USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 185 ASN : amide:sc= -3.45! C(o=-4.5!,f=-5.6!) USER MOD Set 1.2: A 188 ASN :FLIP amide:sc= -1.02 F(o=-5.6!,f=-4.5) USER MOD Set 2.1: A 174 THR OG1 : rot 103:sc= 1.31 USER MOD Set 2.2: A 182 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN :FLIP amide:sc= -0.77 F(o=-1.5,f=-0.77) USER MOD Single : A 117 MET CE :methyl -177:sc= -9.58! (180deg=-9.87!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -125:sc= -0.852 (180deg=-2.66!) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 124 MET CE :methyl -130:sc= -12.8! (180deg=-16.7!) USER MOD Single : A 126 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.783) USER MOD Single : A 131 THR OG1 : rot -135:sc= 0.429 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 TYR OH : rot 180:sc= -0.555 USER MOD Single : A 135 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.9!) USER MOD Single : A 137 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl -179:sc= -1.65 (180deg=-1.69) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 22:sc= -1.16! USER MOD Single : A 148 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 150 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.2!) USER MOD Single : A 151 SER OG : rot 83:sc= 1.2 USER MOD Single : A 154 MET CE :methyl -176:sc= -10.5! (180deg=-10.8!) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 179 HIS : no HD1:sc= -0.242 K(o=-0.24,f=-1.6) USER MOD Single : A 186 MET CE :methyl 136:sc= -3.45! (180deg=-6.38!) USER MOD Single : A 189 ASN : amide:sc= -0.647 X(o=-0.65,f=-0.19) USER MOD Single : A 191 GLN : amide:sc=-0.00343 K(o=-0.0034,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 319 N ARG A 109 10.142 -0.593 -1.350 1.00 0.50 N ATOM 320 CA ARG A 109 9.264 0.573 -1.555 1.00 0.44 C ATOM 321 C ARG A 109 8.610 0.579 -2.919 1.00 0.36 C ATOM 322 O ARG A 109 9.051 1.274 -3.837 1.00 0.56 O ATOM 323 CB ARG A 109 10.065 1.833 -1.427 1.00 0.57 C ATOM 324 CG ARG A 109 11.151 1.782 -0.366 1.00 0.98 C ATOM 325 CD ARG A 109 12.032 3.018 -0.407 1.00 1.83 C ATOM 326 NE ARG A 109 12.755 3.139 -1.674 1.00 2.50 N ATOM 327 CZ ARG A 109 13.974 3.665 -1.790 1.00 3.50 C ATOM 328 NH1 ARG A 109 14.610 4.130 -0.719 1.00 4.03 N ATOM 329 NH2 ARG A 109 14.554 3.731 -2.982 1.00 4.32 N ATOM 0 HA ARG A 109 8.483 0.513 -0.797 1.00 0.44 H new ATOM 0 HB2 ARG A 109 10.525 2.056 -2.390 1.00 0.57 H new ATOM 0 HB3 ARG A 109 9.389 2.657 -1.198 1.00 0.57 H new ATOM 0 HG2 ARG A 109 10.694 1.693 0.619 1.00 0.98 H new ATOM 0 HG3 ARG A 109 11.764 0.893 -0.514 1.00 0.98 H new ATOM 0 HD2 ARG A 109 11.418 3.905 -0.255 1.00 1.83 H new ATOM 0 HD3 ARG A 109 12.747 2.980 0.415 1.00 1.83 H new ATOM 0 HE ARG A 109 12.298 2.800 -2.520 1.00 2.50 H new ATOM 0 HH11 ARG A 109 14.165 4.085 0.198 1.00 4.03 H new ATOM 0 HH12 ARG A 109 15.543 4.531 -0.814 1.00 4.03 H new ATOM 0 HH21 ARG A 109 14.067 3.380 -3.806 1.00 4.32 H new ATOM 0 HH22 ARG A 109 15.487 4.133 -3.074 1.00 4.32 H new ATOM 343 N MET A 110 7.560 -0.180 -3.040 1.00 0.28 N ATOM 344 CA MET A 110 6.997 -0.456 -4.361 1.00 0.36 C ATOM 345 C MET A 110 5.484 -0.490 -4.336 1.00 0.41 C ATOM 346 O MET A 110 4.883 -1.100 -3.453 1.00 0.67 O ATOM 347 CB MET A 110 7.552 -1.768 -4.927 1.00 0.58 C ATOM 348 CG MET A 110 6.994 -2.137 -6.292 1.00 0.97 C ATOM 349 SD MET A 110 7.602 -3.730 -6.881 1.00 1.86 S ATOM 350 CE MET A 110 6.819 -3.813 -8.490 1.00 2.59 C ATOM 0 H MET A 110 7.071 -0.621 -2.261 1.00 0.28 H new ATOM 0 HA MET A 110 7.297 0.363 -5.015 1.00 0.36 H new ATOM 0 HB2 MET A 110 8.637 -1.691 -4.998 1.00 0.58 H new ATOM 0 HB3 MET A 110 7.335 -2.575 -4.227 1.00 0.58 H new ATOM 0 HG2 MET A 110 5.906 -2.164 -6.240 1.00 0.97 H new ATOM 0 HG3 MET A 110 7.260 -1.362 -7.011 1.00 0.97 H new ATOM 0 HE1 MET A 110 7.098 -4.744 -8.983 1.00 2.59 H new ATOM 0 HE2 MET A 110 5.736 -3.776 -8.370 1.00 2.59 H new ATOM 0 HE3 MET A 110 7.146 -2.969 -9.098 1.00 2.59 H new ATOM 360 N VAL A 111 4.863 0.143 -5.312 1.00 0.33 N ATOM 361 CA VAL A 111 3.421 0.130 -5.390 1.00 0.35 C ATOM 362 C VAL A 111 2.908 -0.517 -6.645 1.00 0.33 C ATOM 363 O VAL A 111 2.999 0.023 -7.747 1.00 0.35 O ATOM 364 CB VAL A 111 2.830 1.528 -5.265 1.00 0.43 C ATOM 365 CG1 VAL A 111 2.762 1.924 -3.809 1.00 0.74 C ATOM 366 CG2 VAL A 111 3.661 2.510 -6.053 1.00 0.73 C ATOM 0 H VAL A 111 5.330 0.666 -6.053 1.00 0.33 H new ATOM 0 HA VAL A 111 3.095 -0.472 -4.542 1.00 0.35 H new ATOM 0 HB VAL A 111 1.819 1.533 -5.672 1.00 0.43 H new ATOM 0 HG11 VAL A 111 2.339 2.925 -3.724 1.00 0.74 H new ATOM 0 HG12 VAL A 111 2.133 1.217 -3.269 1.00 0.74 H new ATOM 0 HG13 VAL A 111 3.765 1.917 -3.383 1.00 0.74 H new ATOM 0 HG21 VAL A 111 3.232 3.508 -5.959 1.00 0.73 H new ATOM 0 HG22 VAL A 111 4.681 2.515 -5.668 1.00 0.73 H new ATOM 0 HG23 VAL A 111 3.672 2.217 -7.103 1.00 0.73 H new ATOM 376 N ASN A 112 2.392 -1.702 -6.449 1.00 0.36 N ATOM 377 CA ASN A 112 1.619 -2.389 -7.435 1.00 0.37 C ATOM 378 C ASN A 112 0.826 -3.424 -6.684 1.00 0.40 C ATOM 379 O ASN A 112 1.389 -4.409 -6.218 1.00 0.55 O ATOM 380 CB ASN A 112 2.562 -3.054 -8.430 1.00 0.46 C ATOM 381 CG ASN A 112 1.876 -3.509 -9.695 1.00 0.77 C ATOM 382 OD1 ASN A 112 1.911 -2.665 -10.714 1.00 1.14 O flip ATOM 383 ND2 ASN A 112 1.338 -4.614 -9.765 1.00 1.38 N flip ATOM 0 H ASN A 112 2.503 -2.223 -5.579 1.00 0.36 H new ATOM 0 HA ASN A 112 0.962 -1.721 -7.992 1.00 0.37 H new ATOM 0 HB2 ASN A 112 3.357 -2.355 -8.688 1.00 0.46 H new ATOM 0 HB3 ASN A 112 3.035 -3.913 -7.953 1.00 0.46 H new ATOM 0 HD21 ASN A 112 1.335 -5.232 -8.954 1.00 1.38 H new ATOM 0 HD22 ASN A 112 0.895 -4.911 -10.634 1.00 1.38 H new ATOM 390 N LEU A 113 -0.460 -3.210 -6.531 1.00 0.37 N ATOM 391 CA LEU A 113 -1.240 -4.095 -5.698 1.00 0.40 C ATOM 392 C LEU A 113 -1.906 -5.101 -6.572 1.00 0.38 C ATOM 393 O LEU A 113 -2.767 -4.775 -7.387 1.00 0.52 O ATOM 394 CB LEU A 113 -2.273 -3.353 -4.839 1.00 0.42 C ATOM 395 CG LEU A 113 -1.714 -2.463 -3.715 1.00 0.58 C ATOM 396 CD1 LEU A 113 -0.647 -1.544 -4.258 1.00 1.33 C ATOM 397 CD2 LEU A 113 -2.822 -1.634 -3.072 1.00 1.17 C ATOM 0 H LEU A 113 -0.980 -2.446 -6.963 1.00 0.37 H new ATOM 0 HA LEU A 113 -0.565 -4.585 -4.996 1.00 0.40 H new ATOM 0 HB2 LEU A 113 -2.881 -2.732 -5.496 1.00 0.42 H new ATOM 0 HB3 LEU A 113 -2.939 -4.091 -4.392 1.00 0.42 H new ATOM 0 HG LEU A 113 -1.280 -3.114 -2.956 1.00 0.58 H new ATOM 0 HD11 LEU A 113 -0.260 -0.920 -3.453 1.00 1.33 H new ATOM 0 HD12 LEU A 113 0.165 -2.137 -4.679 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -1.074 -0.910 -5.035 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.400 -1.014 -2.281 1.00 1.17 H new ATOM 0 HD22 LEU A 113 -3.283 -0.996 -3.826 1.00 1.17 H new ATOM 0 HD23 LEU A 113 -3.575 -2.299 -2.649 1.00 1.17 H new ATOM 409 N GLU A 114 -1.466 -6.316 -6.443 1.00 0.34 N ATOM 410 CA GLU A 114 -1.973 -7.360 -7.285 1.00 0.34 C ATOM 411 C GLU A 114 -2.081 -8.658 -6.515 1.00 0.33 C ATOM 412 O GLU A 114 -1.079 -9.284 -6.194 1.00 0.39 O ATOM 413 CB GLU A 114 -1.071 -7.510 -8.504 1.00 0.39 C ATOM 414 CG GLU A 114 -1.745 -8.215 -9.670 1.00 0.47 C ATOM 415 CD GLU A 114 -0.929 -8.145 -10.939 1.00 1.13 C ATOM 416 OE1 GLU A 114 -0.857 -7.053 -11.538 1.00 1.93 O ATOM 417 OE2 GLU A 114 -0.366 -9.181 -11.351 1.00 1.50 O ATOM 0 H GLU A 114 -0.761 -6.609 -5.767 1.00 0.34 H new ATOM 0 HA GLU A 114 -2.975 -7.098 -7.625 1.00 0.34 H new ATOM 0 HB2 GLU A 114 -0.742 -6.522 -8.827 1.00 0.39 H new ATOM 0 HB3 GLU A 114 -0.178 -8.066 -8.220 1.00 0.39 H new ATOM 0 HG2 GLU A 114 -1.916 -9.259 -9.409 1.00 0.47 H new ATOM 0 HG3 GLU A 114 -2.723 -7.766 -9.845 1.00 0.47 H new ATOM 424 N PRO A 115 -3.322 -9.048 -6.205 1.00 0.39 N ATOM 425 CA PRO A 115 -3.644 -10.242 -5.422 1.00 0.46 C ATOM 426 C PRO A 115 -2.724 -11.413 -5.703 1.00 0.45 C ATOM 427 O PRO A 115 -2.505 -11.777 -6.864 1.00 0.49 O ATOM 428 CB PRO A 115 -5.068 -10.530 -5.858 1.00 0.59 C ATOM 429 CG PRO A 115 -5.650 -9.181 -6.066 1.00 0.65 C ATOM 430 CD PRO A 115 -4.542 -8.337 -6.622 1.00 0.53 C ATOM 0 HA PRO A 115 -3.525 -10.086 -4.350 1.00 0.46 H new ATOM 0 HB2 PRO A 115 -5.095 -11.123 -6.772 1.00 0.59 H new ATOM 0 HB3 PRO A 115 -5.614 -11.089 -5.099 1.00 0.59 H new ATOM 0 HG2 PRO A 115 -6.494 -9.222 -6.755 1.00 0.65 H new ATOM 0 HG3 PRO A 115 -6.023 -8.768 -5.129 1.00 0.65 H new ATOM 0 HD2 PRO A 115 -4.607 -8.254 -7.707 1.00 0.53 H new ATOM 0 HD3 PRO A 115 -4.571 -7.323 -6.223 1.00 0.53 H new ATOM 438 N ASP A 116 -2.188 -11.978 -4.618 1.00 0.46 N ATOM 439 CA ASP A 116 -1.173 -13.023 -4.678 1.00 0.49 C ATOM 440 C ASP A 116 0.178 -12.411 -5.050 1.00 0.48 C ATOM 441 O ASP A 116 0.864 -12.830 -5.985 1.00 0.58 O ATOM 442 CB ASP A 116 -1.597 -14.121 -5.637 1.00 0.55 C ATOM 443 CG ASP A 116 -0.651 -15.305 -5.655 1.00 0.63 C ATOM 444 OD1 ASP A 116 -0.029 -15.561 -6.708 1.00 0.67 O ATOM 445 OD2 ASP A 116 -0.531 -15.988 -4.612 1.00 0.72 O ATOM 0 H ASP A 116 -2.451 -11.718 -3.667 1.00 0.46 H new ATOM 0 HA ASP A 116 -1.065 -13.486 -3.697 1.00 0.49 H new ATOM 0 HB2 ASP A 116 -2.594 -14.467 -5.364 1.00 0.55 H new ATOM 0 HB3 ASP A 116 -1.668 -13.707 -6.643 1.00 0.55 H new ATOM 450 N MET A 117 0.509 -11.366 -4.316 1.00 0.39 N ATOM 451 CA MET A 117 1.790 -10.685 -4.428 1.00 0.40 C ATOM 452 C MET A 117 2.495 -10.683 -3.094 1.00 0.37 C ATOM 453 O MET A 117 1.869 -10.809 -2.059 1.00 0.33 O ATOM 454 CB MET A 117 1.646 -9.252 -4.915 1.00 0.42 C ATOM 