.592 2.602 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.182 -2.273 2.533 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.790 -4.351 1.574 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.099 -2.027 1.507 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.905 -3.067 1.027 1.00 0.00 C ATOM 0 H PHE A 14 -1.082 -6.379 4.849 1.00 0.00 H new ATOM 0 HA PHE A 14 0.137 -4.772 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.594 -4.111 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.538 -2.883 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.782 -5.581 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.560 -1.471 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.410 -5.154 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.186 -1.037 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.615 -2.879 0.235 1.00 0.00 H new ATOM 239 N GLU A 15 2.201 -4.155 3.922 1.00 0.00 N ATOM 240 CA GLU A 15 3.481 -3.945 4.587 1.00 0.00 C ATOM 241 C GLU A 15 3.579 -2.507 5.099 1.00 0.00 C ATOM 242 O GLU A 15 4.298 -1.677 4.542 1.00 0.00 O ATOM 243 CB GLU A 15 4.638 -4.221 3.624 1.00 0.00 C ATOM 244 CG GLU A 15 4.606 -5.690 3.196 1.00 0.00 C ATOM 245 CD GLU A 15 5.384 -6.530 4.203 1.00 0.00 C ATOM 246 OE1 GLU A 15 4.987 -6.552 5.356 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.363 -7.139 3.806 1.00 0.00 O ATOM 0 H GLU A 15 2.161 -3.822 2.959 1.00 0.00 H new ATOM 0 HA GLU A 15 3.546 -4.635 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.560 -3.575 2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.589 -3.992 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.575 -6.039 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.040 -5.800 2.202 1.00 0.00 H new ATOM 254 N SER A 16 2.841 -2.221 6.171 1.00 0.00 N ATOM 255 CA SER A 16 2.848 -0.879 6.754 1.00 0.00 C ATOM 256 C SER A 16 4.256 -0.498 7.208 1.00 0.00 C ATOM 257 O SER A 16 4.624 0.677 7.208 1.00 0.00 O ATOM 258 CB SER A 16 1.901 -0.807 7.951 1.00 0.00 C ATOM 259 OG SER A 16 2.082 -1.959 8.764 1.00 0.00 O ATOM 0 H SER A 16 2.238 -2.891 6.649 1.00 0.00 H new ATOM 0 HA SER A 16 2.514 -0.181 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.097 0.095 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.868 -0.748 7.609 1.00 0.00 H new ATOM 0 HG SER A 16 1.477 -1.915 9.534 1.00 0.00 H new ATOM 265 N HIS A 17 5.040 -1.506 7.588 1.00 0.00 N ATOM 266 CA HIS A 17 6.412 -1.268 8.037 1.00 0.00 C ATOM 267 C HIS A 17 7.228 -0.553 6.957 1.00 0.00 C ATOM 268 O HIS A 17 8.242 0.082 7.249 1.00 0.00 O ATOM 269 CB HIS A 17 7.098 -2.591 8.380 1.00 0.00 C ATOM 270 CG HIS A 17 6.531 -3.133 9.663 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.418 -2.357 10.806 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.042 -4.370 10.000 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.879 -3.130 11.768 1.00 0.00 C ATOM 274 NE2 HIS A 17 5.631 -4.366 11.329 1.00 0.00 N ATOM 0 H HIS A 17 4.754 -2.485 7.595 1.00 0.00 H new ATOM 0 HA HIS A 17 6.363 -0.637 8.924 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.951 -3.309 7.573 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.173 -2.440 8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.985 -5.218 9.334 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.673 -2.791 12.772 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.227 -5.141 11.855 1.00 0.00 H new ATOM 282 N VAL A 18 6.777 -0.658 5.703 1.00 0.00 N ATOM 283 CA VAL A 18 7.469 -0.017 4.589 1.00 0.00 C ATOM 284 C VAL A 18 7.603 1.484 4.832 1.00 0.00 C ATOM 285 O VAL A 18 6.857 2.080 5.608 1.00 0.00 O ATOM 286 CB VAL A 18 6.700 -0.254 3.280 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.440 0.390 2.100 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.578 -1.758 3.030 1.00 0.00 C ATOM 0 H VAL A 18 5.941 -1.178 5.438 1.00 0.00 H new ATOM 0 HA VAL A 18 8.464 -0.455 4.510 1.00 0.00 H new ATOM 0 HB VAL A 18 5.711 0.195 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.882 0.213 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.530 1.463 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.434 -0.048 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.033 -1.930 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.573 -2.196 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.041 -2.222 3.857 1.00 0.00 H new ATOM 298 N ALA A 19 8.568 2.077 4.147 1.00 0.00 N ATOM 299 CA ALA A 19 8.819 3.503 4.263 1.00 0.00 C ATOM 300 C ALA A 19 9.226 4.057 2.905 1.00 0.00 C ATOM 301 O ALA A 19 9.925 3.400 2.139 1.00 0.00 O ATOM 302 CB ALA A 19 9.936 3.769 5.270 1.00 0.00 C ATOM 0 H ALA A 19 9.192 1.590 3.503 1.00 0.00 H new ATOM 0 HA ALA A 19 7.908 3.992 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.111 4.842 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.646 3.380 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.849 3.275 4.939 1.00 0.00 H new ATOM 308 N ARG A 20 8.777 5.273 2.613 1.00 0.00 N ATOM 309 CA ARG A 20 9.084 5.931 1.332 1.00 0.00 C ATOM 310 C ARG A 20 10.552 5.753 0.922 1.00 0.00 C ATOM 311 O ARG A 20 10.880 5.750 -0.265 1.00 0.00 O ATOM 312 CB ARG A 20 8.776 7.420 1.423 1.00 0.00 C ATOM 313 CG ARG A 20 8.565 7.987 0.019 1.00 0.00 C ATOM 314 CD ARG A 20 8.889 9.481 0.018 1.00 0.00 C ATOM 315 NE ARG A 20 8.228 10.151 -1.100 1.00 0.00 N ATOM 316 CZ ARG A 20 8.919 10.554 -2.162 1.00 0.00 C ATOM 317 NH1 ARG A 20 10.022 11.234 -2.004 1.00 0.00 N ATOM 318 NH2 ARG A 20 8.495 10.270 -3.362 1.00 0.00 N ATOM 0 H ARG A 20 8.198 5.830 3.242 1.00 0.00 H new ATOM 0 HA ARG A 20 8.460 5.457 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.884 7.581 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.596 7.942 1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.203 7.465 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.534 7.827 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.568 9.929 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.967 9.625 -0.051 1.00 0.00 H new ATOM 0 HE ARG A 20 7.221 10.312 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.354 11.456 -1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.552 11.543 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.633 9.739 -3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.025 10.579 -4.177 1.00 0.00 H new ATOM 332 N ALA A 21 11.426 5.601 1.912 1.00 0.00 N ATOM 333 CA ALA A 21 12.847 5.422 1.637 1.00 0.00 C ATOM 334 C ALA A 21 13.094 4.145 0.840 1.00 0.00 C ATOM 335 O ALA A 21 13.560 4.189 -0.299 1.00 0.00 O ATOM 336 CB ALA A 21 13.643 5.355 2.942 1.00 0.00 C ATOM 0 H ALA A 21 11.179 