USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 789 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 80 ASN :FLIP amide:sc= -4.29! C(o=-7.6!,f=-4.3!) USER MOD Set 1.2: A 96 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 HIS : no HD1:sc= -0.488 X(o=-0.49,f=-0.22) USER MOD Set 3.1: A 71 GLN : amide:sc= 0.0529 K(o=0.15,f=-0.88) USER MOD Set 3.2: A 75 ASN : amide:sc= 0.0952 K(o=0.15,f=-1.8) USER MOD Single : A 19 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0469 F(o=-0.9,f=-0.047) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00225) USER MOD Single : A 53 TYR OH : rot 130:sc= 0.0115 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc=-0.00454 (180deg=-0.46) USER MOD Single : A 57 MET CE :methyl -164:sc= -0.286 (180deg=-0.688) USER MOD Single : A 60 MET CE :methyl -132:sc= -5.88! (180deg=-10.4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=-0.4) USER MOD Single : A 62 ASN : amide:sc= -2.3! C(o=-2.3!,f=-8.8!) USER MOD Single : A 63 TYR OH : rot 50:sc= -0.5 USER MOD Single : A 67 ASN : amide:sc= -0.0444 K(o=-0.044,f=-0.72) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.47 (180deg=0.411) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= -0.0487 (180deg=-1.08) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 90 SER OG : rot -24:sc= 0.615 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.22) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 122 GLN : amide:sc= -0.882 K(o=-0.88,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 8.747 14.801 2.162 1.00 0.00 N ATOM 221 CA GLN A 19 9.431 13.576 2.559 1.00 0.00 C ATOM 222 C GLN A 19 8.667 12.346 2.079 1.00 0.00 C ATOM 223 O GLN A 19 9.260 11.394 1.570 1.00 0.00 O ATOM 224 CB GLN A 19 9.596 13.528 4.079 1.00 0.00 C ATOM 225 CG GLN A 19 10.629 14.508 4.610 1.00 0.00 C ATOM 226 CD GLN A 19 12.027 14.217 4.100 1.00 0.00 C ATOM 227 OE1 GLN A 19 12.642 15.048 3.431 1.00 0.00 O ATOM 228 NE2 GLN A 19 12.537 13.032 4.414 1.00 0.00 N ATOM 0 HA GLN A 19 10.417 13.573 2.094 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.634 13.738 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.881 12.518 4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.345 15.520 4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.630 14.474 5.699 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.992 12.374 4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.474 12.780 4.099 1.00 0.00 H new ATOM 237 N LEU A 20 7.349 12.373 2.244 1.00 0.00 N ATOM 238 CA LEU A 20 6.503 11.260 1.828 1.00 0.00 C ATOM 239 C LEU A 20 6.422 11.176 0.307 1.00 0.00 C ATOM 240 O LEU A 20 6.510 10.093 -0.271 1.00 0.00 O ATOM 241 CB LEU A 20 5.100 11.412 2.417 1.00 0.00 C ATOM 242 CG LEU A 20 3.997 10.596 1.743 1.00 0.00 C ATOM 243 CD1 LEU A 20 3.998 9.166 2.261 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.639 11.245 1.969 1.00 0.00 C ATOM 0 H LEU A 20 6.843 13.153 2.663 1.00 0.00 H new ATOM 0 HA LEU A 20 6.949 10.338 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.138 11.134 3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.822 12.465 2.375 1.00 0.00 H new ATOM 0 HG LEU A 20 4.193 10.573 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.206 8.601 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.961 8.702 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.828 9.169 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.866 10.650 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.435 11.299 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.642 12.251 1.549 1.00 0.00 H new ATOM 256 N TYR A 21 6.257 12.327 -0.335 1.00 0.00 N ATOM 257 CA TYR A 21 6.164 12.385 -1.789 1.00 0.00 C ATOM 258 C TYR A 21 7.459 11.902 -2.437 1.00 0.00 C ATOM 259 O TYR A 21 7.471 11.495 -3.600 1.00 0.00 O ATOM 260 CB TYR A 21 5.853 13.811 -2.246 1.00 0.00 C ATOM 261 CG TYR A 21 4.392 14.180 -2.127 1.00 0.00 C ATOM 262 CD1 TYR A 21 3.398 13.313 -2.565 1.00 0.00 C ATOM 263 CD2 TYR A 21 4.004 15.395 -1.575 1.00 0.00 C ATOM 264 CE1 TYR A 21 2.062 13.646 -2.459 1.00 0.00 C ATOM 265 CE2 TYR A 21 2.670 15.736 -1.463 1.00 0.00 C ATOM 266 CZ TYR A 21 1.703 14.859 -1.908 1.00 0.00 C ATOM 267 OH TYR A 21 0.373 15.194 -1.799 1.00 0.00 O ATOM 0 H TYR A 21 6.185 13.233 0.129 1.00 0.00 H new ATOM 0 HA TYR A 21 5.354 11.726 -2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.445 14.510 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.165 13.927 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.675 12.362 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.759 16.085 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.302 12.961 -2.805 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.386 16.684 -1.030 1.00 0.00 H new ATOM 0 HH TYR A 21 0.291 16.080 -1.389 1.00 0.00 H new ATOM 277 N LEU A 22 8.547 11.951 -1.677 1.00 0.00 N ATOM 278 CA LEU A 22 9.848 11.518 -2.175 1.00 0.00 C ATOM 279 C LEU A 22 9.987 10.002 -2.090 1.00 0.00 C ATOM 280 O LEU A 22 10.615 9.377 -2.945 1.00 0.00 O ATOM 281 CB LEU A 22 10.969 12.190 -1.380 1.00 0.00 C ATOM 282 CG LEU A 22 11.172 13.684 -1.637 1.00 0.00 C ATOM 283 CD1 LEU A 22 12.160 14.267 -0.639 1.00 0.00 C ATOM 284 CD2 LEU A 22 11.650 13.919 -3.062 1.00 0.00 C ATOM 0 H LEU A 22 8.554 12.286 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 22 9.925 11.813 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.769 12.048 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.903 11.674 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 22 10.215 14.189 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.292 15.331 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.778 14.131 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.119 13.758 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.789 14.987 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.596 13.401 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.907 13.537 -3.763 1.00 0.00 H new ATOM 296 N TRP A 23 9.395 9.416 -1.055 1.00 0.00 N ATOM 297 CA TRP A 23 9.451 7.972 -0.860 1.00 0.00 C ATOM 298 C TRP A 23 8.858 7.237 -2.057 1.00 0.00 C ATOM 299 O TRP A 23 9.443 6.278 -2.561 1.00 0.00 O ATOM 300 CB TRP A 23 8.704 7.579 0.416 1.00 0.00 C ATOM 301 CG TRP A 23 8.351 6.124 0.474 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.218 5.073 0.566 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.036 5.559 0.441 1.00 0.00 C ATOM 304 NE1 TRP A 23 8.521 3.889 0.592 1.00 0.00 N ATOM 305 CE2 TRP A 23 7.181 4.160 0.518 1.00 0.00 C ATOM 306 CE3 TRP A 23 5.750 6.099 0.356 1.00 0.00 C ATOM 307 CZ2 TRP A 23 6.088 3.297 0.511 1.00 0.00 C ATOM 308 CZ3 TRP A 23 4.666 5.241 0.349 1.00 0.00 C ATOM 309 CH2 TRP A 23 4.841 3.853 0.427 1.00 0.00 C ATOM 0 H TRP A 23 8.871 9.919 -0.338 1.00 0.00 H new ATOM 0 HA TRP A 23 10.498 7.685 -0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.319 7.831 1.280 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.791 8.170 0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.294 5.160 0.612 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.935 2.959 0.656 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.605 7.168 0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.220 2.227 0.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.668 5.647 0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 23 3.974 3.209 0.421 1.00 0.00 H new ATOM 320 N VAL A 24 7.695 7.693 -2.509 1.00 0.00 N ATOM 321 CA VAL A 24 7.023 7.080 -3.649 1.00 0.00 C ATOM 322 C VAL A 24 7.847 7.239 -4.923 1.00 0.00 C ATOM 323 O VAL A 24 7.753 6.424 -5.840 1.00 0.00 O ATOM 324 CB VAL A 24 5.627 7.691 -3.874 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.949 7.046 -5.073 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.773 7.541 -2.624 1.00 0.00 C ATOM 0 H VAL A 24 7.198 8.486 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 24 6.914 6.020 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 24 5.744 8.755 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.964 7.490 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.554 7.209 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.842 5.975 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.790 7.978 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.662 6.484 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.254 8.054 -1.791 1.00 0.00 H new ATOM 336 N ASP A 25 8.653 8.293 -4.971 1.00 0.00 N ATOM 337 CA ASP A 25 9.495 8.559 -6.132 1.00 0.00 C ATOM 338 C ASP A 25 10.240 7.300 -6.562 1.00 0.00 C ATOM 339 O ASP A 25 10.159 6.883 -7.717 1.00 0.00 O ATOM 340 CB ASP A 25 10.493 9.675 -5.820 1.00 0.00 C ATOM 341 CG ASP A 25 10.868 10.477 -7.050 1.00 0.00 C ATOM 342 OD1 ASP A 25 11.799 10.059 -7.770 1.00 0.00 O ATOM 343 OD2 ASP A 25 10.231 11.523 -7.294 1.00 0.00 O ATOM 0 H ASP A 25 8.742 8.977 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 25 8.851 8.877 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.065 10.342 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.393 9.242 -5.384 1.00 0.00 H new ATOM 348 N ASN A 26 10.967 6.698 -5.626 1.00 0.00 N ATOM 349 CA ASN A 26 11.728 5.487 -5.909 1.00 0.00 C ATOM 350 C ASN A 26 10.900 4.504 -6.731 1.00 0.00 C ATOM 351 O ASN A 26 11.433 3.778 -7.571 1.00 0.00 O ATOM 352 CB ASN A 26 12.178 4.826 -4.605 1.00 0.00 C ATOM 353 CG ASN A 26 12.799 3.461 -4.833 1.00 0.00 C ATOM 354 OD1 ASN A 26 13.568 3.334 -5.908 1.00 0.00 O flip ATOM 355 ND2 ASN A 26 12.590 2.534 -4.051 1.00 0.00 N flip ATOM 0 H ASN A 26 11.045 7.030 -4.665 1.00 0.00 H new ATOM 0 HA ASN A 26 12.607 5.768 -6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.900 5.471 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.322 4.726 -3.937 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.992 2.678 -3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 26 13.015 1.622 -4.216 1.00 0.00 H new ATOM 362 N ILE A 27 9.595 4.487 -6.484 1.00 0.00 N ATOM 363 CA ILE A 27 8.693 3.595 -7.203 1.00 0.00 C ATOM 364 C ILE A 27 7.968 4.332 -8.324 1.00 0.00 C ATOM 365 O ILE A 27 7.488 5.453 -8.155 1.00 0.00 O ATOM 366 CB ILE A 27 7.651 2.968 -6.258 1.00 0.00 C ATOM 367 CG1 ILE A 27 8.264 2.720 -4.879 1.00 0.00 C ATOM 368 CG2 ILE A 27 7.115 1.671 -6.847 1.00 0.00 C ATOM 369 CD1 ILE A 27 7.245 2.365 -3.819 1.00 0.00 C ATOM 0 H ILE A 27 9.138 5.081 -5.792 1.00 0.00 H new ATOM 0 HA ILE A 27 9.307 2.803 -7.631 1.00 0.00 H new ATOM 0 HB ILE A 27 6.820 3.664 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.994 1.914 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.806 3.612 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.380 1.240 -6.168 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.645 1.875 -7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.936 0.968 -6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.751 2.203 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.529 3.180 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.719 1.455 -4.110 1.00 0.00 H new ATOM 577 N ASP A 39 -5.942 8.335 -7.807 1.00 0.00 N ATOM 578 CA ASP A 39 -5.876 6.887 -7.968 1.00 0.00 C ATOM 579 C ASP A 39 -5.571 6.205 -6.637 1.00 0.00 C ATOM 580 O ASP A 39 -6.331 5.354 -6.176 1.00 0.00 O ATOM 581 CB ASP A 39 -4.811 6.515 -9.001 1.00 0.00 C ATOM 582 CG ASP A 39 -4.928 5.075 -9.460 1.00 0.00 C ATOM 583 OD1 ASP A 39 -5.097 4.188 -8.597 1.00 0.00 O ATOM 584 OD2 ASP A 39 -4.852 4.834 -10.683 1.00 0.00 O ATOM 0 HA ASP A 39 -6.848 6.541 -8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.898 7.176 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.822 6.678 -8.573 1.00 0.00 H new ATOM 589 N PHE A 40 -4.454 6.585 -6.026 1.00 0.00 N ATOM 590 CA PHE A 40 -4.047 6.010 -4.749 1.00 0.00 C ATOM 591 C PHE A 40 -5.261 5.727 -3.869 1.00 0.00 C ATOM 592 O PHE A 40 -5.326 4.700 -3.194 1.00 0.00 O ATOM 593 CB PHE A 40 -3.086 6.953 -4.024 1.00 0.00 C ATOM 594 CG PHE A 40 -1.644 6.732 -4.383 1.00 0.00 C ATOM 595 CD1 PHE A 40 -1.179 7.031 -5.654 1.00 0.00 C ATOM 596 CD2 PHE A 40 -0.754 6.226 -3.450 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.146 6.828 -5.987 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.574 6.021 -3.777 1.00 0.00 C ATOM 