455 CG MET A 117 0.728 -8.424 -4.061 1.00 0.45 C ATOM 456 SD MET A 117 0.928 -6.658 -4.325 1.00 0.80 S ATOM 457 CE MET A 117 -0.301 -6.023 -3.198 1.00 1.67 C ATOM 0 H MET A 117 -0.110 -10.959 -3.615 1.00 0.39 H new ATOM 0 HA MET A 117 2.375 -11.233 -5.166 1.00 0.40 H new ATOM 0 HB2 MET A 117 2.630 -8.783 -4.939 1.00 0.42 H new ATOM 0 HB3 MET A 117 1.271 -9.259 -5.938 1.00 0.42 H new ATOM 0 HG2 MET A 117 -0.305 -8.703 -4.271 1.00 0.45 H new ATOM 0 HG3 MET A 117 0.913 -8.652 -3.011 1.00 0.45 H new ATOM 0 HE1 MET A 117 -0.343 -4.937 -3.280 1.00 1.67 H new ATOM 0 HE2 MET A 117 -1.275 -6.443 -3.447 1.00 1.67 H new ATOM 0 HE3 MET A 117 -0.037 -6.300 -2.178 1.00 1.67 H new ATOM 467 N THR A 118 3.792 -10.538 -3.117 1.00 0.41 N ATOM 468 CA THR A 118 4.559 -10.536 -1.899 1.00 0.41 C ATOM 469 C THR A 118 4.867 -9.098 -1.533 1.00 0.43 C ATOM 470 O THR A 118 5.572 -8.400 -2.261 1.00 0.58 O ATOM 471 CB THR A 118 5.847 -11.352 -2.047 1.00 0.49 C ATOM 472 OG1 THR A 118 5.533 -12.656 -2.564 1.00 0.52 O ATOM 473 CG2 THR A 118 6.548 -11.492 -0.703 1.00 0.49 C ATOM 0 H THR A 118 4.342 -10.419 -3.968 1.00 0.41 H new ATOM 0 HA THR A 118 3.980 -11.006 -1.104 1.00 0.41 H new ATOM 0 HB THR A 118 6.513 -10.833 -2.736 1.00 0.49 H new ATOM 0 HG1 THR A 118 6.357 -13.177 -2.660 1.00 0.52 H new ATOM 0 HG21 THR A 118 7.461 -12.075 -0.828 1.00 0.49 H new ATOM 0 HG22 THR A 118 6.798 -10.503 -0.318 1.00 0.49 H new ATOM 0 HG23 THR A 118 5.888 -11.999 0.001 1.00 0.49 H new ATOM 481 N ILE A 119 4.306 -8.649 -0.427 1.00 0.41 N ATOM 482 CA ILE A 119 4.255 -7.236 -0.141 1.00 0.45 C ATOM 483 C ILE A 119 4.455 -6.959 1.352 1.00 0.40 C ATOM 484 O ILE A 119 4.291 -7.863 2.169 1.00 0.38 O ATOM 485 CB ILE A 119 2.910 -6.702 -0.609 1.00 0.53 C ATOM 486 CG1 ILE A 119 2.924 -5.206 -0.538 1.00 0.65 C ATOM 487 CG2 ILE A 119 1.801 -7.293 0.218 1.00 0.49 C ATOM 488 CD1 ILE A 119 2.531 -4.570 -1.829 1.00 0.56 C ATOM 0 H ILE A 119 3.881 -9.244 0.284 1.00 0.41 H new ATOM 0 HA ILE A 119 5.064 -6.732 -0.669 1.00 0.45 H new ATOM 0 HB ILE A 119 2.731 -6.994 -1.644 1.00 0.53 H new ATOM 0 HG12 ILE A 119 2.244 -4.876 0.248 1.00 0.65 H new ATOM 0 HG13 ILE A 119 3.922 -4.868 -0.259 1.00 0.65 H new ATOM 0 HG21 ILE A 119 0.843 -6.903 -0.126 1.00 0.49 H new ATOM 0 HG22 ILE A 119 1.809 -8.378 0.116 1.00 0.49 H new ATOM 0 HG23 ILE A 119 1.946 -7.026 1.265 1.00 0.49 H new ATOM 0 HD11 ILE A 119 2.558 -3.485 -1.723 1.00 0.56 H new ATOM 0 HD12 ILE A 119 3.226 -4.875 -2.611 1.00 0.56 H new ATOM 0 HD13 ILE A 119 1.522 -4.884 -2.097 1.00 0.56 H new ATOM 500 N SER A 120 4.840 -5.730 1.714 1.00 0.40 N ATOM 501 CA SER A 120 5.118 -5.416 3.098 1.00 0.39 C ATOM 502 C SER A 120 4.651 -4.009 3.419 1.00 0.42 C ATOM 503 O SER A 120 4.148 -3.306 2.538 1.00 0.44 O ATOM 504 CB SER A 120 6.609 -5.560 3.393 1.00 0.36 C ATOM 505 OG SER A 120 7.060 -6.872 3.106 1.00 0.38 O ATOM 0 H SER A 120 4.962 -4.951 1.066 1.00 0.40 H new ATOM 0 HA SER A 120 4.574 -6.119 3.728 1.00 0.39 H new ATOM 0 HB2 SER A 120 7.172 -4.840 2.799 1.00 0.36 H new ATOM 0 HB3 SER A 120 6.800 -5.327 4.441 1.00 0.36 H new ATOM 0 HG SER A 120 8.018 -6.939 3.301 1.00 0.38 H new ATOM 511 N LYS A 121 4.846 -3.597 4.662 1.00 0.45 N ATOM 512 CA LYS A 121 4.711 -2.195 5.041 1.00 0.50 C ATOM 513 C LYS A 121 5.681 -1.382 4.231 1.00 0.44 C ATOM 514 O LYS A 121 5.499 -0.203 4.024 1.00 0.42 O ATOM 515 CB LYS A 121 5.053 -2.000 6.514 1.00 0.62 C ATOM 516 CG LYS A 121 4.115 -2.710 7.448 1.00 0.58 C ATOM 517 CD LYS A 121 4.661 -2.809 8.870 1.00 1.16 C ATOM 518 CE LYS A 121 5.907 -3.684 8.967 1.00 1.76 C ATOM 519 NZ LYS A 121 7.169 -2.920 8.755 1.00 2.33 N ATOM 0 H LYS A 121 5.100 -4.216 5.432 1.00 0.45 H new ATOM 0 HA LYS A 121 3.682 -1.883 4.862 1.00 0.50 H new ATOM 0 HB2 LYS A 121 6.068 -2.355 6.693 1.00 0.62 H new ATOM 0 HB3 LYS A 121 5.043 -0.934 6.743 1.00 0.62 H new ATOM 0 HG2 LYS A 121 3.160 -2.185 7.466 1.00 0.58 H new ATOM 0 HG3 LYS A 121 3.920 -3.713 7.068 1.00 0.58 H new ATOM 0 HD2 LYS A 121 4.896 -1.809 9.234 1.00 1.16 H new ATOM 0 HD3 LYS A 121 3.888 -3.213 9.524 1.00 1.16 H new ATOM 0 HE2 LYS A 121 5.936 -4.159 9.948 1.00 1.76 H new ATOM 0 HE3 LYS A 121 5.843 -4.482 8.228 1.00 1.76 H new ATOM 0 HZ1 LYS A 121 7.718 -3.362 7.990 1.00 2.33 H new ATOM 0 HZ2 LYS A 121 6.941 -1.939 8.496 1.00 2.33 H new ATOM 0 HZ3 LYS A 121 7.730 -2.926 9.631 1.00 2.33 H new ATOM 533 N ASN A 122 6.754 -2.044 3.860 1.00 0.45 N ATOM 534 CA ASN A 122 7.845 -1.454 3.099 1.00 0.47 C ATOM 535 C ASN A 122 7.639 -1.466 1.586 1.00 0.46 C ATOM 536 O ASN A 122 8.386 -0.829 0.864 1.00 0.53 O ATOM 537 CB ASN A 122 9.089 -2.202 3.395 1.00 0.56 C ATOM 538 CG ASN A 122 10.312 -1.315 3.536 1.00 0.79 C ATOM 539 OD1 ASN A 122 10.418 -0.262 2.905 1.00 1.32 O ATOM 540 ND2 ASN A 122 11.245 -1.731 4.380 1.00 1.27 N ATOM 0 H ASN A 122 6.901 -3.029 4.081 1.00 0.45 H new ATOM 0 HA ASN A 122 7.896 -0.409 3.404 1.00 0.47 H new ATOM 0 HB2 ASN A 122 8.952 -2.768 4.317 1.00 0.56 H new ATOM 0 HB3 ASN A 122 9.265 -2.926 2.600 1.00 0.56 H new ATOM 0 HD21 ASN A 122 12.087 -1.173 4.525 1.00 1.27 H new ATOM 0 HD22 ASN A 122 11.121 -2.609 4.885 1.00 1.27 H new ATOM 547 N GLU A 123 6.736 -2.269 1.076 1.00 0.43 N ATOM 548 CA GLU A 123 6.365 -2.133 -0.316 1.00 0.46 C ATOM 549 C GLU A 123 5.314 -1.062 -0.401 1.00 0.46 C ATOM 550 O GLU A 123 5.506 0.008 -0.982 1.00 0.59 O ATOM 551 CB GLU A 123 5.792 -3.430 -0.824 1.00 0.51 C ATOM 552 CG GLU A 123 6.336 -3.902 -2.158 1.00 0.78 C ATOM 553 CD GLU A 123 7.697 -4.554 -2.036 1.00 1.23 C ATOM 554 OE1 GLU A 123 7.779 -5.658 -1.453 1.00 1.57 O ATOM 555 OE2 GLU A 123 8.688 -3.978 -2.517 1.00 2.06 O ATOM 0 H GLU A 123 6.253 -3.008 1.588 1.00 0.43 H new ATOM 0 HA GLU A 123 7.237 -1.876 -0.918 1.00 0.46 H new ATOM 0 HB2 GLU A 123 5.977 -4.205 -0.080 1.00 0.51 H new ATOM 0 HB3 GLU A 123 4.711 -3.321 -0.909 1.00 0.51 H new ATOM 0 HG2 GLU A 123 5.636 -4.611 -2.601 1.00 0.78 H new ATOM 0 HG3 GLU A 123 6.404 -3.054 -2.839 1.00 0.78 H new ATOM 562 N MET A 124 4.224 -1.371 0.260 1.00 0.41 N ATOM 563 CA MET A 124 3.104 -0.460 0.445 1.00 0.40 C ATOM 564 C MET A 124 3.527 0.813 1.126 1.00 0.36 C ATOM 565 O MET A 124 2.772 1.763 1.144 1.00 0.38 O ATOM 566 CB MET A 124 1.993 -1.132 1.226 1.00 0.47 C ATOM 567 CG MET A 124 1.201 -2.141 0.412 1.00 1.17 C ATOM 568 SD MET A 124 0.460 -1.422 -1.069 1.00 2.20 S ATOM 569 CE MET A 124 1.849 -1.359 -2.207 1.00 3.13 C ATOM 0 H MET A 124 4.081 -2.282 0.697 1.00 0.41 H new ATOM 0 HA MET A 124 2.730 -0.197 -0.545 1.00 0.40 H new ATOM 0 HB2 MET A 124 2.422 -1.634 2.093 1.00 0.47 H new ATOM 0 HB3 MET A 124 1.313 -0.369 1.604 1.00 0.47 H new ATOM 0 HG2 MET A 124 1.857 -2.962 0.122 1.00 1.17 H new ATOM 0 HG3 MET A 124 0.415 -2.567 1.036 1.00 1.17 H new ATOM 0 HE1 MET A 124 1.920 -0.361 -2.640 1.00 3.13 H new ATOM 0 HE2 MET A 124 2.770 -1.588 -1.670 1.00 3.13 H new ATOM 0 HE3 MET A 124 1.701 -2.090 -3.002 1.00 3.13 H new ATOM 579 N VAL A 125 4.703 0.810 1.735 1.00 0.35 N ATOM 580 CA VAL A 125 5.248 2.012 2.347 1.00 0.32 C ATOM 581 C VAL A 125 5.039 3.194 1.444 1.00 0.30 C ATOM 582 O VAL A 125 4.679 4.290 1.872 1.00 0.29 O ATOM 583 CB VAL A 125 6.760 1.879 2.648 1.00 0.34 C ATOM 584 CG1 VAL A 125 7.596 1.722 1.383 1.00 0.37 C ATOM 585 CG2 VAL A 125 7.239 3.077 3.445 1.00 0.34 C ATOM 0 H VAL A 125 5.299 -0.013 1.819 1.00 0.35 H new ATOM 0 HA VAL A 125 4.720 2.155 3.290 1.00 0.32 H new ATOM 0 HB VAL A 125 6.893 0.970 3.235 1.00 0.34 H new ATOM 0 HG11 VAL A 125 8.649 1.633 1.651 1.00 0.37 H new ATOM 0 HG12 VAL A 125 7.281 0.826 0.847 1.00 0.37 H new ATOM 0 HG13 VAL A 125 7.457 2.594 0.744 1.00 0.37 H new ATOM 0 HG21 VAL A 125 8.304 2.974 3.652 1.00 0.34 H new ATOM 0 HG22 VAL A 125 7.067 3.988 2.872 1.00 0.34 H new ATOM 0 HG23 VAL A 125 6.690 3.131 4.385 1.00 0.34 H new ATOM 595 N LYS A 126 5.267 2.947 0.184 1.00 0.33 N ATOM 596 CA LYS A 126 5.061 3.959 -0.818 1.00 0.35 C ATOM 597 C LYS A 126 3.609 4.299 -1.029 1.00 0.39 C ATOM 598 O LYS A 126 3.267 5.455 -1.176 1.00 0.41 O ATOM 599 CB LYS A 126 5.733 3.546 -2.088 1.00 0.39 C ATOM 600 CG LYS A 126 7.225 3.487 -1.940 1.00 0.37 C ATOM 601 CD LYS A 126 7.874 4.841 -1.625 1.00 0.38 C ATOM 602 CE LYS A 126 7.578 5.365 -0.226 1.00 0.41 C ATOM 603 NZ LYS A 126 8.719 6.108 0.367 1.00 0.63 N ATOM 0 H LYS A 126 5.597 2.051 -0.176 1.00 0.33 H new ATOM 0 HA LYS A 126 5.516 4.882 -0.459 1.00 0.35 H new ATOM 0 HB2 LYS A 126 5.360 2.569 -2.395 1.00 0.39 H new ATOM 0 HB3 LYS A 126 5.475 4.249 -2.880 1.00 0.39 H new ATOM 0 HG2 LYS A 126 7.474 2.783 -1.146 1.00 0.37 H new ATOM 0 HG3 LYS A 126 7.656 3.094 -2.861 1.00 0.37 H new ATOM 0 HD2 LYS A 126 8.953 4.751 -1.746 1.00 0.38 H new ATOM 0 HD3 LYS A 126 7.532 5.574 -2.355 1.00 0.38 H new ATOM 0 HE2 LYS A 126 6.707 6.019 -0.265 1.00 0.41 H new ATOM 0 HE3 LYS A 126 7.320 4.528 0.423 1.00 0.41 H new ATOM 0 HZ1 LYS A 126 8.370 6.741 1.115 1.00 0.63 H new ATOM 0 HZ2 LYS A 126 9.399 5.434 0.774 1.00 0.63 H new ATOM 0 HZ3 LYS A 126 9.189 6.670 -0.371 1.00 0.63 H new ATOM 617 N LEU A 127 2.770 3.297 -1.046 1.00 0.44 N ATOM 618 CA LEU A 127 1.326 3.498 -0.977 1.00 0.50 C ATOM 619 C LEU A 127 0.951 4.428 0.160 1.00 0.43 C ATOM 620 O LEU A 127 -0.009 5.189 0.077 1.00 0.49 O ATOM 621 CB LEU A 127 0.616 2.199 -0.741 1.00 0.56 C ATOM 622 CG LEU A 127 -0.877 2.372 -0.749 1.00 0.67 C ATOM 623 CD1 LEU A 127 -1.481 1.441 -1.748 1.00 1.47 C