5.598 2.902 1.00 0.00 H new ATOM 0 HA ALA A 21 13.177 6.279 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.701 5.221 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.505 6.281 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.291 4.515 3.540 1.00 0.00 H new ATOM 342 N ASN A 22 12.787 3.006 1.452 1.00 0.00 N ATOM 343 CA ASN A 22 12.993 1.722 0.789 1.00 0.00 C ATOM 344 C ASN A 22 12.008 1.521 -0.368 1.00 0.00 C ATOM 345 O ASN A 22 12.194 0.635 -1.196 1.00 0.00 O ATOM 346 CB ASN A 22 12.881 0.566 1.802 1.00 0.00 C ATOM 347 CG ASN A 22 11.437 0.354 2.268 1.00 0.00 C ATOM 348 OD1 ASN A 22 10.523 1.054 1.843 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.178 -0.595 3.123 1.00 0.00 N ATOM 0 H ASN A 22 12.400 2.944 2.394 1.00 0.00 H new ATOM 0 HA ASN A 22 13.999 1.724 0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.255 -0.352 1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.514 0.776 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.220 -0.753 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.933 -1.180 3.480 1.00 0.00 H new ATOM 356 N VAL A 23 10.965 2.350 -0.431 1.00 0.00 N ATOM 357 CA VAL A 23 9.995 2.223 -1.515 1.00 0.00 C ATOM 358 C VAL A 23 10.630 2.700 -2.815 1.00 0.00 C ATOM 359 O VAL A 23 11.195 3.791 -2.885 1.00 0.00 O ATOM 360 CB VAL A 23 8.735 3.045 -1.230 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.677 2.749 -2.295 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.181 2.681 0.157 1.00 0.00 C ATOM 0 H VAL A 23 10.774 3.097 0.237 1.00 0.00 H new ATOM 0 HA VAL A 23 9.706 1.175 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 23 8.986 4.105 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.781 3.335 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.067 3.013 -3.278 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.429 1.688 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.284 3.268 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.933 1.620 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.932 2.897 0.917 1.00 0.00 H new ATOM 372 N LYS A 24 10.551 1.857 -3.834 1.00 0.00 N ATOM 373 CA LYS A 24 11.142 2.184 -5.129 1.00 0.00 C ATOM 374 C LYS A 24 10.143 2.916 -6.015 1.00 0.00 C ATOM 375 O LYS A 24 10.461 3.947 -6.609 1.00 0.00 O ATOM 376 CB LYS A 24 11.599 0.909 -5.844 1.00 0.00 C ATOM 377 CG LYS A 24 12.863 1.201 -6.656 1.00 0.00 C ATOM 378 CD LYS A 24 12.474 1.762 -8.024 1.00 0.00 C ATOM 379 CE LYS A 24 13.715 2.337 -8.711 1.00 0.00 C ATOM 380 NZ LYS A 24 13.303 3.091 -9.930 1.00 0.00 N ATOM 0 H LYS A 24 10.089 0.949 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 24 12.000 2.832 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.796 0.122 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.809 0.545 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.492 1.915 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.448 0.289 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.035 0.977 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.717 2.537 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.251 2.995 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.400 1.533 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.038 3.785 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.175 2.428 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.407 3.587 -9.746 1.00 0.00 H new ATOM 394 N HIS A 25 8.935 2.374 -6.107 1.00 0.00 N ATOM 395 CA HIS A 25 7.905 2.993 -6.937 1.00 0.00 C ATOM 396 C HIS A 25 6.520 2.736 -6.359 1.00 0.00 C ATOM 397 O HIS A 25 6.325 1.822 -5.559 1.00 0.00 O ATOM 398 CB HIS A 25 7.959 2.436 -8.361 1.00 0.00 C ATOM 399 CG HIS A 25 8.983 3.195 -9.159 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.981 4.579 -9.239 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.048 2.778 -9.919 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.013 4.941 -10.021 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.697 3.883 -10.462 1.00 0.00 N ATOM 0 H HIS A 25 8.646 1.522 -5.627 1.00 0.00 H new ATOM 0 HA HIS A 25 8.095 4.066 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.213 1.376 -8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.980 2.520 -8.833 1.00 0.00 H new ATOM 0 HD1 HIS A 25 8.317 5.208 -8.787 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.338 1.749 -10.072 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.259 5.964 -10.263 1.00 0.00 H new ATOM 411 N LEU A 26 5.558 3.553 -6.777 1.00 0.00 N ATOM 412 CA LEU A 26 4.190 3.402 -6.297 1.00 0.00 C ATOM 413 C LEU A 26 3.235 3.146 -7.451 1.00 0.00 C ATOM 414 O LEU A 26 3.384 3.694 -8.543 1.00 0.00 O ATOM 415 CB LEU A 26 3.716 4.660 -5.568 1.00 0.00 C ATOM 416 CG LEU A 26 4.155 4.640 -4.098 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.663 5.917 -3.409 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.556 3.418 -3.383 1.00 0.00 C ATOM 0 H LEU A 26 5.698 4.317 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 26 4.190 2.554 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.120 5.544 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.630 4.731 -5.626 1.00 0.00 H new ATOM 0 HG LEU A 26 5.243 4.584 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.972 5.909 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.091 6.787 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.576 5.965 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.874 3.414 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.468 3.466 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.900 2.506 -3.871 1.00 0.00 H new ATOM 430 N LYS A 27 2.241 2.318 -7.179 1.00 0.00 N ATOM 431 CA LYS A 27 1.229 1.992 -8.182 1.00 0.00 C ATOM 432 C LYS A 27 -0.079 1.604 -7.496 1.00 0.00 C ATOM 433 O LYS A 27 -0.089 1.228 -6.326 1.00 0.00 O ATOM 434 CB LYS A 27 1.701 0.839 -9.075 1.00 0.00 C ATOM 435 CG LYS A 27 1.249 1.085 -10.516 1.00 0.00 C ATOM 436 CD LYS A 27 2.049 0.188 -11.464 1.00 0.00 C ATOM 437 CE LYS A 27 1.491 -1.236 -11.412 1.00 0.00 C ATOM 438 NZ LYS A 27 2.533 -2.194 -11.877 1.00 0.00 N ATOM 0 H LYS A 27 2.109 1.859 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 27 1.067 2.873 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.787 0.755 -9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.294 -0.105 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.184 0.877 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.395 2.132 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.993 0.575 -12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.101 0.188 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.184 -1.481 -10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.604 -1.314 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.155 -3.162 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.805 -1.964 -12.