599 CZ PHE A 40 1.024 6.323 -5.047 1.00 0.00 C ATOM 0 H PHE A 40 -3.814 7.289 -6.394 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.537 5.067 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.356 7.983 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.208 6.826 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.860 7.427 -6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.101 5.989 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.496 7.064 -6.981 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.258 5.625 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.061 6.165 -5.305 1.00 0.00 H new ATOM 609 N SER A 41 -6.221 6.647 -3.881 1.00 0.00 N ATOM 610 CA SER A 41 -7.431 6.500 -3.081 1.00 0.00 C ATOM 611 C SER A 41 -7.872 5.040 -3.027 1.00 0.00 C ATOM 612 O SER A 41 -7.952 4.444 -1.953 1.00 0.00 O ATOM 613 CB SER A 41 -8.555 7.363 -3.655 1.00 0.00 C ATOM 614 OG SER A 41 -8.163 8.722 -3.739 1.00 0.00 O ATOM 0 H SER A 41 -6.184 7.502 -4.436 1.00 0.00 H new ATOM 0 HA SER A 41 -7.209 6.833 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.828 6.998 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.442 7.275 -3.027 1.00 0.00 H new ATOM 0 HG SER A 41 -8.899 9.252 -4.111 1.00 0.00 H new ATOM 620 N ASP A 42 -8.157 4.471 -4.193 1.00 0.00 N ATOM 621 CA ASP A 42 -8.589 3.081 -4.280 1.00 0.00 C ATOM 622 C ASP A 42 -7.612 2.162 -3.554 1.00 0.00 C ATOM 623 O ASP A 42 -6.402 2.380 -3.579 1.00 0.00 O ATOM 624 CB ASP A 42 -8.717 2.655 -5.744 1.00 0.00 C ATOM 625 CG ASP A 42 -7.370 2.517 -6.426 1.00 0.00 C ATOM 626 OD1 ASP A 42 -6.566 1.669 -5.987 1.00 0.00 O ATOM 627 OD2 ASP A 42 -7.122 3.257 -7.401 1.00 0.00 O ATOM 0 H ASP A 42 -8.097 4.951 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.564 2.998 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.247 1.704 -5.798 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.320 3.387 -6.281 1.00 0.00 H new ATOM 632 N GLY A 43 -8.147 1.132 -2.905 1.00 0.00 N ATOM 633 CA GLY A 43 -7.309 0.195 -2.179 1.00 0.00 C ATOM 634 C GLY A 43 -6.773 -0.911 -3.066 1.00 0.00 C ATOM 635 O GLY A 43 -6.776 -2.081 -2.683 1.00 0.00 O ATOM 0 H GLY A 43 -9.146 0.930 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.474 0.732 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.883 -0.244 -1.363 1.00 0.00 H new ATOM 639 N VAL A 44 -6.314 -0.542 -4.258 1.00 0.00 N ATOM 640 CA VAL A 44 -5.773 -1.511 -5.203 1.00 0.00 C ATOM 641 C VAL A 44 -4.322 -1.193 -5.546 1.00 0.00 C ATOM 642 O VAL A 44 -3.412 -1.952 -5.209 1.00 0.00 O ATOM 643 CB VAL A 44 -6.600 -1.551 -6.501 1.00 0.00 C ATOM 644 CG1 VAL A 44 -6.037 -2.589 -7.461 1.00 0.00 C ATOM 645 CG2 VAL A 44 -8.062 -1.835 -6.193 1.00 0.00 C ATOM 0 H VAL A 44 -6.306 0.422 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.823 -2.487 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.537 -0.575 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.634 -2.603 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.006 -2.336 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.067 -3.573 -6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.631 -1.860 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.147 -2.798 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.457 -1.051 -5.546 1.00 0.00 H new ATOM 655 N LEU A 45 -4.112 -0.067 -6.219 1.00 0.00 N ATOM 656 CA LEU A 45 -2.770 0.353 -6.609 1.00 0.00 C ATOM 657 C LEU A 45 -1.834 0.368 -5.405 1.00 0.00 C ATOM 658 O LEU A 45 -0.654 0.034 -5.519 1.00 0.00 O ATOM 659 CB LEU A 45 -2.816 1.740 -7.252 1.00 0.00 C ATOM 660 CG LEU A 45 -1.573 2.155 -8.040 1.00 0.00 C ATOM 661 CD1 LEU A 45 -1.111 1.022 -8.944 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.853 3.409 -8.855 1.00 0.00 C ATOM 0 H LEU A 45 -4.854 0.572 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.387 -0.364 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.676 1.780 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.987 2.477 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.774 2.376 -7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.226 1.336 -9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.870 0.148 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.906 0.769 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.958 3.690 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.667 3.215 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.136 4.222 -8.186 1.00 0.00 H new ATOM 674 N VAL A 46 -2.367 0.755 -4.251 1.00 0.00 N ATOM 675 CA VAL A 46 -1.580 0.811 -3.025 1.00 0.00 C ATOM 676 C VAL A 46 -0.872 -0.514 -2.766 1.00 0.00 C ATOM 677 O VAL A 46 0.279 -0.540 -2.330 1.00 0.00 O ATOM 678 CB VAL A 46 -2.459 1.156 -1.809 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.624 1.189 -0.538 1.00 0.00 C ATOM 680 CG2 VAL A 46 -3.169 2.484 -2.025 1.00 0.00 C ATOM 0 H VAL A 46 -3.342 1.035 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.837 1.597 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.216 0.379 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.263 1.434 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.167 0.213 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.843 1.944 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.786 2.712 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.430 3.273 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.800 2.419 -2.911 1.00 0.00 H new ATOM 690 N ALA A 47 -1.567 -1.614 -3.039 1.00 0.00 N ATOM 691 CA ALA A 47 -1.003 -2.943 -2.839 1.00 0.00 C ATOM 692 C ALA A 47 0.284 -3.120 -3.637 1.00 0.00 C ATOM 693 O ALA A 47 1.210 -3.799 -3.195 1.00 0.00 O ATOM 694 CB ALA A 47 -2.017 -4.009 -3.225 1.00 0.00 C ATOM 0 H ALA A 47 -2.521 -1.611 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.761 -3.053 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.583 -4.997 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.909 -3.904 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.287 -3.891 -4.274 1.00 0.00 H new ATOM 700 N GLU A 48 0.334 -2.505 -4.815 1.00 0.00 N ATOM 701 CA GLU A 48 1.508 -2.597 -5.675 1.00 0.00 C ATOM 702 C GLU A 48 2.751 -2.083 -4.955 1.00 0.00 C ATOM 703 O GLU A 48 3.800 -2.727 -4.966 1.00 0.00 O ATOM 704 CB GLU A 48 1.287 -1.803 -6.964 1.00 0.00 C ATOM 705 CG GLU A 48 0.164 -2.349 -7.830 1.00 0.00 C ATOM 706 CD GLU A 48 0.338 -2.006 -9.296 1.00 0.00 C ATOM 707 OE1 GLU A 48 1.484 -2.074 -9.788 1.00 0.00 O ATOM 708 OE2 GLU A 48 -0.670 -1.669 -9.952 1.00 0.00 O ATOM 0 H GLU A 48 -0.424 -1.938 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 48 1.662 -3.647 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.067 -0.766 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.211 -1.800 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.117 -3.432 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.788 -1.951 -7.478 1.00 0.00 H new ATOM 715 N VAL A 49 2.626 -0.917 -4.328 1.00 0.00 N ATOM 716 CA VAL A 49 3.738 -0.315 -3.602 1.00 0.00 C ATOM 717 C VAL A 49 4.407 -1.330 -2.682 1.00 0.00 C ATOM 718 O VAL A 49 5.633 -1.435 -2.645 1.00 0.00 O ATOM 719 CB VAL A 49 3.275 0.892 -2.766 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.436 1.468 -1.971 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.653 1.953 -3.662 1.00 0.00 C ATOM 0 H VAL A 49 1.765 -0.370 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 49 4.457 0.024 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 49 2.516 0.554 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.089 2.320 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.832 0.705 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.220 1.792 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.331 2.799 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.389 2.290 -4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.793 1.531 -4.182 1.00 0.00 H new ATOM 731 N ILE A 50 3.593 -2.076 -1.943 1.00 0.00 N ATOM 732 CA ILE A 50 4.106 -3.085 -1.023 1.00 0.00 C ATOM 733 C ILE A 50 4.864 -4.176 -1.772 1.00 0.00 C ATOM 734 O ILE A 50 5.892 -4.666 -1.304 1.00 0.00 O ATOM 735 CB ILE A 50 2.972 -3.731 -0.207 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.144 -2.655 0.498 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.542 -4.714 0.805 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.787 -3.141 0.958 1.00 0.00 C ATOM 0 H ILE A 50 2.576 -2.001 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 50 4.787 -2.575 -0.342 1.00 0.00 H new ATOM 0 HB ILE A 50 2.320 -4.277 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.700 -2.287 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.009 -1.811 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.728 -5.163 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.093 -5.496 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.213 -4.189 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.256 -2.326 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.212 -3.483 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.914 -3.965 1.660 1.00 0.00 H new ATOM 750 N LYS A 51 4.351 -4.551 -2.939 1.00 0.00 N ATOM 751 CA LYS A 51 4.980 -5.582 -3.756 1.00 0.00 C ATOM 752 C LYS A 51 6.495 -5.402 -3.788 1.00 0.00 C ATOM 753 O LYS A 51 7.246 -6.323 -3.468 1.00 0.00 O ATOM 754 CB LYS A 51 4.421 -5.545 -5.180 1.00 0.00 C ATOM 755 CG LYS A 51 4.409 -6.901 -5.864 1.00 0.00 C ATOM 756 CD LYS A 51 5.808 -7.330 -6.275 1.00 0.00 C ATOM 757 CE LYS A 51 6.214 -6.710 -7.603 1.00 0.00 C ATOM 758 NZ LYS A 51 5.598 -7.422 -8.758 1.00 0.00 N ATOM 0 H LYS A 51 3.501 -4.156 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 51 4.756 -6.551 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.405 -5.152 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.014 -4.852 -5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.982 -7.645 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.767 -6.860 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.520 -7.038 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.849 -8.417 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.915 -5.662 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.300 -6.734 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.925 -6.991 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.876 -8.424 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.562 -7.348 -8.699 1.00 0.00 H new ATOM 772 N PHE A 52 6.936 -4.210 -4.175 1.00 0.00 N ATOM 773 CA PHE A 52 8.361 -3.909 -4.249 1.00 0.00 C ATOM 774 C PHE A 52 9.110 -4.535 -3.076 1.00 0.00 C ATOM 775 O PHE A 52 10.192 -5.098 -3.245 1.00 0.00 O ATOM 776 CB PHE A 52 8.585 -2.395 -4.262 1.00 0.00 C ATOM 777 CG PHE A 52 9.966 -1.997 -4.696 1.00 0.00 C ATOM 778 CD1 PHE A 52 11.066 -2.291 -3.906 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.165 -1.329 -5.893 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.339 -1.925 -4.303 1.00 0.00 C ATOM 781 CE2 PHE A 52 11.436 -0.961 -6.296 1.00 0.00 C ATOM 782 CZ PHE A 52 12.524 -1.261 -5.500 1.00 0.00 C ATOM 0 H PHE A 52 6.327 -3.436 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 52 8.749 -4.334 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.856 -1.934 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.399 -2.000 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.927 -2.812 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.317 -1.093 -6.519 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.188 -2.158 -3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.577 -0.440 -7.231 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.518 -0.977 -5.813 1.00 0.00 H new ATOM 792 N TYR A 53 8.527 -4.431 -1.887 1.00 0.00 N ATOM 793 CA TYR A 53 9.140 -4.984 -0.684 1.00 0.00 C ATOM 794 C TYR A 53 8.752 -6.448 -0.499 1.00 0.00 C ATOM 795 O TYR A 53 9.601 -7.338 -0.554 1.00 0.00 O ATOM 796 CB TYR A 53 8.721 -4.175 0.544 1.00 0.00 C ATOM 797 CG TYR A 53 9.190 -2.737 0.511 1.00 0.00 C ATOM 798 CD1 TYR A 53 10.478 -2.397 0.907 1.00 0.00 C ATOM 799 CD2 TYR A 53 8.345 -1.720 0.085 1.00 0.00 C ATOM 800 CE1 TYR A 53 10.910 -1.085 0.879 1.00 0.00 C ATOM 801 CE2 TYR A 53 8.769 -0.406 0.052 1.00 0.00 C ATOM 802 