USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 937 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 50 THR OG1 : rot 179:sc= 1.26 USER MOD Set 1.2: A 80 SER OG : rot -136:sc= 1.33 USER MOD Set 1.3: A 103 GLN : amide:sc= 0.527 K(o=3.1,f=-2.1!) USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= 0.909 USER MOD Set 2.2: A 115 LYS NZ :NH3+ 143:sc= 1.04 (180deg=0) USER MOD Set 3.1: A 53 ASN : amide:sc= -0.556 K(o=0.65,f=-4.9!) USER MOD Set 3.2: A 99 THR OG1 : rot -101:sc= 1.21 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00151 X(o=-0.0015,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00131 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 178:sc= -0.0425 (180deg=-0.0595) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 66:sc= 1.23 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -33:sc= 0.447 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -154:sc= 0.512 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 78 THR OG1 : rot -44:sc= 1.47 USER MOD Single : A 79 HIS : no HE2:sc= 0.461 K(o=0.46,f=-1.9!) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 170:sc= 0 (180deg=-0.0957) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -100:sc= 1.26 USER MOD Single : A 108 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.17) USER MOD Single : A 110 MET CE :methyl 176:sc= -0.0341 (180deg=-0.0698) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 166:sc=-0.00723 (180deg=-0.131) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -170:sc= 0 USER MOD Single : A 137 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.3) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 ASN : amide:sc= -0.57 K(o=-0.57,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -17.454 6.057 -5.650 1.00 4.27 N ATOM 370 CA VAL A 28 -16.306 5.149 -5.787 1.00 3.56 C ATOM 371 C VAL A 28 -15.617 5.054 -4.419 1.00 3.42 C ATOM 372 O VAL A 28 -15.504 6.062 -3.722 1.00 3.78 O ATOM 373 CB VAL A 28 -15.373 5.638 -6.923 1.00 3.23 C ATOM 374 CG1 VAL A 28 -14.640 6.955 -6.611 1.00 3.33 C ATOM 375 CG2 VAL A 28 -14.369 4.556 -7.323 1.00 3.23 C ATOM 0 HA VAL A 28 -16.617 4.145 -6.076 1.00 3.56 H new ATOM 0 HB VAL A 28 -16.034 5.847 -7.764 1.00 3.23 H new ATOM 0 HG11 VAL A 28 -14.008 7.228 -7.456 1.00 3.33 H new ATOM 0 HG12 VAL A 28 -15.370 7.745 -6.434 1.00 3.33 H new ATOM 0 HG13 VAL A 28 -14.022 6.826 -5.722 1.00 3.33 H new ATOM 0 HG21 VAL A 28 -13.729 4.931 -8.122 1.00 3.23 H new ATOM 0 HG22 VAL A 28 -13.756 4.292 -6.461 1.00 3.23 H new ATOM 0 HG23 VAL A 28 -14.905 3.673 -7.671 1.00 3.23 H new ATOM 385 N THR A 29 -15.294 3.831 -3.972 1.00 3.25 N ATOM 386 CA THR A 29 -14.939 3.546 -2.562 1.00 3.37 C ATOM 387 C THR A 29 -13.439 3.352 -2.439 1.00 2.75 C ATOM 388 O THR A 29 -12.805 2.734 -3.295 1.00 2.76 O ATOM 389 CB THR A 29 -15.722 2.349 -2.020 1.00 4.07 C ATOM 390 OG1 THR A 29 -17.067 2.742 -2.132 1.00 4.57 O ATOM 391 CG2 THR A 29 -15.465 2.038 -0.546 1.00 4.75 C ATOM 0 H THR A 29 -15.270 3.007 -4.573 1.00 3.25 H new ATOM 0 HA THR A 29 -15.221 4.401 -1.947 1.00 3.37 H new ATOM 0 HB THR A 29 -15.434 1.455 -2.573 1.00 4.07 H new ATOM 0 HG1 THR A 29 -17.646 2.023 -1.804 1.00 4.57 H new ATOM 0 HG21 THR A 29 -16.061 1.176 -0.247 1.00 4.75 H new ATOM 0 HG22 THR A 29 -14.408 1.817 -0.400 1.00 4.75 H new ATOM 0 HG23 THR A 29 -15.743 2.899 0.061 1.00 4.75 H new ATOM 399 N VAL A 30 -12.905 3.922 -1.365 1.00 2.79 N ATOM 400 CA VAL A 30 -11.518 4.373 -1.253 1.00 2.56 C ATOM 401 C VAL A 30 -10.630 3.382 -0.507 1.00 2.08 C ATOM 402 O VAL A 30 -11.024 2.777 0.486 1.00 2.65 O ATOM 403 CB VAL A 30 -11.404 5.773 -0.597 1.00 3.79 C ATOM 404 CG1 VAL A 30 -12.043 6.842 -1.500 1.00 4.79 C ATOM 405 CG2 VAL A 30 -12.036 5.844 0.805 1.00 5.08 C ATOM 0 H VAL A 30 -13.444 4.090 -0.515 1.00 2.79 H new ATOM 0 HA VAL A 30 -11.159 4.440 -2.280 1.00 2.56 H new ATOM 0 HB VAL A 30 -10.338 5.965 -0.479 1.00 3.79 H new ATOM 0 HG11 VAL A 30 -11.955 7.819 -1.025 1.00 4.79 H new ATOM 0 HG12 VAL A 30 -11.531 6.858 -2.462 1.00 4.79 H new ATOM 0 HG13 VAL A 30 -13.096 6.607 -1.653 1.00 4.79 H new ATOM 0 HG21 VAL A 30 -11.921 6.851 1.206 1.00 5.08 H new ATOM 0 HG22 VAL A 30 -13.096 5.599 0.739 1.00 5.08 H new ATOM 0 HG23 VAL A 30 -11.539 5.132 1.464 1.00 5.08 H new ATOM 415 N GLN A 31 -9.395 3.301 -0.996 1.00 1.70 N ATOM 416 CA GLN A 31 -8.288 2.480 -0.514 1.00 1.80 C ATOM 417 C GLN A 31 -7.849 2.700 0.934 1.00 1.97 C ATOM 418 O GLN A 31 -7.074 1.888 1.430 1.00 3.23 O ATOM 419 CB GLN A 31 -7.100 2.694 -1.471 1.00 2.20 C ATOM 420 CG GLN A 31 -6.581 4.141 -1.557 1.00 2.36 C ATOM 421 CD GLN A 31 -5.280 4.223 -2.359 1.00 2.39 C ATOM 422 OE1 GLN A 31 -4.270 4.721 -1.900 1.00 2.99 O ATOM 423 NE2 GLN A 31 -5.237 3.701 -3.563 1.00 2.39 N ATOM 0 H GLN A 31 -9.120 3.855 -1.808 1.00 1.70 H new ATOM 0 HA GLN A 31 -8.653 1.453 -0.509 1.00 1.80 H new ATOM 0 HB2 GLN A 31 -6.280 2.049 -1.157 1.00 2.20 H new ATOM 0 HB3 GLN A 31 -7.395 2.371 -2.469 1.00 2.20 H new ATOM 0 HG2 GLN A 31 -7.337 4.773 -2.023 1.00 2.36 H new ATOM 0 HG3 GLN A 31 -6.415 4.530 -0.552 1.00 2.36 H new ATOM 0 HE21 GLN A 31 -6.073 3.278 -3.966 1.00 2.39 H new ATOM 0 HE22 GLN A 31 -4.367 3.718 -4.095 1.00 2.39 H new ATOM 432 N GLY A 32 -8.302 3.779 1.575 1.00 1.58 N ATOM 433 CA GLY A 32 -8.109 4.101 2.996 1.00 1.81 C ATOM 434 C GLY A 32 -6.691 4.504 3.404 1.00 1.61 C ATOM 435 O GLY A 32 -6.532 5.353 4.279 1.00 2.24 O ATOM 0 H GLY A 32 -8.845 4.494 1.091 1.00 1.58 H new ATOM 0 HA2 GLY A 32 -8.787 4.913 3.260 1.00 1.81 H new ATOM 0 HA3 GLY A 32 -8.404 3.235 3.588 1.00 1.81 H new ATOM 439 N ALA A 33 -5.673 3.875 2.806 1.00 1.20 N ATOM 440 CA ALA A 33 -4.259 3.986 3.170 1.00 1.41 C ATOM 441 C ALA A 33 -4.052 3.595 4.646 1.00 1.41 C ATOM 442 O ALA A 33 -3.759 4.434 5.501 1.00 1.62 O ATOM 443 CB ALA A 33 -3.735 5.386 2.804 1.00 2.05 C ATOM 0 H ALA A 33 -5.822 3.245 2.018 1.00 1.20 H new ATOM 0 HA ALA A 33 -3.661 3.279 2.595 1.00 1.41 H new ATOM 0 HB1 ALA A 33 -2.683 5.463 3.077 1.00 2.05 H new ATOM 0 HB2 ALA A 33 -3.845 5.547 1.731 1.00 2.05 H new ATOM 0 HB3 ALA A 33 -4.306 6.141 3.344 1.00 2.05 H new ATOM 449 N THR A 34 -4.260 2.305 4.950 1.00 1.32 N ATOM 450 CA THR A 34 -4.284 1.793 6.331 1.00 1.35 C ATOM 451 C THR A 34 -3.181 0.773 6.565 1.00 1.18 C ATOM 452 O THR A 34 -3.026 -0.165 5.786 1.00 1.29 O ATOM 453 CB THR A 34 -5.646 1.186 6.670 1.00 1.65 C ATOM 454 OG1 THR A 34 -6.656 2.071 6.249 1.00 2.30 O ATOM 455 CG2 THR A 34 -5.846 0.964 8.169 1.00 1.78 C ATOM 0 H THR A 34 -4.417 1.585 4.245 1.00 1.32 H new ATOM 0 HA THR A 34 -4.109 2.641 6.993 1.00 1.35 H new ATOM 0 HB THR A 34 -5.692 0.221 6.166 1.00 1.65 H new ATOM 0 HG1 THR A 34 -7.534 1.690 6.460 1.00 2.30 H new ATOM 0 HG21 THR A 34 -6.831 0.531 8.345 1.00 1.78 H new ATOM 0 HG22 THR A 34 -5.080 0.284 8.542 1.00 1.78 H new ATOM 0 HG23 THR A 34 -5.770 1.918 8.691 1.00 1.78 H new ATOM 463 N VAL A 35 -2.448 0.931 7.662 1.00 1.02 N ATOM 464 CA VAL A 35 -1.421 -0.029 8.121 1.00 0.88 C ATOM 465 C VAL A 35 -2.057 -1.145 8.957 1.00 0.99 C ATOM 466 O VAL A 35 -2.982 -0.904 9.731 1.00 1.04 O ATOM 467 CB VAL A 35 -0.295 0.662 8.920 1.00 0.69 C ATOM 468 CG1 VAL A 35 0.793 -0.281 9.467 1.00 0.84 C ATOM 469 CG2 VAL A 35 0.406 1.724 8.058 1.00 0.78 C ATOM 0 H VAL A 35 -2.544 1.740 8.276 1.00 1.02 H new ATOM 0 HA VAL A 35 -0.971 -0.466 7.229 1.00 0.88 H new ATOM 0 HB VAL A 35 -0.808 1.099 9.777 1.00 0.69 H new ATOM 0 HG11 VAL A 35 1.537 0.300 10.012 1.00 0.84 H new ATOM 0 HG12 VAL A 35 0.339 -1.010 10.138 1.00 0.84 H new ATOM 0 HG13 VAL A 35 1.274 -0.801 8.638 1.00 0.84 H new ATOM 0 HG21 VAL A 35 1.196 2.200 8.638 1.00 0.78 H new ATOM 0 HG22 VAL A 35 0.838 1.250 7.177 1.00 0.78 H new ATOM 0 HG23 VAL A 35 -0.319 2.476 7.747 1.00 0.78 H new ATOM 479 N ALA A 36 -1.510 -2.352 8.817 1.00 1.12 N ATOM 480 CA ALA A 36 -1.767 -3.532 9.631 1.00 1.28 C ATOM 481 C ALA A 36 -0.715 -3.613 10.764 1.00 1.26 C ATOM 482 O ALA A 36 0.374 -4.162 10.588 1.00 1.97 O ATOM 483 CB ALA A 36 -1.721 -4.727 8.671 1.00 1.93 C ATOM 0 H ALA A 36 -0.830 -2.540 8.081 1.00 1.12 H new ATOM 0 HA ALA A 36 -2.737 -3.509 10.127 1.00 1.28 H new ATOM 0 HB1 ALA A 36 -1.908 -5.647 9.226 1.00 1.93 H new ATOM 0 HB2 ALA A 36 -2.484 -4.606 7.902 1.00 1.93 H new ATOM 0 HB3 ALA A 36 -0.739 -4.779 8.202 1.00 1.93 H new ATOM 489 N ALA A 37 -1.033 -3.040 11.928 1.00 0.95 N ATOM 490 CA ALA A 37 -0.214 -3.057 13.147 1.00 1.20 C ATOM 491 C ALA A 37 -0.063 -4.443 13.794 1.00 1.14 C ATOM 492 O ALA A 37 -0.985 -5.253 13.765 1.00 1.27 O ATOM 493 CB ALA A 37 -0.830 -2.099 14.171 1.00 1.60 C ATOM 0 H ALA A 37 -1.907 -2.529 12.054 1.00 0.95 H new ATOM 0 HA ALA A 37 0.787 -2.749 12.845 1.00 1.20 H new ATOM 0 HB1 ALA A 37 -0.230 -2.104 15.081 1.00 1.60 H new ATOM 0 HB2 ALA A 37 -0.854 -1.091 13.757 1.00 1.60 H new ATOM 0 HB3 ALA A 37 -1.845 -2.420 14.405 1.00 1.60 H new ATOM 499 N VAL A 38 1.074 -4.646 14.461 1.00 1.46 N ATOM 500 CA VAL A 38 1.507 -5.888 15.130 1.00 1.69 C ATOM 501 C VAL A 38 2.275 -5.482 16.404 1.00 1.76 C ATOM 502 O VAL A 38 2.750 -4.340 16.448 1.00 1.90 O ATOM 503 CB VAL A 38 2.424 -6.748 14.218 1.00 2.22 C ATOM 504 CG1 VAL A 38 1.622 -7.413 13.088 1.00 3.72 C ATOM 505 CG2 VAL A 38 3.587 -5.949 13.618 1.00 2.06 C ATOM 0 H VAL A 38 1.766 -3.903 14.559 1.00 1.46 H new ATOM 0 HA VAL A 38 0.632 -6.494 15.366 1.00 1.69 H new ATOM 0 HB VAL A 38 2.848 -7.517 14.864 1.00 2.22 H new ATOM 0 HG11 VAL A 38 2.292 -8.008 12.467 1.00 3.72 H new ATOM 0 HG12 VAL A 38 0.856 -8.059 13.517 1.00 3.72 H new ATOM 0 HG13 VAL A 38 1.148 -6.645 12.477 1.00 3.72 H new ATOM 0 HG21 VAL A 38 4.192 -6.603 12.991 1.00 2.06 H new ATOM 0 HG22 VAL A 38 3.193 -5.130 13.015 1.00 2.06 H new ATOM 0 HG23 VAL A 38 4.203 -5.545 14.421 1.00 2.06 H new ATOM 515 N PRO A 39 2.422 -6.354 17.423 1.00 1.80 N ATOM 516 CA PRO A 39 3.126 -6.030 18.668 1.00 1.90 C ATOM 517 C PRO A 39 4.627 -5.748 18.449 1.00 2.10 C ATOM 518 O PRO A 39 5.176 -6.161 17.425 1.00 2.21 O ATOM 519 CB PRO A 39 2.889 -7.228 19.602 1.00 1.94 C ATOM 520 CG PRO A 39 2.627 -8.386 18.643 1.00 2.00 C ATOM 521 CD PRO A 39 1.875 -7.704 17.502 1.00 1.85 C ATOM 0 HA PRO A 39 2.743 -5.106 19.101 1.00 1.90 H new ATOM 0 HB2 PRO A 39 3.755 -7.420 20.235 1.00 1.94 H new ATOM 0 HB3 PRO A 39 2.041 -7.057 20.265 1.00 1.94 H new ATOM 0 HG2 PRO A 39 3.553 -8.847 18.300 1.00 2.00 H new ATOM 0 HG3 PRO A 39 2.033 -9.172 19.108 1.00 2.00 H new ATOM 0 HD2 PRO A 39 2.017 -8.240 16.564 1.00 1.85 H new ATOM 0 HD3 PRO A 39 0.803 -7.682 17.697 1.00 1.85 H new ATOM 529 N PRO A 40 5.305 -5.076 19.407 1.00 2.26 N ATOM 530 CA PRO A 40 6.705 -4.643 19.287 1.00 2.46 C ATOM 531 C PRO A 40 7.723 -5.783 19.175 1.00 2.61 C ATOM 532 O PRO A 40 8.871 -5.555 18.801 1.00 3.10 O ATOM 533 CB PRO A 40 6.978 -3.782 20.525 1.00 2.66 C ATOM 534 CG PRO A 40 5.950 -4.259 21.545 1.00 2.62 C ATOM 535 CD PRO A 40 4.752 -4.601 20.668 1.00 2.33 C ATOM 0 HA PRO A 40 6.831 -4.097 18.352 1.00 2.46 H new ATOM 0 HB2 PRO A 40 7.996 -3.921 20.890 1.00 2.66 H new ATOM 0 HB3 PRO A 40 6.860 -2.721 20.306 1.00 2.66 H new ATOM 0 HG2 PRO A 40 6.304 -5.125 22.104 1.00 2.62 H new ATOM 0 HG3 PRO A 40 5.712 -3.485 22.274 1.00 2.62 H new ATOM 0 HD2 PRO A 40 4.131 -5.365 21.135 1.00 2.33 H new ATOM 0 HD3 PRO A 40 4.119 -3.727 20.513 1.00 2.33 H new ATOM 543 N SER A 41 7.303 -7.015 19.459 1.00 3.29 N ATOM 544 CA SER A 41 8.052 -8.244 19.165 1.00 3.71 C ATOM 545 C SER A 41 8.247 -8.505 17.656 1.00 3.46 C ATOM 546 O SER A 41 9.047 -9.364 17.292 1.00 3.81 O ATOM 547 CB SER A 41 7.322 -9.447 19.799 1.00 4.23 C ATOM 548 OG SER A 41 6.786 -9.127 21.082 1.00 4.66 O ATOM 0 H SER A 41 6.407 -7.195 19.913 1.00 3.29 H new ATOM 0 HA SER A 41 9.047 -8.114 19.591 1.00 3.71 H new ATOM 0 HB2 SER A 41 6.517 -9.772 19.140 1.00 4.23 H new