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.367 -2.126 -11.260 1.00 0.00 H new ATOM 452 N ILE A 28 -1.183 1.710 -8.232 1.00 0.00 N ATOM 453 CA ILE A 28 -2.489 1.371 -7.681 1.00 0.00 C ATOM 454 C ILE A 28 -3.298 0.569 -8.697 1.00 0.00 C ATOM 455 O ILE A 28 -3.027 0.609 -9.898 1.00 0.00 O ATOM 456 CB ILE A 28 -3.259 2.645 -7.319 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.406 3.508 -6.386 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.565 2.273 -6.617 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.032 4.897 -6.260 1.00 0.00 C ATOM 0 H ILE A 28 -1.198 2.025 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.337 0.772 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.483 3.203 -8.228 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.335 3.040 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.391 3.589 -6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.111 3.181 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.173 1.659 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.343 1.714 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.424 5.511 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.080 5.365 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.038 4.807 -5.851 1.00 0.00 H new ATOM 471 N LEU A 29 -4.297 -0.152 -8.201 1.00 0.00 N ATOM 472 CA LEU A 29 -5.147 -0.956 -9.076 1.00 0.00 C ATOM 473 C LEU A 29 -6.618 -0.739 -8.731 1.00 0.00 C ATOM 474 O LEU A 29 -6.977 -0.558 -7.568 1.00 0.00 O ATOM 475 CB LEU A 29 -4.808 -2.446 -8.947 1.00 0.00 C ATOM 476 CG LEU A 29 -4.947 -2.890 -7.488 1.00 0.00 C ATOM 477 CD1 LEU A 29 -6.316 -3.537 -7.277 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.851 -3.906 -7.155 1.00 0.00 C ATOM 0 H LEU A 29 -4.538 -0.198 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.965 -0.641 -10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.472 -3.035 -9.580 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.791 -2.628 -9.296 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.850 -2.021 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.413 -3.852 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.099 -2.816 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.413 -4.404 -7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.951 -4.221 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.948 -4.773 -7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.873 -3.448 -7.303 1.00 0.00 H new ATOM 490 N ASN A 30 -7.463 -0.750 -9.759 1.00 0.00 N ATOM 491 CA ASN A 30 -8.895 -0.545 -9.558 1.00 0.00 C ATOM 492 C ASN A 30 -9.623 -1.882 -9.454 1.00 0.00 C ATOM 493 O ASN A 30 -9.554 -2.716 -10.357 1.00 0.00 O ATOM 494 CB ASN A 30 -9.489 0.256 -10.718 1.00 0.00 C ATOM 495 CG ASN A 30 -10.724 1.009 -10.237 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.698 0.401 -9.797 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.741 2.313 -10.296 1.00 0.00 N ATOM 0 H ASN A 30 -7.185 -0.897 -10.729 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.024 0.009 -8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.750 0.958 -11.105 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.754 -0.412 -11.537 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.562 2.827 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.933 2.818 -10.661 1.00 0.00 H new ATOM 504 N THR A 31 -10.320 -2.073 -8.339 1.00 0.00 N ATOM 505 CA THR A 31 -11.062 -3.309 -8.111 1.00 0.00 C ATOM 506 C THR A 31 -12.512 -2.985 -7.731 1.00 0.00 C ATOM 507 O THR A 31 -12.761 -2.009 -7.024 1.00 0.00 O ATOM 508 CB THR A 31 -10.415 -4.101 -6.973 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.016 -3.862 -6.971 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.678 -5.594 -7.162 1.00 0.00 C ATOM 0 H THR A 31 -10.387 -1.392 -7.582 1.00 0.00 H new ATOM 0 HA THR A 31 -11.046 -3.901 -9.026 1.00 0.00 H new ATOM 0 HB THR A 31 -10.844 -3.782 -6.023 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.800 -3.187 -6.294 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.214 -6.151 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.753 -5.777 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.255 -5.921 -8.112 1.00 0.00 H new ATOM 518 N PRO A 32 -13.490 -3.791 -8.182 1.00 0.00 N ATOM 519 CA PRO A 32 -14.909 -3.550 -7.853 1.00 0.00 C ATOM 520 C PRO A 32 -15.257 -4.016 -6.444 1.00 0.00 C ATOM 521 O PRO A 32 -15.989 -3.347 -5.715 1.00 0.00 O ATOM 522 CB PRO A 32 -15.648 -4.365 -8.906 1.00 0.00 C ATOM 523 CG PRO A 32 -14.693 -5.450 -9.377 1.00 0.00 C ATOM 524 CD PRO A 32 -13.274 -4.988 -9.034 1.00 0.00 C ATOM 0 HA PRO A 32 -15.170 -2.492 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.555 -4.803 -8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.954 -3.732 -9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.917 -6.398 -8.888 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.795 -5.613 -10.450 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.718 -5.762 -8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.705 -4.744 -9.931 1.00 0.00 H new ATOM 532 N ASN A 33 -14.707 -5.163 -6.065 1.00 0.00 N ATOM 533 CA ASN A 33 -14.945 -5.707 -4.736 1.00 0.00 C ATOM 534 C ASN A 33 -14.406 -4.752 -3.671 1.00 0.00 C ATOM 535 O ASN A 33 -14.918 -4.691 -2.553 1.00 0.00 O ATOM 536 CB ASN A 33 -14.258 -7.066 -4.581 1.00 0.00 C ATOM 537 CG ASN A 33 -15.214 -8.171 -5.013 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.584 -8.260 -6.185 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.644 -9.030 -4.128 1.00 0.00 N ATOM 0 H ASN A 33 -14.098 -5.730 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.020 -5.830 -4.608 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.351 -7.098 -5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.956 -7.217 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.285 -9.773 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.339 -8.958 -3.157 1.00 0.00 H new ATOM 546 N CYS A 34 -13.366 -4.002 -4.038 1.00 0.00 N ATOM 547 CA CYS A 34 -12.759 -3.045 -3.117 1.00 0.00 C ATOM 548 C CYS A 34 -12.851 -1.635 -3.695 1.00 0.00 C ATOM 549 O CYS A 34 -13.495 -1.413 -4.720 1.00 0.00 O ATOM 550 CB CYS A 34 -11.286 -3.394 -2.882 1.00 0.00 C ATOM 551 SG CYS A 34 -11.157 -5.084 -2.245 1.00 0.00 S ATOM 0 H CYS A 34 -12.930 -4.039 -4.960 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.296 -3.090 -2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.727 -3.302 -3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.844 -2.693 -2.174 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.939 -5.307 -1.850 1.00 0.00 H new ATOM 556 N ALA A 35 -12.202 -0.684 -3.029 1.00 0.00 N ATOM 557 CA ALA A 35 -12.221 0.701 -3.491 1.00 0.00 C ATOM 558 C ALA A 35 -10.983 1.002 -4.334 1.00 0.00 C ATOM 559 O ALA A 35 -11.059 1.101 -5.558 1.00 0.00 O ATOM 560 CB ALA A 35 -12.269 1.664 -2.300 1.00 0.00 C ATOM 0 H ALA A 35 -11.663 -0.843 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.113 0.840 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.283 2.692 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.169 1.474 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.390 1.512 -1.674 1.00 0.00 H new ATOM 566 N LEU A 36 -9.845 1.145 -3.662 1.00 0.00 N ATOM 567 CA LEU A 36 -8.588 1.434 -4.349 1.00 0.00 C ATOM 568 C LEU A 36 -7.409 0.983 -3.494 1.00 0.00 C ATOM 569 O LEU A 36 -6.991 1.679 -2.568 1.00 0.00 O ATOM 570 CB LEU A 36 -8.465 2.939 -4.628 1.00 0.00 C ATOM 571 CG LEU A 36 -8.853 3.228 -6.083 1.00 0.00 C ATOM 572 CD1 LEU A 36 -9.586 4.568 -6.162 1.00 0.00 C ATOM 573 CD2 LEU A 36 -7.589 3.288 -6.945 1.00 0.00 C ATOM 0 H LEU A 36 -9.766 1.066 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.580 0.892 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.111 3.498 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.444 3.271 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.507 2.435 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.861 4.772 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.486 4.527 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.934 5.361 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.864 3.493 -7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.936 4.080 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.066 2.333 -6.891 1.00 0.00 H new ATOM 585 N GLN A 37 -6.876 -0.189 -3.819 1.00 0.00 N ATOM 586 CA GLN A 37 -5.739 -0.729 -3.080 1.00 0.00 C ATOM 587 C GLN A 37 -4.439 -0.218 -3.684 1.00 0.00 C ATOM 588 O GLN A 37 -4.131 -0.490 -4.846 1.00 0.00 O ATOM 589 CB GLN A 37 -5.734 -2.260 -3.126 1.00 0.00 C ATOM 590 CG GLN A 37 -7.109 -2.800 -2.722 1.00 0.00 C ATOM 591 CD GLN A 37 -7.933 -3.086 -3.972 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.977 -2.274 -4.895 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.595 -4.206 -4.057 1.00 0.00 N ATOM 0 H GLN A 37 -7.208 -0.779 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.826 -0.403 -2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.481 -2.601 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.969 -2.650 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.995 -3.710 -2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.625 -2.075 -2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.559 -4.879 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.149 -4.409 -4.889 1.00 0.00 H new ATOM 602 N ILE A 38 -3.675 0.525 -2.889 1.00 0.00 N ATOM 603 CA ILE A 38 -2.410 1.059 -3.373 1.00 0.00 C ATOM 604 C ILE A 38 -1.317 0.009 -3.249 1.00 0.00 C ATOM 605 O ILE A 38 -0.987 -0.451 -2.154 1.00 0.00 O ATOM 606 CB ILE A 38 -1.989 2.308 -2.595 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.130 3.328 -2.605 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.751 2.924 -3.259 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.043 4.203 -1.353 1.00 0.00 C ATOM 0 H ILE A 38 -3.905 0.767 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.552 1.332 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.757 2.034 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.070 3.948 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.091 2.814 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.448 3.814 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.063 2.199 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.988 3.197 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.855 4.930 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.124 3.576 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.087 4.727 -1.341 1.00 0.00 H new ATOM 621 N VAL A 39 -0.741 -0.339 -4.387 1.00 0.00 N ATOM 622 CA VAL A 39 0.337 -1.314 -4.412 1.00 0.00 C ATOM 623 C VAL A 39 1.662 -0.572 -4.460 1.00 0.00 C ATOM 624 O VAL A 39 1.694 0.652 -4.596 1.00 0.00 O ATOM 625 CB VAL A 39 0.218 -2.247 -5.621 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.080 -3.049 -5.522 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.208 -1.426 -6.912 1.00 0.00 C ATOM 0 H VAL A 39 -0.999 0.036 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 39 0.278 -1.929 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 39 1.070 -2.927 -5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.164 -3.713 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.073 -3.641 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.929 -2.366 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.123 -2.095 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.640 -0.741 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.134 -0.856 -6.988 1.00 0.00 H new ATOM 637 N ALA A 40 2.752 -1.308 -4.327 1.00 0.00 N ATOM 638 CA ALA A 40 4.063 -0.681 -4.339 1.00 0.00 C ATOM 639 C ALA A 40 5.155 -1.686 -4.637 1.00 0.00 C ATOM 640 O ALA A 40 4.899 -2.872 -4.813 1.00 0.00 O ATOM 641 CB ALA A 40 4.351 -0.059 -2.980 1.00 0.00 C ATOM 0 H ALA A 40 2.758 -2.321 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 40 4.054 0.080 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.335 0.409 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.595 0.693 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.330 -0.834 -2.213 1.00 0.00 H new ATOM 647 N ARG A 41 6.381 -1.181 -4.666 1.00 0.00 N ATOM 648 CA ARG A 41 7.544 -2.023 -4.916 1.00 0.00 C ATOM 649 C ARG A 41 8.717 -1.556 -4.054 1.00 0.00 C ATOM 650 O ARG A 41 9.222 -0.442 -4.220 1.00 0.00 O ATOM 651 CB ARG A 41 7.933 -1.975 -6.395 1.00 0.00 C ATOM 652 CG ARG A 41 9.104 -2.934 -6.665 1.00 0.00 C ATOM 653 CD ARG A 41 8.761 -3.862 -7.835 1.00 0.00 C ATOM 654 NE ARG A 41 9.939 -4.101 -8.664 1.00 0.00 N ATOM 655 CZ ARG A 41 9.830 -4.252 -9.981 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.268 -3.320 -10.700 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.288 -5.332 -10.554 1.00 0.00 N ATOM 0 H ARG A 41 6.596 -0.195 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 41 7.293 -3.051 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.078 -2.250 