CZ TYR A 53 10.052 -0.093 0.450 1.00 0.00 C ATOM 803 OH TYR A 53 10.478 1.215 0.420 1.00 0.00 O ATOM 0 H TYR A 53 7.631 -3.969 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 53 10.222 -4.925 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.634 -4.192 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.116 -4.657 1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.152 -3.171 1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.339 -1.961 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.914 -0.837 1.191 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.100 0.372 -0.284 1.00 0.00 H new ATOM 0 HH TYR A 53 10.277 1.604 -0.457 1.00 0.00 H new ATOM 813 N PHE A 54 7.464 -6.689 -0.280 1.00 0.00 N ATOM 814 CA PHE A 54 6.962 -8.044 -0.087 1.00 0.00 C ATOM 815 C PHE A 54 6.061 -8.461 -1.245 1.00 0.00 C ATOM 816 O PHE A 54 4.845 -8.270 -1.219 1.00 0.00 O ATOM 817 CB PHE A 54 6.193 -8.142 1.233 1.00 0.00 C ATOM 818 CG PHE A 54 7.004 -7.737 2.430 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.154 -8.430 2.772 1.00 0.00 C ATOM 820 CD2 PHE A 54 6.616 -6.663 3.215 1.00 0.00 C ATOM 821 CE1 PHE A 54 8.903 -8.059 3.873 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.361 -6.287 4.317 1.00 0.00 C ATOM 823 CZ PHE A 54 8.505 -6.987 4.647 1.00 0.00 C ATOM 0 H PHE A 54 6.749 -5.963 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 54 7.817 -8.720 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.306 -7.512 1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.848 -9.167 1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.469 -9.270 2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.721 -6.113 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.798 -8.607 4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.049 -5.447 4.919 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.087 -6.696 5.509 1.00 0.00 H new ATOM 833 N PRO A 55 6.670 -9.045 -2.288 1.00 0.00 N ATOM 834 CA PRO A 55 5.943 -9.502 -3.476 1.00 0.00 C ATOM 835 C PRO A 55 5.063 -10.713 -3.187 1.00 0.00 C ATOM 836 O PRO A 55 4.347 -11.197 -4.064 1.00 0.00 O ATOM 837 CB PRO A 55 7.060 -9.874 -4.454 1.00 0.00 C ATOM 838 CG PRO A 55 8.228 -10.201 -3.589 1.00 0.00 C ATOM 839 CD PRO A 55 8.116 -9.305 -2.386 1.00 0.00 C ATOM 0 HA PRO A 55 5.262 -8.740 -3.855 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.776 -10.724 -5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.286 -9.049 -5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.215 -11.251 -3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.166 -10.029 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.499 -9.789 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.682 -8.383 -2.518 1.00 0.00 H new ATOM 847 N LYS A 56 5.120 -11.199 -1.951 1.00 0.00 N ATOM 848 CA LYS A 56 4.326 -12.352 -1.545 1.00 0.00 C ATOM 849 C LYS A 56 2.981 -11.914 -0.975 1.00 0.00 C ATOM 850 O LYS A 56 1.930 -12.380 -1.413 1.00 0.00 O ATOM 851 CB LYS A 56 5.087 -13.180 -0.506 1.00 0.00 C ATOM 852 CG LYS A 56 5.422 -12.409 0.759 1.00 0.00 C ATOM 853 CD LYS A 56 6.479 -13.125 1.584 1.00 0.00 C ATOM 854 CE LYS A 56 6.593 -12.530 2.979 1.00 0.00 C ATOM 855 NZ LYS A 56 7.542 -11.383 3.017 1.00 0.00 N ATOM 0 H LYS A 56 5.708 -10.812 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 56 4.144 -12.965 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.491 -14.053 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.011 -13.548 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.777 -11.413 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.520 -12.278 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.229 -14.183 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.443 -13.059 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.610 -12.199 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.925 -13.299 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.944 -11.297 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.308 -11.543 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.037 -10.507 2.774 1.00 0.00 H new ATOM 869 N MET A 57 3.022 -11.015 0.003 1.00 0.00 N ATOM 870 CA MET A 57 1.806 -10.513 0.630 1.00 0.00 C ATOM 871 C MET A 57 0.780 -10.103 -0.422 1.00 0.00 C ATOM 872 O MET A 57 -0.363 -10.559 -0.400 1.00 0.00 O ATOM 873 CB MET A 57 2.127 -9.322 1.536 1.00 0.00 C ATOM 874 CG MET A 57 3.056 -9.669 2.688 1.00 0.00 C ATOM 875 SD MET A 57 2.802 -8.612 4.127 1.00 0.00 S ATOM 876 CE MET A 57 2.781 -6.994 3.360 1.00 0.00 C ATOM 0 H MET A 57 3.884 -10.620 0.378 1.00 0.00 H new ATOM 0 HA MET A 57 1.381 -11.316 1.233 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.582 -8.533 0.938 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.197 -8.921 1.938 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.901 -10.709 2.974 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.090 -9.581 2.355 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.918 -6.228 4.123 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.588 -6.927 2.630 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.825 -6.841 2.860 1.00 0.00 H new ATOM 886 N VAL A 58 1.197 -9.241 -1.344 1.00 0.00 N ATOM 887 CA VAL A 58 0.315 -8.771 -2.406 1.00 0.00 C ATOM 888 C VAL A 58 -0.500 -9.918 -2.992 1.00 0.00 C ATOM 889 O VAL A 58 0.052 -10.943 -3.391 1.00 0.00 O ATOM 890 CB VAL A 58 1.110 -8.091 -3.536 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.191 -7.731 -4.693 1.00 0.00 C ATOM 892 CG2 VAL A 58 1.830 -6.857 -3.013 1.00 0.00 C ATOM 0 H VAL A 58 2.140 -8.854 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.360 -8.042 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 58 1.859 -8.793 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.770 -7.251 -5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.274 -8.636 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.583 -7.047 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.387 -6.389 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.100 -6.150 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.520 -7.147 -2.220 1.00 0.00 H new ATOM 902 N GLU A 59 -1.816 -9.738 -3.040 1.00 0.00 N ATOM 903 CA GLU A 59 -2.707 -10.760 -3.577 1.00 0.00 C ATOM 904 C GLU A 59 -3.709 -10.149 -4.553 1.00 0.00 C ATOM 905 O GLU A 59 -4.917 -10.341 -4.419 1.00 0.00 O ATOM 906 CB GLU A 59 -3.450 -11.468 -2.443 1.00 0.00 C ATOM 907 CG GLU A 59 -2.607 -12.502 -1.716 1.00 0.00 C ATOM 908 CD GLU A 59 -3.447 -13.507 -0.951 1.00 0.00 C ATOM 909 OE1 GLU A 59 -4.246 -14.222 -1.591 1.00 0.00 O ATOM 910 OE2 GLU A 59 -3.305 -13.578 0.288 1.00 0.00 O ATOM 0 H GLU A 59 -2.289 -8.895 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.100 -11.489 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.795 -10.724 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.337 -11.955 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.984 -13.030 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.934 -11.995 -1.024 1.00 0.00 H new ATOM 917 N MET A 60 -3.197 -9.414 -5.535 1.00 0.00 N ATOM 918 CA MET A 60 -4.047 -8.775 -6.533 1.00 0.00 C ATOM 919 C MET A 60 -4.966 -9.796 -7.197 1.00 0.00 C ATOM 920 O MET A 60 -5.939 -9.431 -7.858 1.00 0.00 O ATOM 921 CB MET A 60 -3.190 -8.079 -7.593 1.00 0.00 C ATOM 922 CG MET A 60 -2.626 -6.743 -7.136 1.00 0.00 C ATOM 923 SD MET A 60 -3.782 -5.381 -7.379 1.00 0.00 S ATOM 924 CE MET A 60 -4.534 -5.282 -5.756 1.00 0.00 C ATOM 0 H MET A 60 -2.199 -9.246 -5.661 1.00 0.00 H new ATOM 0 HA MET A 60 -4.663 -8.031 -6.028 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.366 -8.736 -7.871 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.790 -7.923 -8.489 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.362 -6.806 -6.080 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.706 -6.535 -7.682 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.618 -5.236 -5.859 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.262 -6.163 -5.175 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.180 -4.387 -5.245 1.00 0.00 H new ATOM 934 N HIS A 61 -4.652 -11.075 -7.016 1.00 0.00 N ATOM 935 CA HIS A 61 -5.451 -12.148 -7.598 1.00 0.00 C ATOM 936 C HIS A 61 -6.941 -11.885 -7.397 1.00 0.00 C ATOM 937 O HIS A 61 -7.731 -11.992 -8.334 1.00 0.00 O ATOM 938 CB HIS A 61 -5.069 -13.491 -6.975 1.00 0.00 C ATOM 939 CG HIS A 61 -3.611 -13.813 -7.093 1.00 0.00 C ATOM 940 ND1 HIS A 61 -2.704 -13.575 -6.082 1.00 0.00 N ATOM 941 CD2 HIS A 61 -2.904 -14.358 -8.110 1.00 0.00 C ATOM 942 CE1 HIS A 61 -1.502 -13.959 -6.472 1.00 0.00 C ATOM 943 NE2 HIS A 61 -1.596 -14.438 -7.699 1.00 0.00 N ATOM 0 H HIS A 61 -3.851 -11.394 -6.471 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.247 -12.182 -8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.347 -13.486 -5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.647 -14.282 -7.453 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.295 -14.672 -9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.597 -13.893 -5.887 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.823 -14.807 -8.252 1.00 0.00 H new ATOM 952 N ASN A 62 -7.316 -11.543 -6.169 1.00 0.00 N ATOM 953 CA ASN A 62 -8.711 -11.267 -5.845 1.00 0.00 C ATOM 954 C ASN A 62 -9.044 -9.797 -6.082 1.00 0.00 C ATOM 955 O ASN A 62 -10.019 -9.472 -6.760 1.00 0.00 O ATOM 956 CB ASN A 62 -9.002 -11.640 -4.390 1.00 0.00 C ATOM 957 CG ASN A 62 -7.921 -11.157 -3.443 1.00 0.00 C ATOM 958 OD1 ASN A 62 -7.687 -9.956 -3.310 1.00 0.00 O ATOM 959 ND2 ASN A 62 -7.255 -12.095 -2.778 1.00 0.00 N ATOM 0 H ASN A 62 -6.674 -11.450 -5.382 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.337 -11.873 -6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.960 -11.212 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.097 -12.723 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.516 -11.831 -2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.483 -13.079 -2.919 1.00 0.00 H new ATOM 966 N TYR A 63 -8.228 -8.913 -5.519 1.00 0.00 N ATOM 967 CA TYR A 63 -8.436 -7.478 -5.667 1.00 0.00 C ATOM 968 C TYR A 63 -8.573 -7.096 -7.138 1.00 0.00 C ATOM 969 O TYR A 63 -7.700 -7.395 -7.953 1.00 0.00 O ATOM 970 CB TYR A 63 -7.277 -6.705 -5.034 1.00 0.00 C ATOM 971 CG TYR A 63 -7.110 -6.970 -3.555 1.00 0.00 C ATOM 972 CD1 TYR A 63 -8.054 -6.524 -2.638 1.00 0.00 C ATOM 973 CD2 TYR A 63 -6.008 -7.667 -3.074 1.00 0.00 C ATOM 974 CE1 TYR A 63 -7.905 -6.762 -1.286 1.00 0.00 C ATOM 975 CE2 TYR A 63 -5.852 -7.911 -1.723 1.00 0.00 C ATOM 976 CZ TYR A 63 -6.802 -7.457 -0.833 1.00 0.00 C ATOM 977 OH TYR A 63 -6.651 -7.698 0.513 1.00 0.00 O ATOM 0 H TYR A 63 -7.416 -9.165 -4.956 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.362 -7.216 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.352 -6.967 -5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.436 -5.638 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.920 -5.982 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.261 -8.024 -3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.647 -6.406 -0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.990 -8.455 -1.366 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.480 -8.078 0.872 1.00 0.00 H new ATOM 987 N VAL A 64 -9.676 -6.432 -7.470 1.00 0.00 N ATOM 988 CA VAL A 64 -9.928 -6.006 -8.841 1.00 0.00 C ATOM 989 C VAL A 64 -10.375 -4.550 -8.891 1.00 0.00 C ATOM 990 O VAL A 64 -11.172 -4.091 -8.073 1.00 0.00 O ATOM 991 CB VAL A 64 -11.001 -6.885 -9.513 1.00 0.00 C ATOM 992 CG1 VAL A 64 -11.293 -6.388 -10.920 1.00 0.00 C ATOM 993 CG2 VAL A 64 -10.561 -8.340 -9.533 1.00 0.00 C ATOM 0 H VAL A 64 -10.409 -6.178 -6.808 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.989 -6.113 -9.384 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.920 -6.816 -8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.053 -7.021 -11.379 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.655 -5.361 -10.875 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.381 -6.426 -11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.330 -8.946 -10.011 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.629 -8.431 -10.091 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.408 -8.688 -8.511 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.852 -3.804 -9.875 1.00 0.00 N ATOM 1004 CA PRO A 65 -10.183 -2.387 -10.057 1.00 0.00 C ATOM 1005 C PRO A 65 -11.618 -2.184 -10.533 1.00 0.00 C ATOM 1006 O PRO A 65 -12.044 -2.782 -11.521 1.00 0.00 O ATOM 1007 CB PRO A 65 -9.193 -1.926 -11.129 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.851 -3.163 -11.886 1.00 0.00 C ATOM 1009 CD PRO A 65 -8.896 -4.285 -10.887 1.00 0.00 C ATOM 0 HA PRO A 65 -10.112 -1.828 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.637 -1.173 -11.780 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.306 -1.477 -10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.560 -3.333 -12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.863 -3.083 -12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.230 -5.217 -11.344 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.914 -4.476 -10.453 1.00 0.00 H new ATOM 1017 N ALA A 66 -12.357 -1.337 -9.824 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.743 -1.054 -10.177 1.00 0.00 C ATOM 1019 C ALA A 66 -13.997 0.449 -10.239 1.00 0.00 C ATOM 1020 O ALA A 66 -13.127 1.249 -9.900 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.686 -1.710 -9.179 1.00 0.00 C ATOM 0 H ALA A 66 -12.020 -0.835 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.933 -1.470 -11.167 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.717 -1.491 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.530 -2.789 -9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.487 -1.321 -8.180 1.00 0.00 H new ATOM 1027 N ASN A 67 -15.195 0.824 -10.674 1.00 0.00 N ATOM 1028 CA ASN A 67 -15.564 2.231 -10.782 1.00 0.00 C ATOM 1029 C ASN A 67 -16.779 2.543 -9.914 1.00 0.00 C ATOM 1030 O ASN A 67 -17.683 3.267 -10.332 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.857 2.592 -12.239 1.00 0.00 C ATOM 1032 CG ASN A 67 -14.596 2.903 -13.023 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -13.683 3.556 -12.518 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -14.541 2.435 -14.265 1.00 0.00 N ATOM 0 H ASN A 67 -15.927 0.173 -10.958 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.724 2.830 -10.428 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.384 1.766 -12.716 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.523 3.455 -12.270 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.718 2.612 -14.841 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.322 1.898 -14.643 1.00 0.00 H new ATOM 1041 N SER A 68 -16.793 1.993 -8.705 1.00 0.00 N ATOM 1042 CA SER A 68 -17.898 2.210 -7.779 1.00 0.00 C ATOM 1043 C SER A 68 -17.404 2.218 -6.335 1.00 0.00 C ATOM 1044 O SER A 68 -16.676 1.319 -5.910 1.00 0.00 O ATOM 1045 CB SER A 68 -18.963 1.126 -7.959 1.00 0.00 C ATOM 1046 OG SER A 68 -19.557 1.203 -9.243 1.00 0.00 O ATOM 0 H SER A 68 -16.051 1.393 -8.343 1.00 0.00 H new ATOM 0 HA SER A 68 -18.338 3.182 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.513 0.143 -7.822 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.730 1.235 -7.193 1.00 0.00 H new ATOM 0 HG SER A 68 -20.233 0.499 -9.334 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.804 3.239 -5.585 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.403 3.366 -4.189 1.00 0.00 C ATOM 1054 C LEU A 69 -17.621 2.056 -3.438 1.00 0.00 C ATOM 1055 O LEU A 69 -16.741 1.591 -2.713 1.00 0.00 O ATOM 1056 CB LEU A 69 -18.187 4.491 -3.512 1.00 0.00 C ATOM 1057 CG LEU A 69 -18.102 5.864 -4.180 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -19.086 6.831 -3.539 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -16.684 6.410 -4.098 1.00 0.00 C ATOM 0 H LEU A 69 -18.406 3.991 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.340 3.606 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -19.236 4.197 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.834 4.586 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.367 5.753 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.011 7.803 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -20.100 6.446 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.853 6.938 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.642 7.388 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.391 6.507 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.001 5.727 -4.604 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.797 1.465 -3.620 1.00 0.00 N ATOM 1072 CA GLN A 70 -19.130 0.207 -2.960 1.00 0.00 C ATOM 1073 C GLN A 70 -17.954 -0.762 -3.012 1.00 0.00 C ATOM 1074 O GLN A 70 -17.539 -1.304 -1.988 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.358 -0.427 -3.615 1.00 0.00 C ATOM 1076 CG GLN A 70 -21.177 -1.288 -2.667 1.00 0.00 C ATOM 1077 CD GLN A 70 -22.643 -1.344 -3.048 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -23.475 -0.647 -2.467 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -22.968 -2.177 -4.030 1.00 0.00 N ATOM 0 H GLN A 70 -19.535 1.836 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.355 0.422 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.994 0.362 -4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.035 -1.037 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -20.769 -2.299 -2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -21.084 -0.896 -1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -22.246 -2.736 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -23.940 -2.257 -4.330 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.421 -0.975 -4.212 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.293 -1.881 -4.396 1.00 0.00 C ATOM 1090 C GLN A 71 -15.040 -1.334 -3.720 1.00 0.00 C ATOM 1091 O GLN A 71 -14.384 -2.032 -2.946 1.00 0.00 O ATOM 1092 CB GLN A 71 -16.028 -2.101 -5.886 1.00 0.00 C ATOM 1093 CG GLN A 71 -15.040 -3.222 -6.169 1.00 0.00 C ATOM 1094 CD GLN A 71 -15.620 -4.595 -5.891 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -16.810 -4.833 -6.099 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -14.779 -5.508 -5.419 1.00 0.00 N ATOM 0 H GLN A 71 -17.752 -0.533 -5.070 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.546 -2.835 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.971 -2.324 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.649 -1.176 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.725 -3.169 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.148 -3.078 -5.559 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.800 -5.267 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.112 -6.450 -5.214 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.713 -0.081 -4.017 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.539 0.561 -3.438 1.00 0.00 C ATOM 1107 C LYS A 72 -13.396 0.203 -1.962 1.00 0.00 C ATOM 1108 O LYS A 72 -12.407 -0.407 -1.553 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.631 2.080 -3.599 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.696 2.535 -5.047 1.00 0.00 C ATOM 1111 CD LYS A 72 -12.364 2.343 -5.752 1.00 0.00 C ATOM 1112 CE LYS A 72 -12.551 2.116 -7.244 1.00 0.00 C ATOM 1113 NZ LYS A 72 -11.248 1.974 -7.951 1.00 0.00 N ATOM 0 H LYS A 72 -15.245 0.510 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.659 0.199 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.516 2.440 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.767 2.541 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.470 1.975 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.981 3.586 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.737 3.220 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.840 1.492 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.150 1.219 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.107 2.950 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.416 1.671 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.752 2.888 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.665 1.264 -7.464 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.389 0.586 -1.166 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.374 0.304 0.265 1.00 0.00 C ATOM 1129 C LEU A 73 -14.253 -1.194 0.524 1.00 0.00 C ATOM 1130 O LEU A 73 -13.406 -1.633 1.301 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.644 0.846 0.924 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.639 2.336 1.264 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -17.058 2.836 1.493 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.775 2.602 2.488 1.00 0.00 C ATOM 0 H LEU A 73 -15.214 1.092 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.506 0.800 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.486 0.648 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.821 0.285 1.841 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.215 2.880 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.035 3.899 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.648 2.681 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.509 2.286 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.784 3.668 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.169 2.047 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.752 2.282 2.288 1.00 0.00 H new ATOM 1146 N SER A 74 -15.104 -1.974 -0.135 1.00 0.00 N ATOM 1147 CA SER A 74 -15.093 -3.424 0.025 1.00 0.00 C ATOM 1148 C SER A 74 -13.664 -3.958 0.044 1.00 0.00 C ATOM 1149 O SER A 74 -13.254 -4.630 0.989 1.00 0.00 O ATOM 1150 CB SER A 74 -15.883 -4.089 -1.104 1.00 0.00 C ATOM 1151 OG SER A 74 -15.947 -5.493 -0.924 1.00 0.00 O ATOM 0 H SER A 74 -15.810 -1.627 -0.785 1.00 0.00 H new ATOM 0 HA SER A 74 -15.564 -3.663 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.892 -3.677 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.414 -3.863 -2.062 1.00 0.00 H new ATOM 0 HG SER A 74 -16.458 -5.894 -1.658 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.911 -3.652 -1.008 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.527 -4.101 -1.113 1.00 0.00 C ATOM 1159 C ASN A 75 -10.726 -3.688 0.118 1.00 0.00 C ATOM 1160 O ASN A 75 -10.087 -4.520 0.763 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.878 -3.528 -2.374 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.497 -4.078 -3.645 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.344 -4.970 -3.600 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -11.075 -3.547 -4.786 1.00 0.00 N ATOM 0 H ASN A 75 -13.235 -3.096 -1.799 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.528 -5.189 -1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.974 -2.442 -2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.812 -3.754 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.455 -3.877 -5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.371 -2.809 -4.775 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.765 -2.400 0.437 1.00 0.00 N ATOM 1172 CA TRP A 76 -10.043 -1.876 1.591 1.00 0.00 C ATOM 1173 C TRP A 76 -10.203 -2.796 2.796 1.00 0.00 C ATOM 1174 O TRP A 76 -9.227 -3.358 3.294 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.542 -0.472 1.937 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.811 0.614 1.207 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -10.268 1.338 0.144 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.492 1.097 1.487 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -9.313 2.242 -0.255 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -8.215 2.115 0.554 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.520 0.770 2.436 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -7.006 2.806 0.544 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -6.321 1.456 2.424 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -6.072 2.465 1.484 1.00 0.00 C ATOM 0 H TRP A 76 -11.289 -1.699 -0.087 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.985 -1.825 1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.605 -0.404 1.705 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.439 -0.312 3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.238 1.218 -0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -9.407 2.901 -1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.703 -0.005 3.