ATOM 0 HB3 SER A 41 8.014 -10.284 19.893 1.00 4.23 H new ATOM 0 HG SER A 41 6.330 -9.912 21.451 1.00 4.66 H new ATOM 554 N ILE A 42 7.539 -7.788 16.766 1.00 2.95 N ATOM 555 CA ILE A 42 7.593 -7.966 15.307 1.00 2.77 C ATOM 556 C ILE A 42 8.076 -6.669 14.636 1.00 2.51 C ATOM 557 O ILE A 42 7.300 -5.734 14.451 1.00 2.89 O ATOM 558 CB ILE A 42 6.208 -8.403 14.769 1.00 2.76 C ATOM 559 CG1 ILE A 42 5.537 -9.570 15.535 1.00 3.18 C ATOM 560 CG2 ILE A 42 6.301 -8.734 13.269 1.00 2.71 C ATOM 561 CD1 ILE A 42 6.279 -10.912 15.494 1.00 3.77 C ATOM 0 H ILE A 42 6.896 -7.049 17.051 1.00 2.95 H new ATOM 0 HA ILE A 42 8.306 -8.754 15.066 1.00 2.77 H new ATOM 0 HB ILE A 42 5.556 -7.545 14.935 1.00 2.76 H new ATOM 0 HG12 ILE A 42 5.418 -9.274 16.577 1.00 3.18 H new ATOM 0 HG13 ILE A 42 4.536 -9.718 15.129 1.00 3.18 H new ATOM 0 HG21 ILE A 42 5.321 -9.040 12.902 1.00 2.71 H new ATOM 0 HG22 ILE A 42 6.634 -7.852 12.722 1.00 2.71 H new ATOM 0 HG23 ILE A 42 7.014 -9.545 13.119 1.00 2.71 H new ATOM 0 HD11 ILE A 42 5.719 -11.655 16.062 1.00 3.77 H new ATOM 0 HD12 ILE A 42 6.375 -11.243 14.460 1.00 3.77 H new ATOM 0 HD13 ILE A 42 7.271 -10.793 15.930 1.00 3.77 H new ATOM 573 N ARG A 43 9.344 -6.610 14.213 1.00 2.08 N ATOM 574 CA ARG A 43 9.939 -5.439 13.543 1.00 1.91 C ATOM 575 C ARG A 43 9.585 -5.313 12.051 1.00 1.55 C ATOM 576 O ARG A 43 10.387 -4.810 11.264 1.00 1.64 O ATOM 577 CB ARG A 43 11.446 -5.343 13.825 1.00 2.21 C ATOM 578 CG ARG A 43 12.321 -6.454 13.215 1.00 3.21 C ATOM 579 CD ARG A 43 13.783 -6.082 13.481 1.00 3.39 C ATOM 580 NE ARG A 43 14.747 -7.100 13.007 1.00 4.29 N ATOM 581 CZ ARG A 43 15.926 -7.354 13.568 1.00 4.66 C ATOM 582 NH1 ARG A 43 16.383 -6.684 14.609 1.00 4.36 N ATOM 583 NH2 ARG A 43 16.708 -8.261 13.044 1.00 5.70 N ATOM 0 H ARG A 43 9.999 -7.384 14.326 1.00 2.08 H new ATOM 0 HA ARG A 43 9.470 -4.563 13.991 1.00 1.91 H new ATOM 0 HB2 ARG A 43 11.804 -4.382 13.455 1.00 2.21 H new ATOM 0 HB3 ARG A 43 11.594 -5.344 14.905 1.00 2.21 H new ATOM 0 HG2 ARG A 43 12.083 -7.419 13.662 1.00 3.21 H new ATOM 0 HG3 ARG A 43 12.136 -6.544 12.145 1.00 3.21 H new ATOM 0 HD2 ARG A 43 14.002 -5.131 12.995 1.00 3.39 H new ATOM 0 HD3 ARG A 43 13.922 -5.932 14.552 1.00 3.39 H new ATOM 0 HE ARG A 43 14.487 -7.649 12.187 1.00 4.29 H new ATOM 0 HH11 ARG A 43 15.825 -5.934 15.018 1.00 4.36 H new ATOM 0 HH12 ARG A 43 17.294 -6.916 15.005 1.00 4.36 H new ATOM 0 HH21 ARG A 43 16.413 -8.769 12.210 1.00 5.70 H new ATOM 0 HH22 ARG A 43 17.613 -8.461 13.469 1.00 5.70 H new ATOM 597 N ASP A 44 8.381 -5.725 11.656 1.00 1.32 N ATOM 598 CA ASP A 44 7.847 -5.571 10.303 1.00 1.18 C ATOM 599 C ASP A 44 6.338 -5.286 10.377 1.00 1.06 C ATOM 600 O ASP A 44 5.601 -5.997 11.062 1.00 1.25 O ATOM 601 CB ASP A 44 8.087 -6.838 9.461 1.00 1.71 C ATOM 602 CG ASP A 44 9.549 -7.286 9.328 1.00 1.89 C ATOM 603 OD1 ASP A 44 10.282 -6.714 8.487 1.00 2.67 O ATOM 604 OD2 ASP A 44 9.926 -8.277 9.995 1.00 2.41 O ATOM 0 H ASP A 44 7.730 -6.190 12.289 1.00 1.32 H new ATOM 0 HA ASP A 44 8.363 -4.739 9.825 1.00 1.18 H new ATOM 0 HB2 ASP A 44 7.515 -7.656 9.899 1.00 1.71 H new ATOM 0 HB3 ASP A 44 7.687 -6.668 8.462 1.00 1.71 H new ATOM 609 N THR A 45 5.879 -4.252 9.673 1.00 1.01 N ATOM 610 CA THR A 45 4.453 -3.933 9.457 1.00 1.17 C ATOM 611 C THR A 45 4.134 -3.996 7.964 1.00 1.01 C ATOM 612 O THR A 45 5.006 -4.244 7.131 1.00 0.80 O ATOM 613 CB THR A 45 4.069 -2.587 10.106 1.00 1.39 C ATOM 614 OG1 THR A 45 5.113 -1.657 9.989 1.00 2.83 O ATOM 615 CG2 THR A 45 3.770 -2.752 11.592 1.00 1.59 C ATOM 0 H THR A 45 6.504 -3.586 9.219 1.00 1.01 H new ATOM 0 HA THR A 45 3.836 -4.681 9.955 1.00 1.17 H new ATOM 0 HB THR A 45 3.181 -2.233 9.582 1.00 1.39 H new ATOM 0 HG1 THR A 45 4.846 -0.811 10.406 1.00 2.83 H new ATOM 0 HG21 THR A 45 3.503 -1.785 12.019 1.00 1.59 H new ATOM 0 HG22 THR A 45 2.941 -3.447 11.721 1.00 1.59 H new ATOM 0 HG23 THR A 45 4.652 -3.141 12.100 1.00 1.59 H new ATOM 623 N ALA A 46 2.875 -3.783 7.583 1.00 1.34 N ATOM 624 CA ALA A 46 2.462 -3.750 6.179 1.00 1.35 C ATOM 625 C ALA A 46 1.315 -2.762 5.979 1.00 1.33 C ATOM 626 O ALA A 46 0.450 -2.656 6.846 1.00 1.31 O ATOM 627 CB ALA A 46 2.072 -5.165 5.724 1.00 1.47 C ATOM 0 H ALA A 46 2.110 -3.628 8.240 1.00 1.34 H new ATOM 0 HA ALA A 46 3.296 -3.408 5.565 1.00 1.35 H new ATOM 0 HB1 ALA A 46 1.765 -5.139 4.679 1.00 1.47 H new ATOM 0 HB2 ALA A 46 2.927 -5.831 5.834 1.00 1.47 H new ATOM 0 HB3 ALA A 46 1.247 -5.529 6.336 1.00 1.47 H new ATOM 633 N ALA A 47 1.299 -2.059 4.846 1.00 1.49 N ATOM 634 CA ALA A 47 0.195 -1.181 4.461 1.00 1.47 C ATOM 635 C ALA A 47 -0.672 -1.813 3.360 1.00 1.38 C ATOM 636 O ALA A 47 -0.177 -2.443 2.421 1.00 1.49 O ATOM 637 CB ALA A 47 0.726 0.207 4.079 1.00 1.54 C ATOM 0 H ALA A 47 2.058 -2.084 4.165 1.00 1.49 H new ATOM 0 HA ALA A 47 -0.463 -1.050 5.320 1.00 1.47 H new ATOM 0 HB1 ALA A 47 -0.107 0.850 3.795 1.00 1.54 H new ATOM 0 HB2 ALA A 47 1.247 0.644 4.931 1.00 1.54 H new ATOM 0 HB3 ALA A 47 1.416 0.114 3.240 1.00 1.54 H new ATOM 643 N TYR A 48 -1.973 -1.593 3.510 1.00 1.31 N ATOM 644 CA TYR A 48 -3.079 -2.047 2.669 1.00 1.41 C ATOM 645 C TYR A 48 -3.650 -0.847 1.882 1.00 1.55 C ATOM 646 O TYR A 48 -3.811 0.244 2.443 1.00 1.78 O ATOM 647 CB TYR A 48 -4.157 -2.637 3.605 1.00 1.91 C ATOM 648 CG TYR A 48 -4.781 -3.957 3.198 1.00 2.35 C ATOM 649 CD1 TYR A 48 -5.969 -3.979 2.443 1.00 4.17 C ATOM 650 CD2 TYR A 48 -4.241 -5.165 3.688 1.00 2.34 C ATOM 651 CE1 TYR A 48 -6.635 -5.198 2.211 1.00 5.41 C ATOM 652 CE2 TYR A 48 -4.907 -6.387 3.467 1.00 3.63 C ATOM 653 CZ TYR A 48 -6.116 -6.404 2.735 1.00 5.02 C ATOM 654 OH TYR A 48 -6.786 -7.575 2.551 1.00 6.50 O ATOM 0 H TYR A 48 -2.314 -1.041 4.297 1.00 1.31 H new ATOM 0 HA TYR A 48 -2.748 -2.799 1.953 1.00 1.41 H new ATOM 0 HB2 TYR A 48 -3.714 -2.763 4.593 1.00 1.91 H new ATOM 0 HB3 TYR A 48 -4.956 -1.902 3.705 1.00 1.91 H new ATOM 0 HD1 TYR A 48 -6.370 -3.060 2.041 1.00 4.17 H new ATOM 0 HD2 TYR A 48 -3.311 -5.153 4.236 1.00 2.34 H new ATOM 0 HE1 TYR A 48 -7.546 -5.212 1.631 1.00 5.41 H new ATOM 0 HE2 TYR A 48 -4.495 -7.307 3.855 1.00 3.63 H new ATOM 0 HH TYR A 48 -6.290 -8.306 2.975 1.00 6.50 H new ATOM 664 N MET A 49 -3.993 -1.038 0.602 1.00 1.57 N ATOM 665 CA MET A 49 -4.538 0.030 -0.263 1.00 1.92 C ATOM 666 C MET A 49 -5.203 -0.506 -1.546 1.00 1.98 C ATOM 667 O MET A 49 -4.529 -0.824 -2.523 1.00 2.72 O ATOM 668 CB MET A 49 -3.473 1.123 -0.549 1.00 2.15 C ATOM 669 CG MET A 49 -2.169 0.600 -1.174 1.00 3.18 C ATOM 670 SD MET A 49 -0.809 1.787 -1.302 1.00 4.44 S ATOM 671 CE MET A 49 -0.192 1.670 0.394 1.00 4.97 C ATOM 0 H MET A 49 -3.902 -1.938 0.131 1.00 1.57 H new ATOM 0 HA MET A 49 -5.345 0.504 0.296 1.00 1.92 H new ATOM 0 HB2 MET A 49 -3.907 1.868 -1.216 1.00 2.15 H new ATOM 0 HB3 MET A 49 -3.234 1.632 0.385 1.00 2.15 H new ATOM 0 HG2 MET A 49 -1.826 -0.252 -0.587 1.00 3.18 H new ATOM 0 HG3 MET A 49 -2.394 0.228 -2.174 1.00 3.18 H new ATOM 0 HE1 MET A 49 0.682 2.311 0.508 1.00 4.97 H new ATOM 0 HE2 MET A 49 -0.970 1.990 1.087 1.00 4.97 H new ATOM 0 HE3 MET A 49 0.084 0.638 0.610 1.00 4.97 H new ATOM 681 N THR A 50 -6.544 -0.559 -1.571 1.00 1.41 N ATOM 682 CA THR A 50 -7.321 -1.070 -2.715 1.00 1.37 C ATOM 683 C THR A 50 -8.365 -0.057 -3.144 1.00 1.28 C ATOM 684 O THR A 50 -9.269 0.265 -2.381 1.00 1.68 O ATOM 685 CB THR A 50 -7.970 -2.404 -2.344 1.00 1.69 C ATOM 686 OG1 THR A 50 -6.923 -3.338 -2.250 1.00 2.86 O ATOM 687 CG2 THR A 50 -8.970 -2.900 -3.390 1.00 2.14 C ATOM 0 H THR A 50 -7.125 -0.247 -0.793 1.00 1.41 H new ATOM 0 HA THR A 50 -6.650 -1.233 -3.558 1.00 1.37 H new ATOM 0 HB THR A 50 -8.527 -2.279 -1.415 1.00 1.69 H new ATOM 0 HG1 THR A 50 -7.285 -4.211 -1.990 1.00 2.86 H new ATOM 0 HG21 THR A 50 -9.394 -3.850 -3.066 1.00 2.14 H new ATOM 0 HG22 THR A 50 -9.768 -2.167 -3.506 1.00 2.14 H new ATOM 0 HG23 THR A 50 -8.461 -3.036 -4.344 1.00 2.14 H new ATOM 695 N LEU A 51 -8.246 0.445 -4.370 1.00 1.45 N ATOM 696 CA LEU A 51 -9.238 1.322 -4.987 1.00 1.44 C ATOM 697 C LEU A 51 -10.175 0.424 -5.799 1.00 1.33 C ATOM 698 O LEU A 51 -9.715 -0.322 -6.664 1.00 1.86 O ATOM 699 CB LEU A 51 -8.502 2.366 -5.857 1.00 1.98 C ATOM 700 CG LEU A 51 -9.226 3.699 -6.138 1.00 2.90 C ATOM 701 CD1 LEU A 51 -10.576 3.527 -6.846 1.00 4.10 C ATOM 702 CD2 LEU A 51 -9.400 4.518 -4.851 1.00 3.64 C ATOM 0 H LEU A 51 -7.446 0.251 -4.972 1.00 1.45 H new ATOM 0 HA LEU A 51 -9.828 1.878 -4.258 1.00 1.44 H new ATOM 0 HB2 LEU A 51 -7.552 2.595 -5.375 1.00 1.98 H new ATOM 0 HB3 LEU A 51 -8.270 1.901 -6.815 1.00 1.98 H new ATOM 0 HG LEU A 51 -8.580 4.244 -6.826 1.00 2.90 H new ATOM 0 HD11 LEU A 51 -11.028 4.505 -7.011 1.00 4.10 H new ATOM 0 HD12 LEU A 51 -10.424 3.031 -7.805 1.00 4.10 H new ATOM 0 HD13 LEU A 51 -11.238 2.922 -6.226 1.00 4.10 H new ATOM 0 HD21 LEU A 51 -9.913 5.452 -5.081 1.00 3.64 H new ATOM 0 HD22 LEU A 51 -9.989 3.947 -4.133 1.00 3.64 H new ATOM 0 HD23 LEU A 51 -8.421 4.737 -4.424 1.00 3.64 H new ATOM 714 N THR A 52 -11.485 0.480 -5.543 1.00 1.36 N ATOM 715 CA THR A 52 -12.472 -0.342 -6.262 1.00 1.76 C ATOM 716 C THR A 52 -13.123 0.487 -7.356 1.00 1.91 C ATOM 717 O THR A 52 -13.561 1.602 -7.091 1.00 2.08 O ATOM 718 CB THR A 52 -13.449 -0.967 -5.262 1.00 2.25 C ATOM 719 OG1 THR A 52 -13.857 -2.199 -5.795 1.00 2.81 O ATOM 720 CG2 THR A 52 -14.681 -0.137 -4.907 1.00 2.61 C ATOM 0 H THR A 52 -11.893 1.092 -4.836 1.00 1.36 H new ATOM 0 HA THR A 52 -11.995 -1.180 -6.770 1.00 1.76 H new ATOM 0 HB THR A 52 -12.908 -1.053 -4.320 1.00 2.25 H new ATOM 0 HG1 THR A 52 -14.485 -2.631 -5.178 1.00 2.81 H new ATOM 0 HG21 THR A 52 -15.295 -0.685 -4.192 1.00 2.61 H new ATOM 0 HG22 THR A 52 -14.368 0.809 -4.466 1.00 2.61 H new ATOM 0 HG23 THR A 52 -15.261 0.057 -5.809 1.00 2.61 H new ATOM 728 N ASN A 53 -13.190 -0.004 -8.595 1.00 2.10 N ATOM 729 CA ASN A 53 -13.879 0.703 -9.681 1.00 2.27 C ATOM 730 C ASN A 53 -15.389 0.408 -9.627 1.00 2.26 C ATOM 731 O ASN A 53 -15.805 -0.733 -9.391 1.00 2.44 O ATOM 732 CB ASN A 53 -13.258 0.318 -11.046 1.00 2.60 C ATOM 733 CG ASN A 53 -12.651 1.504 -11.804 1.00 2.08 C ATOM 734 OD1 ASN A 53 -13.373 2.371 -12.307 1.00 3.19 O ATOM 735 ND2 ASN A 53 -11.329 1.565 -11.949 1.00 2.11 N ATOM 0 H ASN A 53 -12.774 -0.893 -8.874 1.00 2.10 H new ATOM 0 HA ASN A 53 -13.750 1.778 -9.557 1.00 2.27 H new ATOM 0 HB2 ASN A 53 -12.484 -0.433 -10.884 1.00 2.60 H new ATOM 0 HB3 ASN A 53 -14.026 -0.144 -11.667 1.00 2.60 H new ATOM 0 HD21 ASN A 53 -10.909 2.330 -12.477 1.00 2.11 H new ATOM 0 HD22 ASN A 53 -10.737 0.847 -11.532 1.00 2.11 H new ATOM 742 N LYS A 54 -16.195 1.443 -9.867 1.00 2.29 N ATOM 743 CA LYS A 54 -17.658 1.381 -9.950 1.00 2.37 C ATOM 744 C LYS A 54 -18.190 2.653 -10.630 1.00 1.97 C ATOM 745 O LYS A 54 -18.927 3.429 -10.027 1.00 2.27 O ATOM 746 CB LYS A 54 -18.244 1.165 -8.539 1.00 2.99 C ATOM 747 CG LYS A 54 -19.722 0.742 -8.610 1.00 3.31 C ATOM 748 CD LYS A 54 -20.577 1.387 -7.513 1.00 3.65 C ATOM 749 CE LYS A 54 -20.057 1.067 -6.104 1.00 4.11 C ATOM 750 NZ LYS A 54 -20.923 1.678 -5.070 1.00 4.47 N ATOM 0 H LYS A 54 -15.834 2.385 -10.015 1.00 2.29 H new ATOM 0 HA LYS A 54 -17.973 0.536 -10.562 1.00 2.37 H new ATOM 0 HB2 LYS A 54 -17.669 0.401 -8.016 1.00 2.99 H new ATOM 0 HB3 LYS A 54 -18.153 2.084 -7.960 1.00 2.99 H new ATOM 0 HG2 LYS A 54 -20.126 1.012 -9.586 1.00 3.31 H new ATOM 0 HG3 LYS A 54 -19.789 -0.343 -8.526 1.00 3.31 H new ATOM 0 HD2 LYS A 54 -20.592 2.468 -7.655 1.00 3.65 H new ATOM 0 HD3 LYS A 54 -21.606 1.039 -7.606 1.00 3.65 H new ATOM 0 HE2 LYS A 54 -20.021 -0.013 -5.962 1.00 4.11 H new ATOM 0 HE3 LYS A 54 -19.038 1.437 -5.995 1.00 4.11 H new ATOM 0 HZ1 LYS A 54 -20.552 1.448 -4.126 1.00 4.47 H new ATOM 0 HZ2 LYS A 54 -20.937 2.710 -5.195 1.00 4.47 H new ATOM 0 HZ3 LYS A 54 -21.890 1.305 -5.162 1.00 