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.214 -0.959 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.006 -2.365 -6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.316 -3.523 -5.773 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.379 -4.809 -7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.969 -3.418 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 41 10.859 -4.153 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.912 -2.475 -10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.184 -3.436 -11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.729 -6.060 -9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.205 -5.448 -11.564 1.00 0.00 H new ATOM 671 N LEU A 42 9.128 -2.416 -3.118 1.00 0.00 N ATOM 672 CA LEU A 42 10.226 -2.088 -2.211 1.00 0.00 C ATOM 673 C LEU A 42 11.578 -2.314 -2.883 1.00 0.00 C ATOM 674 O LEU A 42 11.699 -3.092 -3.830 1.00 0.00 O ATOM 675 CB LEU A 42 10.163 -2.943 -0.939 1.00 0.00 C ATOM 676 CG LEU A 42 8.726 -3.028 -0.408 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.715 -3.861 0.873 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.199 -1.625 -0.098 1.00 0.00 C ATOM 0 H LEU A 42 8.719 -3.339 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 42 10.120 -1.035 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.537 -3.945 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.813 -2.515 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 42 8.091 -3.492 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.697 -3.926 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.086 -4.863 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.354 -3.389 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.178 -1.695 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.832 -1.157 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.210 -1.023 -1.007 1.00 0.00 H new ATOM 690 N LYS A 43 12.589 -1.614 -2.368 1.00 0.00 N ATOM 691 CA LYS A 43 13.946 -1.716 -2.900 1.00 0.00 C ATOM 692 C LYS A 43 14.751 -2.757 -2.132 1.00 0.00 C ATOM 693 O LYS A 43 15.155 -3.782 -2.680 1.00 0.00 O ATOM 694 CB LYS A 43 14.656 -0.359 -2.795 1.00 0.00 C ATOM 695 CG LYS A 43 14.507 0.406 -4.112 1.00 0.00 C ATOM 696 CD LYS A 43 15.798 1.169 -4.415 1.00 0.00 C ATOM 697 CE LYS A 43 15.996 1.259 -5.929 1.00 0.00 C ATOM 698 NZ LYS A 43 17.449 1.387 -6.234 1.00 0.00 N ATOM 0 H LYS A 43 12.493 -0.970 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 43 13.877 -2.018 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.231 0.222 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.712 -0.507 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.284 -0.287 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.669 1.101 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.751 2.169 -3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.648 0.663 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.589 0.371 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.453 2.116 -6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.584 1.448 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.824 2.247 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.955 0.556 -5.868 1.00 0.00 H new ATOM 712 N ASN A 44 14.983 -2.476 -0.851 1.00 0.00 N ATOM 713 CA ASN A 44 15.749 -3.381 0.014 1.00 0.00 C ATOM 714 C ASN A 44 15.261 -4.825 -0.117 1.00 0.00 C ATOM 715 O ASN A 44 16.026 -5.774 0.059 1.00 0.00 O ATOM 716 CB ASN A 44 15.628 -2.946 1.477 1.00 0.00 C ATOM 717 CG ASN A 44 14.160 -2.916 1.895 1.00 0.00 C ATOM 718 OD1 ASN A 44 13.270 -2.773 1.058 1.00 0.00 O ATOM 719 ND2 ASN A 44 13.853 -3.042 3.157 1.00 0.00 N ATOM 0 H ASN A 44 14.653 -1.630 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 44 16.791 -3.332 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.182 -3.633 2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.072 -1.959 1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.876 -3.022 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.590 -3.161 3.852 1.00 0.00 H new ATOM 726 N ASN A 45 13.980 -4.973 -0.435 1.00 0.00 N ATOM 727 CA ASN A 45 13.395 -6.300 -0.596 1.00 0.00 C ATOM 728 C ASN A 45 13.328 -6.677 -2.073 1.00 0.00 C ATOM 729 O ASN A 45 13.400 -7.852 -2.431 1.00 0.00 O ATOM 730 CB ASN A 45 11.981 -6.341 -0.013 1.00 0.00 C ATOM 731 CG ASN A 45 12.015 -5.885 1.441 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.641 -4.670 1.737 1.00 0.00 O flip ATOM 733 ND2 ASN A 45 12.391 -6.648 2.331 1.00 0.00 N flip ATOM 0 H ASN A 45 13.332 -4.200 -0.585 1.00 0.00 H new ATOM 0 HA ASN A 45 14.028 -7.010 -0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.319 -5.696 -0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.579 -7.352 -0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.683 -7.597 2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.410 -6.331 3.300 1.00 0.00 H new ATOM 740 N ASN A 46 13.181 -5.665 -2.929 1.00 0.00 N ATOM 741 CA ASN A 46 13.095 -5.902 -4.369 1.00 0.00 C ATOM 742 C ASN A 46 11.873 -6.762 -4.682 1.00 0.00 C ATOM 743 O ASN A 46 11.983 -7.870 -5.211 1.00 0.00 O ATOM 744 CB ASN A 46 14.361 -6.602 -4.878 1.00 0.00 C ATOM 745 CG ASN A 46 14.662 -6.139 -6.299 1.00 0.00 C ATOM 746 OD1 ASN A 46 13.980 -6.533 -7.245 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.655 -5.316 -6.508 1.00 0.00 N ATOM 0 H ASN A 46 13.120 -4.685 -2.654 1.00 0.00 H new ATOM 0 HA ASN A 46 13.001 -4.940 -4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.203 -6.375 -4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.225 -7.683 -4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.865 -5.000 -7.455 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.220 -4.989 -5.724 1.00 0.00 H new ATOM 754 N ARG A 47 10.700 -6.237 -4.339 1.00 0.00 N ATOM 755 CA ARG A 47 9.453 -6.962 -4.577 1.00 0.00 C ATOM 756 C ARG A 47 8.263 -6.010 -4.487 1.00 0.00 C ATOM 757 O ARG A 47 8.397 -4.871 -4.046 1.00 0.00 O ATOM 758 CB ARG A 47 9.286 -8.091 -3.545 1.00 0.00 C ATOM 759 CG ARG A 47 9.281 -9.450 -4.252 1.00 0.00 C ATOM 760 CD ARG A 47 8.919 -10.545 -3.247 1.00 0.00 C ATOM 761 NE ARG A 47 7.492 -10.511 -2.939 1.00 0.00 N ATOM 762 CZ ARG A 47 7.064 -10.325 -1.693 1.00 0.00 C ATOM 763 NH1 ARG A 47 7.698 -10.879 -0.695 1.00 0.00 N ATOM 764 NH2 ARG A 47 6.010 -9.589 -1.468 1.00 0.00 N ATOM 0 H ARG A 47 10.585 -5.323 -3.900 1.00 0.00 H new ATOM 0 HA ARG A 47 9.492 -7.394 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.097 -8.053 -2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.356 -7.956 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.563 -9.443 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.260 -9.650 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.185 -11.521 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.497 -10.412 -2.332 1.00 0.00 H new ATOM 0 HE ARG A 47 6.813 -10.632 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.522 -11.455 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.370 -10.736 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.514 -9.156 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.682 -9.446 -0.513 1.00 0.00 H new ATOM 778 N GLN A 48 7.098 -6.493 -4.914 1.00 0.00 N ATOM 779 CA GLN A 48 5.888 -5.677 -4.884 1.00 0.00 C ATOM 780 C GLN A 48 5.095 -5.930 -3.602 1.00 0.00 C ATOM 781 O GLN A 48 4.946 -7.072 -3.167 1.00 0.00 O ATOM 782 CB GLN A 48 5.000 -5.997 -6.091 1.00 0.00 C ATOM 783 CG GLN A 48 3.830 -5.011 -6.151 1.00 0.00 C ATOM 784 CD GLN A 48 2.608 -5.705 -6.741 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.660 -6.226 -7.856 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.501 -5.746 -6.053 1.00 0.00 N ATOM 0 H GLN A 48 6.967 -7.436 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 48 6.190 -4.630 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.584 -5.938 -7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.624 -7.017 -6.017 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.603 -4.639 -5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.100 -4.147 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.458 -5.315 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.678 -6.210 -6.438 1.00 0.00 H new ATOM 795 N VAL A 49 4.584 -4.853 -2.998 1.00 0.00 N ATOM 796 CA VAL A 49 3.806 -4.994 -1.762 1.00 0.00 C ATOM 797 C VAL A 49 2.689 -3.961 -1.690 1.00 0.00 C ATOM 798 O VAL A 49 2.761 -2.899 -2.304 1.00 0.00 O ATOM 799 CB VAL A 49 4.696 -4.816 -0.528 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.599 -6.036 -0.365 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.556 -3.559 -0.689 1.00 0.00 C ATOM 0 H VAL A 49 4.690 -3.896 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 49 3.380 -5.997 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 49 4.067 -4.712 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.231 -5.906 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.986 -6.929 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.226 -6.145 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.188 -3.435 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.183 -3.658 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.910 -2.688 -0.797 1.00 0.00 H new ATOM 811 N CYS A 50 1.663 -4.277 -0.902 1.00 0.00 N ATOM 812 CA CYS A 50 0.541 -3.363 -0.719 1.00 0.00 C ATOM 813 C CYS A 50 0.824 -2.475 0.485 1.00 0.00 C ATOM 814 O CYS A 50 0.901 -2.956 1.615 1.00 0.00 O ATOM 815 CB CYS A 50 -0.756 -4.142 -0.472 1.00 0.00 C ATOM 816 SG CYS A 50 -1.030 -5.317 -1.825 1.00 0.00 S ATOM 0 H CYS A 50 1.587 -5.153 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 50 0.422 -2.762 -1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.697 -4.674 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.597 -3.453 -0.400 1.00 0.00 H new ATOM 821 N ILE A 51 1.000 -1.180 0.242 1.00 0.00 N ATOM 822 CA ILE A 51 1.298 -0.266 1.340 1.00 0.00 C ATOM 823 C ILE A 51 0.026 0.161 2.050 1.00 0.00 C ATOM 824 O ILE A 51 -1.060 0.171 1.472 1.00 0.00 O ATOM 825 CB ILE A 51 2.044 0.976 0.854 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.235 0.554 -0.008 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.557 1.750 2.070 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.927 1.796 -0.563 1.00 0.00 C ATOM 0 H ILE A 51 0.944 -0.748 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 51 1.938 -0.807 2.037 1.00 0.00 H new ATOM 0 HB ILE A 51 1.373 1.601 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.937 -0.032 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.898 -0.084 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.092 2.639 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.714 2.046 2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.231 1.117 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.776 1.496 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.222 2.364 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.278 2.416 0.262 1.00 0.00 H new ATOM 840 N ASP A 52 0.180 0.497 3.327 1.00 0.00 N ATOM 841 CA ASP A 52 -0.954 0.906 4.141 1.00 0.00 C ATOM 842 C ASP A 52 -1.329 2.364 3.846 1.00 0.00 C ATOM 843 O ASP A 52 -0.450 3.210 3.678 1.00 0.00 O ATOM 844 CB ASP A 52 -0.606 0.764 5.631 1.00 0.00 C ATOM 845 CG ASP A 52 -1.760 0.094 6.372 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.078 -1.036 6.036 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.308 0.720 7.264 1.00 0.00 O ATOM 0 H ASP A 52 1.075 0.494 3.816 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.801 0.264 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.303 0.174 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.406 1.745 6.062 1.00 0.00 H new ATOM 852 N PRO A 53 -2.632 2.685 3.787 1.00 0.00 N ATOM 853 CA PRO A 53 -3.089 4.064 3.514 1.00 0.00 C ATOM 854 C PRO A 53 -2.949 4.987 4.726 1.00 0.00 C ATOM 855 O PRO A 53 -3.067 6.207 4.606 1.00 0.00 O ATOM 856 CB PRO A 53 -4.554 3.874 3.145 1.00 0.00 C ATOM 857 CG PRO A 53 -5.002 2.568 3.777 1.00 0.00 C ATOM 858 CD PRO A 53 -3.747 1.721 3.991 1.00 0.00 C ATOM 0 HA PRO A 53 -2.495 4.545 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.155 4.706 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.679 3.842 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.509 2.752 4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.711 2.050 3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.723 1.286 4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.696 0.894 3.283 1.00 0.00 H new ATOM 866 N LYS A 54 -2.697 4.397 5.895 1.00 0.00 N ATOM 867 CA LYS A 54 -2.547 5.187 7.110 1.00 0.00 C ATOM 868 C LYS A 54 -1.073 5.382 7.471 1.00 0.00 C ATOM 869 O LYS A 54 -0.752 5.778 8.593 1.00 0.00 O ATOM 870 CB LYS A 54 -3.257 4.503 8.280 1.00 0.00 C ATOM 871 CG LYS A 54 -4.769 4.694 8.143 1.00 0.00 C ATOM 872 CD LYS A 54 -5.202 5.928 8.937 1.00 0.00 C ATOM 873 CE LYS A 54 -6.652 5.759 9.395 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.682 5.005 10.679 1.00 0.00 N ATOM 0 H LYS A 54 -2.594 3.390 6.023 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.996 6.162 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.014 3.441 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.911 