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.812 3.584 -0.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.562 1.210 3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -5.125 2.983 1.502 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.439 -2.947 3.261 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.703 -3.801 4.405 1.00 0.00 C ATOM 1197 C GLY A 77 -10.909 -5.092 4.359 1.00 0.00 C ATOM 1198 O GLY A 77 -10.370 -5.534 5.375 1.00 0.00 O ATOM 0 H GLY A 77 -12.263 -2.493 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.461 -3.262 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.767 -4.033 4.443 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.838 -5.700 3.179 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.106 -6.950 3.006 1.00 0.00 C ATOM 1204 C HIS A 78 -8.602 -6.716 3.111 1.00 0.00 C ATOM 1205 O HIS A 78 -7.879 -7.516 3.707 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.443 -7.580 1.654 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.906 -7.561 1.333 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -12.395 -7.653 0.047 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.988 -7.462 2.140 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -13.715 -7.610 0.077 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -14.100 -7.494 1.335 1.00 0.00 N ATOM 0 H HIS A 78 -11.278 -5.348 2.329 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.407 -7.632 3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -9.900 -7.051 0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.091 -8.611 1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.979 -7.374 3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -14.368 -7.661 -0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -15.066 -7.437 1.656 1.00 0.00 H new ATOM 1220 N LEU A 79 -8.136 -5.617 2.528 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.718 -5.279 2.555 1.00 0.00 C ATOM 1222 C LEU A 79 -6.277 -4.892 3.963 1.00 0.00 C ATOM 1223 O LEU A 79 -5.084 -4.791 4.245 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.428 -4.133 1.585 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.965 -3.950 1.179 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.605 -4.891 0.040 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.697 -2.505 0.784 1.00 0.00 C ATOM 0 H LEU A 79 -8.720 -4.945 2.031 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.154 -6.159 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.018 -4.290 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.778 -3.204 2.036 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.338 -4.194 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.560 -4.746 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.757 -5.922 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.239 -4.680 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.651 -2.394 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.334 -2.234 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.914 -1.851 1.628 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.249 -4.680 4.844 1.00 0.00 N ATOM 1240 CA ASN A 80 -6.961 -4.306 6.224 1.00 0.00 C ATOM 1241 C ASN A 80 -6.584 -5.531 7.052 1.00 0.00 C ATOM 1242 O ASN A 80 -5.768 -5.444 7.971 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.171 -3.607 6.848 1.00 0.00 C ATOM 1244 CG ASN A 80 -7.908 -3.158 8.273 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -8.166 -1.885 8.549 1.00 0.00 O flip ATOM 1246 ND2 ASN A 80 -7.478 -3.947 9.115 1.00 0.00 N flip ATOM 0 H ASN A 80 -8.242 -4.761 4.627 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.115 -3.618 6.219 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.440 -2.742 6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.025 -4.284 6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.294 -4.917 8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.306 -3.631 10.069 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.182 -6.670 6.720 1.00 0.00 N ATOM 1254 CA ARG A 81 -6.910 -7.912 7.433 1.00 0.00 C ATOM 1255 C ARG A 81 -6.025 -8.834 6.600 1.00 0.00 C ATOM 1256 O ARG A 81 -5.661 -9.926 7.038 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.219 -8.622 7.782 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.001 -7.946 8.897 1.00 0.00 C ATOM 1259 CD ARG A 81 -9.873 -8.940 9.647 1.00 0.00 C ATOM 1260 NE ARG A 81 -10.716 -8.284 10.643 1.00 0.00 N ATOM 1261 CZ ARG A 81 -11.830 -7.624 10.344 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -12.232 -7.533 9.084 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -12.544 -7.054 11.307 1.00 0.00 N ATOM 0 H ARG A 81 -7.858 -6.759 5.962 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.382 -7.665 8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.844 -8.672 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.999 -9.648 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.309 -7.471 9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.625 -7.156 8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.502 -9.478 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.240 -9.680 10.138 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.434 -8.335 11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.686 -7.970 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.087 -7.026 8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.238 -7.122 12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.399 -6.548 11.076 1.00 0.00 H new ATOM 1277 N LYS A 82 -5.682 -8.388 5.396 1.00 0.00 N ATOM 1278 CA LYS A 82 -4.840 -9.171 4.500 1.00 0.00 C ATOM 1279 C LYS A 82 -3.449 -8.556 4.385 1.00 0.00 C ATOM 1280 O LYS A 82 -2.462 -9.261 4.172 1.00 0.00 O ATOM 1281 CB LYS A 82 -5.483 -9.268 3.115 1.00 0.00 C ATOM 1282 CG LYS A 82 -6.514 -10.377 2.999 1.00 0.00 C ATOM 1283 CD LYS A 82 -6.574 -10.938 1.588 1.00 0.00 C ATOM 1284 CE LYS A 82 -7.845 -11.742 1.361 1.00 0.00 C ATOM 1285 NZ LYS A 82 -8.965 -10.885 0.882 1.00 0.00 N ATOM 0 H LYS A 82 -5.975 -7.487 5.018 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.742 -10.173 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.957 -8.316 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.702 -9.430 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.270 -11.176 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.495 -9.994 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.526 -10.121 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.705 -11.571 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.652 -12.529 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.135 -12.233 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.726 -10.881 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.622 -9.914 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.330 -11.261 -0.016 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.377 -7.236 4.528 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.107 -6.526 4.442 1.00 0.00 C ATOM 1301 C VAL A 83 -1.747 -5.880 5.775 1.00 0.00 C ATOM 1302 O VAL A 83 -0.853 -6.346 6.483 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.143 -5.439 3.351 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.893 -4.576 3.414 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.295 -6.071 1.975 1.00 0.00 C ATOM 0 H VAL A 83 -4.184 -6.637 4.704 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.349 -7.265 4.183 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.007 -4.798 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.937 -3.814 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.832 -4.094 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.012 -5.200 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.319 -5.289 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.452 -6.736 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.223 -6.642 1.937 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.449 -4.804 6.113 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.204 -4.092 7.363 1.00 0.00 C ATOM 1317 C LEU A 84 -1.983 -5.071 8.512 1.00 0.00 C ATOM 1318 O LEU A 84 -0.967 -5.013 9.204 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.380 -3.167 7.684 1.00 0.00 C ATOM 1320 CG LEU A 84 -3.849 -2.259 6.547 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.008 -1.386 7.005 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.699 -1.399 6.042 1.00 0.00 C ATOM 0 H LEU A 84 -3.192 -4.405 5.539 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.301 -3.493 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.222 -3.781 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.103 -2.540 8.532 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.195 -2.887 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.329 -0.746 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.839 -2.019 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.688 -0.767 7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.051 -0.759 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.323 -0.780 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.899 -2.041 5.674 1.00 0.00 H new ATOM 1334 N LYS A 85 -2.941 -5.971 8.708 1.00 0.00 N ATOM 1335 CA LYS A 85 -2.851 -6.965 9.771 1.00 0.00 C ATOM 1336 C LYS A 85 -1.441 -7.540 9.860 1.00 0.00 C ATOM 1337 O LYS A 85 -0.900 -7.717 10.951 1.00 0.00 O ATOM 1338 CB LYS A 85 -3.858 -8.092 9.530 1.00 0.00 C ATOM 1339 CG LYS A 85 -3.498 -9.390 10.232 1.00 0.00 C ATOM 1340 CD LYS A 85 -4.738 -10.191 10.593 1.00 0.00 C ATOM 1341 CE LYS A 85 -4.429 -11.256 11.634 1.00 0.00 C ATOM 1342 NZ LYS A 85 -5.546 -12.230 11.779 1.00 0.00 N ATOM 0 H LYS A 85 -3.789 -6.032 8.144 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.084 -6.473 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.842 -7.767 9.868 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.934 -8.277 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.853 -9.987 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.930 -9.170 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.508 -9.520 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.142 -10.663 9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.519 -11.786 11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.236 -10.779 12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.297 -12.939 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.408 -11.728 12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.714 -12.704 10.868 1.00 0.00 H new ATOM 1356 N ARG A 86 -0.850 -7.828 8.704 1.00 0.00 N ATOM 1357 CA ARG A 86 0.497 -8.383 8.653 1.00 0.00 C ATOM 1358 C ARG A 86 1.529 -7.347 9.091 1.00 0.00 C ATOM 1359 O ARG A 86 2.523 -7.679 9.737 1.00 0.00 O ATOM 1360 CB ARG A 86 0.817 -8.870 7.238 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.130 -9.948 6.737 1.00 0.00 C ATOM 1362 CD ARG A 86 0.348 -11.337 7.132 1.00 0.00 C ATOM 1363 NE ARG A 86 -0.115 -12.360 6.198 1.00 0.00 N ATOM 1364 CZ ARG A 86 -1.377 -12.767 6.120 1.00 0.00 C ATOM 1365 NH1 ARG A 86 -2.297 -12.240 6.916 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -1.721 -13.703 5.245 1.00 0.00 N ATOM 0 H ARG A 86 -1.283 -7.686 7.791 1.00 0.00 H new ATOM 0 HA ARG A 86 0.541 -9.228 9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.783 -8.022 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.836 -9.255 7.217 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.127 -9.776 7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.213 -9.885 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.437 -11.348 7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.010 -11.572 8.134 1.00 0.00 H new ATOM 0 HE ARG A 86 0.568 -12.785 5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.036 -11.520 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.265 -12.554 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.016 -14.111 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.690 -14.015 5.186 1.00 0.00 H new ATOM 1380 N LEU A 87 1.285 -6.090 8.734 1.00 0.00 N ATOM 1381 CA LEU A 87 2.193 -5.005 9.090 1.00 0.00 C ATOM 