4.47 H new ATOM 764 N SER A 55 -17.768 2.895 -11.869 1.00 1.71 N ATOM 765 CA SER A 55 -17.958 4.131 -12.669 1.00 1.52 C ATOM 766 C SER A 55 -17.059 4.124 -13.913 1.00 1.51 C ATOM 767 O SER A 55 -17.352 4.829 -14.876 1.00 3.00 O ATOM 768 CB SER A 55 -17.661 5.431 -11.892 1.00 1.92 C ATOM 769 OG SER A 55 -18.713 5.809 -11.024 1.00 2.39 O ATOM 0 H SER A 55 -17.245 2.190 -12.389 1.00 1.71 H new ATOM 0 HA SER A 55 -19.014 4.125 -12.939 1.00 1.52 H new ATOM 0 HB2 SER A 55 -16.748 5.300 -11.312 1.00 1.92 H new ATOM 0 HB3 SER A 55 -17.475 6.237 -12.601 1.00 1.92 H new ATOM 0 HG SER A 55 -18.805 5.142 -10.312 1.00 2.39 H new ATOM 775 N ASP A 56 -15.962 3.355 -13.874 1.00 2.09 N ATOM 776 CA ASP A 56 -15.087 3.008 -15.006 1.00 2.25 C ATOM 777 C ASP A 56 -14.151 4.210 -15.312 1.00 2.03 C ATOM 778 O ASP A 56 -14.399 5.014 -16.219 1.00 2.26 O ATOM 779 CB ASP A 56 -15.890 2.457 -16.220 1.00 2.97 C ATOM 780 CG ASP A 56 -16.725 1.170 -15.960 1.00 4.43 C ATOM 781 OD1 ASP A 56 -16.973 0.787 -14.778 1.00 5.64 O ATOM 782 OD2 ASP A 56 -17.091 0.539 -16.991 1.00 5.07 O ATOM 0 H ASP A 56 -15.642 2.934 -13.002 1.00 2.09 H new ATOM 0 HA ASP A 56 -14.439 2.172 -14.741 1.00 2.25 H new ATOM 0 HB2 ASP A 56 -16.564 3.239 -16.569 1.00 2.97 H new ATOM 0 HB3 ASP A 56 -15.190 2.254 -17.031 1.00 2.97 H new ATOM 787 N GLN A 57 -13.123 4.367 -14.461 1.00 1.94 N ATOM 788 CA GLN A 57 -12.494 5.671 -14.191 1.00 1.78 C ATOM 789 C GLN A 57 -10.971 5.550 -13.961 1.00 1.60 C ATOM 790 O GLN A 57 -10.545 5.366 -12.815 1.00 1.78 O ATOM 791 CB GLN A 57 -13.168 6.304 -12.956 1.00 2.16 C ATOM 792 CG GLN A 57 -14.529 6.952 -13.243 1.00 2.21 C ATOM 793 CD GLN A 57 -14.427 8.312 -13.936 1.00 3.06 C ATOM 794 OE1 GLN A 57 -13.426 8.696 -14.517 1.00 3.85 O ATOM 795 NE2 GLN A 57 -15.457 9.124 -13.877 1.00 3.68 N ATOM 0 H GLN A 57 -12.705 3.595 -13.942 1.00 1.94 H new ATOM 0 HA GLN A 57 -12.633 6.304 -15.067 1.00 1.78 H new ATOM 0 HB2 GLN A 57 -13.298 5.536 -12.194 1.00 2.16 H new ATOM 0 HB3 GLN A 57 -12.500 7.058 -12.539 1.00 2.16 H new ATOM 0 HG2 GLN A 57 -15.118 6.279 -13.867 1.00 2.21 H new ATOM 0 HG3 GLN A 57 -15.070 7.072 -12.304 1.00 2.21 H new ATOM 0 HE21 GLN A 57 -16.309 8.833 -13.398 1.00 3.68 H new ATOM 0 HE22 GLN A 57 -15.405 10.046 -14.310 1.00 3.68 H new ATOM 804 N PRO A 58 -10.137 5.688 -15.014 1.00 1.59 N ATOM 805 CA PRO A 58 -8.702 5.428 -14.958 1.00 1.80 C ATOM 806 C PRO A 58 -7.890 6.618 -14.422 1.00 1.87 C ATOM 807 O PRO A 58 -7.141 7.284 -15.140 1.00 2.45 O ATOM 808 CB PRO A 58 -8.325 4.978 -16.370 1.00 2.00 C ATOM 809 CG PRO A 58 -9.255 5.825 -17.235 1.00 1.96 C ATOM 810 CD PRO A 58 -10.539 5.870 -16.404 1.00 1.70 C ATOM 0 HA PRO A 58 -8.456 4.651 -14.234 1.00 1.80 H new ATOM 0 HB2 PRO A 58 -7.275 5.169 -16.592 1.00 2.00 H new ATOM 0 HB3 PRO A 58 -8.492 3.911 -16.516 1.00 2.00 H new ATOM 0 HG2 PRO A 58 -8.850 6.822 -17.409 1.00 1.96 H new ATOM 0 HG3 PRO A 58 -9.421 5.373 -18.213 1.00 1.96 H new ATOM 0 HD2 PRO A 58 -11.055 6.821 -16.538 1.00 1.70 H new ATOM 0 HD3 PRO A 58 -11.230 5.086 -16.714 1.00 1.70 H new ATOM 818 N ILE A 59 -7.997 6.822 -13.108 1.00 1.79 N ATOM 819 CA ILE A 59 -7.009 7.552 -12.292 1.00 1.79 C ATOM 820 C ILE A 59 -5.648 6.813 -12.319 1.00 1.69 C ATOM 821 O ILE A 59 -5.590 5.627 -12.659 1.00 2.12 O ATOM 822 CB ILE A 59 -7.573 7.740 -10.857 1.00 2.06 C ATOM 823 CG1 ILE A 59 -9.020 8.298 -10.833 1.00 2.62 C ATOM 824 CG2 ILE A 59 -6.675 8.632 -9.982 1.00 2.41 C ATOM 825 CD1 ILE A 59 -9.225 9.631 -11.571 1.00 3.46 C ATOM 0 H ILE A 59 -8.788 6.479 -12.564 1.00 1.79 H new ATOM 0 HA ILE A 59 -6.829 8.545 -12.704 1.00 1.79 H new ATOM 0 HB ILE A 59 -7.590 6.733 -10.439 1.00 2.06 H new ATOM 0 HG12 ILE A 59 -9.686 7.554 -11.271 1.00 2.62 H new ATOM 0 HG13 ILE A 59 -9.325 8.427 -9.794 1.00 2.62 H new ATOM 0 HG21 ILE A 59 -7.116 8.730 -8.990 1.00 2.41 H new ATOM 0 HG22 ILE A 59 -5.686 8.181 -9.897 1.00 2.41 H new ATOM 0 HG23 ILE A 59 -6.586 9.618 -10.439 1.00 2.41 H new ATOM 0 HD11 ILE A 59 -10.270 9.933 -11.494 1.00 3.46 H new ATOM 0 HD12 ILE A 59 -8.592 10.397 -11.122 1.00 3.46 H new ATOM 0 HD13 ILE A 59 -8.959 9.510 -12.621 1.00 3.46 H new ATOM 837 N LYS A 60 -4.542 7.493 -11.986 1.00 1.56 N ATOM 838 CA LYS A 60 -3.162 6.982 -12.109 1.00 1.72 C ATOM 839 C LYS A 60 -2.315 7.225 -10.837 1.00 1.39 C ATOM 840 O LYS A 60 -2.100 8.365 -10.423 1.00 1.60 O ATOM 841 CB LYS A 60 -2.482 7.557 -13.374 1.00 2.49 C ATOM 842 CG LYS A 60 -2.720 9.059 -13.628 1.00 3.32 C ATOM 843 CD LYS A 60 -3.976 9.325 -14.487 1.00 4.05 C ATOM 844 CE LYS A 60 -4.772 10.537 -13.994 1.00 4.99 C ATOM 845 NZ LYS A 60 -4.008 11.801 -14.100 1.00 5.82 N ATOM 0 H LYS A 60 -4.580 8.441 -11.612 1.00 1.56 H new ATOM 0 HA LYS A 60 -3.227 5.899 -12.217 1.00 1.72 H new ATOM 0 HB2 LYS A 60 -1.408 7.384 -13.299 1.00 2.49 H new ATOM 0 HB3 LYS A 60 -2.835 6.999 -14.241 1.00 2.49 H new ATOM 0 HG2 LYS A 60 -2.822 9.573 -12.672 1.00 3.32 H new ATOM 0 HG3 LYS A 60 -1.848 9.482 -14.126 1.00 3.32 H new ATOM 0 HD2 LYS A 60 -3.677 9.486 -15.523 1.00 4.05 H new ATOM 0 HD3 LYS A 60 -4.616 8.443 -14.473 1.00 4.05 H new ATOM 0 HE2 LYS A 60 -5.692 10.623 -14.573 1.00 4.99 H new ATOM 0 HE3 LYS A 60 -5.063 10.378 -12.955 1.00 4.99 H new ATOM 0 HZ1 LYS A 60 -4.591 12.589 -13.754 1.00 5.82 H new ATOM 0 HZ2 LYS A 60 -3.143 11.733 -13.527 1.00 5.82 H new ATOM 0 HZ3 LYS A 60 -3.752 11.970 -15.094 1.00 5.82 H new ATOM 859 N LEU A 61 -1.829 6.150 -10.214 1.00 1.34 N ATOM 860 CA LEU A 61 -1.424 6.083 -8.813 1.00 1.53 C ATOM 861 C LEU A 61 -0.357 4.990 -8.648 1.00 1.53 C ATOM 862 O LEU A 61 -0.672 3.811 -8.685 1.00 2.17 O ATOM 863 CB LEU A 61 -2.706 5.756 -8.010 1.00 2.10 C ATOM 864 CG LEU A 61 -2.987 6.705 -6.828 1.00 2.47 C ATOM 865 CD1 LEU A 61 -3.221 8.159 -7.266 1.00 2.73 C ATOM 866 CD2 LEU A 61 -4.232 6.195 -6.087 1.00 3.79 C ATOM 0 H LEU A 61 -1.702 5.261 -10.698 1.00 1.34 H new ATOM 0 HA LEU A 61 -0.986 7.016 -8.458 1.00 1.53 H new ATOM 0 HB2 LEU A 61 -3.559 5.780 -8.688 1.00 2.10 H new ATOM 0 HB3 LEU A 61 -2.630 4.737 -7.630 1.00 2.10 H new ATOM 0 HG LEU A 61 -2.106 6.706 -6.186 1.00 2.47 H new ATOM 0 HD11 LEU A 61 -3.413 8.777 -6.389 1.00 2.73 H new ATOM 0 HD12 LEU A 61 -2.337 8.530 -7.784 1.00 2.73 H new ATOM 0 HD13 LEU A 61 -4.079 8.203 -7.936 1.00 2.73 H new ATOM 0 HD21 LEU A 61 -4.449 6.853 -5.245 1.00 3.79 H new ATOM 0 HD22 LEU A 61 -5.082 6.185 -6.769 1.00 3.79 H new ATOM 0 HD23 LEU A 61 -4.049 5.185 -5.720 1.00 3.79 H new ATOM 878 N VAL A 62 0.912 5.358 -8.480 1.00 1.12 N ATOM 879 CA VAL A 62 2.058 4.426 -8.434 1.00 1.10 C ATOM 880 C VAL A 62 2.211 3.857 -7.009 1.00 1.21 C ATOM 881 O VAL A 62 3.297 3.831 -6.432 1.00 2.26 O ATOM 882 CB VAL A 62 3.361 5.083 -8.971 1.00 1.41 C ATOM 883 CG1 VAL A 62 4.419 4.028 -9.346 1.00 2.00 C ATOM 884 CG2 VAL A 62 3.097 5.937 -10.228 1.00 2.53 C ATOM 0 H VAL A 62 1.188 6.334 -8.369 1.00 1.12 H new ATOM 0 HA VAL A 62 1.860 3.589 -9.104 1.00 1.10 H new ATOM 0 HB VAL A 62 3.728 5.713 -8.160 1.00 1.41 H new ATOM 0 HG11 VAL A 62 5.314 4.527 -9.717 1.00 2.00 H new ATOM 0 HG12 VAL A 62 4.671 3.437 -8.466 1.00 2.00 H new ATOM 0 HG13 VAL A 62 4.021 3.373 -10.121 1.00 2.00 H new ATOM 0 HG21 VAL A 62 4.033 6.378 -10.571 1.00 2.53 H new ATOM 0 HG22 VAL A 62 2.682 5.307 -11.015 1.00 2.53 H new ATOM 0 HG23 VAL A 62 2.389 6.730 -9.987 1.00 2.53 H new ATOM 894 N GLY A 63 1.084 3.489 -6.391 1.00 1.32 N ATOM 895 CA GLY A 63 0.974 3.058 -5.001 1.00 1.42 C ATOM 896 C GLY A 63 1.341 4.167 -4.020 1.00 1.10 C ATOM 897 O GLY A 63 1.308 5.357 -4.343 1.00 1.16 O ATOM 0 H GLY A 63 0.184 3.485 -6.872 1.00 1.32 H new ATOM 0 HA2 GLY A 63 -0.046 2.726 -4.806 1.00 1.42 H new ATOM 0 HA3 GLY A 63 1.626 2.200 -4.836 1.00 1.42 H new ATOM 901 N ALA A 64 1.707 3.761 -2.804 1.00 1.15 N ATOM 902 CA ALA A 64 2.172 4.670 -1.759 1.00 1.24 C ATOM 903 C ALA A 64 3.200 4.035 -0.805 1.00 1.15 C ATOM 904 O ALA A 64 2.995 2.919 -0.324 1.00 1.82 O ATOM 905 CB ALA A 64 0.960 5.218 -0.989 1.00 2.26 C ATOM 0 H ALA A 64 1.688 2.783 -2.515 1.00 1.15 H new ATOM 0 HA ALA A 64 2.702 5.488 -2.248 1.00 1.24 H new ATOM 0 HB1 ALA A 64 1.302 5.897 -0.208 1.00 2.26 H new ATOM 0 HB2 ALA A 64 0.305 5.755 -1.675 1.00 2.26 H new ATOM 0 HB3 ALA A 64 0.412 4.391 -0.537 1.00 2.26 H new ATOM 911 N ALA A 65 4.281 4.767 -0.505 1.00 0.83 N ATOM 912 CA ALA A 65 5.345 4.357 0.420 1.00 0.83 C ATOM 913 C ALA A 65 5.131 4.916 1.846 1.00 0.95 C ATOM 914 O ALA A 65 4.219 5.710 2.078 1.00 0.91 O ATOM 915 CB ALA A 65 6.690 4.781 -0.189 1.00 0.99 C ATOM 0 H ALA A 65 4.444 5.688 -0.912 1.00 0.83 H new ATOM 0 HA ALA A 65 5.330 3.274 0.543 1.00 0.83 H new ATOM 0 HB1 ALA A 65 7.500 4.488 0.479 1.00 0.99 H new ATOM 0 HB2 ALA A 65 6.822 4.294 -1.155 1.00 0.99 H new ATOM 0 HB3 ALA A 65 6.704 5.863 -0.324 1.00 0.99 H new ATOM 921 N THR A 66 5.975 4.546 2.819 1.00 1.30 N ATOM 922 CA THR A 66 5.857 4.967 4.236 1.00 1.63 C ATOM 923 C THR A 66 7.220 4.836 4.940 1.00 1.93 C ATOM 924 O THR A 66 7.862 3.802 4.744 1.00 1.97 O ATOM 925 CB THR A 66 4.725 4.224 4.974 1.00 1.81 C ATOM 926 OG1 THR A 66 4.980 4.197 6.363 1.00 2.25 O ATOM 927 CG2 THR A 66 4.477 2.790 4.489 1.00 2.26 C ATOM 0 H THR A 66 6.774 3.936 2.648 1.00 1.30 H new ATOM 0 HA THR A 66 5.572 6.019 4.260 1.00 1.63 H new ATOM 0 HB THR A 66 3.822 4.790 4.748 1.00 1.81 H new ATOM 0 HG1 THR A 66 4.253 3.724 6.820 1.00 2.25 H new ATOM 0 HG21 THR A 66 3.664 2.347 5.065 1.00 2.26 H new ATOM 0 HG22 THR A 66 4.208 2.805 3.433 1.00 2.26 H new ATOM 0 HG23 THR A 66 5.382 2.198 4.624 1.00 2.26 H new ATOM 935 N PRO A 67 7.695 5.853 5.692 1.00 2.12 N ATOM 936 CA PRO A 67 9.082 5.965 6.166 1.00 2.05 C ATOM 937 C PRO A 67 9.328 5.376 7.566 1.00 1.94 C ATOM 938 O PRO A 67 10.405 5.577 8.132 1.00 1.87 O ATOM 939 CB PRO A 67 9.352 7.476 6.155 1.00 2.22 C ATOM 940 CG PRO A 67 8.014 8.041 6.629 1.00 2.42 C ATOM 941 CD PRO A 67 7.011 7.123 5.933 1.00 2.34 C ATOM 0 HA PRO A 67 9.750 5.387 5.528 1.00 2.05 H new ATOM 0 HB2 PRO A 67 10.170 7.749 6.822 1.00 2.22 H new ATOM 0 HB3 PRO A 67 9.618 7.836 5.161 1.00 2.22 H new ATOM 0 HG2 PRO A 67 7.917 8.002 7.714 1.00 2.42 H new ATOM 0 HG3 PRO A 67 7.885 9.083 6.335 1.00 2.42 H new ATOM 0 HD2 PRO A 67 6.128 6.974 6.554 1.00 2.34 H new ATOM 0 HD3 PRO A 67 6.671 7.563 4.995 1.00 2.34 H new ATOM 949 N LEU A 68 8.346 4.693 8.169 1.00 1.99 N ATOM 950 CA LEU A 68 8.457 4.171 9.542 1.00 1.93 C ATOM 951 C LEU A 68 9.494 3.039 9.689 1.00 1.67 C ATOM 952 O LEU A 68 9.937 2.748 10.795 1.00 1.76 O ATOM 953 CB LEU A 68 7.058 3.728 10.033 1.00 2.25 C ATOM 954 CG LEU A 68 6.163 4.834 10.640 1.00 2.68 C ATOM 955 CD1 LEU A 68 6.685 5.286 12.012 1.00 3.55 C ATOM 956 CD2 LEU A 68 5.992 6.058 9.726 1.00 2.43 C ATOM 0 H LEU A 68 7.453 4.486 7.722 1.00 1.99 H new ATOM 0 HA LEU A 68 8.829 4.979 10.172 1.00 1.93 H new ATOM 0 HB2 LEU A 68 6.527 3.280 9.193 1.00 2.25 H new ATOM 0 HB3 LEU A 68 7.190 2.946 10.780 1.00 2.25 H new ATOM 0 HG LEU A 68 5.180 4.377 10.754 1.00 2.68 H new ATOM 0 HD11 LEU A 68 6.034 6.064 12.411 1.00 3.55 H new ATOM 0 HD12 LEU A 68 6.696 4.437 12.695 1.00 3.55 H new ATOM 0 HD13 LEU A 68 7.696 5.679 11.905 1.00 3.55 H new ATOM 0 HD21 LEU A 68 5.353 6.792 10.217 1.00 2.43 H new ATOM 0 HD22 LEU A 68 6.967 6.502 9.526 1.00 2.43 H new ATOM 0 HD23 LEU A 68 5.535 5.749 8.786 1.00 2.43 H new ATOM 968 N ALA A 69 9.919 2.440 8.576 1.00 1.53 N ATOM 969 CA ALA A 69 10.957 1.417 8.511 1.00 1.48 C ATOM 970 C ALA A 69 12.001 1.776 7.454 1.00 1.13 C ATOM 971 O ALA A 69 11.708 2.527 6.519 1.00 1.35 O ATOM 972 CB ALA A 69 10.292 0.077 8.208 1.00 2.13 C ATOM 0 H ALA A 69 9.532 2.665 7.659 1.00 1.53 H new ATOM 0 HA ALA A 69 11.481 1.351 9.465 1.00 1.48 H new ATOM 0 HB1 ALA A 69 11.052 -0.703 8.155 1.00 2.13 H new ATOM 0 HB2 ALA A 69 9.580 -0.163 8.998 1.00 2.13 H