4.923 9.225 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.038 4.811 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.292 3.811 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.551 6.065 9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.106 6.822 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.120 6.735 9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.225 5.228 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.667 4.890 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.250 4.069 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.149 5.529 11.402 1.00 0.00 H new ATOM 888 N LEU A 55 -0.171 5.115 6.520 1.00 0.00 N ATOM 889 CA LEU A 55 1.255 5.287 6.787 1.00 0.00 C ATOM 890 C LEU A 55 1.561 6.763 7.001 1.00 0.00 C ATOM 891 O LEU A 55 0.766 7.634 6.647 1.00 0.00 O ATOM 892 CB LEU A 55 2.094 4.739 5.632 1.00 0.00 C ATOM 893 CG LEU A 55 2.598 3.336 5.986 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.328 2.729 4.785 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.556 3.414 7.181 1.00 0.00 C ATOM 0 H LEU A 55 -0.398 4.787 5.581 1.00 0.00 H new ATOM 0 HA LEU A 55 1.511 4.730 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.497 4.703 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.937 5.401 5.435 1.00 0.00 H new ATOM 0 HG LEU A 55 1.746 2.708 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.684 1.731 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.644 2.663 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.176 3.360 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.911 2.414 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.405 4.048 6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.033 3.836 8.039 1.00 0.00 H new ATOM 907 N LYS A 56 2.707 7.038 7.612 1.00 0.00 N ATOM 908 CA LYS A 56 3.085 8.411 7.899 1.00 0.00 C ATOM 909 C LYS A 56 3.580 9.131 6.655 1.00 0.00 C ATOM 910 O LYS A 56 3.325 10.323 6.479 1.00 0.00 O ATOM 911 CB LYS A 56 4.161 8.470 8.989 1.00 0.00 C ATOM 912 CG LYS A 56 5.411 7.702 8.539 1.00 0.00 C ATOM 913 CD LYS A 56 6.456 8.685 8.002 1.00 0.00 C ATOM 914 CE LYS A 56 7.852 8.080 8.156 1.00 0.00 C ATOM 915 NZ LYS A 56 8.855 9.175 8.289 1.00 0.00 N ATOM 0 H LYS A 56 3.382 6.336 7.914 1.00 0.00 H new ATOM 0 HA LYS A 56 2.188 8.917 8.255 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.419 9.508 9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.776 8.042 9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.824 7.138 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.147 6.979 7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.258 8.906 6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.395 9.629 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.885 7.433 9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.088 7.459 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.805 8.765 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.829 9.775 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.632 9.750 9.126 1.00 0.00 H new ATOM 929 N TRP A 57 4.289 8.417 5.791 1.00 0.00 N ATOM 930 CA TRP A 57 4.792 9.043 4.579 1.00 0.00 C ATOM 931 C TRP A 57 3.752 8.977 3.472 1.00 0.00 C ATOM 932 O TRP A 57 3.697 9.852 2.608 1.00 0.00 O ATOM 933 CB TRP A 57 6.110 8.414 4.118 1.00 0.00 C ATOM 934 CG TRP A 57 5.939 6.973 3.756 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.966 5.932 4.624 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.741 6.398 2.436 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.826 4.756 3.907 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.678 4.995 2.558 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.617 6.960 1.155 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.503 4.175 1.450 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.433 6.135 0.031 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.378 4.743 0.180 1.00 0.00 C ATOM 0 H TRP A 57 4.524 7.431 5.902 1.00 0.00 H new ATOM 0 HA TRP A 57 4.992 10.089 4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.493 8.962 3.257 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.853 8.504 4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.078 6.007 5.696 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.832 3.826 4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.663 8.032 1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.464 3.102 1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.334 6.576 -0.950 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.239 4.111 -0.685 1.00 0.00 H new ATOM 953 N ILE A 58 2.914 7.942 3.506 1.00 0.00 N ATOM 954 CA ILE A 58 1.885 7.815 2.493 1.00 0.00 C ATOM 955 C ILE A 58 0.717 8.753 2.802 1.00 0.00 C ATOM 956 O ILE A 58 -0.071 9.062 1.913 1.00 0.00 O ATOM 957 CB ILE A 58 1.415 6.352 2.345 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.567 5.566 1.660 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.103 6.275 1.518 1.00 0.00 C ATOM 960 CD1 ILE A 58 2.051 4.432 0.757 1.00 0.00 C ATOM 0 H ILE A 58 2.930 7.201 4.207 1.00 0.00 H new ATOM 0 HA ILE A 58 2.312 8.109 1.534 1.00 0.00 H new ATOM 0 HB ILE A 58 1.192 5.917 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.169 6.254 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.222 5.148 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.209 5.235 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.678 6.845 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.274 6.691 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.896 3.915 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.472 3.727 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.418 4.850 -0.026 1.00 0.00 H new ATOM 972 N GLN A 59 0.600 9.219 4.051 1.00 0.00 N ATOM 973 CA GLN A 59 -0.488 10.127 4.372 1.00 0.00 C ATOM 974 C GLN A 59 -0.261 11.464 3.669 1.00 0.00 C ATOM 975 O GLN A 59 -1.211 12.153 3.298 1.00 0.00 O ATOM 976 CB GLN A 59 -0.635 10.340 5.884 1.00 0.00 C ATOM 977 CG GLN A 59 0.668 10.887 6.477 1.00 0.00 C ATOM 978 CD GLN A 59 0.362 12.054 7.413 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.496 11.947 8.289 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.021 13.172 7.279 1.00 0.00 N ATOM 0 H GLN A 59 1.224 8.989 4.825 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.416 9.676 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.451 11.034 6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.894 9.398 6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.189 10.099 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.332 11.215 