USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 11:sc= 0.696 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 48 SER OG : rot 180:sc= -0.742 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.703 K(o=0.7,f=-5!) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.622 (180deg=0.373) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 40:sc= 0.852 USER MOD Single : A 68 THR OG1 : rot 75:sc= 0.701 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0449) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.14) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.651 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 80 LYS NZ :NH3+ 140:sc= 0.898 (180deg=-0.222) USER MOD Single : A 84 SER OG : rot 85:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 200 N LYS A 27 8.184 6.106 0.379 1.00 0.00 N ATOM 201 CA LYS A 27 7.357 6.944 -0.480 1.00 0.00 C ATOM 202 C LYS A 27 6.156 6.163 -0.996 1.00 0.00 C ATOM 203 O LYS A 27 5.053 6.697 -1.078 1.00 0.00 O ATOM 204 CB LYS A 27 8.169 7.517 -1.651 1.00 0.00 C ATOM 205 CG LYS A 27 8.601 6.481 -2.676 1.00 0.00 C ATOM 206 CD LYS A 27 9.501 7.077 -3.745 1.00 0.00 C ATOM 207 CE LYS A 27 8.768 8.101 -4.596 1.00 0.00 C ATOM 208 NZ LYS A 27 9.645 8.669 -5.651 1.00 0.00 N ATOM 0 HA LYS A 27 6.997 7.781 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.574 8.281 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.056 8.012 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.126 5.669 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.719 6.047 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.363 7.548 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.883 6.281 -4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.898 7.634 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.398 8.905 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.110 9.363 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.462 9.137 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.978 7.906 -6.274 1.00 0.00 H new ATOM 222 N ARG A 28 6.367 4.888 -1.315 1.00 0.00 N ATOM 223 CA ARG A 28 5.291 4.044 -1.815 1.00 0.00 C ATOM 224 C ARG A 28 4.210 3.869 -0.756 1.00 0.00 C ATOM 225 O ARG A 28 3.020 3.993 -1.046 1.00 0.00 O ATOM 226 CB ARG A 28 5.822 2.678 -2.255 1.00 0.00 C ATOM 227 CG ARG A 28 6.750 2.736 -3.455 1.00 0.00 C ATOM 228 CD ARG A 28 6.962 1.361 -4.074 1.00 0.00 C ATOM 229 NE ARG A 28 7.519 0.389 -3.130 1.00 0.00 N ATOM 230 CZ ARG A 28 7.960 -0.819 -3.488 1.00 0.00 C ATOM 231 NH1 ARG A 28 7.881 -1.207 -4.755 1.00 0.00 N ATOM 232 NH2 ARG A 28 8.462 -1.646 -2.580 1.00 0.00 N ATOM 0 H ARG A 28 7.270 4.421 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 28 4.856 4.539 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.352 2.219 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.978 2.030 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.335 3.411 -4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.712 3.150 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.010 0.988 -4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.631 1.453 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 28 7.573 0.650 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.483 -0.582 -5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.218 -2.130 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.513 -1.360 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.797 -2.568 -2.860 1.00 0.00 H new ATOM 246 N VAL A 29 4.630 3.598 0.473 1.00 0.00 N ATOM 247 CA VAL A 29 3.697 3.469 1.582 1.00 0.00 C ATOM 248 C VAL A 29 2.993 4.800 1.844 1.00 0.00 C ATOM 249 O VAL A 29 1.785 4.837 2.065 1.00 0.00 O ATOM 250 CB VAL A 29 4.406 2.980 2.866 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.451 2.967 4.051 1.00 0.00 C ATOM 252 CG2 VAL A 29 4.994 1.594 2.648 1.00 0.00 C ATOM 0 H VAL A 29 5.609 3.464 0.726 1.00 0.00 H new ATOM 0 HA VAL A 29 2.954 2.721 1.303 1.00 0.00 H new ATOM 0 HB VAL A 29 5.214 3.677 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.978 2.619 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.073 3.975 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.617 2.298 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.490 1.262 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.196 0.896 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.718 1.630 1.834 1.00 0.00 H new ATOM 262 N SER A 30 3.746 5.891 1.781 1.00 0.00 N ATOM 263 CA SER A 30 3.188 7.221 1.999 1.00 0.00 C ATOM 264 C SER A 30 2.127 7.556 0.949 1.00 0.00 C ATOM 265 O SER A 30 1.064 8.086 1.283 1.00 0.00 O ATOM 266 CB SER A 30 4.302 8.267 1.989 1.00 0.00 C ATOM 267 OG SER A 30 5.251 8.000 3.011 1.00 0.00 O ATOM 0 H SER A 30 4.746 5.882 1.580 1.00 0.00 H new ATOM 0 HA SER A 30 2.704 7.231 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.797 8.269 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.876 9.260 2.132 1.00 0.00 H new ATOM 0 HG SER A 30 5.957 8.679 2.987 1.00 0.00 H new ATOM 273 N ASN A 31 2.413 7.226 -0.310 1.00 0.00 N ATOM 274 CA ASN A 31 1.460 7.428 -1.399 1.00 0.00 C ATOM 275 C ASN A 31 0.200 6.606 -1.169 1.00 0.00 C ATOM 276 O ASN A 31 -0.906 7.026 -1.510 1.00 0.00 O ATOM 277 CB ASN A 31 2.081 7.049 -2.748 1.00 0.00 C ATOM 278 CG ASN A 31 3.144 8.028 -3.210 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.097 9.218 -2.890 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.107 7.541 -3.976 1.00 0.00 N ATOM 0 H ASN A 31 3.301 6.816 -0.601 1.00 0.00 H new ATOM 0 HA ASN A 31 1.198 8.486 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.520 6.054 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.294 6.994 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.843 8.156 -4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.113 6.551 -4.220 1.00 0.00 H new ATOM 287 N ALA A 32 0.379 5.426 -0.603 1.00 0.00 N ATOM 288 CA ALA A 32 -0.732 4.537 -0.308 1.00 0.00 C ATOM 289 C ALA A 32 -1.556 5.054 0.861 1.00 0.00 C ATOM 290 O ALA A 32 -2.780 5.084 0.794 1.00 0.00 O ATOM 291 CB ALA A 32 -0.221 3.138 -0.027 1.00 0.00 C ATOM 0 H ALA A 32 1.292 5.058 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.383 4.504 -1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.062 2.481 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.314 2.764 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.454 3.162 0.829 1.00 0.00 H new ATOM 297 N VAL A 33 -0.878 5.489 1.917 1.00 0.00 N ATOM 298 CA VAL A 33 -1.555 6.000 3.105 1.00 0.00 C ATOM 299 C VAL A 33 -2.402 7.220 2.755 1.00 0.00 C ATOM 300 O VAL A 33 -3.552 7.334 3.181 1.00 0.00 O ATOM 301 CB VAL A 33 -0.540 6.374 4.215 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.231 7.059 5.387 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.203 5.136 4.693 1.00 0.00 C ATOM 0 H VAL A 33 0.140 5.498 1.976 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.202 5.207 3.480 1.00 0.00 H new ATOM 0 HB VAL A 33 0.178 7.075 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.493 7.309 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.717 7.971 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.978 6.388 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.912 5.415 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.510 4.415 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.741 