ATOM 624 CD2 LEU A 127 -1.439 2.193 0.629 1.00 1.79 C ATOM 0 H LEU A 127 3.055 2.319 -1.107 1.00 0.44 H new ATOM 0 HA LEU A 127 1.028 3.932 -1.932 1.00 0.50 H new ATOM 0 HB2 LEU A 127 0.903 1.482 -1.510 1.00 0.56 H new ATOM 0 HB3 LEU A 127 0.929 1.782 0.216 1.00 0.56 H new ATOM 0 HG LEU A 127 -1.130 3.388 -1.052 1.00 0.67 H new ATOM 0 HD11 LEU A 127 -2.564 1.566 -1.754 1.00 1.47 H new ATOM 0 HD12 LEU A 127 -1.085 1.663 -2.739 1.00 1.47 H new ATOM 0 HD13 LEU A 127 -1.236 0.413 -1.482 1.00 1.47 H new ATOM 0 HD21 LEU A 127 -2.521 2.322 0.600 1.00 1.79 H new ATOM 0 HD22 LEU A 127 -1.203 1.192 0.991 1.00 1.79 H new ATOM 0 HD23 LEU A 127 -1.003 2.934 1.299 1.00 1.79 H new ATOM 636 N LEU A 128 1.706 4.336 1.227 1.00 0.34 N ATOM 637 CA LEU A 128 1.367 5.022 2.451 1.00 0.30 C ATOM 638 C LEU A 128 1.903 6.426 2.385 1.00 0.32 C ATOM 639 O LEU A 128 1.340 7.355 2.940 1.00 0.36 O ATOM 640 CB LEU A 128 1.917 4.255 3.642 1.00 0.27 C ATOM 641 CG LEU A 128 1.733 2.740 3.537 1.00 0.32 C ATOM 642 CD1 LEU A 128 2.417 2.038 4.690 1.00 0.38 C ATOM 643 CD2 LEU A 128 0.255 2.370 3.476 1.00 0.34 C ATOM 0 H LEU A 128 2.566 3.789 1.273 1.00 0.34 H new ATOM 0 HA LEU A 128 0.285 5.075 2.574 1.00 0.30 H new ATOM 0 HB2 LEU A 128 2.979 4.477 3.746 1.00 0.27 H new ATOM 0 HB3 LEU A 128 1.427 4.609 4.549 1.00 0.27 H new ATOM 0 HG LEU A 128 2.199 2.407 2.610 1.00 0.32 H new ATOM 0 HD11 LEU A 128 2.274 0.961 4.597 1.00 0.38 H new ATOM 0 HD12 LEU A 128 3.483 2.266 4.674 1.00 0.38 H new ATOM 0 HD13 LEU A 128 1.987 2.381 5.631 1.00 0.38 H new ATOM 0 HD21 LEU A 128 0.154 1.287 3.402 1.00 0.34 H new ATOM 0 HD22 LEU A 128 -0.245 2.720 4.379 1.00 0.34 H new ATOM 0 HD23 LEU A 128 -0.201 2.838 2.604 1.00 0.34 H new ATOM 655 N GLU A 129 3.020 6.542 1.706 1.00 0.30 N ATOM 656 CA GLU A 129 3.562 7.814 1.286 1.00 0.35 C ATOM 657 C GLU A 129 2.615 8.476 0.289 1.00 0.44 C ATOM 658 O GLU A 129 2.444 9.692 0.265 1.00 0.56 O ATOM 659 CB GLU A 129 4.894 7.544 0.612 1.00 0.35 C ATOM 660 CG GLU A 129 5.948 8.599 0.870 1.00 0.91 C ATOM 661 CD GLU A 129 6.573 8.480 2.240 1.00 1.04 C ATOM 662 OE1 GLU A 129 7.589 7.768 2.378 1.00 1.96 O ATOM 663 OE2 GLU A 129 6.042 9.093 3.192 1.00 1.41 O ATOM 0 H GLU A 129 3.587 5.742 1.425 1.00 0.30 H new ATOM 0 HA GLU A 129 3.687 8.477 2.142 1.00 0.35 H new ATOM 0 HB2 GLU A 129 5.271 6.580 0.952 1.00 0.35 H new ATOM 0 HB3 GLU A 129 4.734 7.462 -0.463 1.00 0.35 H new ATOM 0 HG2 GLU A 129 6.727 8.520 0.112 1.00 0.91 H new ATOM 0 HG3 GLU A 129 5.500 9.587 0.765 1.00 0.91 H new ATOM 670 N ALA A 130 2.025 7.630 -0.527 1.00 0.45 N ATOM 671 CA ALA A 130 1.111 8.021 -1.587 1.00 0.54 C ATOM 672 C ALA A 130 -0.230 8.473 -1.042 1.00 0.56 C ATOM 673 O ALA A 130 -0.796 9.466 -1.501 1.00 0.64 O ATOM 674 CB ALA A 130 0.908 6.836 -2.498 1.00 0.58 C ATOM 0 H ALA A 130 2.170 6.622 -0.473 1.00 0.45 H new ATOM 0 HA ALA A 130 1.545 8.863 -2.127 1.00 0.54 H new ATOM 0 HB1 ALA A 130 0.224 7.108 -3.302 1.00 0.58 H new ATOM 0 HB2 ALA A 130 1.866 6.535 -2.923 1.00 0.58 H new ATOM 0 HB3 ALA A 130 0.487 6.007 -1.929 1.00 0.58 H new ATOM 680 N THR A 131 -0.736 7.736 -0.066 1.00 0.48 N ATOM 681 CA THR A 131 -2.021 8.043 0.534 1.00 0.46 C ATOM 682 C THR A 131 -1.756 8.977 1.691 1.00 0.45 C ATOM 683 O THR A 131 -2.632 9.585 2.283 1.00 0.52 O ATOM 684 CB THR A 131 -2.761 6.738 0.932 1.00 0.39 C ATOM 685 OG1 THR A 131 -4.106 6.777 0.451 1.00 0.59 O ATOM 686 CG2 THR A 131 -2.770 6.482 2.429 1.00 0.57 C ATOM 0 H THR A 131 -0.272 6.917 0.328 1.00 0.48 H new ATOM 0 HA THR A 131 -2.692 8.541 -0.165 1.00 0.46 H new ATOM 0 HB THR A 131 -2.210 5.918 0.472 1.00 0.39 H new ATOM 0 HG1 THR A 131 -4.715 6.473 1.156 1.00 0.59 H new ATOM 0 HG21 THR A 131 -3.303 5.554 2.636 1.00 0.57 H new ATOM 0 HG22 THR A 131 -1.745 6.400 2.790 1.00 0.57 H new ATOM 0 HG23 THR A 131 -3.268 7.308 2.936 1.00 0.57 H new ATOM 694 N GLN A 132 -0.477 9.126 1.880 1.00 0.44 N ATOM 695 CA GLN A 132 0.133 10.063 2.775 1.00 0.46 C ATOM 696 C GLN A 132 -0.321 9.873 4.213 1.00 0.42 C ATOM 697 O GLN A 132 -0.808 10.803 4.852 1.00 0.49 O ATOM 698 CB GLN A 132 -0.142 11.462 2.289 1.00 0.56 C ATOM 699 CG GLN A 132 0.205 11.635 0.826 1.00 0.62 C ATOM 700 CD GLN A 132 -0.597 12.728 0.156 1.00 1.03 C ATOM 701 OE1 GLN A 132 -1.693 12.489 -0.353 1.00 1.53 O ATOM 702 NE2 GLN A 132 -0.060 13.934 0.148 1.00 1.80 N ATOM 0 H GLN A 132 0.210 8.560 1.381 1.00 0.44 H new ATOM 0 HA GLN A 132 1.208 9.886 2.777 1.00 0.46 H new ATOM 0 HB2 GLN A 132 -1.195 11.698 2.442 1.00 0.56 H new ATOM 0 HB3 GLN A 132 0.433 12.172 2.884 1.00 0.56 H new ATOM 0 HG2 GLN A 132 1.267 11.862 0.734 1.00 0.62 H new ATOM 0 HG3 GLN A 132 0.034 10.694 0.304 1.00 0.62 H new ATOM 0 HE21 GLN A 132 0.850 14.090 0.581 1.00 1.80 H new ATOM 0 HE22 GLN A 132 -0.555 14.710 -0.291 1.00 1.80 H new ATOM 711 N TYR A 133 -0.149 8.663 4.723 1.00 0.33 N ATOM 712 CA TYR A 133 -0.602 8.351 6.061 1.00 0.30 C ATOM 713 C TYR A 133 0.376 7.481 6.835 1.00 0.27 C ATOM 714 O TYR A 133 1.421 7.081 6.315 1.00 0.27 O ATOM 715 CB TYR A 133 -1.952 7.668 6.036 1.00 0.27 C ATOM 716 CG TYR A 133 -2.673 7.901 7.319 1.00 0.30 C ATOM 717 CD1 TYR A 133 -3.236 6.864 8.037 1.00 0.27 C ATOM 718 CD2 TYR A 133 -2.735 9.188 7.837 1.00 0.40 C ATOM 719 CE1 TYR A 133 -3.851 7.116 9.245 1.00 0.34 C ATOM 720 CE2 TYR A 133 -3.346 9.443 9.032 1.00 0.46 C ATOM 721 CZ TYR A 133 -3.902 8.413 9.737 1.00 0.41 C ATOM 722 OH TYR A 133 -4.515 8.682 10.937 1.00 0.52 O ATOM 0 H TYR A 133 0.298 7.889 4.231 1.00 0.33 H new ATOM 0 HA TYR A 133 -0.678 9.310 6.574 1.00 0.30 H new ATOM 0 HB2 TYR A 133 -2.544 8.048 5.204 1.00 0.27 H new ATOM 0 HB3 TYR A 133 -1.823 6.598 5.873 1.00 0.27 H new ATOM 0 HD1 TYR A 133 -3.194 5.856 7.652 1.00 0.27 H new ATOM 0 HD2 TYR A 133 -2.292 10.003 7.284 1.00 0.40 H new ATOM 0 HE1 TYR A 133 -4.292 6.306 9.807 1.00 0.34 H new ATOM 0 HE2 TYR A 133 -3.389 10.451 9.417 1.00 0.46 H new ATOM 0 HH TYR A 133 -4.456 9.642 11.127 1.00 0.52 H new ATOM 732 N ARG A 134 0.035 7.221 8.101 1.00 0.28 N ATOM 733 CA ARG A 134 0.766 6.299 8.926 1.00 0.29 C ATOM 734 C ARG A 134 -0.237 5.537 9.789 1.00 0.27 C ATOM 735 O ARG A 134 -1.285 6.069 10.133 1.00 0.28 O ATOM 736 CB ARG A 134 1.811 7.010 9.779 1.00 0.38 C ATOM 737 CG ARG A 134 1.243 8.013 10.770 1.00 1.16 C ATOM 738 CD ARG A 134 2.352 8.661 11.580 1.00 1.83 C ATOM 739 NE ARG A 134 3.162 7.670 12.290 1.00 2.68 N ATOM 740 CZ ARG A 134 4.475 7.787 12.497 1.00 3.59 C ATOM 741 NH1 ARG A 134 5.131 8.852 12.046 1.00 3.92 N ATOM 742 NH2 ARG A 134 5.133 6.837 13.150 1.00 4.54 N ATOM 0 H ARG A 134 -0.761 7.654 8.569 1.00 0.28 H new ATOM 0 HA ARG A 134 1.316 5.601 8.295 1.00 0.29 H new ATOM 0 HB2 ARG A 134 2.384 6.262 10.327 1.00 0.38 H new ATOM 0 HB3 ARG A 134 2.509 7.526 9.120 1.00 0.38 H new ATOM 0 HG2 ARG A 134 0.681 8.780 10.236 1.00 1.16 H new ATOM 0 HG3 ARG A 134 0.543 7.513 11.439 1.00 1.16 H new ATOM 0 HD2 ARG A 134 2.991 9.245 10.918 1.00 1.83 H new ATOM 0 HD3 ARG A 134 1.918 9.356 12.298 1.00 1.83 H new ATOM 0 HE ARG A 134 2.694 6.838 12.649 1.00 2.68 H new ATOM 0 HH11 ARG A 134 4.631 9.583 11.540 1.00 3.92 H new ATOM 0 HH12 ARG A 134 6.135 8.938 12.206 1.00 3.92 H new ATOM 0 HH21 ARG A 134 4.635 6.016 13.494 1.00 4.54 H new ATOM 0 HH22 ARG A 134 6.137 6.928 13.307 1.00 4.54 H new ATOM 756 N GLN A 135 0.103 4.311 10.134 1.00 0.27 N ATOM 757 CA GLN A 135 -0.832 3.346 10.713 1.00 0.27 C ATOM 758 C GLN A 135 -1.635 3.866 11.894 1.00 0.29 C ATOM 759 O GLN A 135 -1.151 4.616 12.742 1.00 0.32 O ATOM 760 CB GLN A 135 -0.042 2.126 11.108 1.00 0.29 C ATOM 761 CG GLN A 135 -0.867 0.981 11.671 1.00 0.30 C ATOM 762 CD GLN A 135 -0.799 0.906 13.187 1.00 0.38 C ATOM 763 OE1 GLN A 135 0.200 1.299 13.794 1.00 1.10 O ATOM 764 NE2 GLN A 135 -1.849 0.398 13.806 1.00 1.28 N ATOM 0 H GLN A 135 1.048 3.945 10.021 1.00 0.27 H new ATOM 0 HA GLN A 135 -1.581 3.120 9.954 1.00 0.27 H new ATOM 0 HB2 GLN A 135 0.503 1.766 10.235 1.00 0.29 H new ATOM 0 HB3 GLN A 135 0.701 2.418 11.850 1.00 0.29 H new ATOM 0 HG2 GLN A 135 -1.906 1.100 11.362 1.00 0.30 H new ATOM 0 HG3 GLN A 135 -0.514 0.041 11.248 1.00 0.30 H new ATOM 0 HE21 GLN A 135 -2.656 0.084 13.267 1.00 1.28 H new ATOM 0 HE22 GLN A 135 -1.853 0.320 14.823 1.00 1.28 H new ATOM 773 N VAL A 136 -2.873 3.407 11.913 1.00 0.31 N ATOM 774 CA VAL A 136 -3.870 3.797 12.898 1.00 0.37 C ATOM 775 C VAL A 136 -4.478 2.590 13.598 1.00 0.43 C ATOM 776 O VAL A 136 -4.423 1.471 13.081 1.00 0.48 O ATOM 777 CB VAL A 136 -5.011 4.580 12.244 1.00 0.47 C ATOM 778 CG1 VAL A 136 -4.668 6.025 12.072 1.00 1.05 C ATOM 779 CG2 VAL A 136 -5.332 4.005 10.907 1.00 0.92 C ATOM 0 H VAL A 136 -3.223 2.737 11.229 1.00 0.31 H new ATOM 0 HA VAL A 136 -3.350 4.419 13.627 1.00 0.37 H new ATOM 0 HB VAL A 136 -5.872 4.502 12.907 1.00 0.47 H new ATOM 0 HG11 VAL A 136 -5.505 6.544 11.604 1.00 1.05 H new ATOM 0 HG12 VAL A 136 -4.464 6.469 13.046 1.00 1.05 H new ATOM 0 HG13 VAL A 136 -3.785 6.117 11.440 1.00 1.05 H new ATOM 0 HG21 VAL A 136 -6.145 4.571 10.453 1.00 0.92 H new ATOM 0 HG22 VAL A 136 -4.451 4.058 10.267 1.00 0.92 H new ATOM 0 HG23 VAL A 136 -5.635 2.964 11.022 1.00 0.92 H new ATOM 789 N SER A 137 -5.061 2.828 14.770 1.00 0.49 N ATOM 790 CA SER A 137 -5.881 1.825 15.438 1.00 0.57 C ATOM 791 C SER A 137 -7.073 1.537 14.563 1.00 0.53 C ATOM 792 O SER A 137 -7.556 0.410 14.447 1.00 0.60 O ATOM 793 CB SER A 137 -6.383 2.365 