new ATOM 0 HB3 ALA A 69 9.768 0.138 7.254 1.00 2.13 H new ATOM 978 N THR A 70 13.208 1.225 7.605 1.00 0.98 N ATOM 979 CA THR A 70 14.391 1.569 6.799 1.00 0.95 C ATOM 980 C THR A 70 14.255 1.153 5.337 1.00 0.95 C ATOM 981 O THR A 70 14.691 1.897 4.470 1.00 1.26 O ATOM 982 CB THR A 70 15.661 1.007 7.443 1.00 1.22 C ATOM 983 OG1 THR A 70 15.682 1.446 8.780 1.00 1.48 O ATOM 984 CG2 THR A 70 16.941 1.520 6.779 1.00 1.80 C ATOM 0 H THR A 70 13.398 0.510 8.307 1.00 0.98 H new ATOM 0 HA THR A 70 14.469 2.656 6.786 1.00 0.95 H new ATOM 0 HB THR A 70 15.638 -0.078 7.341 1.00 1.22 H new ATOM 0 HG1 THR A 70 16.484 1.102 9.225 1.00 1.48 H new ATOM 0 HG21 THR A 70 17.808 1.088 7.278 1.00 1.80 H new ATOM 0 HG22 THR A 70 16.946 1.232 5.728 1.00 1.80 H new ATOM 0 HG23 THR A 70 16.981 2.606 6.858 1.00 1.80 H new ATOM 992 N SER A 71 13.565 0.053 5.038 1.00 0.85 N ATOM 993 CA SER A 71 13.087 -0.234 3.678 1.00 0.97 C ATOM 994 C SER A 71 11.557 -0.389 3.653 1.00 0.90 C ATOM 995 O SER A 71 11.037 -1.443 4.040 1.00 0.85 O ATOM 996 CB SER A 71 13.761 -1.497 3.110 1.00 1.22 C ATOM 997 OG SER A 71 13.540 -1.655 1.706 1.00 2.61 O ATOM 0 H SER A 71 13.321 -0.662 5.723 1.00 0.85 H new ATOM 0 HA SER A 71 13.358 0.613 3.047 1.00 0.97 H new ATOM 0 HB2 SER A 71 14.833 -1.450 3.302 1.00 1.22 H new ATOM 0 HB3 SER A 71 13.381 -2.374 3.635 1.00 1.22 H new ATOM 0 HG SER A 71 12.655 -1.305 1.473 1.00 2.61 H new ATOM 1003 N PRO A 72 10.798 0.578 3.104 1.00 1.02 N ATOM 1004 CA PRO A 72 9.561 0.234 2.415 1.00 0.91 C ATOM 1005 C PRO A 72 9.918 -0.774 1.312 1.00 0.85 C ATOM 1006 O PRO A 72 10.947 -0.640 0.648 1.00 1.02 O ATOM 1007 CB PRO A 72 8.988 1.552 1.884 1.00 0.99 C ATOM 1008 CG PRO A 72 10.218 2.450 1.747 1.00 1.13 C ATOM 1009 CD PRO A 72 11.136 1.979 2.876 1.00 1.23 C ATOM 0 HA PRO A 72 8.807 -0.236 3.046 1.00 0.91 H new ATOM 0 HB2 PRO A 72 8.484 1.414 0.927 1.00 0.99 H new ATOM 0 HB3 PRO A 72 8.256 1.977 2.571 1.00 0.99 H new ATOM 0 HG2 PRO A 72 10.691 2.336 0.772 1.00 1.13 H new ATOM 0 HG3 PRO A 72 9.959 3.503 1.854 1.00 1.13 H new ATOM 0 HD2 PRO A 72 12.185 2.088 2.599 1.00 1.23 H new ATOM 0 HD3 PRO A 72 10.981 2.571 3.778 1.00 1.23 H new ATOM 1017 N MET A 73 9.114 -1.829 1.179 1.00 0.88 N ATOM 1018 CA MET A 73 9.448 -3.003 0.371 1.00 0.78 C ATOM 1019 C MET A 73 8.168 -3.575 -0.232 1.00 0.68 C ATOM 1020 O MET A 73 7.382 -4.234 0.448 1.00 0.92 O ATOM 1021 CB MET A 73 10.198 -4.013 1.257 1.00 0.96 C ATOM 1022 CG MET A 73 10.818 -5.160 0.451 1.00 1.07 C ATOM 1023 SD MET A 73 12.178 -4.653 -0.636 1.00 2.51 S ATOM 1024 CE MET A 73 12.557 -6.266 -1.363 1.00 2.49 C ATOM 0 H MET A 73 8.203 -1.894 1.634 1.00 0.88 H new ATOM 0 HA MET A 73 10.105 -2.743 -0.459 1.00 0.78 H new ATOM 0 HB2 MET A 73 10.983 -3.495 1.807 1.00 0.96 H new ATOM 0 HB3 MET A 73 9.510 -4.424 1.996 1.00 0.96 H new ATOM 0 HG2 MET A 73 11.184 -5.919 1.143 1.00 1.07 H new ATOM 0 HG3 MET A 73 10.040 -5.627 -0.153 1.00 1.07 H new ATOM 0 HE1 MET A 73 13.380 -6.162 -2.070 1.00 2.49 H new ATOM 0 HE2 MET A 73 12.842 -6.963 -0.574 1.00 2.49 H new ATOM 0 HE3 MET A 73 11.678 -6.646 -1.883 1.00 2.49 H new ATOM 1034 N LEU A 74 7.918 -3.235 -1.496 1.00 0.81 N ATOM 1035 CA LEU A 74 6.654 -3.444 -2.204 1.00 0.83 C ATOM 1036 C LEU A 74 6.719 -4.645 -3.157 1.00 0.87 C ATOM 1037 O LEU A 74 7.553 -4.689 -4.055 1.00 0.98 O ATOM 1038 CB LEU A 74 6.176 -2.145 -2.905 1.00 1.11 C ATOM 1039 CG LEU A 74 7.171 -1.075 -3.434 1.00 1.48 C ATOM 1040 CD1 LEU A 74 7.724 -0.158 -2.330 1.00 1.79 C ATOM 1041 CD2 LEU A 74 8.316 -1.632 -4.292 1.00 2.81 C ATOM 0 H LEU A 74 8.622 -2.786 -2.081 1.00 0.81 H new ATOM 0 HA LEU A 74 5.898 -3.694 -1.459 1.00 0.83 H new ATOM 0 HB2 LEU A 74 5.567 -2.453 -3.755 1.00 1.11 H new ATOM 0 HB3 LEU A 74 5.513 -1.637 -2.205 1.00 1.11 H new ATOM 0 HG LEU A 74 6.553 -0.470 -4.098 1.00 1.48 H new ATOM 0 HD11 LEU A 74 8.412 0.565 -2.768 1.00 1.79 H new ATOM 0 HD12 LEU A 74 6.901 0.370 -1.849 1.00 1.79 H new ATOM 0 HD13 LEU A 74 8.252 -0.758 -1.589 1.00 1.79 H new ATOM 0 HD21 LEU A 74 8.959 -0.814 -4.616 1.00 2.81 H new ATOM 0 HD22 LEU A 74 8.899 -2.341 -3.704 1.00 2.81 H new ATOM 0 HD23 LEU A 74 7.904 -2.137 -5.165 1.00 2.81 H new ATOM 1053 N MET A 75 5.825 -5.616 -2.992 1.00 0.99 N ATOM 1054 CA MET A 75 5.808 -6.826 -3.822 1.00 1.23 C ATOM 1055 C MET A 75 4.387 -7.276 -4.125 1.00 1.29 C ATOM 1056 O MET A 75 3.513 -7.248 -3.259 1.00 1.60 O ATOM 1057 CB MET A 75 6.656 -7.942 -3.183 1.00 1.48 C ATOM 1058 CG MET A 75 6.252 -8.281 -1.743 1.00 2.06 C ATOM 1059 SD MET A 75 7.291 -9.548 -0.973 1.00 2.39 S ATOM 1060 CE MET A 75 6.446 -11.033 -1.569 1.00 3.74 C ATOM 0 H MET A 75 5.092 -5.591 -2.283 1.00 0.99 H new ATOM 0 HA MET A 75 6.265 -6.586 -4.782 1.00 1.23 H new ATOM 0 HB2 MET A 75 6.576 -8.841 -3.794 1.00 1.48 H new ATOM 0 HB3 MET A 75 7.704 -7.641 -3.195 1.00 1.48 H new ATOM 0 HG2 MET A 75 6.294 -7.374 -1.140 1.00 2.06 H new ATOM 0 HG3 MET A 75 5.216 -8.620 -1.736 1.00 2.06 H new ATOM 0 HE1 MET A 75 6.955 -11.919 -1.189 1.00 3.74 H new ATOM 0 HE2 MET A 75 5.414 -11.029 -1.219 1.00 3.74 H new ATOM 0 HE3 MET A 75 6.460 -11.047 -2.659 1.00 3.74 H new ATOM 1070 N THR A 76 4.157 -7.672 -5.379 1.00 1.28 N ATOM 1071 CA THR A 76 2.833 -7.932 -5.933 1.00 1.26 C ATOM 1072 C THR A 76 2.922 -9.133 -6.868 1.00 1.38 C ATOM 1073 O THR A 76 3.884 -9.240 -7.633 1.00 1.68 O ATOM 1074 CB THR A 76 2.237 -6.668 -6.576 1.00 1.60 C ATOM 1075 OG1 THR A 76 3.034 -6.287 -7.677 1.00 3.29 O ATOM 1076 CG2 THR A 76 2.195 -5.444 -5.659 1.00 2.30 C ATOM 0 H THR A 76 4.908 -7.824 -6.052 1.00 1.28 H new ATOM 0 HA THR A 76 2.130 -8.190 -5.141 1.00 1.26 H new ATOM 0 HB THR A 76 1.215 -6.942 -6.838 1.00 1.60 H new ATOM 0 HG1 THR A 76 2.940 -5.324 -7.831 1.00 3.29 H new ATOM 0 HG21 THR A 76 1.760 -4.601 -6.196 1.00 2.30 H new ATOM 0 HG22 THR A 76 1.588 -5.667 -4.782 1.00 2.30 H new ATOM 0 HG23 THR A 76 3.207 -5.190 -5.345 1.00 2.30 H new ATOM 1084 N THR A 77 2.004 -10.089 -6.674 1.00 1.32 N ATOM 1085 CA THR A 77 2.159 -11.530 -6.969 1.00 1.69 C ATOM 1086 C THR A 77 0.785 -12.194 -7.059 1.00 2.03 C ATOM 1087 O THR A 77 -0.108 -11.869 -6.284 1.00 2.78 O ATOM 1088 CB THR A 77 2.929 -12.264 -5.855 1.00 2.08 C ATOM 1089 OG1 THR A 77 3.983 -11.480 -5.351 1.00 2.74 O ATOM 1090 CG2 THR A 77 3.536 -13.590 -6.316 1.00 2.75 C ATOM 0 H THR A 77 1.085 -9.873 -6.288 1.00 1.32 H new ATOM 0 HA THR A 77 2.707 -11.599 -7.909 1.00 1.69 H new ATOM 0 HB THR A 77 2.182 -12.457 -5.085 1.00 2.08 H new ATOM 0 HG1 THR A 77 4.450 -11.974 -4.645 1.00 2.74 H new ATOM 0 HG21 THR A 77 4.065 -14.057 -5.485 1.00 2.75 H new ATOM 0 HG22 THR A 77 2.742 -14.253 -6.660 1.00 2.75 H new ATOM 0 HG23 THR A 77 4.234 -13.406 -7.133 1.00 2.75 H new ATOM 1098 N THR A 78 0.638 -13.169 -7.961 1.00 2.31 N ATOM 1099 CA THR A 78 -0.573 -13.966 -8.253 1.00 2.78 C ATOM 1100 C THR A 78 -1.491 -13.172 -9.185 1.00 2.19 C ATOM 1101 O THR A 78 -1.096 -12.843 -10.300 1.00 2.75 O ATOM 1102 CB THR A 78 -1.252 -14.631 -7.029 1.00 4.28 C ATOM 1103 OG1 THR A 78 -1.950 -13.721 -6.218 1.00 4.37 O ATOM 1104 CG2 THR A 78 -0.260 -15.387 -6.143 1.00 6.37 C ATOM 0 H THR A 78 1.418 -13.449 -8.555 1.00 2.31 H new ATOM 0 HA THR A 78 -0.261 -14.861 -8.791 1.00 2.78 H new ATOM 0 HB THR A 78 -1.961 -15.332 -7.470 1.00 4.28 H new ATOM 0 HG1 THR A 78 -1.408 -12.915 -6.089 1.00 4.37 H new ATOM 0 HG21 THR A 78 -0.790 -15.833 -5.301 1.00 6.37 H new ATOM 0 HG22 THR A 78 0.222 -16.172 -6.725 1.00 6.37 H new ATOM 0 HG23 THR A 78 0.496 -14.695 -5.771 1.00 6.37 H new ATOM 1112 N HIS A 79 -2.697 -12.850 -8.745 1.00 2.31 N ATOM 1113 CA HIS A 79 -3.662 -11.997 -9.432 1.00 2.72 C ATOM 1114 C HIS A 79 -4.570 -11.287 -8.410 1.00 3.51 C ATOM 1115 O HIS A 79 -5.580 -11.828 -7.959 1.00 4.49 O ATOM 1116 CB HIS A 79 -4.437 -12.816 -10.480 1.00 3.48 C ATOM 1117 CG HIS A 79 -4.970 -14.157 -10.038 1.00 4.02 C ATOM 1118 ND1 HIS A 79 -5.822 -14.403 -8.989 1.00 4.94 N ATOM 1119 CD2 HIS A 79 -4.746 -15.352 -10.658 1.00 4.48 C ATOM 1120 CE1 HIS A 79 -6.126 -15.711 -8.991 1.00 5.59 C ATOM 1121 NE2 HIS A 79 -5.496 -16.335 -9.997 1.00 5.38 N ATOM 0 H HIS A 79 -3.051 -13.193 -7.852 1.00 2.31 H new ATOM 0 HA HIS A 79 -3.143 -11.209 -9.977 1.00 2.72 H new ATOM 0 HB2 HIS A 79 -5.277 -12.215 -10.828 1.00 3.48 H new ATOM 0 HB3 HIS A 79 -3.783 -12.976 -11.337 1.00 3.48 H new ATOM 0 HD1 HIS A 79 -6.165 -13.711 -8.323 1.00 4.94 H new ATOM 0 HD2 HIS A 79 -4.102 -15.513 -11.510 1.00 4.48 H new ATOM 0 HE1 HIS A 79 -6.784 -16.192 -8.283 1.00 5.59 H new ATOM 1129 N SER A 80 -4.209 -10.063 -8.026 1.00 3.85 N ATOM 1130 CA SER A 80 -4.932 -9.327 -6.978 1.00 5.06 C ATOM 1131 C SER A 80 -6.152 -8.544 -7.495 1.00 5.27 C ATOM 1132 O SER A 80 -6.909 -8.002 -6.696 1.00 6.64 O ATOM 1133 CB SER A 80 -3.943 -8.416 -6.245 1.00 5.82 C ATOM 1134 OG SER A 80 -4.426 -8.056 -4.964 1.00 6.97 O ATOM 0 H SER A 80 -3.419 -9.555 -8.424 1.00 3.85 H new ATOM 0 HA SER A 80 -5.350 -10.059 -6.287 1.00 5.06 H new ATOM 0 HB2 SER A 80 -2.984 -8.924 -6.145 1.00 5.82 H new ATOM 0 HB3 SER A 80 -3.767 -7.517 -6.836 1.00 5.82 H new ATOM 0 HG SER A 80 -4.268 -7.101 -4.811 1.00 6.97 H new ATOM 1140 N GLY A 81 -6.380 -8.455 -8.817 1.00 4.46 N ATOM 1141 CA GLY A 81 -7.580 -7.830 -9.382 1.00 4.78 C ATOM 1142 C GLY A 81 -7.832 -8.294 -10.810 1.00 4.37 C ATOM 1143 O GLY A 81 -8.422 -9.353 -11.024 1.00 5.03 O ATOM 0 H GLY A 81 -5.735 -8.815 -9.520 1.00 4.46 H new ATOM 0 HA2 GLY A 81 -8.443 -8.072 -8.762 1.00 4.78 H new ATOM 0 HA3 GLY A 81 -7.469 -6.746 -9.365 1.00 4.78 H new ATOM 1147 N GLY A 82 -7.385 -7.485 -11.778 1.00 3.98 N ATOM 1148 CA GLY A 82 -7.324 -7.856 -13.202 1.00 3.85 C ATOM 1149 C GLY A 82 -5.898 -8.008 -13.740 1.00 3.40 C ATOM 1150 O GLY A 82 -5.690 -8.729 -14.710 1.00 3.79 O ATOM 0 H GLY A 82 -7.050 -6.539 -11.594 1.00 3.98 H new ATOM 0 HA2 GLY A 82 -7.859 -8.795 -13.347 1.00 3.85 H new ATOM 0 HA3 GLY A 82 -7.845 -7.099 -13.788 1.00 3.85 H new ATOM 1154 N MET A 83 -4.918 -7.333 -13.126 1.00 2.95 N ATOM 1155 CA MET A 83 -3.492 -7.517 -13.405 1.00 2.56 C ATOM 1156 C MET A 83 -2.922 -8.661 -12.550 1.00 2.36 C ATOM 1157 O MET A 83 -3.436 -8.971 -11.472 1.00 2.51 O ATOM 1158 CB MET A 83 -2.764 -6.180 -13.198 1.00 2.57 C ATOM 1159 CG MET A 83 -1.292 -6.211 -13.639 1.00 2.98 C ATOM 1160 SD MET A 83 -0.720 -4.676 -14.412 1.00 3.95 S ATOM 1161 CE MET A 83 -1.474 -4.873 -16.050 1.00 4.13 C ATOM 0 H MET A 83 -5.100 -6.631 -12.408 1.00 2.95 H new ATOM 0 HA MET A 83 -3.340 -7.814 -14.443 1.00 2.56 H new ATOM 0 HB2 MET A 83 -3.286 -5.401 -13.754 1.00 2.57 H new ATOM 0 HB3 MET A 83 -2.814 -5.907 -12.144 1.00 2.57 H new ATOM 0 HG2 MET A 83 -0.668 -6.423 -12.771 1.00 2.98 H new ATOM 0 HG3 MET A 83 -1.151 -7.033 -14.341 1.00 2.98 H new ATOM 0 HE1 MET A 83 -1.226 -4.012 -16.671 1.00 4.13 H new ATOM 0 HE2 MET A 83 -1.093 -5.780 -16.519 1.00 4.13 H new ATOM 0 HE3 MET A 83 -2.557 -4.946 -15.946 1.00 4.13 H new ATOM 1171 N ALA A 84 -1.887 -9.316 -13.078 1.00 2.21 N ATOM 1172 CA ALA A 84 -1.349 -10.583 -12.594 1.00 2.03 C ATOM 1173 C ALA A 84 0.146 -10.747 -12.908 1.00 2.12 C ATOM 1174 O ALA A 84 0.633 -10.197 -13.900 1.00 2.43 O ATOM 1175 CB ALA A 84 -2.166 -11.714 -13.240 1.00 2.30 C ATOM 0 H ALA A 84 -1.381 -8.961 -13.889 1.00 2.21 H new ATOM 0 HA ALA A 84 -1.432 -10.613 -11.508 1.00 2.03 H new ATOM 0 HB1 ALA A 84 -1.788 -12.677 -12.898 1.00 2.30 H new ATOM 0 HB2 ALA A 84 -3.214 -11.614 -12.956 1.00 2.30 H new ATOM 0 HB3 ALA A 84 -2.076 -11.654 -14.325 1.00 2.30 H new ATOM 1181 N GLY A 85 0.838 -11.562 -12.102 1.00 2.16 N ATOM 1182 CA GLY A 85 2.233 -11.966 -12.300 1.00 2.66 C ATOM 1183 C GLY A 85 2.980 -12.328 -11.016 1.00 2.40 C ATOM 1184 O GLY A 85 2.482 -13.037 -10.146 1.00 2.97 O ATOM 0 H GLY A 85 0.426 -11.972 -11.264 1.00 2.16 H new ATOM 0 HA2 GLY A 85 2.257 -12.823 -12.973 1.00 2.66 H new ATOM 0 HA3 GLY A 85 2.765 -11.155 -12.798 1.00 2.66 H new ATOM 1188 N MET A 86 4.216 -11.844 -10.935 1.00 2.19 N ATOM 1189 CA MET A 86 5.220 -12.079 -9.884 1.00 2.10 C ATOM 1190 C MET A 86 5.824 -10.747 -9.422 1.00 1.71 C ATOM 1191 O MET A 86 5.725 -9.775 -10.158 1.00 2.21 O ATOM 1192 CB MET A 86 6.312 -13.015 -10.441 1.00 2.95 C ATOM 1193 CG MET A 86 7.087 -12.370 -11.603 1.00 3.57 C ATOM 1194 SD MET A 86 8.113 -13.497 -12.577 1.00 4.54 S ATOM 1195 CE MET A 86 8.561 -12.306 -13.865 1.00 5.92 C ATOM 0 H MET A 86 4.578 -11.225 -11.660 1.00 2.19 H new ATOM 0 HA MET A 86 4.751 -12.549 -9.020 1.00 2.10 H new ATOM 0 HB2 MET A 86 7.007 -13.276 -9.643 1.00 2.95 H new ATOM 0 HB3 MET A 86 5.854 -13.944 -10.782 1.00 2.95 H new ATOM 0 HG2 MET A 86 6.372 -11.889 -12.271 1.00 3.57 H new ATOM 0 HG3 MET A 86 7.725 -11.584 -11.199 1.00 3.57 H new ATOM 0 HE1 MET A 86 9.209 -12.788 -14.597 1.00 5.92 H new ATOM 0 HE2 MET A 86 7.658 -11.948 -14.359 1.00 5.92 H new ATOM 0 HE3 MET A 86 9.087 -11.464 -13.415 1.00 5.92 H new ATOM 1205 N LYS A 87 6.461 -10.712 -8.248 1.00 1.73 N ATOM 1206 CA LYS A 87 6.978 -9.514 -7.545 1.00 1.72 C ATOM 1207 C LYS A 87 7.389 -8.290 -8.414 1.00 1.25 C ATOM 1208 O LYS A 87 8.583 -8.064 -8.619 1.00 1.98 O ATOM 1209 CB LYS A 87 8.110 -9.960 -6.589 1.00 3.16 C ATOM 1210 CG LYS A 87 9.189 -10.841 -7.260 1.00 3.84 C ATOM 1211 CD LYS A 87 10.591 -10.635 -6.672 1.00 5.43 C ATOM 1212 CE LYS A 87 11.253 -9.390 -7.283 1.00 6.32 C ATOM 1213 NZ LYS A 87 12.608 -9.169 -6.729 1.00 7.78 N ATOM 0 H LYS A 87 6.645 -11.567 -7.723 1.00 1.73 H new ATOM 0 HA LYS A 87 6.127 -9.106 -6.999 1.00 1.72 H new ATOM 0 HB2 LYS A 87 8.588 -9.074 -6.170 1.00 3.16 H new ATOM 0 HB3 LYS A 87 7.672 -10.510 -5.756 1.00 3.16 H new ATOM 0 HG2 LYS A 87 8.909 -11.889 -7.156 1.00 3.84 H new ATOM 0 HG3 LYS A 87 9.214 -10.623 -8.328 1.00 3.84 H new ATOM 0 HD2 LYS A 87 10.525 -10.525 -5.590 1.00 5.43 H new ATOM 0 HD3 LYS A 87 11.206 -11.514 -6.866 1.00 5.43 H new ATOM 0 HE2 LYS A 87 11.315 -9.504 -8.365 1.00 6.32 H new ATOM 0 HE3 LYS A 87 10.633 -8.515 -7.090 1.00 6.32 H new ATOM 0 HZ1 LYS A 87 13.026 -8.321 -7.162 1.00 7.78 H new ATOM 0 HZ2 LYS A 87 12.545 -9.036 -5.699 1.00 7.78 H new ATOM 0 HZ3 LYS A 87 13.206 -9.994 -6.935 1.00 7.78 H new ATOM 1227 N MET A 88 6.430 -7.433 -8.826 1.00 1.99 N ATOM 1228 CA MET A 88 6.679 -6.309 -9.771 1.00 2.94 C ATOM 1229 C MET A 88 5.965 -4.967 -9.463 1.00 2.63 C ATOM 1230 O MET A 88 5.850 -4.122 -10.337 1.00 3.38 O ATOM 1231 CB MET A 88 6.444 -6.768 -11.230 1.00 4.49 C ATOM 1232 CG MET A 88 7.626 -7.588 -11.765 1.00 4.95 C ATOM 1233 SD MET A 88 7.531 -8.010 -13.526 1.00 6.62 S ATOM 1234 CE MET A 88 7.839 -6.383 -14.268 1.00 6.92 C ATOM 0 H MET A 88 5.460 -7.496 -8.516 1.00 1.99 H new ATOM 0 HA MET A 88 7.729 -6.058 -9.623 1.00 2.94 H new ATOM 0 HB2 MET A 88 5.534 -7.366 -11.281 1.00 4.49 H new ATOM 0 HB3 MET A 88 6.289 -5.896 -11.865 1.00 4.49 H new ATOM 0 HG2 MET A 88 8.545 -7.029 -11.590 1.00 4.95 H new ATOM 0 HG3 MET A 88 7.699 -8.511 -11.189 1.00 4.95 H new ATOM 0 HE1 MET A 88 7.991 -6.496 -15.342 1.00 6.92 H new ATOM 0 HE2 MET A 88 6.982 -5.733 -14.089 1.00 6.92 H new ATOM 0 HE3 MET A 88 8.729 -5.941 -13.820 1.00 6.92 H new ATOM 1244 N VAL A 89 5.545 -4.729 -8.218 1.00 2.14 N ATOM 1245 CA VAL A 89 5.292 -3.395 -7.602 1.00 1.63 C ATOM 1246 C VAL A 89 3.859 -2.859 -7.884 1.00 1.48 C ATOM 1247 O VAL A 89 3.131 -3.500 -8.646 1.00 1.87 O ATOM 1248 CB VAL A 89 6.445 -2.356 -7.842 1.00 1.57 C ATOM 1249 CG1 VAL A 89 7.859 -2.974 -7.874 1.00 2.77 C ATOM 1250 CG2 VAL A 89 6.297 -1.351 -9.006 1.00 2.45 C ATOM 0 H VAL A 89 5.358 -5.492 -7.567 1.00 2.14 H new ATOM 0 HA VAL A 89 5.317 -3.556 -6.524 1.00 1.63 H new ATOM 0 HB VAL A 89 6.320 -1.758 -6.939 1.00 1.57 H new ATOM 0 HG11 VAL A 89 8.596 -2.189 -8.044 1.00 2.77 H new ATOM 0 HG12 VAL A 89 8.064 -3.463 -6.922 1.00 2.77 H new ATOM 0 HG13 VAL A 89 7.918 -3.707 -8.679 1.00 2.77 H new ATOM 0 HG21 VAL A 89 7.173 -0.703 -9.041 1.00 2.45 H new ATOM 0 HG22 VAL A 89 6.210 -1.894 -9.947 1.00 2.45 H new ATOM 0 HG23 VAL A 89 5.403 -0.746 -8.853 1.00 2.45 H new ATOM 1260 N PRO A 90 3.375 -1.759 -7.249 1.00 1.42 N ATOM 1261 CA PRO A 90 1.986 -1.321 -7.392 1.00 1.77 C ATOM 1262 C PRO A 90 1.743 -0.613 -8.725 1.00 1.79 C ATOM 1263 O PRO A 90 2.468 0.307 -9.100 1.00 2.78 O ATOM 1264 CB PRO A 90 1.713 -0.369 -6.228 1.00 2.32 C ATOM 1265 CG PRO A 90 3.086 0.203 -5.898 1.00 2.16 C ATOM 1266 CD PRO A 90 4.046 -0.923 -6.256 1.00 1.54 C ATOM 0 HA PRO A 90 1.317 -2.182 -7.378 1.00 1.77 H new ATOM 0 HB2 PRO A 90 1.010 0.415 -6.509 1.00 2.32 H new ATOM 0 HB3 PRO A 90 1.282 -0.893 -5.375 1.00 2.32 H new ATOM 0 HG2 PRO A 90 3.293 1.104 -6.476 1.00 2.16 H new ATOM 0 HG3 PRO A 90 3.163 0.475 -4.845 1.00 2.16 H new ATOM 0 HD2 PRO A 90 4.978 -0.523 -6.656 1.00 1.54 H new ATOM 0 HD3 PRO A 90 4.303 -1.506 -5.372 1.00 1.54 H new ATOM 1274 N TRP A 91 0.676 -1.018 -9.419 1.00 1.68 N ATOM 1275 CA TRP A 91 0.322 -0.445 -10.716 1.00 1.86 C ATOM 1276 C TRP A 91 -0.592 0.775 -10.640 1.00 2.33 C ATOM 1277 O TRP A 91 -1.814 0.678 -10.528 1.00 3.44 O ATOM 1278 CB TRP A 91 -0.238 -1.503 -11.675 1.00 2.19 C ATOM 1279 CG TRP A 91 -1.022 -2.611 -11.043 1.00 2.22 C ATOM 1280 CD1 TRP A 91 -2.319 -2.528 -10.651 1.00 2.10 C ATOM 1281 CD2 TRP A 91 -0.574 -3.941 -10.665 1.00 2.72 C ATOM 1282 NE1 TRP A 91 -2.670 -3.687 -9.990 1.00 2.34 N ATOM 1283 CE2 TRP A 91 -1.632 -4.605 -9.977 1.00 2.79 C ATOM 1284 CE3 TRP A 91 0.638 -4.667 -10.815 1.00 3.34 C ATOM 1285 CZ2 TRP A 91 -1.501 -5.888 -9.454 1.00 3.43 C ATOM 1286 CZ3 TRP A 91 0.779 -5.961 -10.298 1.00 3.98 C ATOM 1287 CH2 TRP A 91 -0.280 -6.578 -9.609 1.00 4.03 C ATOM 0 H TRP A 91 0.039 -1.747 -9.099 1.00 1.68 H new ATOM 0 HA TRP A 91 1.264 -0.076 -11.123 1.00 1.86 H new ATOM 0 HB2 TRP A 91 -0.876 -1.003 -12.404 1.00 2.19 H new ATOM 0 HB3 TRP A 91 0.594 -1.942 -12.227 1.00 2.19 H new ATOM 0 HD1 TRP A 91 -2.973 -1.687 -10.829 1.00 2.10 H new ATOM 0 HE1 TRP A 91 -3.582 -3.848 -9.563 1.00 2.34 H new ATOM 0 HE3 TRP A 91 1.467 -4.212 -11.338 1.00 3.34 H new ATOM 0 HZ2 TRP A 91 -2.326 -6.351 -8.934 1.00 3.43 H new ATOM 0 HZ3 TRP A 91 1.711 -6.490 -10.430 1.00 3.98 H new ATOM 0 HH2 TRP A 91 -0.160 -7.571 -9.202 1.00 4.03 H new ATOM 1298 N LEU A 92 0.059 1.907 -10.913 1.00 2.23 N ATOM 1299 CA LEU A 92 -0.432 3.061 -11.670 1.00 3.38 C ATOM 1300 C LEU A 92 -1.958 3.151 -11.924 1.00 2.70 C ATOM 1301 O LEU A 92 -2.692 3.726 -11.121 1.00 2.88 O ATOM 1302 CB LEU A 92 0.435 3.247 -12.941 1.00 5.26 C ATOM 1303 CG LEU A 92 0.573 1.947 -13.768 1.00 6.95 C ATOM 1304 CD1 LEU A 92 0.345 2.186 -15.268 1.00 8.81 C ATOM 1305 CD2 LEU A 92 1.970 1.327 -13.590 1.00 8.14 C ATOM 0 H LEU A 92 1.014 2.052 -10.587 1.00 2.23 H new ATOM 0 HA LEU A 92 -0.305 3.920 -11.011 1.00 3.38 H new ATOM 0 HB2 LEU A 92 -0.006 4.024 -13.565 1.00 5.26 H new ATOM 0 HB3 LEU A 92 1.427 3.595 -12.651 1.00 5.26 H new ATOM 0 HG LEU A 92 -0.194 1.268 -13.395 1.00 6.95 H new ATOM 0 HD11 LEU A 92 0.452 1.245 -15.807 1.00 8.81 H new ATOM 0 HD12 LEU A 92 -0.658 2.582 -15.425 1.00 8.81 H new ATOM 0 HD13 LEU A 92 1.079 2.902 -15.638 1.00 8.81 H new ATOM 0 HD21 LEU A 92 2.041 0.414 -14.182 1.00 8.14 H new ATOM 0 HD22 LEU A 92 2.728 2.036 -13.924 1.00 8.14 H new ATOM 0 HD23 LEU A 92 2.132 1.091 -12.538 1.00 8.14 H new ATOM 1317 N THR A 93 -2.407 2.751 -13.114 1.00 2.87 N ATOM 1318 CA THR A 93 -3.635 3.253 -13.736 1.00 3.05 C ATOM 1319 C THR A 93 -4.761 2.259 -13.591 1.00 2.52 C ATOM 1320 O THR A 93 -4.536 1.064 -13.744 1.00 2.76 O ATOM 1321 CB THR A 93 -3.350 3.592 -15.190 1.00 4.30 C ATOM 1322 OG1 THR A 93 -2.342 4.574 -15.150 1.00 4.67 O ATOM 1323 CG2 THR A 93 -4.554 4.176 -15.930 1.00 5.25 C ATOM 0 H THR A 93 -1.921 2.058 -13.683 1.00 2.87 H new ATOM 0 HA THR A 93 -3.961 4.160 -13.228 1.00 3.05 H new ATOM 0 HB THR A 93 -3.075 2.682 -15.723 1.00 4.30 H new ATOM 0 HG1 THR A 93 -2.107 4.839 -16.064 1.00 4.67 H new ATOM 0 HG21 THR A 93 -4.277 4.394 -16.961 1.00 5.25 H new ATOM 0 HG22 THR A 93 -5.372 3.456 -15.918 1.00 5.25 H new ATOM 0 HG23 THR A 93 -4.872 5.095 -15.438 1.00 5.25 H new ATOM 1331 N ILE A 94 -5.968 2.746 -13.309 1.00 2.21 N ATOM 1332 CA ILE A 94 -7.089 1.886 -12.894 1.00 1.75 C ATOM 1333 C ILE A 94 -8.219 1.769 -13.931 1.00 1.78 C ATOM 1334 O ILE A 94 -9.269 2.393 -13.773 1.00 2.40 O ATOM 1335 CB ILE A 94 -7.596 2.279 -11.487 1.00 2.05 C ATOM 1336 CG1 ILE A 94 -7.987 3.756 -11.277 1.00 3.46 C ATOM 1337 CG2 ILE A 94 -6.525 1.896 -10.456 1.00 2.98 C ATOM 1338 CD1 ILE A 94 -8.933 3.952 -10.086 1.00 4.44 C ATOM 0 H ILE A 94 -6.202 3.738 -13.359 1.00 2.21 H new ATOM 0 HA ILE A 94 -6.689 0.874 -12.833 1.00 1.75 H new ATOM 0 HB ILE A 94 -8.529 1.730 -11.364 1.00 2.05 H new ATOM 0 HG12 ILE A 94 -7.085 4.348 -11.121 1.00 3.46 H new ATOM 0 HG13 ILE A 94 -8.464 4.134 -12.181 1.00 3.46 H new ATOM 0 HG21 ILE A 94 -6.868 2.167 -9.457 1.00 2.98 H new ATOM 0 HG22 ILE A 94 -6.346 0.822 -10.499 1.00 2.98 H new ATOM 0 HG23 ILE A 94 -5.599 2.427 -10.678 1.00 2.98 H new ATOM 0 HD11 ILE A 94 -9.176 5.010 -9.984 1.00 4.44 H new ATOM 0 HD12 ILE A 94 -9.849 3.384 -10.251 1.00 4.44 H new ATOM 0 HD13 ILE A 94 -8.448 3.602 -9.175 1.00 4.44 H new ATOM 1350 N PRO A 95 -8.086 0.920 -14.969 1.00 2.01 N ATOM 1351 CA PRO A 95 -9.227 0.547 -15.795 1.00 2.30 C ATOM 1352 C PRO A 95 -10.261 -0.199 -14.940 1.00 1.74 C ATOM 1353 O PRO A 95 -9.911 -0.848 -13.952 1.00 2.01 O ATOM 1354 CB PRO A 95 -8.663 -0.332 -16.916 1.00 3.13 C ATOM 1355 CG PRO A 95 -7.445 -0.985 -16.263 1.00 3.17 C ATOM 1356 CD PRO A 95 -6.928 0.108 -15.327 1.00 2.77 C ATOM 0 HA PRO A 95 -9.741 1.411 -16.217 1.00 2.30 H new ATOM 0 HB2 PRO A 95 -9.388 -1.074 -17.250 1.00 3.13 H new ATOM 0 HB3 PRO A 95 -8.385 0.258 -17.790 1.00 3.13 H new ATOM 0 HG2 PRO A 95 -7.716 -1.889 -15.717 1.00 3.17 H new ATOM 0 HG3 PRO A 95 -6.696 -1.271 -17.002 1.00 3.17 H new ATOM 0 HD2 PRO A 95 -6.468 -0.326 -14.439 1.00 2.77 H new ATOM 0 HD3 PRO A 95 -6.166 0.713 -15.818 1.00 2.77 H new ATOM 1364 N ALA A 96 -11.529 -0.135 -15.354 1.00 2.40 N ATOM 1365 CA ALA A 96 -12.674 -0.715 -14.638 1.00 2.92 C ATOM 1366 C ALA A 96 -12.415 -2.120 -14.106 1.00 2.93 C ATOM 1367 O ALA A 96 -12.601 -2.406 -12.921 1.00 4.02 O ATOM 1368 CB ALA A 96 -13.873 -0.681 -15.595 1.00 4.06 C ATOM 0 H ALA A 96 -11.797 0.334 -16.219 1.00 2.40 H new ATOM 0 HA ALA A 96 -12.871 -0.123 -13.744 1.00 2.92 H new ATOM 0 HB1 ALA A 96 -14.746 -1.105 -15.099 1.00 4.06 H new ATOM 0 HB2 ALA A 96 -14.082 0.350 -15.880 1.00 4.06 H new ATOM 0 HB3 ALA A 96 -13.644 -1.264 -16.487 1.00 4.06 H new ATOM 1374 N ARG A 97 -11.945 -2.968 -15.012 1.00 2.89 N ATOM 1375 CA ARG A 97 -11.798 -4.407 -14.800 1.00 3.39 C ATOM 1376 C ARG A 97 -10.405 -4.809 -14.263 1.00 3.23 C ATOM 1377 O ARG A 97 -10.060 -5.988 -14.269 1.00 4.11 O ATOM 1378 CB ARG A 97 -12.186 -5.147 -16.106 1.00 3.77 C ATOM 1379 CG ARG A 97 -12.955 -6.478 -15.953 1.00 4.46 C ATOM 1380 CD ARG A 97 -12.112 -7.735 -15.670 1.00 5.60 C ATOM 1381 NE ARG A 97 -12.887 -8.954 -15.984 1.00 6.25 N ATOM 1382 CZ ARG A 97 -12.426 -10.172 -16.254 1.00 7.45 C ATOM 1383 NH1 ARG A 97 -11.160 -10.507 -16.144 1.00 8.44 N ATOM 1384 NH2 ARG A 97 -13.257 -11.098 -16.678 1.00 8.01 N ATOM 0 H ARG A 97 -11.647 -2.668 -15.940 1.00 2.89 H new ATOM 0 HA ARG A 97 -12.480 -4.713 -14.007 1.00 3.39 H new ATOM 0 HB2 ARG A 97 -12.792 -4.473 -16.711 1.00 3.77 H new ATOM 0 HB3 ARG A 97 -11.273 -5.345 -16.668 1.00 3.77 H new ATOM 0 HG2 ARG A 97 -13.677 -6.363 -15.144 1.00 4.46 H new ATOM 0 HG3 ARG A 97 -13.525 -6.649 -16.866 1.00 4.46 H new ATOM 0 HD2 ARG A 97 -11.200 -7.712 -16.267 1.00 5.60 H new ATOM 0 HD3 ARG A 97 -11.808 -7.749 -14.623 1.00 5.60 H new ATOM 0 HE ARG A 97 -13.901 -8.848 -15.995 1.00 6.25 H new ATOM 0 HH11 ARG A 97 -10.475 -9.817 -15.838 1.00 8.44 H new ATOM 0 HH12 ARG A 97 -10.863 -11.457 -16.365 1.00 8.44 H new ATOM 0 HH21 ARG A 97 -14.246 -10.880 -16.797 1.00 8.01 H new ATOM 0 HH22 ARG A 97 -12.913 -12.035 -16.888 1.00 8.01 H new ATOM 1398 N GLY A 98 -9.569 -3.855 -13.825 1.00 2.43 N ATOM 1399 CA GLY A 98 -8.177 -4.090 -13.404 1.00 2.64 C ATOM 1400 C GLY A 98 -7.713 -2.960 -12.504 1.00 3.06 C ATOM 1401 O GLY A 98 -6.691 -2.330 -12.758 1.00 4.80 O ATOM 0 H GLY A 98 -9.847 -2.876 -13.752 1.00 2.43 H new ATOM 0 HA2 GLY A 98 -8.103 -5.041 -12.876 1.00 2.64 H new ATOM 0 HA3 GLY A 98 -7.530 -4.159 -14.278 1.00 2.64 H new ATOM 1405 N THR A 99 -8.531 -2.676 -11.491 1.00 2.01 N ATOM 1406 CA THR A 99 -8.342 -1.579 -10.551 1.00 2.70 C ATOM 1407 C THR A 99 -7.316 -1.979 -9.497 1.00 2.13 C ATOM 1408 O THR A 99 -7.264 -3.148 -9.116 1.00 1.96 O ATOM 1409 CB THR A 99 -9.707 -1.190 -9.999 1.00 3.64 C ATOM 1410 OG1 THR A 99 -9.567 0.027 -9.322 1.00 4.76 O ATOM 1411 CG2 THR A 99 -10.356 -2.259 -9.116 1.00 3.26 C ATOM 0 H THR A 99 -9.370 -3.223 -11.298 1.00 2.01 H new ATOM 0 HA THR A 99 -7.929 -0.691 -11.029 1.00 2.70 H new ATOM 0 HB THR A 99 -10.395 -1.089 -10.838 1.00 3.64 H new ATOM 0 HG1 THR A 99 -9.530 -0.138 -8.357 1.00 4.76 H new ATOM 0 HG21 THR A 99 -11.324 -1.902 -8.765 1.00 3.26 H new ATOM 0 HG22 THR A 99 -10.494 -3.173 -9.693 1.00 3.26 H new ATOM 0 HG23 THR A 99 -9.713 -2.464 -8.260 1.00 3.26 H new ATOM 1419 N LEU A 100 -6.452 -1.044 -9.090 1.00 2.13 N ATOM 1420 CA LEU A 100 -5.256 -1.307 -8.264 1.00 1.93 C ATOM 1421 C LEU A 100 -5.604 -1.697 -6.814 1.00 1.74 C ATOM 1422 O LEU A 100 -6.547 -1.176 -6.212 1.00 1.63 O ATOM 1423 CB LEU A 100 -4.170 -0.202 -8.406 1.00 2.32 C ATOM 1424 CG LEU A 100 -3.980 0.782 -7.227 1.00 3.15 C ATOM 1425 CD1 LEU A 100 -2.658 1.550 -7.373 1.00 4.32 C ATOM 1426 CD2 LEU A 100 -5.127 1.793 -7.124 1.00 4.13 C ATOM 0 H LEU A 100 -6.562 -0.058 -9.328 1.00 2.13 H new ATOM 0 HA LEU A 100 -4.782 -2.200 -8.672 1.00 1.93 H new ATOM 0 HB2 LEU A 100 -3.214 -0.694 -8.589 1.00 2.32 H new ATOM 0 HB3 LEU A 100 -4.403 0.383 -9.296 1.00 2.32 H new ATOM 0 HG LEU A 100 -3.968 0.180 -6.319 1.00 3.15 H new ATOM 0 HD11 LEU A 100 -2.542 2.237 -6.535 1.00 4.32 H new ATOM 0 HD12 LEU A 100 -1.827 0.845 -7.382 1.00 4.32 H new ATOM 0 HD13 LEU A 100 -2.666 2.114 -8.306 1.00 4.32 H new ATOM 0 HD21 LEU A 100 -4.948 2.462 -6.282 1.00 4.13 H new ATOM 0 HD22 LEU A 100 -5.183 2.375 -8.044 1.00 4.13 H new ATOM 0 HD23 LEU A 100 -6.067 1.263 -6.973 1.00 4.13 H new ATOM 1438 N THR A 101 -4.853 -2.666 -6.287 1.00 1.82 N ATOM 1439 CA THR A 101 -5.408 -3.726 -5.432 1.00 1.50 C ATOM 1440 C THR A 101 -4.336 -4.294 -4.501 1.00 1.15 C ATOM 1441 O THR A 101 -3.999 -5.476 -4.557 1.00 1.77 O ATOM 1442 CB THR A 101 -6.092 -4.806 -6.317 1.00 2.32 C ATOM 1443 OG1 THR A 101 -5.691 -4.734 -7.671 1.00 3.71 O ATOM 1444 CG2 THR A 101 -7.612 -4.648 -6.313 1.00 3.79 C ATOM 0 H THR A 101 -3.847 -2.741 -6.438 1.00 1.82 H new ATOM 0 HA THR A 101 -6.176 -3.311 -4.780 1.00 1.50 H new ATOM 0 HB THR A 101 -5.788 -5.759 -5.884 1.00 2.32 H new ATOM 0 HG1 THR A 101 -6.375 -4.262 -8.190 1.00 3.71 H new ATOM 0 HG21 THR A 101 -8.060 -5.418 -6.941 1.00 3.79 H new ATOM 0 HG22 THR A 101 -7.986 -4.748 -5.294 1.00 3.79 H new ATOM 0 HG23 THR A 101 -7.877 -3.664 -6.701 1.00 3.79 H new ATOM 1452 N LEU A 102 -3.758 -3.453 -3.642 1.00 1.59 N ATOM 1453 CA LEU A 102 -2.712 -3.877 -2.715 1.00 1.67 C ATOM 1454 C LEU A 102 -3.373 -4.465 -1.473 1.00 1.42 C ATOM 1455 O LEU A 102 -3.629 -3.771 -0.482 1.00 1.48 O ATOM 1456 CB LEU A 102 -1.760 -2.723 -2.374 1.00 2.36 C ATOM 1457 CG LEU A 102 -0.841 -2.185 -3.492 1.00 3.10 C ATOM 1458 CD1 LEU A 102 0.060 -3.301 -4.039 1.00 4.01 C ATOM 1459 CD2 LEU A 102 -1.591 -1.491 -4.644 1.00 3.79 C ATOM 0 H LEU A 102 -4.001 -2.465 -3.571 1.00 1.59 H new ATOM 0 HA LEU A 102 -2.095 -4.643 -3.184 1.00 1.67 H new ATOM 0 HB2 LEU A 102 -2.362 -1.891 -2.008 1.00 2.36 H new ATOM 0 HB3 LEU A 102 -1.126 -3.046 -1.548 1.00 2.36 H new ATOM 0 HG LEU A 102 -0.230 -1.414 -3.023 1.00 3.10 H new ATOM 0 HD11 LEU A 102 0.699 -2.900 -4.826 1.00 4.01 H new ATOM 0 HD12 LEU A 102 0.680 -3.696 -3.234 1.00 4.01 H new ATOM 0 HD13 LEU A 102 -0.558 -4.101 -4.446 1.00 4.01 H new ATOM 0 HD21 LEU A 102 -0.874 -1.142 -5.387 1.00 3.79 H new ATOM 0 HD22 LEU A 102 -2.279 -2.197 -5.108 1.00 3.79 H new ATOM 0 HD23 LEU A 102 -2.151 -0.641 -4.254 1.00 3.79 H new ATOM 1471 N GLN A 103 -3.618 -5.774 -1.542 1.00 1.40 N ATOM 1472 CA GLN A 103 -4.039 -6.560 -0.376 1.00 1.45 C ATOM 1473 C GLN A 103 -3.005 -7.636 -0.052 1.00 1.46 C ATOM 1474 O GLN A 103 -2.586 -8.377 -0.939 1.00 1.35 O ATOM 1475 CB GLN A 103 -5.436 -7.208 -0.519 1.00 1.59 C ATOM 1476 CG GLN A 103 -5.871 -7.716 -1.903 1.00 2.45 C ATOM 1477 CD GLN A 103 -6.887 -6.823 -2.634 1.00 3.16 C ATOM 1478 OE1 GLN A 103 -7.542 -5.944 -2.087 1.00 3.40 O ATOM 1479 NE2 GLN A 103 -7.085 -7.019 -3.909 1.00 4.35 N ATOM 0 H GLN A 103 -3.532 -6.318 -2.400 1.00 1.40 H new ATOM 0 HA GLN A 103 -4.113 -5.845 0.444 1.00 1.45 H new ATOM 0 HB2 GLN A 103 -5.484 -8.049 0.173 1.00 1.59 H new ATOM 0 HB3 GLN A 103 -6.175 -6.479 -0.186 1.00 1.59 H new ATOM 0 HG2 GLN A 103 -4.985 -7.821 -2.530 1.00 2.45 H new ATOM 0 HG3 GLN A 103 -6.301 -8.711 -1.789 1.00 2.45 H new ATOM 0 HE21 GLN A 103 -6.560 -7.741 -4.402 1.00 4.35 H new ATOM 0 HE22 GLN A 103 -7.765 -6.450 -4.413 1.00 4.35 H new ATOM 1488 N ARG A 104 -2.675 -7.808 1.240 1.00 1.82 N ATOM 1489 CA ARG A 104 -1.714 -8.816 1.743 1.00 2.13 C ATOM 1490 C ARG A 104 -2.133 -10.294 1.538 1.00 2.22 C ATOM 1491 O ARG A 104 -1.644 -11.192 2.220 1.00 2.85 O ATOM 1492 CB ARG A 104 -1.348 -8.499 3.213 1.00 2.83 C ATOM 1493 CG ARG A 104 0.119 -8.850 3.568 1.00 3.80 C ATOM 1494 CD ARG A 104 0.277 -9.700 4.839 1.00 4.22 C ATOM 1495 NE ARG A 104 -0.227 -11.056 4.601 1.00 4.01 N ATOM 1496 CZ ARG A 104 -0.296 -12.071 5.446 1.00 4.30 C ATOM 1497 NH1 ARG A 104 0.034 -11.993 6.715 1.00 4.82 N ATOM 1498 NH2 ARG A 104 -0.826 -13.194 5.034 1.00 4.68 N ATOM 0 H ARG A 104 -3.077 -7.238 1.985 1.00 1.82 H new ATOM 0 HA ARG A 104 -0.824 -8.727 1.120 1.00 2.13 H new ATOM 0 HB2 ARG A 104 -1.517 -7.439 3.402 1.00 2.83 H new ATOM 0 HB3 ARG A 104 -2.017 -9.051 3.874 1.00 2.83 H new ATOM 0 HG2 ARG A 104 0.565 -9.385 2.730 1.00 3.80 H new ATOM 0 HG3 ARG A 104 0.682 -7.925 3.692 1.00 3.80 H new ATOM 0 HD2 ARG A 104 1.326 -9.739 5.132 1.00 4.22 H new ATOM 0 HD3 ARG A 104 -0.267 -9.240 5.664 1.00 4.22 H new ATOM 0 HE ARG A 104 -0.570 -11.241 3.658 1.00 4.01 H new ATOM 0 HH11 ARG A 104 0.367 -11.110 7.102 1.00 4.82 H new ATOM 0 HH12 ARG A 104 -0.043 -12.815 7.313 1.00 4.82 H new ATOM 0 HH21 ARG A 104 -1.175 -13.273 4.079 1.00 4.68 H new ATOM 0 HH22 ARG A 104 -0.890 -13.991 5.668 1.00 4.68 H new ATOM 1512 N ASP A 105 -3.047 -10.548 0.612 1.00 1.97 N ATOM 1513 CA ASP A 105 -3.363 -11.856 0.031 1.00 2.25 C ATOM 1514 C ASP A 105 -2.264 -12.247 -0.991 1.00 2.27 C ATOM 1515 O ASP A 105 -1.721 -13.350 -0.923 1.00 3.09 O ATOM 1516 CB ASP A 105 -4.775 -11.750 -0.594 1.00 2.36 C ATOM 1517 CG ASP A 105 -5.524 -13.083 -0.750 1.00 2.82 C ATOM 1518 OD1 ASP A 105 -4.908 -14.159 -0.552 1.00 3.67 O ATOM 1519 OD2 ASP A 105 -6.721 -13.028 -1.102 1.00 3.45 O ATOM 0 H ASP A 105 -3.625 -9.805 0.219 1.00 1.97 H new ATOM 0 HA ASP A 105 -3.376 -12.650 0.778 1.00 2.25 H new ATOM 0 HB2 ASP A 105 -5.378 -11.083 0.022 1.00 2.36 H new ATOM 0 HB3 ASP A 105 -4.686 -11.285 -1.576 1.00 2.36 H new ATOM 1524 N GLY A 106 -1.857 -11.301 -1.862 1.00 1.79 N ATOM 1525 CA GLY A 106 -0.723 -11.447 -2.816 1.00 2.04 C ATOM 1526 C GLY A 106 0.131 -10.181 -3.056 1.00 1.93 C ATOM 1527 O GLY A 106 1.265 -10.281 -3.536 1.00 2.47 O ATOM 0 H GLY A 106 -2.314 -10.391 -1.928 1.00 1.79 H new ATOM 0 HA2 GLY A 106 -0.068 -12.239 -2.452 1.00 2.04 H new ATOM 0 HA3 GLY A 106 -1.122 -11.779 -3.775 1.00 2.04 H new ATOM 1531 N ASP A 107 -0.396 -9.003 -2.696 1.00 1.74 N ATOM 1532 CA ASP A 107 0.057 -7.697 -3.169 1.00 2.17 C ATOM 1533 C ASP A 107 0.189 -6.701 -2.011 1.00 1.59 C ATOM 1534 O ASP A 107 -0.798 -6.180 -1.510 1.00 1.70 O ATOM 1535 CB ASP A 107 -0.960 -7.159 -4.195 1.00 3.34 C ATOM 1536 CG ASP A 107 -0.823 -7.699 -5.622 1.00 4.55 C ATOM 1537 OD1 ASP A 107 -0.362 -8.845 -5.817 1.00 5.22 O ATOM 1538 OD2 ASP A 107 -1.160 -6.911 -6.533 1.00 5.53 O ATOM 0 H ASP A 107 -1.177 -8.936 -2.044 1.00 1.74 H new ATOM 0 HA ASP A 107 1.039 -7.813 -3.628 1.00 2.17 H new ATOM 0 HB2 ASP A 107 -1.964 -7.387 -3.836 1.00 3.34 H new ATOM 0 HB3 ASP A 107 -0.873 -6.073 -4.229 1.00 3.34 H new ATOM 1543 N HIS A 108 1.403 -6.365 -1.587 1.00 1.38 N ATOM 1544 CA HIS A 108 1.584 -5.572 -0.372 1.00 1.10 C ATOM 1545 C HIS A 108 2.868 -4.730 -0.359 1.00 1.04 C ATOM 1546 O HIS A 108 3.918 -5.182 -0.815 1.00 1.14 O ATOM 1547 CB HIS A 108 1.504 -6.521 0.839 1.00 1.33 C ATOM 1548 CG HIS A 108 2.529 -7.636 0.854 1.00 1.71 C ATOM 1549 ND1 HIS A 108 3.873 -7.502 1.120 1.00 2.43 N ATOM 1550 CD2 HIS A 108 2.302 -8.972 0.635 1.00 2.57 C ATOM 1551 CE1 HIS A 108 4.431 -8.725 1.090 1.00 2.84 C ATOM 1552 NE2 HIS A 108 3.512 -9.661 0.801 1.00 3.06 N ATOM 0 H HIS A 108 2.269 -6.625 -2.059 1.00 1.38 H new ATOM 0 HA HIS A 108 0.784 -4.833 -0.328 1.00 1.10 H new ATOM 0 HB2 HIS A 108 1.618 -5.933 1.749 1.00 1.33 H new ATOM 0 HB3 HIS A 108 0.508 -6.964 0.868 1.00 1.33 H new ATOM 0 HD2 HIS A 108 1.352 -9.417 0.378 1.00 2.57 H new ATOM 0 HE1 HIS A 108 5.476 -8.927 1.273 1.00 2.84 H new ATOM 0 HE2 HIS A 108 3.663 -10.666 0.719 1.00 3.06 H new ATOM 1560 N VAL A 109 2.815 -3.539 0.255 1.00 1.07 N ATOM 1561 CA VAL A 109 4.025 -2.844 0.730 1.00 1.01 C ATOM 1562 C VAL A 109 4.254 -3.201 2.198 1.00 0.97 C ATOM 1563 O VAL A 109 3.369 -3.045 3.038 1.00 1.16 O ATOM 1564 CB VAL A 109 4.006 -1.321 0.463 1.00 1.11 C ATOM 1565 CG1 VAL A 109 2.901 -0.575 1.217 1.00 2.03 C ATOM 1566 CG2 VAL A 109 5.370 -0.684 0.787 1.00 2.00 C ATOM 0 H VAL A 109 1.947 -3.035 0.435 1.00 1.07 H new ATOM 0 HA VAL A 109 4.878 -3.193 0.148 1.00 1.01 H new ATOM 0 HB VAL A 109 3.791 -1.219 -0.601 1.00 1.11 H new ATOM 0 HG11 VAL A 109 2.952 0.488 0.979 1.00 2.03 H new ATOM 0 HG12 VAL A 109 1.929 -0.968 0.919 1.00 2.03 H new ATOM 0 HG13 VAL A 109 3.035 -0.713 2.290 1.00 2.03 H new ATOM 0 HG21 VAL A 109 5.327 0.387 0.590 1.00 2.00 H new ATOM 0 HG22 VAL A 109 5.609 -0.850 1.837 1.00 2.00 H new ATOM 0 HG23 VAL A 109 6.141 -1.137 0.163 1.00 2.00 H new ATOM 1576 N MET A 110 5.431 -3.753 2.482 1.00 0.81 N ATOM 1577 CA MET A 110 5.913 -4.177 3.800 1.00 0.76 C ATOM 1578 C MET A 110 6.965 -3.187 4.314 1.00 0.68 C ATOM 1579 O MET A 110 7.638 -2.526 3.526 1.00 0.83 O ATOM 1580 CB MET A 110 6.462 -5.604 3.641 1.00 0.87 C ATOM 1581 CG MET A 110 6.742 -6.324 4.961 1.00 1.50 C ATOM 1582 SD MET A 110 7.029 -8.096 4.707 1.00 1.50 S ATOM 1583 CE MET A 110 7.431 -8.574 6.404 1.00 2.14 C ATOM 0 H MET A 110 6.121 -3.929 1.752 1.00 0.81 H new ATOM 0 HA MET A 110 5.116 -4.184 4.544 1.00 0.76 H new ATOM 0 HB2 MET A 110 5.748 -6.193 3.064 1.00 0.87 H new ATOM 0 HB3 MET A 110 7.384 -5.563 3.061 1.00 0.87 H new ATOM 0 HG2 MET A 110 7.613 -5.879 5.441 1.00 1.50 H new ATOM 0 HG3 MET A 110 5.899 -6.185 5.638 1.00 1.50 H new ATOM 0 HE1 MET A 110 7.570 -9.654 6.455 1.00 2.14 H new ATOM 0 HE2 MET A 110 8.349 -8.075 6.715 1.00 2.14 H new ATOM 0 HE3 MET A 110 6.617 -8.281 7.067 1.00 2.14 H new ATOM 1593 N LEU A 111 7.081 -3.057 5.632 1.00 0.69 N ATOM 1594 CA LEU A 111 7.935 -2.090 6.320 1.00 0.76 C ATOM 1595 C LEU A 111 9.134 -2.831 6.923 1.00 0.85 C ATOM 1596 O LEU A 111 9.152 -3.113 8.113 1.00 1.07 O ATOM 1597 CB LEU A 111 7.071 -1.393 7.399 1.00 1.02 C ATOM 1598 CG LEU A 111 6.160 -0.223 6.983 1.00 1.29 C ATOM 1599 CD1 LEU A 111 6.996 0.999 6.582 