4.689 3.857 1.00 0.00 H new ATOM 313 N GLU A 34 -1.840 8.107 1.947 1.00 0.00 N ATOM 314 CA GLU A 34 -2.537 9.319 1.551 1.00 0.00 C ATOM 315 C GLU A 34 -3.724 8.989 0.641 1.00 0.00 C ATOM 316 O GLU A 34 -4.772 9.629 0.722 1.00 0.00 O ATOM 317 CB GLU A 34 -1.572 10.288 0.856 1.00 0.00 C ATOM 318 CG GLU A 34 -1.049 9.793 -0.475 1.00 0.00 C ATOM 319 CD GLU A 34 -0.186 10.810 -1.184 1.00 0.00 C ATOM 320 OE1 GLU A 34 0.927 11.096 -0.701 1.00 0.00 O ATOM 321 OE2 GLU A 34 -0.615 11.318 -2.241 1.00 0.00 O ATOM 0 H GLU A 34 -0.904 8.009 1.554 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.923 9.803 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.079 11.241 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.727 10.479 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.472 8.882 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.891 9.530 -1.115 1.00 0.00 H new ATOM 328 N PHE A 35 -3.557 7.979 -0.208 1.00 0.00 N ATOM 329 CA PHE A 35 -4.612 7.563 -1.125 1.00 0.00 C ATOM 330 C PHE A 35 -5.735 6.860 -0.369 1.00 0.00 C ATOM 331 O PHE A 35 -6.908 7.144 -0.580 1.00 0.00 O ATOM 332 CB PHE A 35 -4.033 6.636 -2.198 1.00 0.00 C ATOM 333 CG PHE A 35 -5.050 6.090 -3.164 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.522 6.867 -4.208 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.525 4.795 -3.030 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.452 6.364 -5.100 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.454 4.286 -3.918 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.919 5.072 -4.953 1.00 0.00 C ATOM 0 H PHE A 35 -2.699 7.433 -0.279 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.026 8.449 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.273 7.180 -2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.531 5.802 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.160 7.877 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.165 4.176 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.813 6.980 -5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.815 3.275 -3.802 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.647 4.678 -5.647 1.00 0.00 H new ATOM 348 N LEU A 36 -5.361 5.974 0.545 1.00 0.00 N ATOM 349 CA LEU A 36 -6.325 5.213 1.330 1.00 0.00 C ATOM 350 C LEU A 36 -7.181 6.125 2.199 1.00 0.00 C ATOM 351 O LEU A 36 -8.345 5.828 2.471 1.00 0.00 O ATOM 352 CB LEU A 36 -5.600 4.191 2.195 1.00 0.00 C ATOM 353 CG LEU A 36 -4.942 3.040 1.433 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.175 2.142 2.388 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.983 2.240 0.670 1.00 0.00 C ATOM 0 H LEU A 36 -4.387 5.763 0.762 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.989 4.694 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.834 4.707 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.311 3.774 2.908 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.239 3.461 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.713 1.328 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.401 2.722 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.860 1.731 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.495 1.426 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.711 1.829 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.491 2.890 -0.042 1.00 0.00 H new ATOM 367 N LEU A 37 -6.606 7.235 2.629 1.00 0.00 N ATOM 368 CA LEU A 37 -7.295 8.145 3.529 1.00 0.00 C ATOM 369 C LEU A 37 -8.168 9.143 2.783 1.00 0.00 C ATOM 370 O LEU A 37 -8.793 10.007 3.402 1.00 0.00 O ATOM 371 CB LEU A 37 -6.287 8.891 4.400 1.00 0.00 C ATOM 372 CG LEU A 37 -5.884 8.164 5.679 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.869 8.979 6.467 1.00 0.00 C ATOM 374 CD2 LEU A 37 -7.119 7.886 6.519 1.00 0.00 C ATOM 0 H LEU A 37 -5.664 7.528 2.370 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.949 7.540 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.391 9.083 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.707 9.861 4.667 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.415 7.216 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.596 8.441 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.979 9.138 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.304 9.943 6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.829 7.367 7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.604 8.828 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.812 7.264 5.952 1.00 0.00 H new ATOM 386 N ASP A 38 -8.238 9.018 1.469 1.00 0.00 N ATOM 387 CA ASP A 38 -9.070 9.912 0.683 1.00 0.00 C ATOM 388 C ASP A 38 -10.526 9.481 0.770 1.00 0.00 C ATOM 389 O ASP A 38 -10.823 8.292 0.707 1.00 0.00 O ATOM 390 CB ASP A 38 -8.631 9.933 -0.779 1.00 0.00 C ATOM 391 CG ASP A 38 -9.318 11.027 -1.572 1.00 0.00 C ATOM 392 OD1 ASP A 38 -8.703 12.092 -1.787 1.00 0.00 O ATOM 393 OD2 ASP A 38 -10.478 10.830 -1.990 1.00 0.00 O ATOM 0 H ASP A 38 -7.735 8.314 0.929 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.960 10.917 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.551 10.074 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.848 8.967 -1.235 1.00 0.00 H new ATOM 398 N SER A 39 -11.424 10.444 0.909 1.00 0.00 N ATOM 399 CA SER A 39 -12.846 10.164 1.069 1.00 0.00 C ATOM 400 C SER A 39 -13.412 9.339 -0.091 1.00 0.00 C ATOM 401 O SER A 39 -14.236 8.451 0.123 1.00 0.00 O ATOM 402 CB SER A 39 -13.617 11.474 1.212 1.00 0.00 C ATOM 403 OG SER A 39 -13.141 12.217 2.324 1.00 0.00 O ATOM 0 H SER A 39 -11.191 11.437 0.914 1.00 0.00 H new ATOM 0 HA SER A 39 -12.964 9.566 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 39 -13.512 12.065 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.680 11.265 1.336 1.00 0.00 H new ATOM 0 HG SER A 39 -13.646 13.054 2.399 1.00 0.00 H new ATOM 409 N ARG A 40 -12.958 9.612 -1.313 1.00 0.00 N ATOM 410 CA ARG A 40 -13.454 8.895 -2.478 1.00 0.00 C ATOM 411 C ARG A 40 -12.979 7.446 -2.421 1.00 0.00 C ATOM 412 O ARG A 40 -13.675 6.526 -2.853 1.00 0.00 O ATOM 413 CB ARG A 40 -12.986 9.581 -3.772 1.00 0.00 C ATOM 414 CG ARG A 40 -11.750 8.953 -4.396 1.00 0.00 C ATOM 415 CD ARG A 40 -11.068 9.890 -5.375 1.00 0.00 C ATOM 416 NE ARG A 40 -10.258 10.884 -4.677 1.00 0.00 N ATOM 417 CZ ARG A 40 -9.397 11.706 -5.273 1.00 0.00 C ATOM 418 NH1 ARG A 40 -9.298 11.730 -6.597 1.00 0.00 N ATOM 419 NH2 ARG A 40 -8.638 12.506 -4.538 1.00 0.00 N ATOM 0 H ARG A 40 -12.253 10.320 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.544 8.907 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.799 9.556 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.780 10.630 -3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.048 8.677 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.031 8.034 -4.910 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.438 9.315 -6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.819 10.392 -5.985 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.359 10.953 -3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.884 11.116 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.636 12.362 -7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.715 12.490 -3.521 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.977 13.138 -4.989 1.00 0.00 H new ATOM 433 N VAL A 41 -11.789 7.264 -1.858 1.00 0.00 N ATOM 434 CA VAL A 41 -11.189 5.948 -1.715 1.00 0.00 C ATOM 435 C VAL A 41 -11.797 5.217 -0.522 1.00 0.00 C ATOM 436 O VAL A 41 -11.920 3.992 -0.521 1.00 0.00 O ATOM 437 CB VAL A 41 -9.659 6.052 -1.557 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.028 4.676 -1.398 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.066 6.779 -2.753 1.00 0.00 C ATOM 0 H VAL A 41 -11.217 8.024 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.398 5.379 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.443 6.620 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.949 4.781 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.437 4.188 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.246 4.072 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.985 6.850 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.297 6.228 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.490 7.781 -2.817 1.00 0.00 H new ATOM 449 N ARG A 42 -12.195 5.973 0.490 1.00 0.00 N ATOM 450 CA ARG A 42 -12.925 5.401 1.615 1.00 0.00 C ATOM 451 C ARG A 42 -14.243 4.810 1.124 1.00 0.00 C ATOM 452 O ARG A 42 -14.785 3.876 1.718 1.00 0.00 O ATOM 453 CB ARG A 42 -13.208 6.456 2.689 1.00 0.00 C ATOM 454 CG ARG A 42 -11.969 7.136 3.242 1.00 0.00 C ATOM 455 CD ARG A 42 -12.335 8.162 4.300 1.00 0.00 C ATOM 456 NE ARG A 42 -11.210 9.034 4.636 1.00 0.00 N ATOM 457 CZ ARG A 42 -11.158 9.804 5.722 1.00 0.00 C ATOM 458 NH1 ARG A 42 -12.157 9.798 6.596 1.00 0.00 N ATOM 459 NH2 ARG A 42 -10.107 10.582 5.931 1.00 0.00 N ATOM 0 H ARG A 42 -12.027 6.977 0.557 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.307 4.619 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.868 7.216 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.746 5.985 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.301 6.389 3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.425 7.622 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.168 8.768 3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.676 7.649 5.199 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.414 9.054 3.998 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.969 9.202 6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.112 10.389 7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.338 10.591 5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.066 11.172 6.762 1.00 0.00 H new ATOM 473 N ARG A 43 -14.741 5.361 0.022 1.00 0.00 N ATOM 474 CA ARG A 43 -16.001 4.925 -0.558 1.00 0.00 C ATOM 475 C ARG A 43 -15.804 3.729 -1.496 1.00 0.00 C ATOM 476 O ARG A 43 -16.752 2.995 -1.779 1.00 0.00 O ATOM 477 CB ARG A 43 -16.658 6.094 -1.308 1.00 0.00 C ATOM 478 CG ARG A 43 -17.996 5.763 -1.968 1.00 0.00 C ATOM 479 CD ARG A 43 -19.068 5.379 -0.953 1.00 0.00 C ATOM 480 NE ARG A 43 -18.797 4.089 -0.321 1.00 0.00 N ATOM 481 CZ ARG A 43 -19.454 3.619 0.734 1.00 0.00 C ATOM 482 NH1 ARG A 43 -20.481 4.294 1.235 1.00 0.00 N ATOM 483 NH2 ARG A 43 -19.089 2.464 1.279 1.00 0.00 N ATOM 0 H ARG A 43 -14.285 6.117 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.656 4.602 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.808 6.917 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.969 6.448 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.337 6.624 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.857 4.943 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -19.132 6.151 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -20.038 5.342 -1.449 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.055 3.512 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -20.768 5.176 0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.984 3.931 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.306 1.940 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.592 2.101 2.089 1.00 0.00 H new ATOM 497 N THR A 44 -14.583 3.510 -1.959 1.00 0.00 N ATOM 498 CA THR A 44 -14.309 2.379 -2.827 1.00 0.00 C ATOM 499 C THR A 44 -14.098 1.110 -2.008 1.00 0.00 C ATOM 500 O THR A 44 -13.759 1.180 -0.828 1.00 0.00 O ATOM 501 CB THR A 44 -13.078 2.632 -3.720 1.00 0.00 C ATOM 502 OG1 THR A 44 -11.986 3.141 -2.949 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.407 3.605 -4.842 1.00 0.00 C ATOM 0 H THR A 44 -13.774 4.095 -1.750 1.00 0.00 H new ATOM 0 HA THR A 44 -15.178 2.250 -3.472 1.00 0.00 H new ATOM 0 HB THR A 44 -12.789 1.676 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.190 3.052 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.521 3.765 -5.456 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.206 3.193 -5.458 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.730 4.555 -4.417 1.00 0.00 H new ATOM 511 N PRO A 45 -14.339 -0.066 -2.608 1.00 0.00 N ATOM 512 CA PRO A 45 -14.075 -1.348 -1.956 1.00 0.00 C ATOM 513 C PRO A 45 -12.582 -1.573 -1.733 1.00 0.00 C ATOM 514 O PRO A 45 -11.746 -0.989 -2.431 1.00 0.00 O ATOM 515 CB PRO A 45 -14.630 -2.381 -2.941 1.00 0.00 C ATOM 516 CG PRO A 45 -14.649 -1.687 -4.257 1.00 0.00 C ATOM 517 CD PRO A 45 -14.903 -0.237 -3.958 1.00 0.00 C ATOM 0 HA PRO A 45 -14.531 -1.405 -0.968 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.003 -3.272 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.630 -2.705 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.702 -1.817 -4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.428 -2.095 -4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.416 0.415 -4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.967 -0.002 -3.982 1.00 0.00 H new ATOM 525 N THR A 46 -12.253 -2.426 -0.771 1.00 0.00 N ATOM 526 CA THR A 46 -10.866 -2.702 -0.425 1.00 0.00 C ATOM 527 C THR A 46 -10.107 -3.261 -1.625 1.00 0.00 C ATOM 528 O THR A 46 -8.928 -2.966 -1.821 1.00 0.00 O ATOM 529 CB THR A 46 -10.786 -3.712 0.728 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.957 -3.601 1.549 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.549 -3.473 1.580 1.00 0.00 C ATOM 0 H THR A 46 -12.934 -2.942 -0.213 1.00 0.00 H new ATOM 0 HA THR A 46 -10.411 -1.760 -0.117 1.00 0.00 H new ATOM 0 HB THR A 46 -10.724 -4.713 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.904 -4.248 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.518 -4.203 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.657 -3.577 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.585 -2.468 1.999 1.00 0.00 H new ATOM 539 N SER A 47 -10.805 -4.047 -2.436 1.00 0.00 N ATOM 540 CA SER A 47 -10.218 -4.661 -3.615 1.00 0.00 C ATOM 541 C SER A 47 -9.664 -3.607 -4.569 1.00 0.00 C ATOM 542 O SER A 47 -8.552 -3.746 -5.082 1.00 0.00 O ATOM 543 CB SER A 47 -11.275 -5.513 -4.317 1.00 0.00 C ATOM 544 OG SER A 47 -12.520 -4.835 -4.352 1.00 0.00 O ATOM 0 H SER A 47 -11.789 -4.274 -2.294 1.00 0.00 H new ATOM 0 HA SER A 47 -9.386 -5.293 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.950 -5.741 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.387 -6.464 -3.797 1.00 0.00 H new ATOM 0 HG SER A 47 -13.184 -5.394 -4.806 1.00 0.00 H new ATOM 550 N SER A 48 -10.427 -2.543 -4.774 1.00 0.00 N ATOM 551 CA SER A 48 -10.016 -1.460 -5.640 1.00 0.00 C ATOM 552 C SER A 48 -8.795 -0.747 -5.074 1.00 0.00 C ATOM 553 O SER A 48 -7.842 -0.461 -5.800 1.00 0.00 O ATOM 554 CB SER A 48 -11.163 -0.477 -5.793 1.00 0.00 C ATOM 555 OG SER A 48 -12.284 -1.089 -6.410 1.00 0.00 O ATOM 0 H SER A 48 -11.343 -2.411 -4.345 1.00 0.00 H new ATOM 0 HA SER A 48 -9.750 -1.871 -6.614 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.449 -0.092 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.837 0.376 -6.388 1.00 0.00 H new ATOM 0 HG SER A 48 -13.009 -0.435 -6.495 1.00 0.00 H new ATOM 561 N LYS A 49 -8.829 -0.484 -3.771 1.00 0.00 N ATOM 562 CA LYS A 49 -7.738 0.208 -3.096 1.00 0.00 C ATOM 563 C LYS A 49 -6.435 -0.551 -3.294 1.00 0.00 C ATOM 564 O LYS A 49 -5.424 0.018 -3.703 1.00 0.00 O ATOM 565 CB LYS A 49 -8.022 0.325 -1.597 1.00 0.00 C ATOM 566 CG LYS A 49 -9.392 0.884 -1.265 1.00 0.00 C ATOM 567 CD LYS A 49 -9.617 0.941 0.238 1.00 0.00 C ATOM 568 CE LYS A 49 -11.070 1.228 0.565 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.314 1.329 2.029 1.00 0.00 N ATOM 0 H LYS A 49 -9.604 -0.741 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.652 1.206 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.924 -0.661 -1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.263 0.962 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.491 1.884 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.161 0.265 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.320 -0.006 0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.984 1.714 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.370 2.159 0.085 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.696 0.438 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.321 1.526 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.054 0.432 2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.738 2.100 2.425 1.00 0.00 H new ATOM 583 N VAL A 50 -6.484 -1.849 -3.030 1.00 0.00 N ATOM 584 CA VAL A 50 -5.294 -2.688 -3.101 1.00 0.00 C ATOM 585 C VAL A 50 -4.782 -2.792 -4.537 1.00 0.00 C ATOM 586 O VAL A 50 -3.579 -2.706 -4.786 1.00 0.00 O ATOM 587 CB VAL A 50 -5.563 -4.104 -2.545 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.315 -4.968 -2.630 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.053 -4.031 -1.107 1.00 0.00 C ATOM 0 H VAL A 50 -7.335 -2.345 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.532 -2.212 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.340 -4.562 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.531 -5.960 -2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.003 -5.055 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.515 -4.510 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.237 -5.038 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.297 -3.547 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.977 -3.455 -1.066 1.00 0.00 H new ATOM 599 N HIS A 51 -5.703 -2.961 -5.478 1.00 0.00 N ATOM 600 CA HIS A 51 -5.339 -3.103 -6.885 1.00 0.00 C ATOM 601 C HIS A 51 -4.697 -1.829 -7.418 1.00 0.00 C ATOM 602 O HIS A 51 -3.698 -1.883 -8.135 1.00 0.00 O ATOM 603 CB HIS A 51 -6.560 -3.471 -7.731 1.00 0.00 C ATOM 604 CG HIS A 51 -7.010 -4.889 -7.555 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.858 -5.526 -8.434 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.728 -5.797 -6.591 1.00 0.00 C ATOM 607 CE1 HIS A 51 -8.076 -6.758 -8.018 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.402 -6.947 -6.905 1.00 0.00 N ATOM 0 H HIS A 51 -6.705 -3.003 -5.294 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.610 -3.911 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.383 -2.804 -7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.327 -3.301 -8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.090 -5.643 -5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.702 -7.488 -8.509 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.384 -7.811 -6.363 1.00 0.00 H new ATOM 617 N PHE A 52 -5.263 -0.685 -7.056 1.00 0.00 N ATOM 618 CA PHE A 52 -4.742 0.595 -7.514 1.00 0.00 C ATOM 619 C PHE A 52 -3.355 0.844 -6.931 1.00 0.00 C ATOM 620 O PHE A 52 -2.456 1.311 -7.628 1.00 0.00 O ATOM 621 CB PHE A 52 -5.690 1.733 -7.129 1.00 0.00 C ATOM 622 CG PHE A 52 -5.320 3.054 -7.741 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.514 3.951 -7.060 1.00 0.00 C ATOM 624 CD2 PHE A 52 -5.781 3.399 -9.001 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.174 5.166 -7.623 1.00 0.00 C ATOM 626 CE2 PHE A 52 -5.445 4.611 -9.570 1.00 0.00 C ATOM 627 CZ PHE A 52 -4.641 5.496 -8.880 1.00 0.00 C ATOM 0 H PHE A 52 -6.080 -0.618 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.664 0.563 -8.601 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.703 1.471 -7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.701 1.835 -6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.147 3.698 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.411 2.711 -9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.544 5.856 -7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.811 4.866 -10.554 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.378 6.445 -9.323 1.00 0.00 H new ATOM 637 N LEU A 53 -3.183 0.519 -5.654 1.00 0.00 N ATOM 638 CA LEU A 53 -1.898 0.695 -4.988 1.00 0.00 C ATOM 639 C LEU A 53 -0.829 -0.180 -5.631 1.00 0.00 C ATOM 640 O LEU A 53 0.309 0.251 -5.821 1.00 0.00 O ATOM 641 CB LEU A 53 -2.013 0.379 -3.496 1.00 0.00 C ATOM 642 CG LEU A 53 -2.924 1.318 -2.703 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.940 0.925 -1.236 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.481 2.763 -2.869 1.00 0.00 C ATOM 0 H LEU A 53 -3.917 0.133 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.603 1.738 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.382 -0.641 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.016 0.408 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.937 1.228 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.592 1.602 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.310 -0.096 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.929 0.986 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.142 3.414 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.459 2.874 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.524 3.038 -3.923 1.00 0.00 H new ATOM 656 N LYS A 54 -1.199 -1.407 -5.976 1.00 0.00 N ATOM 657 CA LYS A 54 -0.306 -2.301 -6.679 1.00 0.00 C ATOM 658 C LYS A 54 0.086 -1.696 -8.026 1.00 0.00 C ATOM 659 O LYS A 54 1.249 -1.747 -8.433 1.00 0.00 O ATOM 660 CB LYS A 54 -0.989 -3.653 -6.876 1.00 0.00 C ATOM 661 CG LYS A 54 -0.096 -4.691 -7.520 1.00 0.00 C ATOM 662 CD LYS A 54 1.148 -4.939 -6.688 1.00 0.00 C ATOM 663 CE LYS A 54 2.126 -5.814 -7.434 1.00 0.00 C ATOM 664 NZ LYS A 54 3.421 -5.941 -6.719 1.00 0.00 N ATOM 0 H LYS A 54 -2.118 -1.802 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 54 0.600 -2.446 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.327 -4.025 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.877 -3.516 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.647 -5.624 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.191 -4.359 -8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.620 -3.989 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.873 -5.414 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.692 -6.804 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.300 -5.398 -8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.138 -6.327 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.725 -5.005 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.308 -6.580 -5.907 1.00 0.00 H new ATOM 678 N SER A 55 -0.892 -1.092 -8.690 1.00 0.00 N ATOM 679 CA SER A 55 -0.677 -0.434 -9.973 1.00 0.00 C ATOM 680 C SER A 55 0.208 0.806 -9.810 1.00 0.00 C ATOM 681 O SER A 55 0.816 1.279 -10.769 1.00 0.00 O ATOM 682 CB SER A 55 -2.030 -0.051 -10.584 1.00 0.00 C ATOM 683 OG SER A 55 -1.882 0.574 -11.849 1.00 0.00 O ATOM 0 H SER A 55 -1.854 -1.044 -8.355 1.00 0.00 H new ATOM 0 HA SER A 55 -0.163 -1.125 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.646 -0.944 -10.690 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.557 0.621 -9.907 1.00 0.00 H new ATOM 0 HG SER A 55 -2.766 0.802 -12.207 1.00 0.00 H new ATOM 689 N LYS A 56 0.285 1.317 -8.585 1.00 0.00 N ATOM 690 CA LYS A 56 1.119 2.469 -8.273 1.00 0.00 C ATOM 691 C LYS A 56 2.573 2.060 -8.075 1.00 0.00 C ATOM 692 O LYS A 56 3.411 2.877 -7.687 1.00 0.00 O ATOM 693 CB LYS A 56 0.603 3.158 -7.012 1.00 0.00 C ATOM 694 CG LYS A 56 -0.665 3.971 -7.221 1.00 0.00 C ATOM 695 CD LYS A 56 -0.429 5.178 -8.118 1.00 0.00 C ATOM 696 CE LYS A 56 0.567 6.151 -7.503 1.00 0.00 C ATOM 697 NZ LYS A 56 0.692 7.399 -8.302 1.00 0.00 N ATOM 0 H LYS A 56 -0.227 0.945 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 56 1.069 3.160 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.415 2.402 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.383 3.814 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.434 3.336 -7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.044 4.306 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.060 4.844 -9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.375 5.690 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.253 6.399 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.542 5.671 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.380 8.034 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.017 7.166 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.233 7.871 -8.355 1.00 0.00 H new ATOM 711 N GLY A 57 2.864 0.794 -8.327 1.00 0.00 N ATOM 712 CA GLY A 57 4.225 0.312 -8.233 1.00 0.00 C ATOM 713 C GLY A 57 4.552 -0.242 -6.863 1.00 0.00 C ATOM 714 O GLY A 57 5.719 -0.476 -6.544 1.00 0.00 O ATOM 0 H GLY A 57 2.178 0.089 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.385 -0.463 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.912 1.126 -8.465 1.00 0.00 H new ATOM 718 N LEU A 58 3.526 -0.452 -6.050 1.00 0.00 N ATOM 719 CA LEU A 58 3.715 -0.987 -4.710 1.00 0.00 C ATOM 720 C LEU A 58 3.819 -2.502 -4.717 1.00 0.00 C ATOM 721 O LEU A 58 3.577 -3.160 -5.731 1.00 0.00 O ATOM 722 CB LEU A 58 2.571 -0.580 -3.779 1.00 0.00 C ATOM 723 CG LEU A 58 2.771 0.731 -3.024 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.619 1.927 -3.949 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.803 0.817 -1.858 1.00 0.00 C ATOM 0 H LEU A 58 2.555 -0.260 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 58 4.651 -0.566 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.657 -0.504 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.417 -1.377 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 58 3.788 0.749 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.767 2.846 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.361 1.868 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.620 1.926 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.955 1.757 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.780 0.773 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.978 -0.017 -1.178 1.00 0.00 H new ATOM 737 N SER A 59 4.193 -3.035 -3.572 1.00 0.00 N ATOM 738 CA SER A 59 4.205 -4.464 -3.346 1.00 0.00 C ATOM 739 C SER A 59 3.225 -4.786 -2.224 1.00 0.00 C ATOM 740 O SER A 59 2.813 -3.887 -1.487 1.00 0.00 O ATOM 741 CB SER A 59 5.617 -4.920 -2.983 1.00 0.00 C ATOM 742 OG SER A 59 6.554 -4.470 -3.948 1.00 0.00 O ATOM 0 H SER A 59 4.499 -2.486 -2.769 1.00 0.00 H new ATOM 0 HA SER A 59 3.903 -4.993 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.887 -4.535 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.648 -6.008 -2.919 1.00 0.00 H new ATOM 0 HG SER A 59 7.452 -4.771 -3.697 1.00 0.00 H new ATOM 748 N ALA A 60 2.858 -6.052 -2.088 1.00 0.00 N ATOM 749 CA ALA A 60 1.857 -6.459 -1.109 1.00 0.00 C ATOM 750 C ALA A 60 2.263 -6.067 0.309 1.00 0.00 C ATOM 751 O ALA A 60 1.420 -5.688 1.123 1.00 0.00 O ATOM 752 CB ALA A 60 1.618 -7.958 -1.192 1.00 0.00 C ATOM 0 H ALA A 60 3.239 -6.818 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 60 0.931 -5.935 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.869 -8.248 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.265 -8.215 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.549 -8.487 -0.989 1.00 0.00 H new ATOM 758 N GLU A 61 3.555 -6.141 0.593 1.00 0.00 N ATOM 759 CA GLU A 61 4.067 -5.840 1.923 1.00 0.00 C ATOM 760 C GLU A 61 3.932 -4.350 2.229 1.00 0.00 C ATOM 761 O GLU A 61 3.628 -3.957 3.359 1.00 0.00 O ATOM 762 CB GLU A 61 5.536 -6.263 2.048 1.00 0.00 C ATOM 763 CG GLU A 61 5.797 -7.745 1.791 1.00 0.00 C ATOM 764 CD GLU A 61 5.647 -8.137 0.330 1.00 0.00 C ATOM 765 OE1 GLU A 61 5.151 -9.250 0.051 1.00 0.00 O ATOM 766 OE2 GLU A 61 6.006 -7.322 -0.549 1.00 0.00 O ATOM 0 H GLU A 61 4.271 -6.408 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 61 3.475 -6.404 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.130 -5.677 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.888 -6.014 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.805 -7.993 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.107 -8.338 2.392 1.00 0.00 H new ATOM 773 N GLU A 62 4.149 -3.529 1.209 1.00 0.00 N ATOM 774 CA GLU A 62 4.067 -2.080 1.350 1.00 0.00 C ATOM 775 C GLU A 62 2.619 -1.674 1.599 1.00 0.00 C ATOM 776 O GLU A 62 2.324 -0.854 2.469 1.00 0.00 O ATOM 777 CB GLU A 62 4.579 -1.382 0.084 1.00 0.00 C ATOM 778 CG GLU A 62 5.720 -2.106 -0.619 1.00 0.00 C ATOM 779 CD GLU A 62 6.984 -2.210 0.210 1.00 0.00 C ATOM 780 OE1 GLU A 62 7.874 -1.351 0.047 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.105 -3.166 1.002 1.00 0.00 O ATOM 0 H GLU A 62 4.385 -3.845 0.268 1.00 0.00 H new ATOM 0 HA GLU A 62 4.689 -1.778 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.750 -1.272 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.910 -0.377 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.390 -3.109 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.949 -1.586 -1.549 1.00 0.00 H new ATOM 788 N ILE A 63 1.723 -2.276 0.824 1.00 0.00 N ATOM 789 CA ILE A 63 0.292 -2.022 0.936 1.00 0.00 C ATOM 790 C ILE A 63 -0.218 -2.441 2.314 1.00 0.00 C ATOM 791 O ILE A 63 -1.012 -1.736 2.939 1.00 0.00 O ATOM 792 CB ILE A 63 -0.486 -2.785 -0.159 1.00 0.00 C ATOM 793 CG1 ILE A 63 0.023 -2.391 -1.549 1.00 0.00 C ATOM 794 CG2 ILE A 63 -1.980 -2.516 -0.047 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.564 -3.223 -2.670 1.00 0.00 C ATOM 0 H ILE A 63 1.968 -2.953 0.101 1.00 0.00 H new ATOM 0 HA ILE A 63 0.128 -0.952 0.804 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.318 -3.852 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.210 -1.341 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.109 -2.485 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.508 -3.063 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.336 -2.843 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.167 -1.448 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.158 -2.887 -3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.309 -4.272 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.648 -3.110 -2.678 1.00 0.00 H new ATOM 807 N CYS A 64 0.267 -3.587 2.782 1.00 0.00 N ATOM 808 CA CYS A 64 -0.100 -4.114 4.091 1.00 0.00 C ATOM 809 C CYS A 64 0.212 -3.105 5.194 1.00 0.00 C ATOM 810 O CYS A 64 -0.595 -2.898 6.106 1.00 0.00 O ATOM 811 CB CYS A 64 0.644 -5.429 4.353 1.00 0.00 C ATOM 812 SG CYS A 64 0.291 -6.184 5.956 1.00 0.00 S ATOM 0 H CYS A 64 0.923 -4.174 2.267 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.174 -4.302 4.096 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.388 -6.139 3.567 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.716 -5.246 4.280 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.975 -6.059 6.225 1.00 0.00 H new ATOM 818 N GLU A 65 1.378 -2.474 5.106 1.00 0.00 N ATOM 819 CA GLU A 65 1.771 -1.487 6.087 1.00 0.00 C ATOM 820 C GLU A 65 0.891 -0.246 5.979 1.00 0.00 C ATOM 821 O GLU A 65 0.347 0.217 6.979 1.00 0.00 O ATOM 822 CB GLU A 65 3.244 -1.117 5.919 1.00 0.00 C ATOM 823 CG GLU A 65 3.661 0.033 6.811 1.00 0.00 C ATOM 824 CD GLU A 65 5.157 0.270 6.834 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.614 1.277 6.258 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.881 -0.541 7.448 1.00 0.00 O ATOM 0 H GLU A 65 2.061 -2.632 4.365 1.00 0.00 H new ATOM 0 HA GLU A 65 1.638 -1.918 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.861 -1.987 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.432 -0.852 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.163 0.942 6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.317 -0.162 7.827 1.00 0.00 H new ATOM 833 N ALA A 66 0.720 0.255 4.756 1.00 0.00 N ATOM 834 CA ALA A 66 -0.056 1.468 4.515 1.00 0.00 C ATOM 835 C ALA A 66 -1.465 1.341 5.071 1.00 0.00 C ATOM 836 O ALA A 66 -1.963 2.259 5.723 1.00 0.00 O ATOM 837 CB ALA A 66 -0.118 1.776 3.028 1.00 0.00 C ATOM 0 H ALA A 66 1.112 -0.165 3.913 1.00 0.00 H new ATOM 0 HA ALA A 66 0.446 2.287 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.700 2.683 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.892 1.921 2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.590 0.945 2.504 1.00 0.00 H new ATOM 843 N PHE A 67 -2.096 0.200 4.827 1.00 0.00 N ATOM 844 CA PHE A 67 -3.431 -0.057 5.344 1.00 0.00 C ATOM 845 C PHE A 67 -3.462 0.053 6.863 1.00 0.00 C ATOM 846 O PHE A 67 -4.369 0.655 7.434 1.00 0.00 O ATOM 847 CB PHE A 67 -3.923 -1.436 4.904 1.00 0.00 C ATOM 848 CG PHE A 67 -4.823 -1.390 3.703 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.312 -1.502 2.421 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.187 -1.229 3.861 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.149 -1.453 1.321 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.028 -1.181 2.769 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.510 -1.292 1.496 1.00 0.00 C ATOM 0 H PHE A 67 -1.703 -0.562 4.274 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.099 0.700 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.063 -2.067 4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.456 -1.905 5.731 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.249 -1.629 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.600 -1.139 4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.739 -1.541 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.091 -1.057 2.911 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.166 -1.253 0.639 1.00 0.00 H new ATOM 863 N THR A 68 -2.455 -0.497 7.518 1.00 0.00 N ATOM 864 CA THR A 68 -2.412 -0.481 8.968 1.00 0.00 C ATOM 865 C THR A 68 -2.244 0.942 9.483 1.00 0.00 C ATOM 866 O THR A 68 -2.785 1.314 10.525 1.00 0.00 O ATOM 867 CB THR A 68 -1.277 -1.373 9.501 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.356 -2.675 8.897 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.365 -1.511 11.015 1.00 0.00 C ATOM 0 H THR A 68 -1.661 -0.957 7.072 1.00 0.00 H new ATOM 0 HA THR A 68 -3.359 -0.879 9.332 1.00 0.00 H new ATOM 0 HB THR A 68 -0.325 -0.907 9.246 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.046 -2.624 7.969 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.553 -2.146 11.370 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.284 -0.526 11.475 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.321 -1.960 11.284 1.00 0.00 H new ATOM 877 N LYS A 69 -1.525 1.744 8.720 1.00 0.00 N ATOM 878 CA LYS A 69 -1.254 3.116 9.092 1.00 0.00 C ATOM 879 C LYS A 69 -2.501 3.985 8.967 1.00 0.00 C ATOM 880 O LYS A 69 -2.683 4.931 9.733 1.00 0.00 O ATOM 881 CB LYS A 69 -0.136 3.660 8.218 1.00 0.00 C ATOM 882 CG LYS A 69 1.091 2.771 8.224 1.00 0.00 C ATOM 883 CD LYS A 69 2.304 3.459 7.610 1.00 0.00 C ATOM 884 CE LYS A 69 2.712 4.701 8.384 1.00 0.00 C ATOM 885 NZ LYS A 69 3.224 4.373 9.741 1.00 0.00 N ATOM 0 H LYS A 69 -1.115 1.463 7.829 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.946 3.139 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.498 3.767 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.139 4.656 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.321 2.479 9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.877 1.856 7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.140 2.760 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.081 3.733 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.480 5.238 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.856 5.370 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.585 5.237 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.454 3.976 10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.992 3.676 9.663 1.00 0.00 H new ATOM 899 N VAL A 70 -3.363 3.655 8.012 1.00 0.00 N ATOM 900 CA VAL A 70 -4.586 4.423 7.798 1.00 0.00 C ATOM 901 C VAL A 70 -5.686 3.984 8.762 1.00 0.00 C ATOM 902 O VAL A 70 -6.768 4.570 8.793 1.00 0.00 O ATOM 903 CB VAL A 70 -5.092 4.313 6.341 1.00 0.00 C ATOM 904 CG1 VAL A 70 -3.979 4.664 5.371 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.654 2.931 6.038 1.00 0.00 C ATOM 0 H VAL A 70 -3.240 2.866 7.377 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.338 5.467 7.992 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.907 5.026 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.348 4.583 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.644 5.685 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.144 3.977 5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.998 2.897 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.877 2.182 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.490 2.724 6.706 1.00 0.00 H new ATOM 915 N GLY A 71 -5.399 2.960 9.554 1.00 0.00 N ATOM 916 CA GLY A 71 -6.350 2.503 10.548 1.00 0.00 C ATOM 917 C GLY A 71 -7.095 1.258 10.118 1.00 0.00 C ATOM 918 O GLY A 71 -8.127 0.918 10.693 1.00 0.00 O ATOM 0 H GLY A 71 -4.524 2.437 9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.825 2.302 11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.067 