16.772 1.00 0.67 C ATOM 794 OG SER A 137 -5.365 3.096 17.439 1.00 1.38 O ATOM 0 H SER A 137 -4.980 3.710 15.277 1.00 0.49 H new ATOM 0 HA SER A 137 -5.291 0.925 15.611 1.00 0.57 H new ATOM 0 HB2 SER A 137 -7.248 3.007 16.606 1.00 0.67 H new ATOM 0 HB3 SER A 137 -6.715 1.539 17.401 1.00 0.67 H new ATOM 0 HG SER A 137 -5.710 3.434 18.291 1.00 1.38 H new ATOM 800 N LYS A 138 -7.502 2.604 13.940 1.00 0.47 N ATOM 801 CA LYS A 138 -8.648 2.603 13.066 1.00 0.46 C ATOM 802 C LYS A 138 -8.579 3.791 12.145 1.00 0.43 C ATOM 803 O LYS A 138 -8.313 4.916 12.570 1.00 0.44 O ATOM 804 CB LYS A 138 -9.947 2.675 13.831 1.00 0.51 C ATOM 805 CG LYS A 138 -11.147 2.918 12.919 1.00 0.55 C ATOM 806 CD LYS A 138 -12.040 4.068 13.379 1.00 0.82 C ATOM 807 CE LYS A 138 -11.264 5.360 13.598 1.00 0.92 C ATOM 808 NZ LYS A 138 -12.149 6.481 14.011 1.00 1.44 N ATOM 0 H LYS A 138 -7.056 3.517 14.027 1.00 0.47 H new ATOM 0 HA LYS A 138 -8.626 1.668 12.507 1.00 0.46 H new ATOM 0 HB2 LYS A 138 -10.094 1.745 14.380 1.00 0.51 H new ATOM 0 HB3 LYS A 138 -9.887 3.475 14.569 1.00 0.51 H new ATOM 0 HG2 LYS A 138 -10.790 3.127 11.910 1.00 0.55 H new ATOM 0 HG3 LYS A 138 -11.742 2.006 12.864 1.00 0.55 H new ATOM 0 HD2 LYS A 138 -12.819 4.238 12.636 1.00 0.82 H new ATOM 0 HD3 LYS A 138 -12.540 3.787 14.306 1.00 0.82 H new ATOM 0 HE2 LYS A 138 -10.502 5.200 14.361 1.00 0.92 H new ATOM 0 HE3 LYS A 138 -10.743 5.630 12.679 1.00 0.92 H new ATOM 0 HZ1 LYS A 138 -11.579 7.340 14.149 1.00 1.44 H new ATOM 0 HZ2 LYS A 138 -12.860 6.652 13.272 1.00 1.44 H new ATOM 0 HZ3 LYS A 138 -12.627 6.236 14.901 1.00 1.44 H new ATOM 822 N MET A 139 -8.805 3.535 10.893 1.00 0.42 N ATOM 823 CA MET A 139 -8.846 4.572 9.906 1.00 0.41 C ATOM 824 C MET A 139 -10.208 4.643 9.241 1.00 0.46 C ATOM 825 O MET A 139 -10.798 3.614 8.905 1.00 0.57 O ATOM 826 CB MET A 139 -7.771 4.296 8.869 1.00 0.41 C ATOM 827 CG MET A 139 -8.252 4.352 7.427 1.00 0.61 C ATOM 828 SD MET A 139 -7.742 2.929 6.443 1.00 0.90 S ATOM 829 CE MET A 139 -8.886 1.681 7.027 1.00 0.54 C ATOM 0 H MET A 139 -8.967 2.598 10.525 1.00 0.42 H new ATOM 0 HA MET A 139 -8.666 5.532 10.389 1.00 0.41 H new ATOM 0 HB2 MET A 139 -6.966 5.020 8.998 1.00 0.41 H new ATOM 0 HB3 MET A 139 -7.347 3.310 9.058 1.00 0.41 H new ATOM 0 HG2 MET A 139 -9.340 4.419 7.418 1.00 0.61 H new ATOM 0 HG3 MET A 139 -7.872 5.261 6.961 1.00 0.61 H new ATOM 0 HE1 MET A 139 -8.683 0.737 6.522 1.00 0.54 H new ATOM 0 HE2 MET A 139 -8.765 1.551 8.102 1.00 0.54 H new ATOM 0 HE3 MET A 139 -9.908 1.995 6.812 1.00 0.54 H new ATOM 839 N THR A 140 -10.718 5.844 9.083 1.00 0.42 N ATOM 840 CA THR A 140 -11.629 6.095 8.002 1.00 0.43 C ATOM 841 C THR A 140 -11.619 7.577 7.686 1.00 0.41 C ATOM 842 O THR A 140 -12.270 8.404 8.328 1.00 0.48 O ATOM 843 CB THR A 140 -13.053 5.604 8.362 1.00 0.53 C ATOM 844 OG1 THR A 140 -14.027 6.131 7.451 1.00 0.61 O ATOM 845 CG2 THR A 140 -13.422 5.967 9.799 1.00 0.58 C ATOM 0 H THR A 140 -10.519 6.646 9.681 1.00 0.42 H new ATOM 0 HA THR A 140 -11.312 5.542 7.118 1.00 0.43 H new ATOM 0 HB THR A 140 -13.051 4.517 8.276 1.00 0.53 H new ATOM 0 HG1 THR A 140 -14.917 5.805 7.699 1.00 0.61 H new ATOM 0 HG21 THR A 140 -14.427 5.608 10.018 1.00 0.58 H new ATOM 0 HG22 THR A 140 -12.713 5.503 10.485 1.00 0.58 H new ATOM 0 HG23 THR A 140 -13.389 7.050 9.921 1.00 0.58 H new ATOM 853 N ARG A 141 -10.831 7.864 6.672 1.00 0.35 N ATOM 854 CA ARG A 141 -10.773 9.125 5.964 1.00 0.36 C ATOM 855 C ARG A 141 -9.985 8.855 4.680 1.00 0.32 C ATOM 856 O ARG A 141 -9.281 7.850 4.618 1.00 0.32 O ATOM 857 CB ARG A 141 -10.130 10.216 6.831 1.00 0.40 C ATOM 858 CG ARG A 141 -9.153 9.668 7.846 1.00 0.43 C ATOM 859 CD ARG A 141 -9.724 9.682 9.248 1.00 0.53 C ATOM 860 NE ARG A 141 -9.989 11.036 9.730 1.00 0.87 N ATOM 861 CZ ARG A 141 -11.190 11.467 10.118 1.00 1.27 C ATOM 862 NH1 ARG A 141 -12.253 10.677 10.018 1.00 1.53 N ATOM 863 NH2 ARG A 141 -11.333 12.698 10.587 1.00 1.77 N ATOM 0 H ARG A 141 -10.173 7.181 6.297 1.00 0.35 H new ATOM 0 HA ARG A 141 -11.768 9.500 5.724 1.00 0.36 H new ATOM 0 HB2 ARG A 141 -9.614 10.927 6.186 1.00 0.40 H new ATOM 0 HB3 ARG A 141 -10.914 10.767 7.351 1.00 0.40 H new ATOM 0 HG2 ARG A 141 -8.883 8.647 7.575 1.00 0.43 H new ATOM 0 HG3 ARG A 141 -8.236 10.257 7.822 1.00 0.43 H new ATOM 0 HD2 ARG A 141 -10.649 9.106 9.266 1.00 0.53 H new ATOM 0 HD3 ARG A 141 -9.028 9.188 9.926 1.00 0.53 H new ATOM 0 HE ARG A 141 -9.208 11.691 9.772 1.00 0.87 H new ATOM 0 HH11 ARG A 141 -12.154 9.734 9.642 1.00 1.53 H new ATOM 0 HH12 ARG A 141 -13.168 11.013 10.317 1.00 1.53 H new ATOM 0 HH21 ARG A 141 -10.524 13.316 10.651 1.00 1.77 H new ATOM 0 HH22 ARG A 141 -12.252 13.027 10.884 1.00 1.77 H new ATOM 877 N PRO A 142 -10.063 9.698 3.651 1.00 0.35 N ATOM 878 CA PRO A 142 -9.244 9.506 2.445 1.00 0.36 C ATOM 879 C PRO A 142 -7.780 9.914 2.673 1.00 0.30 C ATOM 880 O PRO A 142 -7.526 11.037 3.115 1.00 0.33 O ATOM 881 CB PRO A 142 -9.923 10.424 1.427 1.00 0.45 C ATOM 882 CG PRO A 142 -10.556 11.503 2.238 1.00 0.62 C ATOM 883 CD PRO A 142 -10.938 10.880 3.556 1.00 0.44 C ATOM 0 HA PRO A 142 -9.194 8.464 2.128 1.00 0.36 H new ATOM 0 HB2 PRO A 142 -9.200 10.834 0.722 1.00 0.45 H new ATOM 0 HB3 PRO A 142 -10.667 9.882 0.842 1.00 0.45 H new ATOM 0 HG2 PRO A 142 -9.865 12.332 2.387 1.00 0.62 H new ATOM 0 HG3 PRO A 142 -11.433 11.906 1.731 1.00 0.62 H new ATOM 0 HD2 PRO A 142 -10.774 11.567 4.386 1.00 0.44 H new ATOM 0 HD3 PRO A 142 -11.991 10.601 3.577 1.00 0.44 H new ATOM 891 N GLY A 143 -6.809 9.032 2.349 1.00 0.32 N ATOM 892 CA GLY A 143 -5.431 9.333 2.653 1.00 0.36 C ATOM 893 C GLY A 143 -4.958 8.649 3.917 1.00 0.35 C ATOM 894 O GLY A 143 -4.015 9.101 4.553 1.00 0.51 O ATOM 0 H GLY A 143 -6.967 8.135 1.890 1.00 0.32 H new ATOM 0 HA2 GLY A 143 -4.802 9.024 1.818 1.00 0.36 H new ATOM 0 HA3 GLY A 143 -5.312 10.411 2.760 1.00 0.36 H new ATOM 898 N GLU A 144 -5.619 7.562 4.288 1.00 0.27 N ATOM 899 CA GLU A 144 -5.265 6.817 5.474 1.00 0.28 C ATOM 900 C GLU A 144 -5.108 5.344 5.128 1.00 0.29 C ATOM 901 O GLU A 144 -5.376 4.940 4.000 1.00 0.43 O ATOM 902 CB GLU A 144 -6.334 6.996 6.558 1.00 0.30 C ATOM 903 CG GLU A 144 -6.195 8.267 7.381 1.00 0.71 C ATOM 904 CD GLU A 144 -6.338 9.562 6.604 1.00 1.59 C ATOM 905 OE1 GLU A 144 -7.126 9.606 5.650 1.00 2.16 O ATOM 906 OE2 GLU A 144 -5.696 10.567 6.990 1.00 1.95 O ATOM 0 H GLU A 144 -6.412 7.178 3.774 1.00 0.27 H new ATOM 0 HA GLU A 144 -4.318 7.196 5.859 1.00 0.28 H new ATOM 0 HB2 GLU A 144 -7.316 6.991 6.085 1.00 0.30 H new ATOM 0 HB3 GLU A 144 -6.299 6.138 7.230 1.00 0.30 H new ATOM 0 HG2 GLU A 144 -6.945 8.252 8.171 1.00 0.71 H new ATOM 0 HG3 GLU A 144 -5.220 8.260 7.867 1.00 0.71 H new ATOM 913 N PHE A 145 -4.633 4.563 6.081 1.00 0.22 N ATOM 914 CA PHE A 145 -4.527 3.119 5.926 1.00 0.21 C ATOM 915 C PHE A 145 -4.358 2.512 7.287 1.00 0.22 C ATOM 916 O PHE A 145 -4.189 3.232 8.268 1.00 0.28 O ATOM 917 CB PHE A 145 -3.310 2.739 5.102 1.00 0.18 C ATOM 918 CG PHE A 145 -2.019 3.087 5.746 1.00 0.15 C ATOM 919 CD1 PHE A 145 -1.422 2.200 6.601 1.00 0.16 C ATOM 920 CD2 PHE A 145 -1.404 4.307 5.496 1.00 0.16 C ATOM 921 CE1 PHE A 145 -0.239 2.515 7.209 1.00 0.17 C ATOM 922 CE2 PHE A 145 -0.215 4.624 6.099 1.00 0.18 C ATOM 923 CZ PHE A 145 0.390 3.738 6.920 1.00 0.18 C ATOM 0 H PHE A 145 -4.309 4.909 6.984 1.00 0.22 H new ATOM 0 HA PHE A 145 -5.425 2.760 5.423 1.00 0.21 H new ATOM 0 HB2 PHE A 145 -3.333 1.666 4.911 1.00 0.18 H new ATOM 0 HB3 PHE A 145 -3.368 3.236 4.134 1.00 0.18 H new ATOM 0 HD1 PHE A 145 -1.889 1.246 6.796 1.00 0.16 H new ATOM 0 HD2 PHE A 145 -1.867 5.012 4.821 1.00 0.16 H new ATOM 0 HE1 PHE A 145 0.211 1.826 7.909 1.00 0.17 H new ATOM 0 HE2 PHE A 145 0.240 5.586 5.917 1.00 0.18 H new ATOM 0 HZ PHE A 145 1.353 3.969 7.352 1.00 0.18 H new ATOM 933 N THR A 146 -4.345 1.200 7.347 1.00 0.24 N ATOM 934 CA THR A 146 -4.059 0.540 8.586 1.00 0.24 C ATOM 935 C THR A 146 -3.222 -0.696 8.376 1.00 0.22 C ATOM 936 O THR A 146 -3.568 -1.569 7.591 1.00 0.24 O ATOM 937 CB THR A 146 -5.326 0.163 9.375 1.00 0.27 C ATOM 938 OG1 THR A 146 -5.930 -1.013 8.831 1.00 0.42 O ATOM 939 CG2 THR A 146 -6.348 1.278 9.354 1.00 0.39 C ATOM 0 H THR A 146 -4.528 0.580 6.558 1.00 0.24 H new ATOM 0 HA THR A 146 -3.498 1.265 9.176 1.00 0.24 H new ATOM 0 HB THR A 146 -5.014 -0.018 10.404 1.00 0.27 H new ATOM 0 HG1 THR A 146 -5.260 -1.522 8.328 1.00 0.42 H new ATOM 0 HG21 THR A 146 -7.228 0.975 9.921 1.00 0.39 H new ATOM 0 HG22 THR A 146 -5.918 2.174 9.802 1.00 0.39 H new ATOM 0 HG23 THR A 146 -6.635 1.489 8.324 1.00 0.39 H new ATOM 947 N VAL A 147 -2.120 -0.763 9.086 1.00 0.22 N ATOM 948 CA VAL A 147 -1.265 -1.930 9.014 1.00 0.23 C ATOM 949 C VAL A 147 -1.000 -2.529 10.399 1.00 0.29 C ATOM 950 O VAL A 147 -0.308 -1.946 11.235 1.00 0.34 O ATOM 951 CB VAL A 147 0.041 -1.618 8.265 1.00 0.24 C ATOM 952 CG1 VAL A 147 0.851 -0.558 8.985 1.00 0.26 C ATOM 953 CG2 VAL A 147 0.848 -2.896 8.053 1.00 0.29 C ATOM 0 H VAL A 147 -1.794 -0.030 9.716 1.00 0.22 H new ATOM 0 HA VAL A 147 -1.796 -2.689 8.440 1.00 0.23 H new ATOM 0 HB VAL A 147 -0.213 -1.212 7.286 1.00 0.24 H new ATOM 0 HG11 VAL A 147 1.768 -0.361 8.429 1.00 0.26 H new ATOM 0 HG12 VAL A 147 0.267 0.359 9.058 1.00 0.26 H new ATOM 0 HG13 VAL A 147 1.102 -0.909 9.986 1.00 0.26 H new ATOM 0 HG21 VAL A 147 1.770 -2.660 7.522 1.00 0.29 H new ATOM 0 HG22 VAL A 147 1.089 -3.338 9.019 1.00 0.29 H new ATOM 0 HG23 VAL A 147 0.262 -3.603 7.466 1.00 0.29 H new ATOM 963 N GLN A 148 -1.571 -3.699 10.638 1.00 0.52 N ATOM 964 CA GLN A 148 -1.425 -4.360 11.925 1.00 0.68 C ATOM 965 C GLN A 148 -0.551 -5.601 11.799 1.00 0.75 C ATOM 966 O GLN A 148 0.490 -5.700 12.451 1.00 1.52 O ATOM 967 CB GLN A 148 -2.797 -4.723 12.496 1.00 1.16 C ATOM 968 CG GLN A 148 -2.743 -5.372 13.870 1.00 1.93 C ATOM 969 CD GLN A 148 -4.120 -5.590 14.466 1.00 2.50 C ATOM 970 OE1 GLN A 148 -5.111 -5.807 13.616 1.00 3.11 O flip ATOM 971 NE2 GLN A 148 -4.289 -5.566 15.684 1.00 3.01 N flip ATOM 0 H GLN A 148 -2.138 -4.209 9.960 1.00 0.52 H new ATOM 0 HA GLN A 148 -0.936 -3.670 12.612 1.00 0.68 H new ATOM 0 HB2 GLN A 148 -3.405 -3.820 12.556 1.00 1.16 H new ATOM 0 HB3 GLN A 148 -3.299 -5.400 11.805 1.00 1.16 H new ATOM 0 HG2 GLN A 148 -2.228 -6.330 13.796 1.00 1.93 H new ATOM 0 HG3 GLN A 148 -2.156 -4.745 14.541 1.00 1.93 H new ATOM 0 HE21 GLN A 148 -3.498 -5.395 16.305 1.00 3.01 H new ATOM 0 HE22 GLN A 148 -5.220 -5.717 16.073 1.00 3.01 H new ATOM 980 N ALA A 149 -0.964 -6.539 10.954 1.00 0.84 N ATOM 981 CA ALA A 149 -0.215 -7.775 10.775 1.00 1.18 C ATOM 982 C ALA A 149 -0.622 -8.508 9.501 1.00 0.92 C ATOM 983 O ALA A 149 0.194 -8.712 8.604 1.00 1.08 O ATOM 984 CB ALA A 149 -0.400 -8.683 11.983 1.00 1.65 C ATOM 0 H ALA A 149 -1.808 -6.467 10.386 1.00 0.84 H new ATOM 0 HA ALA A 149 0.838 -7.509 10.681 1.00 1.18 H new ATOM 0 HB1 ALA A 149 0.165 -9.603 11.836 1.00 1.65 H new ATOM 0 HB2 ALA A 149 -0.041 -8.175 12.878 1.00 1.65 H new ATOM 0 HB3 ALA A 149 -1.457 -8.921 12.101 1.00 1.65 H new ATOM 990 N ASN A 150 -1.891 -8.890 9.418 1.00 0.69 N ATOM 991 CA ASN A 150 -2.364 -9.733 8.322 1.00 0.51 C ATOM 992 C ASN A 150 -2.904 -8.922 7.161 1.00 0.31 C ATOM 993 O ASN A 150 -3.410 -9.480 6.192 1.00 0.31 O ATOM 994 CB ASN A 150 -3.434 -10.699 8.805 1.00 0.64 C ATOM 995 CG ASN A 150 -2.872 -11.796 9.686 1.00 1.08 C ATOM 996 OD1 ASN A 150 -1.706 -12.178 9.562 1.00 1.68 O ATOM 997 ND2 ASN A 150 -3.697 -12.322 10.577 1.00 1.55 N ATOM 0 H ASN A 150 -2.610 -8.631 10.093 1.00 0.69 H new ATOM 0 HA ASN A 150 -1.499 -10.293 7.967 1.00 0.51 H new ATOM 0 HB2 ASN A 150 -4.194 -10.147 9.358 1.00 0.64 H new ATOM 0 HB3 ASN A 150 -3.929 -11.147 7.944 1.00 0.64 H new ATOM 0 HD21 ASN A 150 -3.375 -13.070 11.191 1.00 1.55 H new ATOM 0 HD22 ASN A 150 -4.655 -11.979 10.650 1.00 1.55 H new ATOM 1004 N SER A 151 -2.796 -7.614 7.250 1.00 0.29 N ATOM 1005 CA SER A 151 -3.252 -6.756 6.175 1.00 0.23 C ATOM 1006 C SER A 151 -2.649 -5.372 6.245 1.00 0.26 C ATOM 1007 O SER A 151 -2.220 -4.905 7.303 1.00 0.30 O ATOM 1008 CB SER A 151 -4.777 -6.627 6.179 1.00 0.27 C ATOM 1009 OG SER A 151 -5.266 -6.327 7.474 1.00 0.37 O ATOM 0 H SER A 151 -2.399 -7.122 8.051 1.00 0.29 H new ATOM 0 HA SER A 151 -2.922 -7.232 5.252 1.00 0.23 H new ATOM 0 HB2 SER A 151 -5.079 -5.844 5.484 1.00 0.27 H new ATOM 0 HB3 SER A 151 -5.223 -7.557 5.826 1.00 0.27 H new ATOM 0 HG SER A 151 -5.203 -5.362 7.632 1.00 0.37 H new ATOM 1015 N ILE A 152 -2.617 -4.747 5.088 1.00 0.27 N ATOM 1016 CA ILE A 152 -2.465 -3.317 5.000 1.00 0.30 C ATOM 1017 C ILE A 152 -3.741 -2.793 4.400 1.00 0.30 C ATOM 1018 O ILE A 152 -4.033 -3.013 3.227 1.00 0.34 O ATOM 1019 CB ILE A 152 -1.264 -2.817 4.150 1.00 0.33 C ATOM 1020 CG1 ILE A 152 0.073 -3.251 4.763 1.00 0.38 C ATOM 1021 CG2 ILE A 152 -1.310 -1.293 4.050 1.00 0.40 C ATOM 1022 CD1 ILE A 152 1.300 -2.713 4.037 1.00 0.53 C ATOM 0 H ILE A 152 -2.696 -5.217 4.186 1.00 0.27 H new ATOM 0 HA ILE A 152 -2.259 -2.950 6.006 1.00 0.30 H new ATOM 0 HB ILE A 152 -1.342 -3.259 3.157 1.00 0.33 H new ATOM 0 HG12 ILE A 152 0.107 -2.922 5.802 1.00 0.38 H new ATOM 0 HG13 ILE A 152 0.119 -4.340 4.772 1.00 0.38 H new ATOM 0 HG21 ILE A 152 -0.468 -0.942 3.454 1.00 0.40 H new ATOM 0 HG22 ILE A 152 -2.243 -0.987 3.576 1.00 0.40 H new ATOM 0 HG23 ILE A 152 -1.253 -0.861 5.049 1.00 0.40 H new ATOM 0 HD11 ILE A 152 2.202 -3.067 4.535 1.00 0.53 H new ATOM 0 HD12 ILE A 152 1.294 -3.063 3.005 1.00 0.53 H new ATOM 0 HD13 ILE A 152 1.282 -1.623 4.051 1.00 0.53 H new ATOM 1034 N GLU A 153 -4.514 -2.135 5.210 1.00 0.30 N ATOM 1035 CA GLU A 153 -5.722 -1.531 4.742 1.00 0.37 C ATOM 1036 C GLU A 153 -5.343 -0.148 4.329 1.00 0.52 C ATOM 1037 O GLU A 153 -4.265 0.293 4.666 1.00 1.07 O ATOM 1038 CB GLU A 153 -6.824 -1.511 5.806 1.00 0.41 C ATOM 1039 CG GLU A 153 -7.404 -2.883 6.121 1.00 0.38 C ATOM 1040 CD GLU A 153 -6.842 -3.496 7.389 1.00 0.74 C ATOM 1041 OE1 GLU A 153 -7.622 -3.710 8.340 1.00 1.09 O ATOM 1042 OE2 GLU A 153 -5.627 -3.763 7.448 1.00 1.13 O ATOM 0 H GLU A 153 -4.327 -2.003 6.204 1.00 0.30 H new ATOM 0 HA GLU A 153 -6.143 -2.104 3.916 1.00 0.37 H new ATOM 0 HB2 GLU A 153 -6.423 -1.078 6.722 1.00 0.41 H new ATOM 0 HB3 GLU A 153 -7.628 -0.856 5.470 1.00 0.41 H new ATOM 0 HG2 GLU A 153 -8.487 -2.799 6.215 1.00 0.38 H new ATOM 0 HG3 GLU A 153 -7.208 -3.553 5.284 1.00 0.38 H new ATOM 1049 N MET A 154 -6.184 0.495 3.579 1.00 0.20 N ATOM 1050 CA MET A 154 -5.850 1.764 2.961 1.00 0.21 C ATOM 1051 C MET A 154 -7.082 2.468 2.455 1.00 0.20 C ATOM 1052 O MET A 154 -8.082 1.831 2.150 1.00 0.26 O ATOM 1053 CB MET A 154 -4.886 1.552 1.809 1.00 0.25 C ATOM 1054 CG MET A 154 -5.361 0.524 0.794 1.00 0.39 C ATOM 1055 SD MET A 154 -3.999 -0.119 -0.181 1.00 0.81 S ATOM 1056 CE MET A 154 -2.887 -0.669 1.116 1.00 1.80 C ATOM 0 H MET A 154 -7.126 0.163 3.371 1.00 0.20 H new ATOM 0 HA MET A 154 -5.380 2.387 3.722 1.00 0.21 H new ATOM 0 HB2 MET A 154 -4.726 2.503 1.301 1.00 0.25 H new ATOM 0 HB3 MET A 154 -3.922 1.237 2.207 1.00 0.25 H new ATOM 0 HG2 MET A 154 -5.858 -0.297 1.312 1.00 0.39 H new ATOM 0 HG3 MET A 154 -6.100 0.978 0.133 1.00 0.39 H new ATOM 0 HE1 MET A 154 -1.960 -1.030 0.671 1.00 1.80 H new ATOM 0 HE2 MET A 154 -2.669 0.163 1.785 1.00 1.80 H new ATOM 0 HE3 MET A 154 -3.356 -1.475 1.680 1.00 1.80 H new ATOM 1066 N ILE A 155 -7.001 3.777 2.367 1.00 0.25 N ATOM 1067 CA ILE A 155 -8.024 4.553 1.721 1.00 0.26 C ATOM 1068 C ILE A 155 -7.438 5.444 0.651 1.00 0.35 C ATOM 1069 O ILE A 155 -6.730 6.412 0.933 1.00 0.43 O ATOM 1070 CB ILE A 155 -8.828 5.382 2.715 1.00 0.30 C ATOM 1071 CG1 ILE A 155 -9.462 4.430 3.704 1.00 0.35 C ATOM 1072 CG2 ILE A 155 -9.881 6.174 1.968 1.00 0.39 C ATOM 1073 CD1 ILE A 155 -10.401 5.078 4.679 1.00 0.41 C ATOM 0 H ILE A 155 -6.227 4.327 2.740 1.00 0.25 H new ATOM 0 HA ILE A 155 -8.706 3.844 1.252 1.00 0.26 H new ATOM 0 HB ILE A 155 -8.191 6.088 3.248 1.00 0.30 H new ATOM 0 HG12 ILE A 155 -10.004 3.662 3.153 1.00 0.35 H new ATOM 0 HG13 ILE A 155 -8.672 3.925 4.260 1.00 0.35 H new ATOM 0 HG21 ILE A 155 -10.459 6.769 2.675 1.00 0.39 H new ATOM 0 HG22 ILE A 155 -9.397 6.835 1.249 1.00 0.39 H new ATOM 0 HG23 ILE A 155 -10.546 5.489 1.442 1.00 0.39 H new ATOM 0 HD11 ILE A 155 -10.809 4.321 5.349 1.00 0.41 H new ATOM 0 HD12 ILE A 155 -9.862 5.826 5.261 1.00 0.41 H new ATOM 0 HD13 ILE A 155 -11.215 5.558 4.136 1.00 0.41 H new ATOM 1085 N ARG A 156 -7.749 5.082 -0.575 1.00 0.45 N ATOM 1086 CA ARG A 156 -7.298 5.793 -1.752 1.00 0.64 C ATOM 1087 C ARG A 156 -7.957 7.149 -1.815 1.00 1.04 C ATOM 1088 O ARG A 156 -9.057 7.286 -2.328 1.00 1.40 O ATOM 1089 CB ARG A 156 -7.678 4.981 -2.989 1.00 0.98 C ATOM 1090 CG ARG A 156 -6.854 5.285 -4.222 1.00 0.99 C ATOM 1091 CD ARG A 156 -5.398 4.942 -4.015 1.00 0.95 C ATOM 1092 NE ARG A 156 -5.210 3.851 -3.063 1.00 1.68 N ATOM 1093 CZ ARG A 156 -4.378 3.911 -2.023 1.00 2.27 C ATOM 1094 NH1 ARG A 156 -3.646 5.000 -1.815 1.00 2.49 N ATOM 1095 NH2 ARG A 156 -4.267 2.879 -1.204 1.00 3.13 N ATOM 0 H ARG A 156 -8.332 4.272 -0.785 1.00 0.45 H new ATOM 0 HA ARG A 156 -6.217 5.928 -1.711 1.00 0.64 H new ATOM 0 HB2 ARG A 156 -7.580 3.921 -2.755 1.00 0.98 H new ATOM 0 HB3 ARG A 156 -8.729 5.161 -3.217 1.00 0.98 H new ATOM 0 HG2 ARG A 156 -7.244 4.721 -5.069 1.00 0.99 H new ATOM 0 HG3 ARG A 156 -6.948 6.342 -4.472 1.00 0.99 H new ATOM 0 HD2 ARG A 156 -4.954 4.666 -4.971 1.00 0.95 H new ATOM 0 HD3 ARG A 156 -4.867 5.825 -3.660 1.00 0.95 H new ATOM 0 HE ARG A 156 -5.746 2.994 -3.202 1.00 1.68 H new ATOM 0 HH11 ARG A 156 -3.720 5.793 -2.452 1.00 2.49 H new ATOM 0 HH12 ARG A 156 -3.010 5.043 -1.018 1.00 2.49 H new ATOM 0 HH21 ARG A 156 -4.818 2.036 -1.368 1.00 3.13 H new ATOM 0 HH22 ARG A 156 -3.630 2.925 -0.408 1.00 3.13 H new ATOM 1280 N GLN A 168 -12.453 8.007 -3.471 1.00 0.54 N ATOM 1281 CA GLN A 168 -11.837 7.265 -2.407 1.00 0.41 C ATOM 1282 C GLN A 168 -12.324 5.811 -2.315 1.00 0.38 C ATOM 1283 O GLN A 168 -13.456 5.484 -2.684 1.00 0.47 O ATOM 1284 CB GLN A 168 -12.105 8.011 -1.126 1.00 0.62 C ATOM 1285 CG GLN A 168 -12.312 7.115 0.060 1.00 0.85 C ATOM 1286 CD GLN A 168 -13.146 7.756 1.155 1.00 1.27 C ATOM 1287 OE1 GLN A 168 -12.622 8.407 2.058 1.00 1.69 O ATOM 1288 NE2 GLN A 168 -14.453 7.572 1.084 1.00 1.86 N ATOM 0 HA GLN A 168 -10.767 7.189 -2.603 1.00 0.41 H new ATOM 0 HB2 GLN A 168 -11.269 8.680 -0.923 1.00 0.62 H new ATOM 0 HB3 GLN A 168 -12.989 8.636 -1.257 1.00 0.62 H new ATOM 0 HG2 GLN A 168 -12.798 6.196 -0.267 1.00 0.85 H new ATOM 0 HG3 GLN A 168 -11.341 6.834 0.469 1.00 0.85 H new ATOM 0 HE21 GLN A 168 -14.850 7.026 0.320 1.00 1.86 H new ATOM 0 HE22 GLN A 168 -15.064 7.976 1.794 1.00 1.86 H new ATOM 1297 N VAL A 169 -11.454 4.967 -1.772 1.00 0.33 N ATOM 1298 CA VAL A 169 -11.691 3.529 -1.636 1.00 0.30 C