1.00 3.04 C ATOM 1600 CD2 LEU A 111 5.153 -0.602 5.887 1.00 1.92 C ATOM 0 H LEU A 111 6.560 -3.648 6.280 1.00 0.69 H new ATOM 0 HA LEU A 111 8.328 -1.332 5.643 1.00 0.76 H new ATOM 0 HB2 LEU A 111 6.440 -2.154 7.858 1.00 1.02 H new ATOM 0 HB3 LEU A 111 7.744 -1.027 8.174 1.00 1.02 H new ATOM 0 HG LEU A 111 5.564 0.037 7.857 1.00 1.29 H new ATOM 0 HD11 LEU A 111 6.333 1.814 6.292 1.00 3.04 H new ATOM 0 HD12 LEU A 111 7.609 1.313 7.427 1.00 3.04 H new ATOM 0 HD13 LEU A 111 7.641 0.739 5.742 1.00 3.04 H new ATOM 0 HD21 LEU A 111 4.541 0.266 5.639 1.00 1.92 H new ATOM 0 HD22 LEU A 111 5.690 -0.933 4.998 1.00 1.92 H new ATOM 0 HD23 LEU A 111 4.512 -1.408 6.245 1.00 1.92 H new ATOM 1612 N MET A 112 10.136 -3.160 6.103 1.00 0.84 N ATOM 1613 CA MET A 112 11.304 -3.948 6.504 1.00 1.04 C ATOM 1614 C MET A 112 12.301 -3.088 7.278 1.00 1.09 C ATOM 1615 O MET A 112 12.717 -2.016 6.825 1.00 1.07 O ATOM 1616 CB MET A 112 11.938 -4.629 5.280 1.00 1.16 C ATOM 1617 CG MET A 112 13.261 -5.345 5.597 1.00 1.64 C ATOM 1618 SD MET A 112 14.748 -4.304 5.593 1.00 2.77 S ATOM 1619 CE MET A 112 15.885 -5.443 6.411 1.00 3.16 C ATOM 0 H MET A 112 10.158 -2.880 5.122 1.00 0.84 H new ATOM 0 HA MET A 112 10.982 -4.739 7.181 1.00 1.04 H new ATOM 0 HB2 MET A 112 11.232 -5.351 4.869 1.00 1.16 H new ATOM 0 HB3 MET A 112 12.115 -3.880 4.508 1.00 1.16 H new ATOM 0 HG2 MET A 112 13.172 -5.814 6.577 1.00 1.64 H new ATOM 0 HG3 MET A 112 13.401 -6.147 4.872 1.00 1.64 H new ATOM 0 HE1 MET A 112 16.866 -4.976 6.501 1.00 3.16 H new ATOM 0 HE2 MET A 112 15.506 -5.685 7.404 1.00 3.16 H new ATOM 0 HE3 MET A 112 15.971 -6.356 5.822 1.00 3.16 H new ATOM 1629 N GLY A 113 12.698 -3.545 8.466 1.00 1.25 N ATOM 1630 CA GLY A 113 13.623 -2.810 9.342 1.00 1.39 C ATOM 1631 C GLY A 113 12.898 -1.691 10.086 1.00 1.42 C ATOM 1632 O GLY A 113 13.289 -0.517 10.011 1.00 1.56 O ATOM 0 H GLY A 113 12.389 -4.437 8.853 1.00 1.25 H new ATOM 0 HA2 GLY A 113 14.073 -3.496 10.059 1.00 1.39 H new ATOM 0 HA3 GLY A 113 14.436 -2.390 8.749 1.00 1.39 H new ATOM 1636 N LEU A 114 11.807 -2.048 10.749 1.00 1.58 N ATOM 1637 CA LEU A 114 11.054 -1.183 11.647 1.00 1.78 C ATOM 1638 C LEU A 114 11.881 -0.866 12.916 1.00 2.23 C ATOM 1639 O LEU A 114 12.890 -1.507 13.200 1.00 3.12 O ATOM 1640 CB LEU A 114 9.728 -1.902 11.935 1.00 2.12 C ATOM 1641 CG LEU A 114 8.554 -1.086 12.495 1.00 2.40 C ATOM 1642 CD1 LEU A 114 7.965 -0.147 11.441 1.00 2.55 C ATOM 1643 CD2 LEU A 114 7.483 -2.058 12.992 1.00 3.31 C ATOM 0 H LEU A 114 11.407 -2.983 10.673 1.00 1.58 H new ATOM 0 HA LEU A 114 10.841 -0.210 11.203 1.00 1.78 H new ATOM 0 HB2 LEU A 114 9.395 -2.366 11.007 1.00 2.12 H new ATOM 0 HB3 LEU A 114 9.935 -2.709 12.638 1.00 2.12 H new ATOM 0 HG LEU A 114 8.915 -0.464 13.314 1.00 2.40 H new ATOM 0 HD11 LEU A 114 7.137 0.413 11.875 1.00 2.55 H new ATOM 0 HD12 LEU A 114 8.734 0.547 11.101 1.00 2.55 H new ATOM 0 HD13 LEU A 114 7.604 -0.731 10.594 1.00 2.55 H new ATOM 0 HD21 LEU A 114 6.640 -1.496 13.394 1.00 3.31 H new ATOM 0 HD22 LEU A 114 7.143 -2.679 12.164 1.00 3.31 H new ATOM 0 HD23 LEU A 114 7.902 -2.692 13.773 1.00 3.31 H new ATOM 1655 N LYS A 115 11.415 0.103 13.693 1.00 2.00 N ATOM 1656 CA LYS A 115 12.082 0.649 14.885 1.00 2.48 C ATOM 1657 C LYS A 115 11.133 1.236 15.945 1.00 2.43 C ATOM 1658 O LYS A 115 11.479 1.314 17.121 1.00 2.87 O ATOM 1659 CB LYS A 115 13.097 1.697 14.404 1.00 2.82 C ATOM 1660 CG LYS A 115 12.448 2.974 13.837 1.00 2.54 C ATOM 1661 CD LYS A 115 13.350 3.589 12.764 1.00 2.78 C ATOM 1662 CE LYS A 115 13.274 2.791 11.441 1.00 3.05 C ATOM 1663 NZ LYS A 115 14.334 3.238 10.508 1.00 3.88 N ATOM 0 H LYS A 115 10.520 0.556 13.507 1.00 2.00 H new ATOM 0 HA LYS A 115 12.570 -0.176 15.403 1.00 2.48 H new ATOM 0 HB2 LYS A 115 13.747 1.969 15.236 1.00 2.82 H new ATOM 0 HB3 LYS A 115 13.731 1.251 13.637 1.00 2.82 H new ATOM 0 HG2 LYS A 115 11.473 2.738 13.412 1.00 2.54 H new ATOM 0 HG3 LYS A 115 12.281 3.693 14.639 1.00 2.54 H new ATOM 0 HD2 LYS A 115 13.053 4.623 12.585 1.00 2.78 H new ATOM 0 HD3 LYS A 115 14.380 3.610 13.120 1.00 2.78 H new ATOM 0 HE2 LYS A 115 13.385 1.726 11.644 1.00 3.05 H new ATOM 0 HE3 LYS A 115 12.295 2.928 10.982 1.00 3.05 H new ATOM 0 HZ1 LYS A 115 14.700 2.420 9.981 1.00 3.88 H new ATOM 0 HZ2 LYS A 115 13.939 3.931 9.841 1.00 3.88 H new ATOM 0 HZ3 LYS A 115 15.108 3.678 11.046 1.00 3.88 H new ATOM 1677 N ARG A 116 9.920 1.611 15.524 1.00 2.13 N ATOM 1678 CA ARG A 116 8.735 1.830 16.356 1.00 2.24 C ATOM 1679 C ARG A 116 7.504 1.357 15.550 1.00 1.70 C ATOM 1680 O ARG A 116 7.365 1.816 14.415 1.00 1.41 O ATOM 1681 CB ARG A 116 8.632 3.324 16.735 1.00 2.65 C ATOM 1682 CG ARG A 116 7.323 3.665 17.476 1.00 3.37 C ATOM 1683 CD ARG A 116 7.259 5.106 18.011 1.00 3.49 C ATOM 1684 NE ARG A 116 8.284 5.394 19.035 1.00 4.15 N ATOM 1685 CZ ARG A 116 8.317 4.921 20.277 1.00 5.47 C ATOM 1686 NH1 ARG A 116 7.368 4.162 20.772 1.00 6.44 N ATOM 1687 NH2 ARG A 116 9.324 5.221 21.066 1.00 6.32 N ATOM 0 H ARG A 116 9.730 1.779 14.536 1.00 2.13 H new ATOM 0 HA ARG A 116 8.794 1.266 17.287 1.00 2.24 H new ATOM 0 HB2 ARG A 116 9.481 3.594 17.364 1.00 2.65 H new ATOM 0 HB3 ARG A 116 8.700 3.929 15.831 1.00 2.65 H new ATOM 0 HG2 ARG A 116 6.483 3.502 16.800 1.00 3.37 H new ATOM 0 HG3 ARG A 116 7.200 2.974 18.310 1.00 3.37 H new ATOM 0 HD2 ARG A 116 7.380 5.801 17.180 1.00 3.49 H new ATOM 0 HD3 ARG A 116 6.271 5.285 18.435 1.00 3.49 H new ATOM 0 HE ARG A 116 9.043 6.019 18.762 1.00 4.15 H new ATOM 0 HH11 ARG A 116 6.563 3.912 20.198 1.00 6.44 H new ATOM 0 HH12 ARG A 116 7.435 3.822 21.731 1.00 6.44 H new ATOM 0 HH21 ARG A 116 10.079 5.816 20.725 1.00 6.32 H new ATOM 0 HH22 ARG A 116 9.351 4.859 22.019 1.00 6.32 H new ATOM 1701 N PRO A 117 6.653 0.442 16.059 1.00 2.19 N ATOM 1702 CA PRO A 117 5.361 0.133 15.449 1.00 2.24 C ATOM 1703 C PRO A 117 4.342 1.220 15.792 1.00 1.71 C ATOM 1704 O PRO A 117 4.494 1.921 16.790 1.00 1.81 O ATOM 1705 CB PRO A 117 4.958 -1.219 16.041 1.00 3.32 C ATOM 1706 CG PRO A 117 5.544 -1.149 17.452 1.00 3.69 C ATOM 1707 CD PRO A 117 6.850 -0.374 17.254 1.00 3.17 C ATOM 0 HA PRO A 117 5.410 0.092 14.361 1.00 2.24 H new ATOM 0 HB2 PRO A 117 3.876 -1.349 16.057 1.00 3.32 H new ATOM 0 HB3 PRO A 117 5.371 -2.051 15.471 1.00 3.32 H new ATOM 0 HG2 PRO A 117 4.873 -0.636 18.141 1.00 3.69 H new ATOM 0 HG3 PRO A 117 5.724 -2.143 17.862 1.00 3.69 H new ATOM 0 HD2 PRO A 117 7.070 0.249 18.121 1.00 3.17 H new ATOM 0 HD3 PRO A 117 7.693 -1.054 17.128 1.00 3.17 H new ATOM 1715 N LEU A 118 3.282 1.332 14.997 1.00 1.72 N ATOM 1716 CA LEU A 118 2.102 2.133 15.330 1.00 1.27 C ATOM 1717 C LEU A 118 0.909 1.216 15.625 1.00 1.45 C ATOM 1718 O LEU A 118 1.008 -0.005 15.549 1.00 1.67 O ATOM 1719 CB LEU A 118 1.838 3.139 14.198 1.00 1.51 C ATOM 1720 CG LEU A 118 2.928 4.218 14.021 1.00 2.00 C ATOM 1721 CD1 LEU A 118 2.590 5.072 12.791 1.00 3.46 C ATOM 1722 CD2 LEU A 118 3.069 5.132 15.248 1.00 2.66 C ATOM 0 H LEU A 118 3.215 0.865 14.093 1.00 1.72 H new ATOM 0 HA LEU A 118 2.272 2.711 16.239 1.00 1.27 H new ATOM 0 HB2 LEU A 118 1.734 2.591 13.261 1.00 1.51 H new ATOM 0 HB3 LEU A 118 0.885 3.633 14.386 1.00 1.51 H new ATOM 0 HG LEU A 118 3.880 3.702 13.893 1.00 2.00 H new ATOM 0 HD11 LEU A 118 3.355 5.837 12.658 1.00 3.46 H new ATOM 0 HD12 LEU A 118 2.554 4.437 11.906 1.00 3.46 H new ATOM 0 HD13 LEU A 118 1.621 5.549 12.935 1.00 3.46 H new ATOM 0 HD21 LEU A 118 3.850 5.870 15.064 1.00 2.66 H new ATOM 0 HD22 LEU A 118 2.124 5.642 15.432 1.00 2.66 H new ATOM 0 HD23 LEU A 118 3.334 4.533 16.119 1.00 2.66 H new ATOM 1734 N LYS A 119 -0.224 1.809 15.994 1.00 1.47 N ATOM 1735 CA LYS A 119 -1.316 1.193 16.775 1.00 1.32 C ATOM 1736 C LYS A 119 -2.731 1.702 16.380 1.00 1.06 C ATOM 1737 O LYS A 119 -2.861 2.623 15.577 1.00 1.21 O ATOM 1738 CB LYS A 119 -0.973 1.391 18.266 1.00 1.66 C ATOM 1739 CG LYS A 119 -0.788 2.876 18.632 1.00 2.76 C ATOM 1740 CD LYS A 119 -0.533 3.075 20.132 1.00 2.94 C ATOM 1741 CE LYS A 119 -0.686 4.543 20.562 1.00 4.49 C ATOM 1742 NZ LYS A 119 -2.086 5.020 20.478 1.00 5.01 N ATOM 0 H LYS A 119 -0.424 2.779 15.749 1.00 1.47 H new ATOM 0 HA LYS A 119 -1.379 0.128 16.551 1.00 1.32 H new ATOM 0 HB2 LYS A 119 -1.767 0.964 18.879 1.00 1.66 H new ATOM 0 HB3 LYS A 119 -0.060 0.845 18.502 1.00 1.66 H new ATOM 0 HG2 LYS A 119 0.048 3.287 18.065 1.00 2.76 H new ATOM 0 HG3 LYS A 119 -1.677 3.434 18.339 1.00 2.76 H new ATOM 0 HD2 LYS A 119 -1.228 2.458 20.701 1.00 2.94 H new ATOM 0 HD3 LYS A 119 0.472 2.730 20.376 1.00 2.94 H new ATOM 0 HE2 LYS A 119 -0.328 4.657 21.585 1.00 4.49 H new ATOM 0 HE3 LYS A 119 -0.054 5.170 19.932 1.00 4.49 H new ATOM 0 HZ1 LYS A 119 -2.178 5.919 20.993 1.00 5.01 H new ATOM 0 HZ2 LYS A 119 -2.344 5.164 19.481 1.00 5.01 H new ATOM 0 HZ3 LYS A 119 -2.720 4.312 20.901 1.00 5.01 H new ATOM 1756 N VAL A 120 -3.800 1.059 16.870 1.00 1.22 N ATOM 1757 CA VAL A 120 -5.085 0.814 16.146 1.00 1.35 C ATOM 1758 C VAL A 120 -5.968 2.058 15.877 1.00 1.55 C ATOM 1759 O VAL A 120 -6.923 1.979 15.107 1.00 2.06 O ATOM 1760 CB VAL A 120 -5.891 -0.351 16.803 1.00 1.39 C ATOM 1761 CG1 VAL A 120 -6.198 -0.133 18.289 1.00 1.95 C ATOM 1762 CG2 VAL A 120 -7.205 -0.746 16.102 1.00 2.27 C ATOM 0 H VAL A 120 -3.808 0.676 17.815 1.00 1.22 H new ATOM 0 HA VAL A 120 -4.775 0.512 15.146 1.00 1.35 H new ATOM 0 HB VAL A 120 -5.190 -1.176 16.681 1.00 1.39 H new ATOM 0 HG11 VAL A 120 -6.760 -0.984 18.673 1.00 1.95 H new ATOM 0 HG12 VAL A 120 -5.264 -0.035 18.843 1.00 1.95 H new ATOM 0 HG13 VAL A 120 -6.789 0.775 18.409 1.00 1.95 H new ATOM 0 HG21 VAL A 120 -7.676 -1.564 16.647 1.00 2.27 H new ATOM 0 HG22 VAL A 120 -7.878 0.111 16.081 1.00 2.27 H new ATOM 0 HG23 VAL A 120 -6.991 -1.065 15.082 1.00 2.27 H new ATOM 1772 N GLY A 121 -5.652 3.206 16.476 1.00 1.47 N ATOM 1773 CA GLY A 121 -6.345 4.489 16.272 1.00 1.73 C ATOM 1774 C GLY A 121 -5.437 5.617 15.780 1.00 1.60 C ATOM 1775 O GLY A 121 -5.916 6.735 15.574 1.00 1.75 O ATOM 0 H GLY A 121 -4.881 3.276 17.140 1.00 1.47 H new ATOM 0 HA2 GLY A 121 -7.150 4.344 15.551 1.00 1.73 H new ATOM 0 HA3 GLY A 121 -6.808 4.793 17.211 1.00 1.73 H new ATOM 1779 N GLU A 122 -4.136 5.346 15.630 1.00 1.46 N ATOM 1780 CA GLU A 122 -3.104 6.349 15.390 1.00 1.37 C ATOM 1781 C GLU A 122 -2.879 6.580 13.886 1.00 1.29 C ATOM 1782 O GLU A 122 -3.177 5.721 13.047 1.00 1.30 O ATOM 1783 CB GLU A 122 -1.834 5.931 16.157 1.00 1.37 C ATOM 1784 CG GLU A 122 -0.757 7.024 16.224 1.00 1.38 C ATOM 1785 CD GLU A 122 0.176 6.841 17.426 1.00 1.53 C ATOM 1786 OE1 GLU A 122 0.454 5.693 17.826 1.00 1.72 O ATOM 1787 OE2 GLU A 122 0.579 7.877 18.011 1.00 2.90 O ATOM 0 H GLU A 122 -3.766 4.396 15.674 1.00 1.46 H new ATOM 0 HA GLU A 122 -3.420 7.321 15.769 1.00 1.37 H new ATOM 0 HB2 GLU A 122 -2.112 5.646 17.172 1.00 1.37 H new ATOM 0 HB3 GLU A 122 -1.410 5.046 15.683 1.00 1.37 H new ATOM 0 HG2 GLU A 122 -0.171 7.011 15.305 1.00 1.38 H new ATOM 0 HG3 GLU A 122 -1.236 8.001 16.283 1.00 1.38 H new ATOM 1794 N THR A 123 -2.376 7.771 13.552 1.00 1.38 N ATOM 1795 CA THR A 123 -2.111 8.230 12.184 1.00 1.49 C ATOM 1796 C THR A 123 -0.686 7.899 11.763 1.00 1.16 C ATOM 1797 O THR A 123 0.233 8.035 12.564 1.00 1.25 O ATOM 1798 CB THR A 123 -2.346 9.743 12.073 1.00 2.08 C ATOM 1799 OG1 THR A 123 -1.612 10.387 13.089 1.00 3.38 O ATOM 1800 CG2 THR A 123 -3.819 10.107 12.260 1.00 2.66 C ATOM 0 H THR A 123 -2.132 8.470 14.254 1.00 1.38 H new ATOM 0 HA THR A 123 -2.799 7.710 11.517 1.00 1.49 H new ATOM 0 HB THR A 123 -2.031 10.059 11.078 1.00 2.08 H new ATOM 0 HG1 THR A 123 -1.751 11.355 13.029 1.00 3.38 H new ATOM 0 HG21 THR A 123 -3.941 11.187 12.174 1.00 2.66 H new ATOM 0 HG22 THR A 123 -4.416 9.612 11.494 1.00 2.66 H new ATOM 0 HG23 THR A 123 -4.152 9.782 13.246 1.00 2.66 H new