1382 C LEU A 87 1.877 -4.464 10.481 1.00 0.00 C ATOM 1383 O LEU A 87 2.105 -3.290 10.767 1.00 0.00 O ATOM 1384 CB LEU A 87 2.101 -3.878 8.059 1.00 0.00 C ATOM 1385 CG LEU A 87 2.604 -4.211 6.654 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.925 -3.326 5.621 1.00 0.00 C ATOM 1387 CD2 LEU A 87 4.116 -4.058 6.579 1.00 0.00 C ATOM 0 H LEU A 87 0.467 -5.798 8.199 1.00 0.00 H new ATOM 0 HA LEU A 87 3.208 -5.401 9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.060 -3.564 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.666 -3.024 8.433 1.00 0.00 H new ATOM 0 HG LEU A 87 2.353 -5.249 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.295 -3.577 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.847 -3.485 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.145 -2.280 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.457 -4.299 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.390 -3.031 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.586 -4.735 7.293 1.00 0.00 H new ATOM 1399 N ASN A 88 1.353 -5.331 11.342 1.00 0.00 N ATOM 1400 CA ASN A 88 1.007 -4.940 12.704 1.00 0.00 C ATOM 1401 C ASN A 88 0.321 -3.577 12.722 1.00 0.00 C ATOM 1402 O ASN A 88 0.369 -2.859 13.721 1.00 0.00 O ATOM 1403 CB ASN A 88 2.260 -4.905 13.580 1.00 0.00 C ATOM 1404 CG ASN A 88 3.144 -6.120 13.375 1.00 0.00 C ATOM 1405 OD1 ASN A 88 4.359 -5.998 13.217 1.00 0.00 O ATOM 1406 ND2 ASN A 88 2.536 -7.300 13.377 1.00 0.00 N ATOM 0 H ASN A 88 1.159 -6.308 11.121 1.00 0.00 H new ATOM 0 HA ASN A 88 0.314 -5.680 13.103 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.830 -4.003 13.358 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.966 -4.846 14.628 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.078 -8.153 13.244 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.526 -7.353 13.512 1.00 0.00 H new ATOM 1413 N PHE A 89 -0.317 -3.228 11.610 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.013 -1.951 11.497 1.00 0.00 C ATOM 1415 C PHE A 89 -2.515 -2.131 11.694 1.00 0.00 C ATOM 1416 O PHE A 89 -3.006 -3.253 11.822 1.00 0.00 O ATOM 1417 CB PHE A 89 -0.739 -1.316 10.132 1.00 0.00 C ATOM 1418 CG PHE A 89 -0.830 0.184 10.140 1.00 0.00 C ATOM 1419 CD1 PHE A 89 0.015 0.938 10.938 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -1.761 0.838 9.350 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -0.067 2.318 10.947 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -1.847 2.218 9.355 1.00 0.00 C ATOM 1423 CZ PHE A 89 -0.999 2.958 10.155 1.00 0.00 C ATOM 0 H PHE A 89 -0.367 -3.811 10.774 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.638 -1.291 12.279 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.255 -1.610 9.796 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.450 -1.711 9.407 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.746 0.442 11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.427 0.264 8.723 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.598 2.895 11.573 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.577 2.717 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.065 4.036 10.161 1.00 0.00 H new ATOM 1433 N SER A 90 -3.241 -1.017 11.718 1.00 0.00 N ATOM 1434 CA SER A 90 -4.686 -1.050 11.904 1.00 0.00 C ATOM 1435 C SER A 90 -5.312 0.293 11.542 1.00 0.00 C ATOM 1436 O SER A 90 -4.864 1.344 12.002 1.00 0.00 O ATOM 1437 CB SER A 90 -5.028 -1.411 13.351 1.00 0.00 C ATOM 1438 OG SER A 90 -4.430 -2.641 13.725 1.00 0.00 O ATOM 0 H SER A 90 -2.851 -0.081 11.611 1.00 0.00 H new ATOM 0 HA SER A 90 -5.095 -1.812 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.686 -0.619 14.017 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.110 -1.479 13.466 1.00 0.00 H new ATOM 0 HG SER A 90 -4.255 -3.177 12.923 1.00 0.00 H new ATOM 1444 N VAL A 91 -6.350 0.252 10.714 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.039 1.465 10.289 1.00 0.00 C ATOM 1446 C VAL A 91 -8.542 1.351 10.517 1.00 0.00 C ATOM 1447 O VAL A 91 -9.173 0.351 10.173 1.00 0.00 O ATOM 1448 CB VAL A 91 -6.777 1.768 8.802 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -7.819 2.736 8.263 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.374 2.323 8.612 1.00 0.00 C ATOM 0 H VAL A 91 -6.733 -0.609 10.323 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.644 2.282 10.893 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.855 0.837 8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.618 2.938 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.811 2.296 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.776 3.668 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.205 2.532 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.266 3.244 9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.644 1.592 8.959 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.132 2.400 11.109 1.00 0.00 N ATOM 1461 CA PRO A 92 -10.570 2.443 11.394 1.00 0.00 C ATOM 1462 C PRO A 92 -11.409 2.561 10.127 1.00 0.00 C ATOM 1463 O PRO A 92 -10.892 2.878 9.055 1.00 0.00 O ATOM 1464 CB PRO A 92 -10.723 3.698 12.256 1.00 0.00 C ATOM 1465 CG PRO A 92 -9.571 4.562 11.875 1.00 0.00 C ATOM 1466 CD PRO A 92 -8.442 3.625 11.545 1.00 0.00 C ATOM 0 HA PRO A 92 -10.917 1.531 11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.673 4.197 12.064 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.701 3.454 13.318 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.820 5.190 11.019 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.298 5.230 12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.803 4.027 10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.806 3.441 12.411 1.00 0.00 H new ATOM 1474 N ASP A 93 -12.706 2.306 10.256 1.00 0.00 N ATOM 1475 CA ASP A 93 -13.618 2.386 9.121 1.00 0.00 C ATOM 1476 C ASP A 93 -13.963 3.837 8.801 1.00 0.00 C ATOM 1477 O ASP A 93 -14.414 4.150 7.700 1.00 0.00 O ATOM 1478 CB ASP A 93 -14.896 1.596 9.409 1.00 0.00 C ATOM 1479 CG ASP A 93 -15.913 1.712 8.290 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -15.512 1.606 7.112 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -17.108 1.909 8.593 1.00 0.00 O ATOM 0 H ASP A 93 -13.150 2.042 11.136 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.119 1.951 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.644 0.546 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.340 1.954 10.338 1.00 0.00 H new ATOM 1486 N ASP A 94 -13.748 4.718 9.772 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.036 6.136 9.595 1.00 0.00 C ATOM 1488 C ASP A 94 -13.006 6.789 8.678 1.00 0.00 C ATOM 1489 O ASP A 94 -13.324 7.715 7.931 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.054 6.848 10.949 1.00 0.00 C ATOM 1491 CG ASP A 94 -15.148 6.328 11.861 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -16.246 6.016 11.353 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -14.906 6.232 13.082 1.00 0.00 O ATOM 0 H ASP A 94 -13.375 4.475 10.690 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.019 6.227 9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.087 6.721 11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.193 7.918 10.792 1.00 0.00 H new ATOM 1498 N VAL A 95 -11.771 6.301 8.740 1.00 0.00 N ATOM 1499 CA VAL A 95 -10.695 6.837 7.915 1.00 0.00 C ATOM 1500 C VAL A 95 -10.748 6.265 6.503 1.00 0.00 C ATOM 1501 O VAL A 95 -10.331 6.913 5.544 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.315 6.535 8.528 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.219 6.701 7.486 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.058 7.431 9.730 1.00 0.00 C ATOM 0 H VAL A 95 -11.491 5.535 9.353 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.837 7.917 7.872 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.307 5.499 8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.251 6.483 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.396 6.013 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.223 7.725 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.078 7.204 10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.086 8.475 9.418 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.826 7.257 10.484 1.00 0.00 H new ATOM 1514 N MET A 96 -11.264 5.046 6.383 1.00 0.00 N ATOM 1515 CA MET A 96 -11.373 4.387 5.087 1.00 0.00 C ATOM 1516 C MET A 96 -12.420 5.072 4.215 1.00 0.00 C ATOM 1517 O MET A 96 -12.160 5.397 3.056 1.00 0.00 O ATOM 1518 CB MET A 96 -11.733 2.911 5.270 1.00 0.00 C ATOM 1519 CG MET A 96 -10.616 2.086 5.889 1.00 0.00 C ATOM 1520 SD MET A 96 -10.804 0.319 5.580 1.00 0.00 S ATOM 1521 CE MET A 96 -10.527 -0.343 7.221 1.00 0.00 C ATOM 0 H MET A 96 -11.613 4.495 7.167 1.00 0.00 H new ATOM 0 HA MET A 96 -10.406 4.459 4.589 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.620 2.837 5.899 1.00 0.00 H new ATOM 0 HB3 MET A 96 -11.993 2.486 4.301 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.658 2.421 5.490 1.00 0.00 H new ATOM 0 HG3 MET A 96 -10.592 2.262 6.964 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.469 -1.430 7.170 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.593 0.052 7.620 1.00 0.00 H new ATOM 0 HE3 MET A 96 -11.351 -0.054 7.874 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.604 5.289 4.779 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.690 5.935 4.051 1.00 0.00 C ATOM 1533 C ARG A 97 -14.196 7.190 3.338 1.00 0.00 C ATOM 1534 O ARG A 97 -14.473 7.396 2.157 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.830 6.293 5.007 1.00 0.00 C ATOM 1536 CG ARG A 97 -15.676 7.660 5.653 1.00 0.00 C ATOM 1537 CD ARG A 97 -16.904 8.032 6.469 1.00 0.00 C ATOM 1538 NE ARG A 97 -16.600 9.029 7.492 1.00 0.00 N ATOM 1539 CZ ARG A 97 -16.354 10.307 7.222 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -16.377 10.739 5.969 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -16.086 11.154 8.207 1.00 0.00 N ATOM 0 H ARG A 97 -13.836 5.027 5.737 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.059 5.235 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.773 6.262 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -15.889 5.536 5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -14.796 7.663 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -15.509 8.412 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.677 8.418 5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.309 7.138 6.943 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.575 8.728 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.584 10.090 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.188 11.720 5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.069 10.825 9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.897 12.135 7.999 1.00 0.00 H new ATOM 1555 N LYS A 98 -13.463 8.027 4.065 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.929 9.262 3.503 1.00 0.00 C ATOM 1557 C LYS A 98 -12.090 8.977 2.262 1.00 0.00 C ATOM 1558 O LYS A 98 -12.308 9.570 1.205 1.00 0.00 O ATOM 1559 CB LYS A 98 -12.083 9.996 4.546 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.898 10.590 5.682 1.00 0.00 C ATOM 1561 CD LYS A 98 -12.051 10.797 6.927 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.908 11.159 8.130 1.00 0.00 C ATOM 1563 NZ LYS A 98 -13.204 12.617 8.182 1.00 0.00 N ATOM 0 H LYS A 98 -13.225 7.872 5.045 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.769 9.894 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.350 9.303 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.526 10.793 4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.322 11.543 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.734 9.930 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.488 9.889 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.323 11.588 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.843 10.600 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -12.395 10.860 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.790 12.823 9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.313 13.150 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.716 12.898 7.321 1.00 0.00 H new ATOM 1577 N ILE A 