ATOM 1299 C VAL A 169 -10.902 2.982 -0.456 1.00 0.26 C ATOM 1300 O VAL A 169 -9.709 3.249 -0.328 1.00 0.28 O ATOM 1301 CB VAL A 169 -11.276 2.712 -2.887 1.00 0.33 C ATOM 1302 CG1 VAL A 169 -11.244 1.219 -2.560 1.00 0.36 C ATOM 1303 CG2 VAL A 169 -12.216 2.972 -4.056 1.00 0.41 C ATOM 0 H VAL A 169 -10.549 5.264 -1.407 1.00 0.33 H new ATOM 0 HA VAL A 169 -12.766 3.420 -1.495 1.00 0.30 H new ATOM 0 HB VAL A 169 -10.277 3.035 -3.179 1.00 0.33 H new ATOM 0 HG11 VAL A 169 -10.951 0.658 -3.448 1.00 0.36 H new ATOM 0 HG12 VAL A 169 -10.524 1.037 -1.762 1.00 0.36 H new ATOM 0 HG13 VAL A 169 -12.234 0.896 -2.237 1.00 0.36 H new ATOM 0 HG21 VAL A 169 -11.897 2.384 -4.917 1.00 0.41 H new ATOM 0 HG22 VAL A 169 -13.231 2.687 -3.777 1.00 0.41 H new ATOM 0 HG23 VAL A 169 -12.194 4.031 -4.312 1.00 0.41 H new ATOM 1313 N ARG A 170 -11.560 2.219 0.389 1.00 0.27 N ATOM 1314 CA ARG A 170 -10.918 1.527 1.460 1.00 0.29 C ATOM 1315 C ARG A 170 -10.560 0.119 0.992 1.00 0.27 C ATOM 1316 O ARG A 170 -11.454 -0.692 0.743 1.00 0.34 O ATOM 1317 CB ARG A 170 -11.887 1.468 2.607 1.00 0.36 C ATOM 1318 CG ARG A 170 -11.213 1.537 3.941 1.00 0.52 C ATOM 1319 CD ARG A 170 -12.201 1.308 5.047 1.00 0.69 C ATOM 1320 NE ARG A 170 -13.253 2.324 5.065 1.00 1.46 N ATOM 1321 CZ ARG A 170 -13.919 2.683 6.160 1.00 1.84 C ATOM 1322 NH1 ARG A 170 -13.624 2.132 7.331 1.00 1.60 N ATOM 1323 NH2 ARG A 170 -14.875 3.600 6.085 1.00 2.80 N ATOM 0 H ARG A 170 -12.567 2.067 0.342 1.00 0.27 H new ATOM 0 HA ARG A 170 -10.005 2.034 1.772 1.00 0.29 H new ATOM 0 HB2 ARG A 170 -12.596 2.292 2.520 1.00 0.36 H new ATOM 0 HB3 ARG A 170 -12.462 0.544 2.543 1.00 0.36 H new ATOM 0 HG2 ARG A 170 -10.421 0.789 3.993 1.00 0.52 H new ATOM 0 HG3 ARG A 170 -10.740 2.511 4.065 1.00 0.52 H new ATOM 0 HD2 ARG A 170 -12.652 0.322 4.931 1.00 0.69 H new ATOM 0 HD3 ARG A 170 -11.680 1.310 6.004 1.00 0.69 H new ATOM 0 HE ARG A 170 -13.490 2.785 4.186 1.00 1.46 H new ATOM 0 HH11 ARG A 170 -12.885 1.432 7.393 1.00 1.60 H new ATOM 0 HH12 ARG A 170 -14.136 2.409 8.168 1.00 1.60 H new ATOM 0 HH21 ARG A 170 -15.100 4.030 5.188 1.00 2.80 H new ATOM 0 HH22 ARG A 170 -15.385 3.875 6.924 1.00 2.80 H new ATOM 1337 N ALA A 171 -9.275 -0.187 0.842 1.00 0.24 N ATOM 1338 CA ALA A 171 -8.913 -1.481 0.291 1.00 0.22 C ATOM 1339 C ALA A 171 -8.206 -2.339 1.315 1.00 0.22 C ATOM 1340 O ALA A 171 -7.411 -1.858 2.123 1.00 0.29 O ATOM 1341 CB ALA A 171 -8.078 -1.335 -0.975 1.00 0.24 C ATOM 0 H ALA A 171 -8.494 0.422 1.086 1.00 0.24 H new ATOM 0 HA ALA A 171 -9.839 -1.987 0.018 1.00 0.22 H new ATOM 0 HB1 ALA A 171 -7.825 -2.323 -1.360 1.00 0.24 H new ATOM 0 HB2 ALA A 171 -8.648 -0.788 -1.726 1.00 0.24 H new ATOM 0 HB3 ALA A 171 -7.162 -0.790 -0.746 1.00 0.24 H new ATOM 1347 N ARG A 172 -8.535 -3.610 1.270 1.00 0.19 N ATOM 1348 CA ARG A 172 -8.019 -4.592 2.208 1.00 0.19 C ATOM 1349 C ARG A 172 -6.923 -5.418 1.568 1.00 0.20 C ATOM 1350 O ARG A 172 -7.205 -6.325 0.793 1.00 0.28 O ATOM 1351 CB ARG A 172 -9.150 -5.525 2.607 1.00 0.20 C ATOM 1352 CG ARG A 172 -8.776 -6.616 3.607 1.00 0.38 C ATOM 1353 CD ARG A 172 -8.261 -6.039 4.916 1.00 0.24 C ATOM 1354 NE ARG A 172 -8.454 -6.962 6.034 1.00 0.96 N ATOM 1355 CZ ARG A 172 -9.153 -6.671 7.136 1.00 0.95 C ATOM 1356 NH1 ARG A 172 -9.745 -5.487 7.270 1.00 1.08 N ATOM 1357 NH2 ARG A 172 -9.265 -7.573 8.102 1.00 1.71 N ATOM 0 H ARG A 172 -9.174 -3.999 0.576 1.00 0.19 H new ATOM 0 HA ARG A 172 -7.614 -4.071 3.076 1.00 0.19 H new ATOM 0 HB2 ARG A 172 -9.958 -4.929 3.031 1.00 0.20 H new ATOM 0 HB3 ARG A 172 -9.542 -5.999 1.707 1.00 0.20 H new ATOM 0 HG2 ARG A 172 -9.647 -7.241 3.804 1.00 0.38 H new ATOM 0 HG3 ARG A 172 -8.014 -7.261 3.171 1.00 0.38 H new ATOM 0 HD2 ARG A 172 -7.201 -5.805 4.817 1.00 0.24 H new ATOM 0 HD3 ARG A 172 -8.776 -5.102 5.127 1.00 0.24 H new ATOM 0 HE ARG A 172 -8.028 -7.887 5.969 1.00 0.96 H new ATOM 0 HH11 ARG A 172 -9.668 -4.791 6.528 1.00 1.08 H new ATOM 0 HH12 ARG A 172 -10.276 -5.275 8.115 1.00 1.08 H new ATOM 0 HH21 ARG A 172 -8.819 -8.485 8.003 1.00 1.71 H new ATOM 0 HH22 ARG A 172 -9.797 -7.355 8.944 1.00 1.71 H new ATOM 1371 N LEU A 173 -5.688 -5.106 1.872 1.00 0.18 N ATOM 1372 CA LEU A 173 -4.583 -5.908 1.395 1.00 0.21 C ATOM 1373 C LEU A 173 -4.249 -6.979 2.402 1.00 0.21 C ATOM 1374 O LEU A 173 -3.515 -6.737 3.350 1.00 0.23 O ATOM 1375 CB LEU A 173 -3.368 -5.041 1.130 1.00 0.27 C ATOM 1376 CG LEU A 173 -3.428 -4.252 -0.164 1.00 0.40 C ATOM 1377 CD1 LEU A 173 -4.544 -3.220 -0.117 1.00 0.28 C ATOM 1378 CD2 LEU A 173 -2.081 -3.614 -0.431 1.00 0.69 C ATOM 0 H LEU A 173 -5.420 -4.306 2.445 1.00 0.18 H new ATOM 0 HA LEU A 173 -4.878 -6.381 0.458 1.00 0.21 H new ATOM 0 HB2 LEU A 173 -3.246 -4.345 1.960 1.00 0.27 H new ATOM 0 HB3 LEU A 173 -2.482 -5.675 1.113 1.00 0.27 H new ATOM 0 HG LEU A 173 -3.656 -4.928 -0.989 1.00 0.40 H new ATOM 0 HD11 LEU A 173 -4.568 -2.667 -1.056 1.00 0.28 H new ATOM 0 HD12 LEU A 173 -5.499 -3.724 0.031 1.00 0.28 H new ATOM 0 HD13 LEU A 173 -4.366 -2.529 0.707 1.00 0.28 H new ATOM 0 HD21 LEU A 173 -2.125 -3.047 -1.361 1.00 0.69 H new ATOM 0 HD22 LEU A 173 -1.826 -2.944 0.390 1.00 0.69 H new ATOM 0 HD23 LEU A 173 -1.321 -4.391 -0.515 1.00 0.69 H new ATOM 1390 N THR A 174 -4.776 -8.160 2.185 1.00 0.20 N ATOM 1391 CA THR A 174 -4.637 -9.224 3.141 1.00 0.21 C ATOM 1392 C THR A 174 -3.499 -10.126 2.794 1.00 0.21 C ATOM 1393 O THR A 174 -3.456 -10.760 1.740 1.00 0.25 O ATOM 1394 CB THR A 174 -5.931 -10.016 3.294 1.00 0.23 C ATOM 1395 OG1 THR A 174 -6.871 -9.632 2.277 1.00 0.26 O ATOM 1396 CG2 THR A 174 -6.506 -9.745 4.665 1.00 0.26 C ATOM 0 H THR A 174 -5.307 -8.406 1.350 1.00 0.20 H new ATOM 0 HA THR A 174 -4.416 -8.762 4.103 1.00 0.21 H new ATOM 0 HB THR A 174 -5.726 -11.081 3.185 1.00 0.23 H new ATOM 0 HG1 THR A 174 -6.892 -10.317 1.576 1.00 0.26 H new ATOM 0 HG21 THR A 174 -7.433 -10.306 4.788 1.00 0.26 H new ATOM 0 HG22 THR A 174 -5.791 -10.054 5.427 1.00 0.26 H new ATOM 0 HG23 THR A 174 -6.710 -8.679 4.770 1.00 0.26 H new ATOM 1404 N PHE A 175 -2.570 -10.134 3.706 1.00 0.23 N ATOM 1405 CA PHE A 175 -1.362 -10.888 3.574 1.00 0.25 C ATOM 1406 C PHE A 175 -1.584 -12.294 4.059 1.00 0.32 C ATOM 1407 O PHE A 175 -2.139 -12.514 5.138 1.00 0.43 O ATOM 1408 CB PHE A 175 -0.231 -10.263 4.399 1.00 0.33 C ATOM 1409 CG PHE A 175 0.179 -8.869 4.016 1.00 0.33 C ATOM 1410 CD1 PHE A 175 -0.710 -8.064 3.332 1.00 0.40 C ATOM 1411 CD2 PHE A 175 1.432 -8.364 4.318 1.00 0.63 C ATOM 1412 CE1 PHE A 175 -0.364 -6.786 2.956 1.00 0.43 C ATOM 1413 CE2 PHE A 175 1.786 -7.085 3.947 1.00 0.72 C ATOM 1414 CZ PHE A 175 0.986 -6.298 3.353 1.00 0.51 C ATOM 0 H PHE A 175 -2.634 -9.607 4.577 1.00 0.23 H new ATOM 0 HA PHE A 175 -1.081 -10.888 2.521 1.00 0.25 H new ATOM 0 HB2 PHE A 175 -0.535 -10.255 5.446 1.00 0.33 H new ATOM 0 HB3 PHE A 175 0.644 -10.909 4.326 1.00 0.33 H new ATOM 0 HD1 PHE A 175 -1.692 -8.443 3.088 1.00 0.40 H new ATOM 0 HD2 PHE A 175 2.141 -8.980 4.851 1.00 0.63 H new ATOM 0 HE1 PHE A 175 -1.044 -6.162 2.395 1.00 0.43 H new ATOM 0 HE2 PHE A 175 2.784 -6.738 4.170 1.00 0.72 H new ATOM 0 HZ PHE A 175 1.282 -5.282 3.137 1.00 0.51 H new ATOM 1424 N ASP A 176 -1.158 -13.241 3.261 1.00 0.28 N ATOM 1425 CA ASP A 176 -0.999 -14.597 3.730 1.00 0.34 C ATOM 1426 C ASP A 176 0.254 -14.624 4.556 1.00 0.35 C ATOM 1427 O ASP A 176 1.263 -15.220 4.177 1.00 0.35 O ATOM 1428 CB ASP A 176 -0.848 -15.548 2.555 1.00 0.34 C ATOM 1429 CG ASP A 176 -0.812 -17.007 2.968 1.00 0.64 C ATOM 1430 OD1 ASP A 176 -1.849 -17.520 3.445 1.00 0.71 O ATOM 1431 OD2 ASP A 176 0.244 -17.653 2.805 1.00 1.09 O ATOM 0 H ASP A 176 -0.914 -13.098 2.281 1.00 0.28 H new ATOM 0 HA ASP A 176 -1.869 -14.909 4.308 1.00 0.34 H new ATOM 0 HB2 ASP A 176 -1.675 -15.394 1.862 1.00 0.34 H new ATOM 0 HB3 ASP A 176 0.068 -15.307 2.016 1.00 0.34 H new ATOM 1436 N GLY A 177 0.205 -13.923 5.660 1.00 0.39 N ATOM 1437 CA GLY A 177 1.386 -13.791 6.452 1.00 0.43 C ATOM 1438 C GLY A 177 2.296 -12.737 5.862 1.00 0.42 C ATOM 1439 O GLY A 177 2.088 -11.541 6.064 1.00 0.47 O ATOM 0 H GLY A 177 -0.623 -13.447 6.019 1.00 0.39 H new ATOM 0 HA2 GLY A 177 1.119 -13.521 7.474 1.00 0.43 H new ATOM 0 HA3 GLY A 177 1.908 -14.746 6.501 1.00 0.43 H new ATOM 1443 N ASP A 178 3.303 -13.180 5.123 1.00 0.39 N ATOM 1444 CA ASP A 178 4.261 -12.275 4.514 1.00 0.43 C ATOM 1445 C ASP A 178 3.835 -11.798 3.143 1.00 0.38 C ATOM 1446 O ASP A 178 4.363 -10.803 2.643 1.00 0.44 O ATOM 1447 CB ASP A 178 5.609 -12.957 4.369 1.00 0.49 C ATOM 1448 CG ASP A 178 6.337 -13.110 5.687 1.00 0.62 C ATOM 1449 OD1 ASP A 178 6.960 -12.126 6.142 1.00 0.83 O ATOM 1450 OD2 ASP A 178 6.301 -14.210 6.276 1.00 0.69 O ATOM 0 H ASP A 178 3.476 -14.167 4.931 1.00 0.39 H new ATOM 0 HA ASP A 178 4.322 -11.412 5.177 1.00 0.43 H new ATOM 0 HB2 ASP A 178 5.466 -13.941 3.922 1.00 0.49 H new ATOM 0 HB3 ASP A 178 6.229 -12.382 3.682 1.00 0.49 H new ATOM 1455 N HIS A 179 2.898 -12.478 2.511 1.00 0.30 N ATOM 1456 CA HIS A 179 2.646 -12.200 1.135 1.00 0.27 C ATOM 1457 C HIS A 179 1.178 -12.067 0.883 1.00 0.21 C ATOM 1458 O HIS A 179 0.386 -12.937 1.219 1.00 0.19 O ATOM 1459 CB HIS A 179 3.275 -13.263 0.245 1.00 0.31 C ATOM 1460 CG HIS A 179 2.785 -14.662 0.468 1.00 0.35 C ATOM 1461 ND1 HIS A 179 2.070 -15.362 -0.475 1.00 1.21 N ATOM 1462 CD2 HIS A 179 2.913 -15.492 1.528 1.00 0.96 C ATOM 1463 CE1 HIS A 179 1.777 -16.557 -0.005 1.00 