3.298 10.751 1.00 0.00 H new ATOM 922 N GLN A 72 -6.575 0.578 9.111 1.00 0.00 N ATOM 923 CA GLN A 72 -7.175 -0.656 8.633 1.00 0.00 C ATOM 924 C GLN A 72 -6.137 -1.772 8.678 1.00 0.00 C ATOM 925 O GLN A 72 -5.390 -1.978 7.725 1.00 0.00 O ATOM 926 CB GLN A 72 -7.687 -0.473 7.201 1.00 0.00 C ATOM 927 CG GLN A 72 -8.377 -1.699 6.621 1.00 0.00 C ATOM 928 CD GLN A 72 -9.801 -1.852 7.103 1.00 0.00 C ATOM 929 OE1 GLN A 72 -10.069 -2.492 8.122 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.727 -1.265 6.364 1.00 0.00 N ATOM 0 H GLN A 72 -5.735 0.861 8.606 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.018 -0.919 9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.384 0.365 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.848 -0.205 6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.372 -1.633 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.810 -2.590 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.459 -0.745 5.528 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.710 -1.332 6.630 1.00 0.00 H new ATOM 939 N PRO A 73 -6.069 -2.508 9.789 1.00 0.00 N ATOM 940 CA PRO A 73 -5.066 -3.548 9.966 1.00 0.00 C ATOM 941 C PRO A 73 -5.337 -4.762 9.086 1.00 0.00 C ATOM 942 O PRO A 73 -6.218 -5.577 9.371 1.00 0.00 O ATOM 943 CB PRO A 73 -5.166 -3.908 11.445 1.00 0.00 C ATOM 944 CG PRO A 73 -6.544 -3.511 11.853 1.00 0.00 C ATOM 945 CD PRO A 73 -6.957 -2.377 10.954 1.00 0.00 C ATOM 0 HA PRO A 73 -4.071 -3.208 9.678 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.001 -4.974 11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.414 -3.379 12.031 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.232 -4.351 11.756 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.563 -3.202 12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.006 -2.456 10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.832 -1.412 11.445 1.00 0.00 H new ATOM 953 N LYS A 74 -4.600 -4.846 7.995 1.00 0.00 N ATOM 954 CA LYS A 74 -4.700 -5.965 7.076 1.00 0.00 C ATOM 955 C LYS A 74 -3.467 -6.846 7.175 1.00 0.00 C ATOM 956 O LYS A 74 -2.369 -6.363 7.460 1.00 0.00 O ATOM 957 CB LYS A 74 -4.863 -5.469 5.636 1.00 0.00 C ATOM 958 CG LYS A 74 -6.266 -4.983 5.306 1.00 0.00 C ATOM 959 CD LYS A 74 -7.271 -6.120 5.374 1.00 0.00 C ATOM 960 CE LYS A 74 -8.652 -5.675 4.929 1.00 0.00 C ATOM 961 NZ LYS A 74 -9.640 -6.786 5.002 1.00 0.00 N ATOM 0 H LYS A 74 -3.915 -4.141 7.720 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.579 -6.549 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.157 -4.657 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.598 -6.276 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.555 -4.197 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.276 -4.544 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.933 -6.943 4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.322 -6.500 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.987 -4.849 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.601 -5.300 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.463 -6.559 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.200 -7.665 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.949 -6.912 5.987 1.00 0.00 H new ATOM 975 N THR A 75 -3.654 -8.134 6.957 1.00 0.00 N ATOM 976 CA THR A 75 -2.543 -9.064 6.923 1.00 0.00 C ATOM 977 C THR A 75 -1.933 -9.096 5.528 1.00 0.00 C ATOM 978 O THR A 75 -2.558 -8.659 4.557 1.00 0.00 O ATOM 979 CB THR A 75 -2.986 -10.486 7.318 1.00 0.00 C ATOM 980 OG1 THR A 75 -4.075 -10.910 6.489 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.403 -10.541 8.779 1.00 0.00 C ATOM 0 H THR A 75 -4.567 -8.560 6.801 1.00 0.00 H new ATOM 0 HA THR A 75 -1.802 -8.721 7.645 1.00 0.00 H new ATOM 0 HB THR A 75 -2.139 -11.156 7.175 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.349 -11.815 6.746 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.711 -11.556 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.562 -10.250 9.409 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.235 -9.857 8.946 1.00 0.00 H new ATOM 989 N LEU A 76 -0.716 -9.608 5.431 1.00 0.00 N ATOM 990 CA LEU A 76 -0.047 -9.747 4.148 1.00 0.00 C ATOM 991 C LEU A 76 -0.822 -10.718 3.267 1.00 0.00 C ATOM 992 O LEU A 76 -0.882 -10.565 2.044 1.00 0.00 O ATOM 993 CB LEU A 76 1.389 -10.236 4.359 1.00 0.00 C ATOM 994 CG LEU A 76 2.223 -10.392 3.088 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.345 -9.062 2.364 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.600 -10.947 3.423 1.00 0.00 C ATOM 0 H LEU A 76 -0.170 -9.935 6.228 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.012 -8.778 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.898 -9.538 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.356 -11.198 4.871 1.00 0.00 H new ATOM 0 HG LEU A 76 1.718 -11.096 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.942 -9.192 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.352 -8.703 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.828 -8.335 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.182 -11.053 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.112 -10.265 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.493 -11.921 3.900 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.430 -11.705 3.913 1.00 0.00 N ATOM 1009 CA ASN A 77 -2.247 -12.695 3.229 1.00 0.00 C ATOM 1010 C ASN A 77 -3.433 -12.030 2.548 1.00 0.00 C ATOM 1011 O ASN A 77 -3.769 -12.360 1.411 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.747 -13.740 4.225 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.505 -14.869 3.551 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -4.716 -14.786 3.349 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -2.801 -15.935 3.204 1.00 0.00 N ATOM 0 H ASN A 77 -1.370 -11.840 4.922 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.634 -13.183 2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.898 -14.152 4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.395 -13.258 4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.261 -16.725 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.798 -15.966 3.388 1.00 0.00 H new ATOM 1022 N GLU A 78 -4.056 -11.085 3.253 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.181 -10.331 2.705 1.00 0.00 C ATOM 1024 C GLU A 78 -4.788 -9.656 1.404 1.00 0.00 C ATOM 1025 O GLU A 78 -5.466 -9.802 0.392 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.648 -9.255 3.690 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.490 -9.776 4.836 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.890 -10.150 4.409 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -8.180 -11.359 4.291 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.715 -9.234 4.197 1.00 0.00 O ATOM 0 H GLU A 78 -3.799 -10.824 4.205 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.991 -11.037 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.773 -8.750 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.222 -8.506 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.003 -10.648 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.543 -9.017 5.616 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.661 -8.962 1.432 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.227 -8.171 0.293 1.00 