99 -11.133 8.066 2.396 1.00 0.00 N ATOM 1578 CA ILE A 99 -10.264 7.702 1.284 1.00 0.00 C ATOM 1579 C ILE A 99 -11.077 7.363 0.039 1.00 0.00 C ATOM 1580 O ILE A 99 -10.882 7.956 -1.022 1.00 0.00 O ATOM 1581 CB ILE A 99 -9.367 6.501 1.640 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -8.540 6.807 2.891 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -8.459 6.153 0.470 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.947 5.576 3.539 1.00 0.00 C ATOM 0 H ILE A 99 -10.939 7.566 3.264 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.634 8.568 1.079 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.003 5.641 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.735 7.492 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.170 7.322 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.831 5.303 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.066 5.897 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.828 7.009 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.374 5.868 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.748 4.899 3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.290 5.072 2.830 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.990 6.408 0.178 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.836 5.993 -0.934 1.00 0.00 C ATOM 1598 C ALA A 100 -13.632 7.170 -1.488 1.00 0.00 C ATOM 1599 O ALA A 100 -14.036 7.166 -2.650 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.775 4.878 -0.496 1.00 0.00 C ATOM 0 H ALA A 100 -12.163 5.907 1.050 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.191 5.619 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -14.401 4.578 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -13.191 4.023 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -14.407 5.233 0.318 1.00 0.00 H new ATOM 1606 N GLN A 101 -13.854 8.176 -0.647 1.00 0.00 N ATOM 1607 CA GLN A 101 -14.603 9.359 -1.054 1.00 0.00 C ATOM 1608 C GLN A 101 -13.704 10.347 -1.789 1.00 0.00 C ATOM 1609 O GLN A 101 -14.119 11.462 -2.106 1.00 0.00 O ATOM 1610 CB GLN A 101 -15.232 10.034 0.167 1.00 0.00 C ATOM 1611 CG GLN A 101 -16.625 9.522 0.494 1.00 0.00 C ATOM 1612 CD GLN A 101 -17.671 10.005 -0.491 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -17.754 11.196 -0.793 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -18.477 9.080 -1.000 1.00 0.00 N ATOM 0 H GLN A 101 -13.526 8.195 0.319 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.394 9.042 -1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.585 9.880 1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.280 11.109 -0.007 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.615 8.432 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.900 9.845 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -18.373 8.104 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -19.200 9.346 -1.669 1.00 0.00 H new ATOM 1623 N CYS A 102 -12.471 9.931 -2.057 1.00 0.00 N ATOM 1624 CA CYS A 102 -11.512 10.780 -2.754 1.00 0.00 C ATOM 1625 C CYS A 102 -11.188 12.023 -1.932 1.00 0.00 C ATOM 1626 O CYS A 102 -11.250 13.145 -2.434 1.00 0.00 O ATOM 1627 CB CYS A 102 -12.060 11.187 -4.122 1.00 0.00 C ATOM 1628 SG CYS A 102 -10.785 11.607 -5.333 1.00 0.00 S ATOM 0 H CYS A 102 -12.112 9.011 -1.802 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.594 10.210 -2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.666 10.371 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.722 12.043 -3.996 1.00 0.00 H new ATOM 0 HG CYS A 102 -11.347 11.936 -6.458 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.844 11.816 -0.665 1.00 0.00 N ATOM 1635 CA ALA A 103 -10.510 12.919 0.226 1.00 0.00 C ATOM 1636 C ALA A 103 -9.000 13.097 0.339 1.00 0.00 C ATOM 1637 O ALA A 103 -8.275 12.199 0.768 1.00 0.00 O ATOM 1638 CB ALA A 103 -11.120 12.690 1.601 1.00 0.00 C ATOM 0 H ALA A 103 -10.790 10.894 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.926 13.833 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.862 13.522 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.204 12.621 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.731 11.763 2.022 1.00 0.00 H new ATOM 1644 N PRO A 104 -8.512 14.282 -0.057 1.00 0.00 N ATOM 1645 CA PRO A 104 -7.083 14.605 -0.010 1.00 0.00 C ATOM 1646 C PRO A 104 -6.570 14.760 1.418 1.00 0.00 C ATOM 1647 O PRO A 104 -7.171 15.459 2.232 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.996 15.939 -0.756 1.00 0.00 C ATOM 1649 CG PRO A 104 -8.347 16.547 -0.604 1.00 0.00 C ATOM 1650 CD PRO A 104 -9.317 15.399 -0.579 1.00 0.00 C ATOM 0 HA PRO A 104 -6.472 13.815 -0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.223 16.580 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.745 15.790 -1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.411 17.132 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.565 17.224 -1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.173 15.611 0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.708 15.182 -1.573 1.00 0.00 H new ATOM 1658 N GLY A 105 -5.453 14.102 1.715 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.878 14.180 3.045 1.00 0.00 C ATOM 1660 C GLY A 105 -5.012 12.879 3.812 1.00 0.00 C ATOM 1661 O GLY A 105 -4.014 12.244 4.152 1.00 0.00 O ATOM 0 H GLY A 105 -4.937 13.517 1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.824 14.445 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.367 14.979 3.603 1.00 0.00 H new ATOM 1665 N VAL A 106 -6.250 12.482 4.088 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.512 11.249 4.820 1.00 0.00 C ATOM 1667 C VAL A 106 -5.620 10.115 4.325 1.00 0.00 C ATOM 1668 O VAL A 106 -4.855 9.532 5.093 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.986 10.821 4.691 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.341 9.797 5.759 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.901 12.033 4.778 1.00 0.00 C ATOM 0 H VAL A 106 -7.087 12.997 3.816 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.291 11.451 5.868 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.127 10.356 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.386 9.507 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.707 8.918 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.185 10.232 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.939 11.713 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.759 12.528 5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.662 12.728 3.973 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.724 9.808 3.036 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.926 8.746 2.437 1.00 0.00 C ATOM 1683 C VAL A 107 -3.448 8.913 2.772 1.00 0.00 C ATOM 1684 O VAL A 107 -2.794 7.973 3.223 1.00 0.00 O ATOM 1685 CB VAL A 107 -5.093 8.713 0.906 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.702 10.051 0.297 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.271 7.584 0.304 1.00 0.00 C ATOM 0 H VAL A 107 -6.353 10.280 2.387 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.287 7.806 2.855 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.143 8.529 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.826 10.009 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.338 10.836 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.661 10.268 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.401 7.576 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.218 7.734 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.604 6.632 0.717 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.928 10.116 2.548 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.527 10.405 2.827 1.00 0.00 C ATOM 1699 C GLU A 108 -1.158 9.994 4.250 1.00 0.00 C ATOM 1700 O GLU A 108 -0.151 9.321 4.473 1.00 0.00 O ATOM 1701 CB GLU A 108 -1.241 11.895 2.624 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.872 12.255 1.195 1.00 0.00 C ATOM 1703 CD GLU A 108 -2.082 12.604 0.350 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -2.704 13.655 0.612 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -2.407 11.827 -0.571 1.00 0.00 O ATOM 0 H GLU A 108 -3.456 10.905 2.175 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.918 9.827 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.120 12.468 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.429 12.194 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.184 13.100 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.344 11.418 0.738 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.981 10.404 5.209 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.743 10.080 6.611 1.00 0.00 C ATOM 1714 C LEU A 109 -1.506 8.584 6.791 1.00 0.00 C ATOM 1715 O LEU A 109 -0.935 8.151 7.792 1.00 0.00 O ATOM 1716 CB LEU A 109 -2.929 10.527 7.467 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.194 12.033 7.512 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.497 12.323 8.240 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.035 12.759 8.179 1.00 0.00 C ATOM 0 H LEU A 109 -2.819 10.961 5.041 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.849 10.612 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.826 10.031 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.769 10.176 8.486 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.284 12.398 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.670 13.399 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.321 11.834 7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.436 11.944 9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.241 13.829 8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.913 12.391 9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.120 12.578 7.616 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.948 7.798 5.814 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.782 6.350 5.863 1.00 0.00 C ATOM 1733 C VAL A 110 -0.508 5.919 5.147 1.00 0.00 C ATOM 1734 O VAL A 110 0.074 4.880 5.462 1.00 0.00 O ATOM 1735 CB VAL A 110 -2.985 5.626 5.230 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.988 4.155 5.619 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.287 6.297 5.639 1.00 0.00 C ATOM 0 H VAL A 110 -2.424 8.140 4.979 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.714 6.074 6.915 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.896 5.690 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.845 3.660 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.069 3.685 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.052 4.066 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.126 5.772 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.387 6.266 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.283 7.334 5.304 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.077 6.724 4.181 1.00 0.00 N ATOM 1748 CA LEU A 111 1.130 6.426 3.419 1.00 0.00 C ATOM 1749 C LEU A 111 2.380 6.685 4.255 1.00 0.00 C ATOM 1750 O LEU A 111 3.361 5.946 4.167 1.00 0.00 O ATOM 1751 CB LEU A 111 1.173 7.269 2.143 1.00 0.00 C ATOM 1752 CG LEU A 111 0.015 7.066 1.165 1.00 0.00 C ATOM 1753 CD1 LEU A 111 0.133 8.025 -0.009 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.024 5.625 0.677 1.00 0.00 C ATOM 0 H LEU A 111 -0.546 7.588 3.908 1.00 0.00 H new ATOM 0 HA LEU A 111 1.108 5.370 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.202 8.321 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.105 7.054 1.621 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.918 7.277 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.700 7.866 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.111 9.052 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.072 7.846 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.854 5.499 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.912 5.387 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.158 4.956 1.527 1.00 0.00 H new ATOM 1766 N ILE A 112 2.336 7.736 5.066 1.00 0.00 N ATOM 1767 CA ILE A 112 3.463 8.090 5.920 1.00 0.00 C ATOM 1768 C ILE A 112 3.866 6.919 6.810 1.00 0.00 C ATOM 1769 O ILE A 112 5.004 6.450 6.784 1.00 0.00 O