1.07 C ATOM 1464 NE2 HIS A 179 2.276 -16.665 1.212 1.00 0.58 N ATOM 0 H HIS A 179 2.318 -13.207 2.927 1.00 0.30 H new ATOM 0 HA HIS A 179 3.111 -11.246 0.884 1.00 0.27 H new ATOM 0 HB2 HIS A 179 3.094 -12.995 -0.796 1.00 0.31 H new ATOM 0 HB3 HIS A 179 4.354 -13.246 0.395 1.00 0.31 H new ATOM 0 HD2 HIS A 179 3.423 -15.272 2.454 1.00 0.96 H new ATOM 0 HE1 HIS A 179 1.221 -17.321 -0.528 1.00 1.07 H new ATOM 0 HE2 HIS A 179 2.201 -17.483 1.816 1.00 0.58 H new ATOM 1473 N LEU A 180 0.853 -10.956 0.286 1.00 0.21 N ATOM 1474 CA LEU A 180 -0.517 -10.598 -0.011 1.00 0.18 C ATOM 1475 C LEU A 180 -1.202 -11.704 -0.766 1.00 0.18 C ATOM 1476 O LEU A 180 -0.705 -12.192 -1.777 1.00 0.21 O ATOM 1477 CB LEU A 180 -0.611 -9.336 -0.825 1.00 0.20 C ATOM 1478 CG LEU A 180 -2.031 -8.823 -0.942 1.00 0.24 C ATOM 1479 CD1 LEU A 180 -2.064 -7.345 -0.710 1.00 0.64 C ATOM 1480 CD2 LEU A 180 -2.613 -9.167 -2.289 1.00 0.59 C ATOM 0 H LEU A 180 1.536 -10.260 -0.015 1.00 0.21 H new ATOM 0 HA LEU A 180 -1.008 -10.433 0.948 1.00 0.18 H new ATOM 0 HB2 LEU A 180 0.013 -8.567 -0.370 1.00 0.20 H new ATOM 0 HB3 LEU A 180 -0.212 -9.521 -1.822 1.00 0.20 H new ATOM 0 HG LEU A 180 -2.641 -9.308 -0.180 1.00 0.24 H new ATOM 0 HD11 LEU A 180 -3.090 -6.986 -0.796 1.00 0.64 H new ATOM 0 HD12 LEU A 180 -1.685 -7.125 0.288 1.00 0.64 H new ATOM 0 HD13 LEU A 180 -1.441 -6.846 -1.453 1.00 0.64 H new ATOM 0 HD21 LEU A 180 -3.634 -8.789 -2.352 1.00 0.59 H new ATOM 0 HD22 LEU A 180 -2.009 -8.712 -3.074 1.00 0.59 H new ATOM 0 HD23 LEU A 180 -2.618 -10.249 -2.417 1.00 0.59 H new ATOM 1492 N ALA A 181 -2.347 -12.073 -0.279 1.00 0.20 N ATOM 1493 CA ALA A 181 -3.103 -13.138 -0.862 1.00 0.23 C ATOM 1494 C ALA A 181 -4.295 -12.573 -1.603 1.00 0.26 C ATOM 1495 O ALA A 181 -4.640 -13.031 -2.692 1.00 0.29 O ATOM 1496 CB ALA A 181 -3.535 -14.092 0.228 1.00 0.27 C ATOM 0 H ALA A 181 -2.784 -11.643 0.536 1.00 0.20 H new ATOM 0 HA ALA A 181 -2.491 -13.685 -1.579 1.00 0.23 H new ATOM 0 HB1 ALA A 181 -4.112 -14.907 -0.209 1.00 0.27 H new ATOM 0 HB2 ALA A 181 -2.655 -14.498 0.726 1.00 0.27 H new ATOM 0 HB3 ALA A 181 -4.150 -13.560 0.954 1.00 0.27 H new ATOM 1502 N THR A 182 -4.897 -11.538 -1.027 1.00 0.26 N ATOM 1503 CA THR A 182 -6.109 -10.974 -1.571 1.00 0.28 C ATOM 1504 C THR A 182 -6.182 -9.482 -1.318 1.00 0.29 C ATOM 1505 O THR A 182 -5.527 -8.964 -0.412 1.00 0.29 O ATOM 1506 CB THR A 182 -7.337 -11.620 -0.922 1.00 0.31 C ATOM 1507 OG1 THR A 182 -7.180 -11.631 0.502 1.00 0.32 O ATOM 1508 CG2 THR A 182 -7.553 -13.038 -1.422 1.00 0.33 C ATOM 0 H THR A 182 -4.558 -11.078 -0.182 1.00 0.26 H new ATOM 0 HA THR A 182 -6.098 -11.165 -2.644 1.00 0.28 H new ATOM 0 HB THR A 182 -8.211 -11.029 -1.196 1.00 0.31 H new ATOM 0 HG1 THR A 182 -7.968 -12.043 0.915 1.00 0.32 H new ATOM 0 HG21 THR A 182 -8.433 -13.464 -0.940 1.00 0.33 H new ATOM 0 HG22 THR A 182 -7.702 -13.024 -2.502 1.00 0.33 H new ATOM 0 HG23 THR A 182 -6.679 -13.645 -1.184 1.00 0.33 H new ATOM 1516 N ILE A 183 -6.968 -8.796 -2.128 1.00 0.31 N ATOM 1517 CA ILE A 183 -7.355 -7.442 -1.838 1.00 0.31 C ATOM 1518 C ILE A 183 -8.853 -7.433 -1.868 1.00 0.20 C ATOM 1519 O ILE A 183 -9.447 -8.217 -2.592 1.00 0.20 O ATOM 1520 CB ILE A 183 -6.787 -6.434 -2.853 1.00 0.42 C ATOM 1521 CG1 ILE A 183 -5.303 -6.741 -3.076 1.00 0.76 C ATOM 1522 CG2 ILE A 183 -6.983 -4.999 -2.370 1.00 0.33 C ATOM 1523 CD1 ILE A 183 -4.629 -5.882 -4.112 1.00 0.45 C ATOM 0 H ILE A 183 -7.350 -9.166 -2.998 1.00 0.31 H new ATOM 0 HA ILE A 183 -6.958 -7.134 -0.871 1.00 0.31 H new ATOM 0 HB ILE A 183 -7.323 -6.530 -3.797 1.00 0.42 H new ATOM 0 HG12 ILE A 183 -4.776 -6.624 -2.129 1.00 0.76 H new ATOM 0 HG13 ILE A 183 -5.203 -7.786 -3.370 1.00 0.76 H new ATOM 0 HG21 ILE A 183 -6.573 -4.308 -3.106 1.00 0.33 H new ATOM 0 HG22 ILE A 183 -8.047 -4.801 -2.240 1.00 0.33 H new ATOM 0 HG23 ILE A 183 -6.470 -4.862 -1.418 1.00 0.33 H new ATOM 0 HD11 ILE A 183 -3.582 -6.172 -4.200 1.00 0.45 H new ATOM 0 HD12 ILE A 183 -5.125 -6.015 -5.074 1.00 0.45 H new ATOM 0 HD13 ILE A 183 -4.691 -4.836 -3.813 1.00 0.45 H new ATOM 1535 N VAL A 184 -9.463 -6.625 -1.056 1.00 0.21 N ATOM 1536 CA VAL A 184 -10.892 -6.627 -0.949 1.00 0.20 C ATOM 1537 C VAL A 184 -11.409 -5.205 -0.912 1.00 0.18 C ATOM 1538 O VAL A 184 -10.872 -4.344 -0.214 1.00 0.20 O ATOM 1539 CB VAL A 184 -11.371 -7.440 0.283 1.00 0.29 C ATOM 1540 CG1 VAL A 184 -12.834 -7.189 0.564 1.00 0.35 C ATOM 1541 CG2 VAL A 184 -11.131 -8.931 0.074 1.00 0.31 C ATOM 0 H VAL A 184 -8.991 -5.951 -0.453 1.00 0.21 H new ATOM 0 HA VAL A 184 -11.303 -7.121 -1.830 1.00 0.20 H new ATOM 0 HB VAL A 184 -10.791 -7.107 1.144 1.00 0.29 H new ATOM 0 HG11 VAL A 184 -13.143 -7.771 1.432 1.00 0.35 H new ATOM 0 HG12 VAL A 184 -12.989 -6.129 0.764 1.00 0.35 H new ATOM 0 HG13 VAL A 184 -13.427 -7.486 -0.301 1.00 0.35 H new ATOM 0 HG21 VAL A 184 -11.474 -9.481 0.950 1.00 0.31 H new ATOM 0 HG22 VAL A 184 -11.681 -9.268 -0.805 1.00 0.31 H new ATOM 0 HG23 VAL A 184 -10.066 -9.111 -0.073 1.00 0.31 H new ATOM 1551 N ASN A 185 -12.435 -4.971 -1.705 1.00 0.21 N ATOM 1552 CA ASN A 185 -13.080 -3.691 -1.792 1.00 0.26 C ATOM 1553 C ASN A 185 -13.978 -3.587 -0.622 1.00 0.29 C ATOM 1554 O ASN A 185 -15.109 -4.016 -0.692 1.00 0.39 O ATOM 1555 CB ASN A 185 -13.919 -3.672 -3.050 1.00 0.37 C ATOM 1556 CG ASN A 185 -14.463 -2.316 -3.434 1.00 0.84 C ATOM 1557 OD1 ASN A 185 -15.476 -2.238 -4.120 1.00 1.77 O ATOM 1558 ND2 ASN A 185 -13.807 -1.245 -3.014 1.00 1.12 N ATOM 0 H ASN A 185 -12.845 -5.680 -2.313 1.00 0.21 H new ATOM 0 HA ASN A 185 -12.359 -2.874 -1.812 1.00 0.26 H new ATOM 0 HB2 ASN A 185 -13.318 -4.053 -3.876 1.00 0.37 H new ATOM 0 HB3 ASN A 185 -14.755 -4.359 -2.921 1.00 0.37 H new ATOM 0 HD21 ASN A 185 -14.141 -0.313 -3.260 1.00 1.12 H new ATOM 0 HD22 ASN A 185 -12.968 -1.352 -2.445 1.00 1.12 H new ATOM 1565 N MET A 186 -13.489 -2.997 0.426 1.00 0.26 N ATOM 1566 CA MET A 186 -14.099 -3.153 1.728 1.00 0.32 C ATOM 1567 C MET A 186 -15.492 -2.530 1.816 1.00 0.38 C ATOM 1568 O MET A 186 -16.163 -2.617 2.846 1.00 0.45 O ATOM 1569 CB MET A 186 -13.152 -2.594 2.768 1.00 0.34 C ATOM 1570 CG MET A 186 -11.818 -3.315 2.776 1.00 0.55 C ATOM 1571 SD MET A 186 -10.939 -3.190 4.341 1.00 0.54 S ATOM 1572 CE MET A 186 -10.300 -1.534 4.189 1.00 0.55 C ATOM 0 H MET A 186 -12.664 -2.397 0.413 1.00 0.26 H new ATOM 0 HA MET A 186 -14.262 -4.214 1.915 1.00 0.32 H new ATOM 0 HB2 MET A 186 -12.989 -1.534 2.575 1.00 0.34 H new ATOM 0 HB3 MET A 186 -13.611 -2.672 3.754 1.00 0.34 H new ATOM 0 HG2 MET A 186 -11.982 -4.367 2.544 1.00 0.55 H new ATOM 0 HG3 MET A 186 -11.190 -2.908 1.983 1.00 0.55 H new ATOM 0 HE1 MET A 186 -10.437 -1.003 5.131 1.00 0.55 H new ATOM 0 HE2 MET A 186 -9.238 -1.575 3.947 1.00 0.55 H new ATOM 0 HE3 MET A 186 -10.833 -1.010 3.396 1.00 0.55 H new ATOM 1582 N GLU A 187 -15.915 -1.915 0.727 1.00 0.39 N ATOM 1583 CA GLU A 187 -17.240 -1.364 0.600 1.00 0.50 C ATOM 1584 C GLU A 187 -18.238 -2.447 0.236 1.00 0.52 C ATOM 1585 O GLU A 187 -19.369 -2.483 0.718 1.00 0.60 O ATOM 1586 CB GLU A 187 -17.196 -0.325 -0.497 1.00 0.59 C ATOM 1587 CG GLU A 187 -16.979 -0.881 -1.881 1.00 0.59 C ATOM 1588 CD GLU A 187 -17.034 0.180 -2.960 1.00 0.80 C ATOM 1589 OE1 GLU A 187 -18.149 0.511 -3.418 1.00 0.89 O ATOM 1590 OE2 GLU A 187 -15.967 0.689 -3.356 1.00 1.02 O ATOM 0 H GLU A 187 -15.335 -1.785 -0.102 1.00 0.39 H new ATOM 0 HA GLU A 187 -17.554 -0.923 1.546 1.00 0.50 H new ATOM 0 HB2 GLU A 187 -18.132 0.234 -0.487 1.00 0.59 H new ATOM 0 HB3 GLU A 187 -16.398 0.384 -0.276 1.00 0.59 H new ATOM 0 HG2 GLU A 187 -16.010 -1.380 -1.919 1.00 0.59 H new ATOM 0 HG3 GLU A 187 -17.736 -1.639 -2.085 1.00 0.59 H new ATOM 1597 N ASN A 188 -17.779 -3.320 -0.623 1.00 0.48 N ATOM 1598 CA ASN A 188 -18.591 -4.390 -1.172 1.00 0.56 C ATOM 1599 C ASN A 188 -18.144 -5.697 -0.585 1.00 0.55 C ATOM 1600 O ASN A 188 -18.888 -6.672 -0.510 1.00 0.65 O ATOM 1601 CB ASN A 188 -18.414 -4.446 -2.678 1.00 0.61 C ATOM 1602 CG ASN A 188 -19.126 -3.330 -3.425 1.00 0.77 C ATOM 1603 OD1 ASN A 188 -20.250 -2.871 -2.898 1.00 1.40 O flip ATOM 1604 ND2 ASN A 188 -18.671 -2.894 -4.483 1.00 1.37 N flip ATOM 0 H ASN A 188 -16.820 -3.313 -0.969 1.00 0.48 H new ATOM 0 HA ASN A 188 -19.638 -4.207 -0.932 1.00 0.56 H new ATOM 0 HB2 ASN A 188 -17.350 -4.404 -2.910 1.00 0.61 H new ATOM 0 HB3 ASN A 188 -18.782 -5.405 -3.042 1.00 0.61 H new ATOM 0 HD21 ASN A 188 -17.802 -3.273 -4.859 1.00 1.37 H new ATOM 0 HD22 ASN A 188 -19.164 -2.154 -4.984 1.00 1.37 H new ATOM 1611 N ASN A 189 -16.882 -5.672 -0.211 1.00 0.46 N ATOM 1612 CA ASN A 189 -16.197 -6.782 0.424 1.00 0.47 C ATOM 1613 C ASN A 189 -15.894 -7.822 -0.630 1.00 0.52 C ATOM 1614 O ASN A 189 -15.862 -9.024 -0.382 1.00 0.59 O ATOM 1615 CB ASN A 189 -17.007 -7.346 1.584 1.00 0.57 C ATOM 1616 CG ASN A 189 -16.234 -8.319 2.468 1.00 0.67 C ATOM 1617 OD1 ASN A 189 -15.539 -7.902 3.398 1.00 1.33 O ATOM 1618 ND2 ASN A 189 -16.371 -9.612 2.217 1.00 1.30 N ATOM 0 H ASN A 189 -16.286 -4.855 -0.344 1.00 0.46 H new ATOM 0 HA ASN A 189 -15.259 -6.440 0.860 1.00 0.47 H new ATOM 0 HB2 ASN A 189 -17.366 -6.520 2.198 1.00 0.57 H new ATOM 0 HB3 ASN A 189 -17.886 -7.853 1.187 1.00 0.57 H new ATOM 0 HD21 ASN A 189 -15.894 -10.298 2.801 1.00 1.30 H new ATOM 0 HD22 ASN A 189 -16.954 -9.922 1.439 1.00 1.30 H new ATOM 1625 N ARG A 190 -15.664 -7.325 -1.829 1.00 0.51 N ATOM 1626 CA