0.00 C ATOM 1039 C ILE A 79 -2.969 -9.058 -0.921 1.00 0.00 C ATOM 1040 O ILE A 79 -3.480 -8.797 -2.012 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.958 -7.356 0.620 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.154 -6.544 1.907 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.610 -6.432 -0.538 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.322 -5.578 1.856 1.00 0.00 C ATOM 0 H ILE A 79 -3.030 -8.931 2.233 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.033 -7.475 0.060 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.133 -8.052 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.301 -7.232 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.242 -5.984 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.713 -5.864 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.430 -7.025 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.437 -5.745 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.393 -5.043 2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.169 -4.864 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.245 -6.132 1.682 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.202 -10.123 -0.721 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.864 -11.033 -1.809 1.00 0.00 C ATOM 1058 C LYS A 80 -3.112 -11.726 -2.346 1.00 0.00 C ATOM 1059 O LYS A 80 -3.258 -11.908 -3.554 1.00 0.00 O ATOM 1060 CB LYS A 80 -0.835 -12.071 -1.352 1.00 0.00 C ATOM 1061 CG LYS A 80 0.454 -11.450 -0.841 1.00 0.00 C ATOM 1062 CD LYS A 80 1.566 -12.480 -0.706 1.00 0.00 C ATOM 1063 CE LYS A 80 2.867 -11.847 -0.223 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.466 -10.938 -1.236 1.00 0.00 N ATOM 0 H LYS A 80 -1.803 -10.378 0.183 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.425 -10.443 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.272 -12.685 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.605 -12.736 -2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.771 -10.660 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.273 -10.982 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.258 -13.258 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.732 -12.964 -1.668 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.678 -11.290 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.581 -12.633 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.849 -10.095 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.232 -11.432 -1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.736 -10.650 -1.919 1.00 0.00 H new ATOM 1078 N ARG A 81 -4.013 -12.096 -1.444 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.265 -12.743 -1.829 1.00 0.00 C ATOM 1080 C ARG A 81 -6.131 -11.803 -2.660 1.00 0.00 C ATOM 1081 O ARG A 81 -6.684 -12.199 -3.685 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.040 -13.204 -0.591 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.413 -13.783 -0.908 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.318 -15.003 -1.813 1.00 0.00 C ATOM 1085 NE ARG A 81 -6.515 -16.067 -1.218 1.00 0.00 N ATOM 1086 CZ ARG A 81 -5.844 -16.981 -1.917 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -5.884 -16.978 -3.245 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -5.141 -17.906 -1.280 1.00 0.00 N ATOM 0 H ARG A 81 -3.901 -11.960 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.016 -13.615 -2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.452 -13.955 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.160 -12.359 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.915 -14.057 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.026 -13.021 -1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.320 -15.379 -2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.882 -14.712 -2.769 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.464 -16.114 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.432 -16.272 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.367 -17.682 -3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.116 -17.915 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.625 -18.609 -1.809 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.240 -10.561 -2.213 1.00 0.00 N ATOM 1103 CA ILE A 82 -7.037 -9.557 -2.906 1.00 0.00 C ATOM 1104 C ILE A 82 -6.472 -9.281 -4.301 1.00 0.00 C ATOM 1105 O ILE A 82 -7.222 -9.035 -5.249 1.00 0.00 O ATOM 1106 CB ILE A 82 -7.101 -8.246 -2.089 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.846 -8.487 -0.771 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.776 -7.138 -2.888 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.762 -7.333 0.209 1.00 0.00 C ATOM 0 H ILE A 82 -5.783 -10.221 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.048 -9.949 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.083 -7.927 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.895 -8.687 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.443 -9.382 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.808 -6.227 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.212 -6.953 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.792 -7.441 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.315 -7.584 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.718 -7.145 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.193 -6.440 -0.243 1.00 0.00 H new ATOM 1121 N LEU A 83 -5.152 -9.352 -4.427 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.487 -9.120 -5.707 1.00 0.00 C ATOM 1123 C LEU A 83 -4.620 -10.329 -6.626 1.00 0.00 C ATOM 1124 O LEU A 83 -4.484 -10.212 -7.844 1.00 0.00 O ATOM 1125 CB LEU A 83 -3.006 -8.805 -5.486 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.712 -7.458 -4.829 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.235 -7.347 -4.482 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.127 -6.321 -5.748 1.00 0.00 C ATOM 0 H LEU A 83 -4.518 -9.569 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.973 -8.269 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.573 -9.593 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.497 -8.838 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.289 -7.388 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.043 -6.381 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.963 -8.145 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.640 -7.435 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.912 -5.367 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.572 -6.389 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.195 -6.391 -5.953 1.00 0.00 H new ATOM 1140 N SER A 84 -4.893 -11.484 -6.042 1.00 0.00 N ATOM 1141 CA SER A 84 -5.023 -12.712 -6.812 1.00 0.00 C ATOM 1142 C SER A 84 -6.450 -12.870 -7.328 1.00 0.00 C ATOM 1143 O SER A 84 -7.282 -13.475 -6.623 1.00 0.00 O ATOM 1144 CB SER A 84 -4.620 -13.914 -5.956 1.00 0.00 C ATOM 1145 OG SER A 84 -3.288 -13.774 -5.481 1.00 0.00 O ATOM 1146 OXT SER A 84 -6.745 -12.365 -8.434 1.00 0.00 O ATOM 0 H SER A 84 -5.029 -11.598 -5.038 1.00 0.00 H new ATOM 0 HA SER A 84 -4.355 -12.660 -7.672 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.303 -14.010 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.707 -14.829 -6.542 1.00 0.00 H new ATOM 0 HG SER A 84 -3.289 -13.243 -4.657 1.00 0.00 H new