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.732 13.261 6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.825 13.957 7.900 1.00 0.00 H new ATOM 989 N GLU A 60 1.012 11.811 3.460 1.00 0.00 N ATOM 990 CA GLU A 60 1.342 13.051 2.767 1.00 0.00 C ATOM 991 C GLU A 60 1.199 12.836 1.262 1.00 0.00 C ATOM 992 O GLU A 60 0.767 13.722 0.526 1.00 0.00 O ATOM 993 CB GLU A 60 2.778 13.480 3.084 1.00 0.00 C ATOM 994 CG GLU A 60 2.851 15.006 3.175 1.00 0.00 C ATOM 995 CD GLU A 60 4.307 15.438 3.304 1.00 0.00 C ATOM 996 OE1 GLU A 60 4.942 15.626 2.280 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.767 15.576 4.426 1.00 0.00 O ATOM 0 H GLU A 60 1.816 11.259 3.757 1.00 0.00 H new ATOM 0 HA GLU A 60 0.662 13.834 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.102 13.034 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.455 13.119 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.404 15.456 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.279 15.358 4.033 1.00 0.00 H new ATOM 1004 N TYR A 61 1.559 11.630 0.826 1.00 0.00 N ATOM 1005 CA TYR A 61 1.463 11.266 -0.584 1.00 0.00 C ATOM 1006 C TYR A 61 -0.009 11.198 -0.996 1.00 0.00 C ATOM 1007 O TYR A 61 -0.427 11.823 -1.970 1.00 0.00 O ATOM 1008 CB TYR A 61 2.167 9.901 -0.808 1.00 0.00 C ATOM 1009 CG TYR A 61 1.665 9.193 -2.053 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.615 9.862 -3.281 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.238 7.868 -1.959 1.00 0.00 C ATOM 1012 CE1 TYR A 61 1.136 9.198 -4.418 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.762 7.202 -3.090 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.709 7.865 -4.322 1.00 0.00 C ATOM 1015 OH TYR A 61 0.238 7.210 -5.441 1.00 0.00 O ATOM 0 H TYR A 61 1.919 10.890 1.429 1.00 0.00 H new ATOM 0 HA TYR A 61 1.956 12.018 -1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.242 10.058 -0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.004 9.263 0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.945 10.888 -3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.276 7.356 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.096 9.712 -5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.435 6.176 -3.015 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.015 6.294 -5.202 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.780 10.426 -0.241 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.200 10.272 -0.530 1.00 0.00 C ATOM 1027 C LEU A 62 -2.910 11.621 -0.441 1.00 0.00 C ATOM 1028 O LEU A 62 -3.917 11.854 -1.111 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.833 9.293 0.467 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.812 8.350 -0.250 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.919 9.161 -0.932 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -3.063 7.524 -1.301 1.00 0.00 C ATOM 0 H LEU A 62 -0.450 9.901 0.569 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.308 9.880 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.053 8.711 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.357 9.847 1.246 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.259 7.681 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.608 8.484 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.462 9.738 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.476 9.839 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.762 6.857 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.607 8.192 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.286 6.934 -0.814 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.369 12.507 0.391 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.956 13.834 0.556 1.00 0.00 C ATOM 1046 C GLU A 63 -2.832 14.630 -0.740 1.00 0.00 C ATOM 1047 O GLU A 63 -3.757 15.335 -1.144 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.251 14.597 1.682 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.982 15.916 1.950 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.596 16.443 3.327 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.430 16.741 3.520 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -3.474 16.540 4.169 1.00 0.00 O ATOM 0 H GLU A 63 -1.537 12.334 0.955 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.009 13.710 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.231 13.991 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.215 14.794 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.725 16.648 1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.060 15.764 1.897 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.676 14.508 -1.388 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.436 15.218 -2.641 1.00 0.00 C ATOM 1061 C LYS A 64 -1.984 14.424 -3.826 1.00 0.00 C ATOM 1062 O LYS A 64 -2.376 14.995 -4.844 1.00 0.00 O ATOM 1063 CB LYS A 64 0.062 15.460 -2.845 1.00 0.00 C ATOM 1064 CG LYS A 64 0.815 14.126 -2.797 1.00 0.00 C ATOM 1065 CD LYS A 64 2.234 14.320 -3.338 1.00 0.00 C ATOM 1066 CE LYS A 64 3.157 14.766 -2.202 1.00 0.00 C ATOM 1067 NZ LYS A 64 4.546 14.299 -2.478 1.00 0.00 N ATOM 0 H LYS A 64 -0.898 13.930 -1.070 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.951 16.177 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.233 15.950 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.440 16.129 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.853 13.754 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.288 13.377 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.599 13.390 -3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.233 15.065 -4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.139 15.852 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.807 14.359 -1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.174 14.602 -1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.556 13.261 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.878 14.708 -3.375 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.004 13.100 -3.685 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.504 12.239 -4.754 1.00 0.00 C ATOM 1083 C ALA A 65 -3.999 12.456 -4.962 1.00 0.00 C ATOM 1084 O ALA A 65 -4.504 12.372 -6.082 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.256 10.768 -4.416 1.00 0.00 C ATOM 0 H ALA A 65 -1.684 12.605 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.971 12.497 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.635 10.140 -5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.186 10.598 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.770 10.516 -3.489 1.00 0.00 H new