ARG A 190 -15.304 -8.169 -2.932 1.00 0.57 C ATOM 1627 C ARG A 190 -13.811 -8.230 -3.040 1.00 0.48 C ATOM 1628 O ARG A 190 -13.109 -7.317 -2.629 1.00 0.37 O ATOM 1629 CB ARG A 190 -15.879 -7.640 -4.236 1.00 0.66 C ATOM 1630 CG ARG A 190 -15.169 -6.405 -4.769 1.00 0.72 C ATOM 1631 CD ARG A 190 -16.120 -5.401 -5.372 1.00 0.74 C ATOM 1632 NE ARG A 190 -16.839 -5.919 -6.531 1.00 1.22 N ATOM 1633 CZ ARG A 190 -17.348 -5.147 -7.493 1.00 1.47 C ATOM 1634 NH1 ARG A 190 -17.192 -3.828 -7.448 1.00 1.27 N ATOM 1635 NH2 ARG A 190 -18.010 -5.697 -8.501 1.00 2.28 N ATOM 0 H ARG A 190 -15.723 -6.333 -2.057 1.00 0.51 H new ATOM 0 HA ARG A 190 -15.712 -9.164 -2.753 1.00 0.57 H new ATOM 0 HB2 ARG A 190 -15.831 -8.427 -4.988 1.00 0.66 H new ATOM 0 HB3 ARG A 190 -16.933 -7.405 -4.088 1.00 0.66 H new ATOM 0 HG2 ARG A 190 -14.614 -5.932 -3.959 1.00 0.72 H new ATOM 0 HG3 ARG A 190 -14.440 -6.706 -5.521 1.00 0.72 H new ATOM 0 HD2 ARG A 190 -16.840 -5.090 -4.614 1.00 0.74 H new ATOM 0 HD3 ARG A 190 -15.562 -4.512 -5.665 1.00 0.74 H new ATOM 0 HE ARG A 190 -16.959 -6.929 -6.610 1.00 1.22 H new ATOM 0 HH11 ARG A 190 -16.681 -3.401 -6.675 1.00 1.27 H new ATOM 0 HH12 ARG A 190 -17.583 -3.243 -8.186 1.00 1.27 H new ATOM 0 HH21 ARG A 190 -18.130 -6.709 -8.541 1.00 2.28 H new ATOM 0 HH22 ARG A 190 -18.400 -5.108 -9.237 1.00 2.28 H new ATOM 1649 N GLN A 191 -13.351 -9.287 -3.618 1.00 0.55 N ATOM 1650 CA GLN A 191 -11.928 -9.465 -3.843 1.00 0.47 C ATOM 1651 C GLN A 191 -11.518 -8.625 -5.031 1.00 0.38 C ATOM 1652 O GLN A 191 -12.172 -8.666 -6.075 1.00 0.59 O ATOM 1653 CB GLN A 191 -11.582 -10.931 -4.073 1.00 0.58 C ATOM 1654 CG GLN A 191 -11.763 -11.787 -2.836 1.00 0.61 C ATOM 1655 CD GLN A 191 -11.298 -13.215 -3.047 1.00 0.75 C ATOM 1656 OE1 GLN A 191 -10.379 -13.473 -3.827 1.00 1.36 O ATOM 1657 NE2 GLN A 191 -11.923 -14.150 -2.353 1.00 1.27 N ATOM 0 H GLN A 191 -13.933 -10.056 -3.951 1.00 0.55 H new ATOM 0 HA GLN A 191 -11.382 -9.143 -2.956 1.00 0.47 H new ATOM 0 HB2 GLN A 191 -12.208 -11.324 -4.874 1.00 0.58 H new ATOM 0 HB3 GLN A 191 -10.548 -11.005 -4.411 1.00 0.58 H new ATOM 0 HG2 GLN A 191 -11.208 -11.346 -2.008 1.00 0.61 H new ATOM 0 HG3 GLN A 191 -12.815 -11.789 -2.550 1.00 0.61 H new ATOM 0 HE21 GLN A 191 -12.679 -13.894 -1.718 1.00 1.27 H new ATOM 0 HE22 GLN A 191 -11.649 -15.128 -2.453 1.00 1.27 H new ATOM 1666 N PHE A 192 -10.453 -7.854 -4.888 1.00 0.25 N ATOM 1667 CA PHE A 192 -10.142 -6.879 -5.903 1.00 0.46 C ATOM 1668 C PHE A 192 -8.969 -7.333 -6.730 1.00 0.63 C ATOM 1669 O PHE A 192 -7.832 -7.129 -6.311 1.00 1.18 O ATOM 1670 CB PHE A 192 -9.712 -5.591 -5.189 1.00 0.58 C ATOM 1671 CG PHE A 192 -10.516 -4.364 -5.498 1.00 0.63 C ATOM 1672 CD1 PHE A 192 -11.281 -4.259 -6.649 1.00 0.84 C ATOM 1673 CD2 PHE A 192 -10.485 -3.299 -4.619 1.00 0.63 C ATOM 1674 CE1 PHE A 192 -12.000 -3.109 -6.914 1.00 0.95 C ATOM 1675 CE2 PHE A 192 -11.201 -2.148 -4.876 1.00 0.70 C ATOM 1676 CZ PHE A 192 -11.960 -2.052 -6.025 1.00 0.81 C ATOM 0 H PHE A 192 -9.808 -7.886 -4.098 1.00 0.25 H new ATOM 0 HA PHE A 192 -11.013 -6.736 -6.543 1.00 0.46 H new ATOM 0 HB2 PHE A 192 -9.752 -5.765 -4.114 1.00 0.58 H new ATOM 0 HB3 PHE A 192 -8.671 -5.391 -5.441 1.00 0.58 H new ATOM 0 HD1 PHE A 192 -11.316 -5.084 -7.345 1.00 0.84 H new ATOM 0 HD2 PHE A 192 -9.892 -3.368 -3.719 1.00 0.63 H new ATOM 0 HE1 PHE A 192 -12.592 -3.037 -7.814 1.00 0.95 H new ATOM 0 HE2 PHE A 192 -11.168 -1.323 -4.179 1.00 0.70 H new ATOM 0 HZ PHE A 192 -12.522 -1.152 -6.229 1.00 0.81 H new ATOM 1686 N GLY A 193 -9.243 -8.071 -7.810 1.00 1.17 N ATOM 1687 CA GLY A 193 -8.484 -8.054 -9.065 1.00 1.28 C ATOM 1688 C GLY A 193 -7.082 -7.500 -8.996 1.00 0.64 C ATOM 1689 O GLY A 193 -6.099 -8.159 -9.342 1.00 0.63 O ATOM 0 H GLY A 193 -10.029 -8.721 -7.836 1.00 1.17 H new ATOM 0 HA2 GLY A 193 -8.429 -9.074 -9.445 1.00 1.28 H new ATOM 0 HA3 GLY A 193 -9.045 -7.472 -9.796 1.00 1.28 H new ATOM 1693 N PHE A 194 -7.035 -6.253 -8.541 1.00 0.41 N ATOM 1694 CA PHE A 194 -5.821 -5.496 -8.376 1.00 0.61 C ATOM 1695 C PHE A 194 -6.094 -4.286 -7.475 1.00 0.66 C ATOM 1696 O PHE A 194 -7.242 -4.047 -7.101 1.00 0.89 O ATOM 1697 CB PHE A 194 -5.281 -5.057 -9.735 1.00 0.86 C ATOM 1698 CG PHE A 194 -6.316 -4.420 -10.624 1.00 1.25 C ATOM 1699 CD1 PHE A 194 -6.908 -5.146 -11.645 1.00 1.36 C ATOM 1700 CD2 PHE A 194 -6.700 -3.102 -10.436 1.00 2.03 C ATOM 1701 CE1 PHE A 194 -7.863 -4.570 -12.462 1.00 2.10 C ATOM 1702 CE2 PHE A 194 -7.652 -2.520 -11.251 1.00 2.80 C ATOM 1703 CZ PHE A 194 -8.235 -3.255 -12.264 1.00 2.80 C ATOM 0 H PHE A 194 -7.871 -5.734 -8.272 1.00 0.41 H new ATOM 0 HA PHE A 194 -5.064 -6.121 -7.903 1.00 0.61 H new ATOM 0 HB2 PHE A 194 -4.465 -4.351 -9.580 1.00 0.86 H new ATOM 0 HB3 PHE A 194 -4.861 -5.924 -10.246 1.00 0.86 H new ATOM 0 HD1 PHE A 194 -6.620 -6.175 -11.805 1.00 1.36 H new ATOM 0 HD2 PHE A 194 -6.250 -2.523 -9.643 1.00 2.03 H new ATOM 0 HE1 PHE A 194 -8.317 -5.147 -13.254 1.00 2.10 H new ATOM 0 HE2 PHE A 194 -7.940 -1.491 -11.096 1.00 2.80 H new ATOM 0 HZ PHE A 194 -8.981 -2.802 -12.901 1.00 2.80 H new ATOM 1713 N PHE A 195 -5.057 -3.527 -7.141 1.00 0.49 N ATOM 1714 CA PHE A 195 -5.240 -2.147 -6.671 1.00 0.43 C ATOM 1715 C PHE A 195 -4.029 -1.273 -7.076 1.00 0.39 C ATOM 1716 O PHE A 195 -2.991 -1.296 -6.442 1.00 0.60 O ATOM 1717 CB PHE A 195 -5.418 -2.149 -5.160 1.00 0.41 C ATOM 1718 CG PHE A 195 -6.227 -0.996 -4.653 1.00 0.36 C ATOM 1719 CD1 PHE A 195 -5.708 -0.158 -3.686 1.00 0.56 C ATOM 1720 CD2 PHE A 195 -7.498 -0.742 -5.137 1.00 0.51 C ATOM 1721 CE1 PHE A 195 -6.437 0.904 -3.214 1.00 0.57 C ATOM 1722 CE2 PHE A 195 -8.229 0.317 -4.670 1.00 0.60 C ATOM 1723 CZ PHE A 195 -7.741 1.119 -3.724 1.00 0.47 C ATOM 0 H PHE A 195 -4.086 -3.835 -7.184 1.00 0.49 H new ATOM 0 HA PHE A 195 -6.131 -1.723 -7.135 1.00 0.43 H new ATOM 0 HB2 PHE A 195 -5.899 -3.080 -4.860 1.00 0.41 H new ATOM 0 HB3 PHE A 195 -4.436 -2.130 -4.686 1.00 0.41 H new ATOM 0 HD1 PHE A 195 -4.717 -0.341 -3.297 1.00 0.56 H new ATOM 0 HD2 PHE A 195 -7.919 -1.388 -5.893 1.00 0.51 H new ATOM 0 HE1 PHE A 195 -6.024 1.565 -2.466 1.00 0.57 H new ATOM 0 HE2 PHE A 195 -9.213 0.505 -5.073 1.00 0.60 H new ATOM 0 HZ PHE A 195 -8.340 1.934 -3.346 1.00 0.47 H new ATOM 1733 N ARG A 196 -4.154 -0.493 -8.133 1.00 0.48 N ATOM 1734 CA ARG A 196 -3.003 0.207 -8.690 1.00 0.46 C ATOM 1735 C ARG A 196 -2.901 1.634 -8.160 1.00 0.48 C ATOM 1736 O ARG A 196 -3.916 2.307 -7.976 1.00 0.66 O ATOM 1737 CB ARG A 196 -3.124 0.220 -10.202 1.00 0.53 C ATOM 1738 CG ARG A 196 -3.947 -0.929 -10.751 1.00 1.29 C ATOM 1739 CD ARG A 196 -3.338 -2.270 -10.387 1.00 1.91 C ATOM 1740 NE ARG A 196 -2.067 -2.479 -11.078 1.00 2.91 N ATOM 1741 CZ ARG A 196 -1.501 -3.669 -11.272 1.00 3.82 C ATOM 1742 NH1 ARG A 196 -1.969 -4.750 -10.664 1.00 4.08 N ATOM 1743 NH2 ARG A 196 -0.447 -3.772 -12.067 1.00 4.77 N ATOM 0 H ARG A 196 -5.033 -0.326 -8.623 1.00 0.48 H new ATOM 0 HA ARG A 196 -2.096 -0.317 -8.388 1.00 0.46 H new ATOM 0 HB2 ARG A 196 -3.575 1.162 -10.515 1.00 0.53 H new ATOM 0 HB3 ARG A 196 -2.126 0.184 -10.639 1.00 0.53 H new ATOM 0 HG2 ARG A 196 -4.963 -0.871 -10.359 1.00 1.29 H new ATOM 0 HG3 ARG A 196 -4.018 -0.842 -11.835 1.00 1.29 H new ATOM 0 HD2 ARG A 196 -3.182 -2.321 -9.309 1.00 1.91 H new ATOM 0 HD3 ARG A 196 -4.032 -3.070 -10.646 1.00 1.91 H new ATOM 0 HE ARG A 196 -1.580 -1.657 -11.436 1.00 2.91 H new ATOM 0 HH11 ARG A 196 -2.772 -4.676 -10.039 1.00 4.08 H new ATOM 0 HH12 ARG A 196 -1.526 -5.655 -10.821 1.00 4.08 H new ATOM 0 HH21 ARG A 196 -0.072 -2.942 -12.527 1.00 4.77 H new ATOM 0 HH22 ARG A 196 -0.010 -4.681 -12.219 1.00 4.77 H new ATOM 1757 N LEU A 197 -1.674 2.086 -7.910 1.00 0.40 N ATOM 1758 CA LEU A 197 -1.452 3.391 -7.310 1.00 0.46 C ATOM 1759 C LEU A 197 -0.850 4.434 -8.235 1.00 0.56 C ATOM 1760 O LEU A 197 -0.455 4.160 -9.369 1.00 0.65 O ATOM 1761 CB LEU A 197 -0.543 3.251 -6.112 1.00 0.64 C ATOM 1762 CG LEU A 197 -1.243 3.006 -4.791 1.00 0.98 C ATOM 1763 CD1 LEU A 197 -0.674 3.953 -3.763 1.00 1.61 C ATOM 1764 CD2 LEU A 197 -2.753 3.183 -4.900 1.00 1.04 C ATOM 0 H LEU A 197 -0.821 1.565 -8.115 1.00 0.40 H new ATOM 0 HA LEU A 197 -2.446 3.748 -7.041 1.00 0.46 H new ATOM 0 HB2 LEU A 197 0.148 2.428 -6.296 1.00 0.64 H new ATOM 0 HB3 LEU A 197 0.056 4.157 -6.024 1.00 0.64 H new ATOM 0 HG LEU A 197 -1.070 1.972 -4.492 1.00 0.98 H new ATOM 0 HD11 LEU A 197 -1.168 3.790 -2.805 1.00 1.61 H new ATOM 0 HD12 LEU A 197 0.396 3.773 -3.655 1.00 1.61 H new ATOM 0 HD13 LEU A 197 -0.838 4.981 -4.085 1.00 1.61 H new ATOM 0 HD21 LEU A 197 -3.212 2.997 -3.929 1.00 1.04 H new ATOM 0 HD22 LEU A 197 -2.978 4.201 -5.219 1.00 1.04 H new ATOM 0 HD23 LEU A 197 -3.150 2.478 -5.630 1.00 1.04 H new ATOM 1776 N ASP A 198 -0.798 5.643 -7.684 1.00 0.64 N ATOM 1777 CA ASP A 198 -0.243 6.821 -8.329 1.00 0.79 C ATOM 1778 C ASP A 198 1.197 7.066 -7.857 1.00 0.86 C ATOM 1779 O ASP A 198 1.702 6.309 -7.030 1.00 1.05 O ATOM 1780 CB ASP A 198 -1.135 8.024 -7.993 1.00 0.95 C ATOM 1781 CG ASP A 198 -2.360 8.084 -8.873 1.00 1.85 C ATOM 1782 OD1 ASP A 198 -2.239 8.544 -10.031 1.00 2.19 O ATOM 1783 OD2 ASP A 198 -3.442 7.653 -8.420 1.00 2.66 O ATOM 0 H ASP A 198 -1.153 5.832 -6.747 1.00 0.64 H new ATOM 0 HA ASP A 198 -0.215 6.673 -9.409 1.00 0.79 H new ATOM 0 HB2 ASP A 198 -1.442 7.967 -6.949 1.00 0.95 H new ATOM 0 HB3 ASP A 198 -0.561 8.944 -8.107 1.00 0.95 H new