ATOM 1770 CB ILE A 112 3.138 9.307 6.806 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.527 10.603 6.093 1.00 0.00 C ATOM 1772 CG2 ILE A 112 3.855 9.195 8.143 1.00 0.00 C ATOM 1773 CD1 ILE A 112 2.943 11.843 6.732 1.00 0.00 C ATOM 0 H ILE A 112 1.532 8.358 5.150 1.00 0.00 H new ATOM 0 HA ILE A 112 4.292 8.344 5.260 1.00 0.00 H new ATOM 0 HB ILE A 112 2.064 9.326 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.614 10.689 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.198 10.550 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.615 10.062 8.758 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.533 8.288 8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.931 9.155 7.976 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.261 12.724 6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.855 11.780 6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.292 11.921 7.762 1.00 0.00 H new ATOM 1785 N PRO A 113 2.911 6.434 7.618 1.00 0.00 N ATOM 1786 CA PRO A 113 3.142 5.311 8.531 1.00 0.00 C ATOM 1787 C PRO A 113 3.324 3.990 7.790 1.00 0.00 C ATOM 1788 O PRO A 113 4.204 3.196 8.124 1.00 0.00 O ATOM 1789 CB PRO A 113 1.869 5.277 9.380 1.00 0.00 C ATOM 1790 CG PRO A 113 0.824 5.903 8.523 1.00 0.00 C ATOM 1791 CD PRO A 113 1.532 6.945 7.702 1.00 0.00 C ATOM 0 HA PRO A 113 4.055 5.439 9.112 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.600 4.256 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.000 5.828 10.311 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.347 5.160 7.884 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.038 6.352 9.131 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.082 7.053 6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.495 7.925 8.178 1.00 0.00 H new ATOM 1799 N LEU A 114 2.487 3.762 6.784 1.00 0.00 N ATOM 1800 CA LEU A 114 2.556 2.536 5.995 1.00 0.00 C ATOM 1801 C LEU A 114 4.001 2.190 5.653 1.00 0.00 C ATOM 1802 O LEU A 114 4.447 1.062 5.867 1.00 0.00 O ATOM 1803 CB LEU A 114 1.738 2.686 4.711 1.00 0.00 C ATOM 1804 CG LEU A 114 1.930 1.592 3.661 1.00 0.00 C ATOM 1805 CD1 LEU A 114 0.941 0.459 3.883 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.781 2.166 2.259 1.00 0.00 C ATOM 0 H LEU A 114 1.753 4.409 6.495 1.00 0.00 H new ATOM 0 HA LEU A 114 2.139 1.725 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.682 2.723 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 114 1.985 3.645 4.256 1.00 0.00 H new ATOM 0 HG LEU A 114 2.938 1.191 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.093 -0.310 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.096 0.030 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.076 0.844 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.921 1.373 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.785 2.595 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.530 2.942 2.102 1.00 0.00 H new ATOM 1818 N ARG A 115 4.729 3.167 5.122 1.00 0.00 N ATOM 1819 CA ARG A 115 6.125 2.965 4.752 1.00 0.00 C ATOM 1820 C ARG A 115 6.973 2.649 5.980 1.00 0.00 C ATOM 1821 O ARG A 115 7.805 1.742 5.953 1.00 0.00 O ATOM 1822 CB ARG A 115 6.672 4.208 4.047 1.00 0.00 C ATOM 1823 CG ARG A 115 8.160 4.133 3.748 1.00 0.00 C ATOM 1824 CD ARG A 115 8.993 4.460 4.978 1.00 0.00 C ATOM 1825 NE ARG A 115 10.320 4.957 4.624 1.00 0.00 N ATOM 1826 CZ ARG A 115 11.174 5.464 5.507 1.00 0.00 C ATOM 1827 NH1 ARG A 115 10.842 5.539 6.788 1.00 0.00 N ATOM 1828 NH2 ARG A 115 12.363 5.896 5.108 1.00 0.00 N ATOM 0 H ARG A 115 4.375 4.106 4.938 1.00 0.00 H new ATOM 0 HA ARG A 115 6.175 2.116 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 115 6.129 4.354 3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.478 5.082 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.411 3.134 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.406 4.828 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.474 5.207 5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 115 9.093 3.568 5.596 1.00 0.00 H new ATOM 0 HE ARG A 115 10.607 4.913 3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.929 5.207 7.098 1.00 0.00 H new ATOM 0 HH12 ARG A 115 11.500 5.929 7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 115 12.622 5.839 4.123 1.00 0.00 H new ATOM 0 HH22 ARG A 115 13.018 6.285 5.786 1.00 0.00 H new ATOM 1842 N GLN A 116 6.757 3.403 7.052 1.00 0.00 N ATOM 1843 CA GLN A 116 7.503 3.203 8.289 1.00 0.00 C ATOM 1844 C GLN A 116 7.408 1.753 8.753 1.00 0.00 C ATOM 1845 O GLN A 116 8.310 1.245 9.420 1.00 0.00 O ATOM 1846 CB GLN A 116 6.978 4.135 9.382 1.00 0.00 C ATOM 1847 CG GLN A 116 7.430 5.578 9.220 1.00 0.00 C ATOM 1848 CD GLN A 116 6.857 6.493 10.284 1.00 0.00 C ATOM 1849 OE1 GLN A 116 6.716 6.103 11.444 1.00 0.00 O ATOM 1850 NE2 GLN A 116 6.522 7.717 9.894 1.00 0.00 N ATOM 0 H GLN A 116 6.072 4.158 7.090 1.00 0.00 H new ATOM 0 HA GLN A 116 8.550 3.436 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.888 4.102 9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.309 3.766 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.519 5.620 9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.131 5.940 8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.656 7.997 8.923 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.130 8.377 10.566 1.00 0.00 H new ATOM 1859 N ARG A 117 6.312 1.092 8.396 1.00 0.00 N ATOM 1860 CA ARG A 117 6.100 -0.299 8.777 1.00 0.00 C ATOM 1861 C ARG A 117 6.842 -1.240 7.833 1.00 0.00 C ATOM 1862 O ARG A 117 7.673 -2.041 8.265 1.00 0.00 O ATOM 1863 CB ARG A 117 4.606 -0.629 8.773 1.00 0.00 C ATOM 1864 CG ARG A 117 3.771 0.316 9.622 1.00 0.00 C ATOM 1865 CD ARG A 117 3.859 -0.036 11.099 1.00 0.00 C ATOM 1866 NE ARG A 117 5.074 0.490 11.716 1.00 0.00 N ATOM 1867 CZ ARG A 117 5.375 0.330 13.000 1.00 0.00 C ATOM 1868 NH1 ARG A 117 4.554 -0.338 13.798 1.00 0.00 N ATOM 1869 NH2 ARG A 117 6.500 0.838 13.487 1.00 0.00 N ATOM 0 H ARG A 117 5.557 1.498 7.843 1.00 0.00 H new ATOM 0 HA ARG A 117 6.493 -0.438 9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.239 -0.602 7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.467 -1.648 9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.112 1.340 9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 117 2.731 0.275 9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.987 0.361 11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 117 3.833 -1.119 11.216 1.00 0.00 H new ATOM 0 HE ARG A 117 5.727 1.009 11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.689 -0.731 13.427 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.787 -0.460 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.134 1.352 12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.730 0.715 14.473 1.00 0.00 H new ATOM 1883 N LEU A 118 6.536 -1.140 6.545 1.00 0.00 N ATOM 1884 CA LEU A 118 7.174 -1.982 5.539 1.00 0.00 C ATOM 1885 C LEU A 118 8.675 -2.090 5.790 1.00 0.00 C ATOM 1886 O LEU A 118 9.246 -3.179 5.738 1.00 0.00 O ATOM 1887 CB LEU A 118 6.919 -1.422 4.139 1.00 0.00 C ATOM 1888 CG LEU A 118 5.472 -1.478 3.647 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.234 -0.431 2.570 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.140 -2.868 3.125 1.00 0.00 C ATOM 0 H LEU A 118 5.850 -0.484 6.172 1.00 0.00 H new ATOM 0 HA LEU A 118 6.740 -2.979 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.248 -0.383 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.544 -1.968 3.432 1.00 0.00 H new ATOM 0 HG LEU A 118 4.813 -1.261 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.199 -0.486 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.431 0.561 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.901 -0.617 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.107 -2.890 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.805 -3.114 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.270 -3.598 3.924 1.00 0.00 H new ATOM 1902 N GLU A 119 9.306 -0.953 6.065 1.00 0.00 N ATOM 1903 CA GLU A 119 10.741 -0.920 6.326 1.00 0.00 C ATOM 1904 C GLU A 119 11.088 -1.747 7.561 1.00 0.00 C ATOM 1905 O GLU A 119 12.031 -2.537 7.546 1.00 0.00 O ATOM 1906 CB GLU A 119 11.215 0.522 6.515 1.00 0.00 C ATOM 1907 CG GLU A 119 11.319 1.304 5.216 1.00 0.00 C ATOM 1908 CD GLU A 119 12.563 0.954 4.423 1.00 0.00 C ATOM 1909 OE1 GLU A 119 12.814 -0.251 4.212 1.00 0.00 O ATOM 1910 OE2 GLU A 119 13.286 1.886 4.013 1.00 0.00 O ATOM 0 H GLU A 119 8.847 -0.043 6.113 1.00 0.00 H new ATOM 0 HA GLU A 119 11.251 -1.352 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.527 1.037 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.189 0.514 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.437 1.108 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.322 2.371 5.438 1.00 0.00 H new ATOM 1917 N GLU A 120 10.318 -1.559 8.628 1.00 0.00 N ATOM 1918 CA GLU A 120 10.545 -2.286 9.871 1.00 0.00 C ATOM 1919 C GLU A 120 10.593 -3.791 9.620 1.00 0.00 C ATOM 1920 O GLU A 120 11.519 -4.474 10.058 1.00 0.00 O ATOM 1921 CB GLU A 120 9.446 -1.962 10.886 1.00 0.00 C ATOM 1922 CG GLU A 120 9.536 -2.782 12.162 1.00 0.00 C ATOM 1923 CD GLU A 120 8.461 -2.415 13.167 1.00 0.00 C ATOM 1924 OE1 GLU A 120 7.266 -2.586 12.848 1.00 0.00 O ATOM 1925 OE2 GLU A 120 8.817 -1.956 14.273 1.00 0.00 O ATOM 0 H GLU A 120 9.532 -0.910 8.656 1.00 0.00 H new ATOM 0 HA GLU A 120 11.507 -1.971 10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.498 -0.903 11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.474 -2.131 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.452 -3.841 11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.517 -2.636 12.615 1.00 0.00 H new ATOM 1932 N ARG A 121 9.589 -4.299 8.913 1.00 0.00 N ATOM 1933 CA ARG A 121 9.515 -5.722 8.606 1.00 0.00 C ATOM 1934 C ARG A 121 10.740 -6.172 7.814 1.00 0.00 C ATOM 1935 O ARG A 121 11.252 -7.272 8.018 1.00 0.00 O ATOM 1936 CB ARG A 121 8.243 -6.029 7.814 1.00 0.00 C ATOM 1937 CG ARG A 121 6.985 -6.047 8.666 1.00 0.00 C ATOM 1938 CD ARG A 121 6.747 -7.418 9.279 1.00 0.00 C ATOM 1939 NE ARG A 121 7.543 -7.624 10.486 1.00 0.00 N ATOM 1940 CZ ARG A 121 7.640 -8.791 11.112 1.00 0.00 C ATOM 1941 NH1 ARG A 121 6.993 -9.851 10.649 1.00 0.00 N ATOM 1942 NH2 ARG A 121 8.385 -8.899 12.205 1.00 0.00 N ATOM 0 H ARG A 121 8.816 -3.746 8.542 1.00 0.00 H new ATOM 0 HA ARG A 121 9.490 -6.270 9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.127 -5.285 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.354 -6.997 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 121 7.070 -5.303 9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 121 6.127 -5.766 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 121 5.690 -7.529 9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 121 6.991 -8.189 8.548 1.00 0.00 H new ATOM 0 HE ARG A 121 8.052 -6.828 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.419 -9.772 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.069 -10.746 11.132 1.00 0.00 H new ATOM 0 HH21 ARG A 121 8.884 -8.085 12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 121 8.459 -9.796 12.685 1.00 0.00 H new ATOM 1956 N GLN A 122 11.204 -5.312 6.912 1.00 0.00 N ATOM 1957 CA GLN A 122 12.367 -5.622 6.090 1.00 0.00 C ATOM 1958 C GLN A 122 13.481 -6.237 6.932 1.00 0.00 C ATOM 1959 O GLN A 122 13.805 -7.415 6.785 1.00 0.00 O ATOM 1960 CB GLN A 122 12.877 -4.359 5.393 1.00 0.00 C ATOM 1961 CG GLN A 122 13.616 -4.637 4.094 1.00 0.00 C ATOM 1962 CD GLN A 122 12.680 -4.989 2.954 1.00 0.00 C ATOM 1963 OE1 GLN A 122 11.672 -5.668 3.150 1.00 0.00 O ATOM 1964 NE2 GLN A 122 13.010 -4.528 1.754 1.00 0.00 N ATOM 0 H GLN A 122 10.792 -4.396 6.733 1.00 0.00 H new ATOM 0 HA GLN A 122 12.064 -6.348 5.335 1.00 0.00 H new ATOM 0 HB2 GLN A 122 12.032 -3.701 5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 122 13.541 -3.823 6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.203 -3.761 3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 122 14.319 -5.456 4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 122 13.855 -3.969 1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 122 12.419 -4.733 0.949 1.00 0.00 H new