ATOM 1808 N VAL A 124 -0.504 7.573 10.486 1.00 0.94 N ATOM 1809 CA VAL A 124 0.795 7.367 9.817 1.00 0.89 C ATOM 1810 C VAL A 124 0.955 8.368 8.668 1.00 0.78 C ATOM 1811 O VAL A 124 -0.023 8.911 8.155 1.00 0.93 O ATOM 1812 CB VAL A 124 0.949 5.907 9.319 1.00 1.19 C ATOM 1813 CG1 VAL A 124 0.062 5.584 8.108 1.00 2.44 C ATOM 1814 CG2 VAL A 124 2.405 5.525 8.994 1.00 2.44 C ATOM 0 H VAL A 124 -1.291 7.437 9.852 1.00 0.94 H new ATOM 0 HA VAL A 124 1.590 7.542 10.542 1.00 0.89 H new ATOM 0 HB VAL A 124 0.615 5.305 10.164 1.00 1.19 H new ATOM 0 HG11 VAL A 124 0.217 4.547 7.809 1.00 2.44 H new ATOM 0 HG12 VAL A 124 -0.985 5.732 8.374 1.00 2.44 H new ATOM 0 HG13 VAL A 124 0.323 6.243 7.280 1.00 2.44 H new ATOM 0 HG21 VAL A 124 2.442 4.491 8.651 1.00 2.44 H new ATOM 0 HG22 VAL A 124 2.787 6.181 8.212 1.00 2.44 H new ATOM 0 HG23 VAL A 124 3.018 5.633 9.889 1.00 2.44 H new ATOM 1824 N ASN A 125 2.197 8.583 8.236 1.00 0.85 N ATOM 1825 CA ASN A 125 2.523 9.421 7.085 1.00 0.85 C ATOM 1826 C ASN A 125 2.739 8.525 5.851 1.00 0.83 C ATOM 1827 O ASN A 125 3.656 7.703 5.852 1.00 0.99 O ATOM 1828 CB ASN A 125 3.782 10.246 7.407 1.00 1.07 C ATOM 1829 CG ASN A 125 3.838 10.756 8.839 1.00 1.49 C ATOM 1830 OD1 ASN A 125 4.711 10.357 9.605 1.00 2.76 O ATOM 1831 ND2 ASN A 125 2.907 11.586 9.263 1.00 1.40 N ATOM 0 H ASN A 125 3.017 8.173 8.683 1.00 0.85 H new ATOM 0 HA ASN A 125 1.706 10.109 6.867 1.00 0.85 H new ATOM 0 HB2 ASN A 125 4.664 9.634 7.215 1.00 1.07 H new ATOM 0 HB3 ASN A 125 3.830 11.097 6.727 1.00 1.07 H new ATOM 0 HD21 ASN A 125 2.908 11.901 10.233 1.00 1.40 H new ATOM 0 HD22 ASN A 125 2.185 11.913 8.621 1.00 1.40 H new ATOM 1838 N ILE A 126 1.919 8.642 4.801 1.00 0.84 N ATOM 1839 CA ILE A 126 2.052 7.824 3.576 1.00 0.85 C ATOM 1840 C ILE A 126 2.393 8.723 2.384 1.00 0.83 C ATOM 1841 O ILE A 126 1.882 9.841 2.293 1.00 0.88 O ATOM 1842 CB ILE A 126 0.790 6.941 3.376 1.00 0.89 C ATOM 1843 CG1 ILE A 126 1.190 5.550 2.842 1.00 1.45 C ATOM 1844 CG2 ILE A 126 -0.280 7.615 2.496 1.00 1.41 C ATOM 1845 CD1 ILE A 126 0.046 4.531 2.782 1.00 2.37 C ATOM 0 H ILE A 126 1.143 9.304 4.770 1.00 0.84 H new ATOM 0 HA ILE A 126 2.883 7.125 3.672 1.00 0.85 H new ATOM 0 HB ILE A 126 0.323 6.812 4.352 1.00 0.89 H new ATOM 0 HG12 ILE A 126 1.607 5.666 1.842 1.00 1.45 H new ATOM 0 HG13 ILE A 126 1.983 5.148 3.473 1.00 1.45 H new ATOM 0 HG21 ILE A 126 -1.138 6.950 2.392 1.00 1.41 H new ATOM 0 HG22 ILE A 126 -0.598 8.548 2.961 1.00 1.41 H new ATOM 0 HG23 ILE A 126 0.138 7.824 1.511 1.00 1.41 H new ATOM 0 HD11 ILE A 126 0.422 3.584 2.395 1.00 2.37 H new ATOM 0 HD12 ILE A 126 -0.358 4.379 3.783 1.00 2.37 H new ATOM 0 HD13 ILE A 126 -0.740 4.905 2.126 1.00 2.37 H new ATOM 1857 N THR A 127 3.270 8.280 1.477 1.00 0.82 N ATOM 1858 CA THR A 127 3.646 9.034 0.270 1.00 0.84 C ATOM 1859 C THR A 127 3.001 8.378 -0.939 1.00 0.85 C ATOM 1860 O THR A 127 3.554 7.418 -1.465 1.00 1.17 O ATOM 1861 CB THR A 127 5.166 9.134 0.105 1.00 1.01 C ATOM 1862 OG1 THR A 127 5.700 9.725 1.261 1.00 1.46 O ATOM 1863 CG2 THR A 127 5.545 10.041 -1.065 1.00 1.62 C ATOM 0 H THR A 127 3.744 7.381 1.558 1.00 0.82 H new ATOM 0 HA THR A 127 3.283 10.057 0.367 1.00 0.84 H new ATOM 0 HB THR A 127 5.551 8.129 -0.070 1.00 1.01 H new ATOM 0 HG1 THR A 127 6.673 9.795 1.173 1.00 1.46 H new ATOM 0 HG21 THR A 127 6.630 10.088 -1.152 1.00 1.62 H new ATOM 0 HG22 THR A 127 5.124 9.640 -1.987 1.00 1.62 H new ATOM 0 HG23 THR A 127 5.151 11.042 -0.892 1.00 1.62 H new ATOM 1871 N LEU A 128 1.832 8.880 -1.345 1.00 0.90 N ATOM 1872 CA LEU A 128 1.035 8.494 -2.497 1.00 1.24 C ATOM 1873 C LEU A 128 1.448 9.390 -3.674 1.00 1.38 C ATOM 1874 O LEU A 128 1.690 10.562 -3.454 1.00 1.84 O ATOM 1875 CB LEU A 128 -0.410 8.764 -2.030 1.00 1.65 C ATOM 1876 CG LEU A 128 -1.495 8.477 -3.063 1.00 1.99 C ATOM 1877 CD1 LEU A 128 -1.728 6.974 -3.235 1.00 2.65 C ATOM 1878 CD2 LEU A 128 -2.813 9.157 -2.663 1.00 2.95 C ATOM 0 H LEU A 128 1.385 9.635 -0.824 1.00 0.90 H new ATOM 0 HA LEU A 128 1.155 7.463 -2.829 1.00 1.24 H new ATOM 0 HB2 LEU A 128 -0.606 8.160 -1.144 1.00 1.65 H new ATOM 0 HB3 LEU A 128 -0.487 9.808 -1.727 1.00 1.65 H new ATOM 0 HG LEU A 128 -1.150 8.882 -4.015 1.00 1.99 H new ATOM 0 HD11 LEU A 128 -2.508 6.809 -3.979 1.00 2.65 H new ATOM 0 HD12 LEU A 128 -0.805 6.498 -3.566 1.00 2.65 H new ATOM 0 HD13 LEU A 128 -2.038 6.543 -2.283 1.00 2.65 H new ATOM 0 HD21 LEU A 128 -3.575 8.941 -3.411 1.00 2.95 H new ATOM 0 HD22 LEU A 128 -3.138 8.778 -1.694 1.00 2.95 H new ATOM 0 HD23 LEU A 128 -2.662 10.235 -2.599 1.00 2.95 H new ATOM 1890 N LYS A 129 1.522 8.889 -4.912 1.00 1.61 N ATOM 1891 CA LYS A 129 2.007 9.652 -6.090 1.00 1.66 C ATOM 1892 C LYS A 129 1.295 9.181 -7.384 1.00 1.63 C ATOM 1893 O LYS A 129 1.110 7.978 -7.600 1.00 1.72 O ATOM 1894 CB LYS A 129 3.531 9.388 -6.228 1.00 1.81 C ATOM 1895 CG LYS A 129 4.459 10.153 -5.262 1.00 2.30 C ATOM 1896 CD LYS A 129 5.943 9.962 -5.638 1.00 2.53 C ATOM 1897 CE LYS A 129 6.892 10.443 -4.525 1.00 3.29 C ATOM 1898 NZ LYS A 129 8.298 10.563 -4.993 1.00 3.56 N ATOM 0 H LYS A 129 1.246 7.933 -5.137 1.00 1.61 H new ATOM 0 HA LYS A 129 1.797 10.712 -5.950 1.00 1.66 H new ATOM 0 HB2 LYS A 129 3.705 8.321 -6.092 1.00 1.81 H new ATOM 0 HB3 LYS A 129 3.827 9.632 -7.248 1.00 1.81 H new ATOM 0 HG2 LYS A 129 4.211 11.214 -5.281 1.00 2.30 H new ATOM 0 HG3 LYS A 129 4.293 9.805 -4.243 1.00 2.30 H new ATOM 0 HD2 LYS A 129 6.131 8.908 -5.843 1.00 2.53 H new ATOM 0 HD3 LYS A 129 6.157 10.509 -6.556 1.00 2.53 H new ATOM 0 HE2 LYS A 129 6.552 11.410 -4.153 1.00 3.29 H new ATOM 0 HE3 LYS A 129 6.849 9.746 -3.688 1.00 3.29 H new ATOM 0 HZ1 LYS A 129 8.898 10.890 -4.209 1.00 3.56 H new ATOM 0 HZ2 LYS A 129 8.634 9.636 -5.323 1.00 3.56 H new ATOM 0 HZ3 LYS A 129 8.347 11.247 -5.774 1.00 3.56 H new ATOM 1912 N ALA A 130 0.955 10.096 -8.297 1.00 1.66 N ATOM 1913 CA ALA A 130 0.926 9.787 -9.744 1.00 1.42 C ATOM 1914 C ALA A 130 2.359 9.788 -10.326 1.00 1.26 C ATOM 1915 O ALA A 130 3.277 10.224 -9.631 1.00 1.56 O ATOM 1916 CB ALA A 130 0.035 10.801 -10.470 1.00 1.75 C ATOM 0 H ALA A 130 0.696 11.056 -8.068 1.00 1.66 H new ATOM 0 HA ALA A 130 0.509 8.791 -9.890 1.00 1.42 H new ATOM 0 HB1 ALA A 130 0.015 10.571 -11.535 1.00 1.75 H new ATOM 0 HB2 ALA A 130 -0.977 10.749 -10.069 1.00 1.75 H new ATOM 0 HB3 ALA A 130 0.432 11.805 -10.323 1.00 1.75 H new ATOM 1922 N THR A 131 2.547 9.377 -11.591 1.00 1.30 N ATOM 1923 CA THR A 131 3.868 9.369 -12.251 1.00 1.60 C ATOM 1924 C THR A 131 4.527 10.752 -12.308 1.00 2.11 C ATOM 1925 O THR A 131 5.747 10.827 -12.191 1.00 2.74 O ATOM 1926 CB THR A 131 3.773 8.696 -13.625 1.00 1.99 C ATOM 1927 OG1 THR A 131 5.071 8.403 -14.060 1.00 2.67 O ATOM 1928 CG2 THR A 131 3.069 9.524 -14.704 1.00 2.91 C ATOM 0 H THR A 131 1.790 9.041 -12.186 1.00 1.30 H new ATOM 0 HA THR A 131 4.538 8.773 -11.632 1.00 1.60 H new ATOM 0 HB THR A 131 3.161 7.805 -13.487 1.00 1.99 H new ATOM 0 HG1 THR A 131 5.032 7.970 -14.938 1.00 2.67 H new ATOM 0 HG21 THR A 131 3.052 8.964 -15.639 1.00 2.91 H new ATOM 0 HG22 THR A 131 2.047 9.737 -14.390 1.00 2.91 H new ATOM 0 HG23 THR A 131 3.606 10.461 -14.852 1.00 2.91 H new ATOM 1936 N ASP A 132 3.735 11.824 -12.399 1.00 2.16 N ATOM 1937 CA ASP A 132 4.193 13.221 -12.363 1.00 2.87 C ATOM 1938 C ASP A 132 4.388 13.782 -10.931 1.00 3.51 C ATOM 1939 O ASP A 132 4.441 14.996 -10.722 1.00 4.54 O ATOM 1940 CB ASP A 132 3.177 14.048 -13.165 1.00 3.56 C ATOM 1941 CG ASP A 132 3.170 13.696 -14.656 1.00 3.27 C ATOM 1942 OD1 ASP A 132 4.261 13.556 -15.255 1.00 3.49 O ATOM 1943 OD2 ASP A 132 2.065 13.587 -15.229 1.00 3.78 O ATOM 0 H ASP A 132 2.724 11.744 -12.503 1.00 2.16 H new ATOM 0 HA ASP A 132 5.187 13.279 -12.806 1.00 2.87 H new ATOM 0 HB2 ASP A 132 2.180 13.888 -12.754 1.00 3.56 H new ATOM 0 HB3 ASP A 132 3.404 15.108 -13.048 1.00 3.56 H new ATOM 1948 N GLY A 133 4.446 12.913 -9.908 1.00 3.35 N ATOM 1949 CA GLY A 133 4.605 13.307 -8.500 1.00 4.18 C ATOM 1950 C GLY A 133 3.413 14.107 -7.969 1.00 3.16 C ATOM 1951 O GLY A 133 3.602 15.105 -7.273 1.00 3.99 O ATOM 0 H GLY A 133 4.383 11.903 -10.039 1.00 3.35 H new ATOM 0 HA2 GLY A 133 4.737 12.413 -7.890 1.00 4.18 H new ATOM 0 HA3 GLY A 133 5.512 13.902 -8.394 1.00 4.18 H new ATOM 1955 N ARG A 134 2.186 13.739 -8.383 1.00 2.49 N ATOM 1956 CA ARG A 134 1.003 14.616 -8.261 1.00 3.37 C ATOM 1957 C ARG A 134 0.344 14.662 -6.877 1.00 3.50 C ATOM 1958 O ARG A 134 -0.262 15.665 -6.511 1.00 4.17 O ATOM 1959 CB ARG A 134 0.000 14.290 -9.382 1.00 4.77 C ATOM 1960 CG ARG A 134 -1.112 15.326 -9.636 1.00 6.26 C ATOM 1961 CD ARG A 134 -2.335 15.193 -8.705 1.00 7.65 C ATOM 1962 NE ARG A 134 -3.595 15.155 -9.465 1.00 9.68 N ATOM 1963 CZ ARG A 134 -4.252 16.169 -10.011 1.00 10.79 C ATOM 1964 NH1 ARG A 134 -3.888 17.423 -9.826 1.00 10.45 N ATOM 1965 NH2 ARG A 134 -5.280 15.893 -10.781 1.00 12.63 N ATOM 0 H ARG A 134 1.986 12.834 -8.808 1.00 2.49 H new ATOM 0 HA ARG A 134 1.372 15.635 -8.381 1.00 3.37 H new ATOM 0 HB2 ARG A 134 0.557 14.154 -10.309 1.00 4.77 H new ATOM 0 HB3 ARG A 134 -0.471 13.335 -9.150 1.00 4.77 H new ATOM 0 HG2 ARG A 134 -0.692 16.326 -9.523 1.00 6.26 H new ATOM 0 HG3 ARG A 134 -1.446 15.235 -10.669 1.00 6.26 H new ATOM 0 HD2 ARG A 134 -2.242 14.285 -8.109 1.00 7.65 H new ATOM 0 HD3 ARG A 134 -2.355 16.031 -8.008 1.00 7.65 H new ATOM 0 HE ARG A 134 -4.015 14.234 -9.587 1.00 9.68 H new ATOM 0 HH11 ARG A 134 -3.077 17.638 -9.247 1.00 10.45 H new ATOM 0 HH12 ARG A 134 -4.418 18.178 -10.262 1.00 10.45 H new ATOM 0 HH21 ARG A 134 -5.550 14.923 -10.943 1.00 12.63 H new ATOM 0 HH22 ARG A 134 -5.808 16.649 -11.217 1.00 12.63 H new ATOM 1979 N THR A 135 0.483 13.583 -6.128 1.00 3.40 N ATOM 1980 CA THR A 135 0.271 13.497 -4.685 1.00 3.36 C ATOM 1981 C THR A 135 1.651 13.285 -4.067 1.00 1.91 C ATOM 1982 O THR A 135 2.628 13.078 -4.796 1.00 2.33 O ATOM 1983 CB THR A 135 -0.751 12.398 -4.340 1.00 4.79 C ATOM 1984 OG1 THR A 135 -0.758 11.361 -5.301 1.00 5.66 O ATOM 1985 CG2 THR A 135 -2.155 13.002 -4.334 1.00 5.92 C ATOM 0 H THR A 135 0.763 12.688 -6.529 1.00 3.40 H new ATOM 0 HA THR A 135 -0.170 14.405 -4.274 1.00 3.36 H new ATOM 0 HB THR A 135 -0.470 11.992 -3.368 1.00 4.79 H new ATOM 0 HG1 THR A 135 -1.520 10.768 -5.136 1.00 5.66 H new ATOM 0 HG21 THR A 135 -2.883 12.228 -4.090 1.00 5.92 H new ATOM 0 HG22 THR A 135 -2.206 13.796 -3.589 1.00 5.92 H new ATOM 0 HG23 THR A 135 -2.378 13.413 -5.318 1.00 5.92 H new ATOM 1993 N LEU A 136 1.724 13.351 -2.734 1.00 1.59 N ATOM 1994 CA LEU A 136 2.941 13.107 -1.953 1.00 1.27 C ATOM 1995 C LEU A 136 2.582 12.652 -0.524 1.00 1.03 C ATOM 1996 O LEU A 136 1.749 11.754 -0.389 1.00 1.00 O ATOM 1997 CB LEU A 136 3.940 14.285 -2.104 1.00 2.78 C ATOM 1998 CG LEU A 136 3.617 15.672 -1.483 1.00 3.51 C ATOM 1999 CD1 LEU A 136 4.752 16.646 -1.833 1.00 4.52 C ATOM 2000 CD2 LEU A 136 2.284 16.281 -1.946 1.00 4.05 C ATOM 0 H LEU A 136 0.918 13.581 -2.153 1.00 1.59 H new ATOM 0 HA LEU A 136 3.503 12.262 -2.351 1.00 1.27 H new ATOM 0 HB2 LEU A 136 4.891 13.957 -1.684 1.00 2.78 H new ATOM 0 HB3 LEU A 136 4.099 14.439 -3.171 1.00 2.78 H new ATOM 0 HG LEU A 136 3.525 15.513 -0.409 1.00 3.51 H new ATOM 0 HD11 LEU A 136 4.538 17.624 -1.403 1.00 4.52 H new ATOM 0 HD12 LEU A 136 5.692 16.270 -1.429 1.00 4.52 H new ATOM 0 HD13 LEU A 136 4.833 16.736 -2.916 1.00 4.52 H new ATOM 0 HD21 LEU A 136 2.139 17.248 -1.464 1.00 4.05 H new ATOM 0 HD22 LEU A 136 2.301 16.414 -3.028 1.00 4.05 H new ATOM 0 HD23 LEU A 136 1.466 15.614 -1.675 1.00 4.05 H new ATOM 2012 N ASN A 137 3.193 13.229 0.517 1.00 1.42 N ATOM 2013 CA ASN A 137 2.833 13.013 1.910 1.00 1.35 C ATOM 2014 C ASN A 137 1.343 13.316 2.125 1.00 1.38 C ATOM 2015 O ASN A 137 0.934 14.478 2.145 1.00 1.93 O ATOM 2016 CB ASN A 137 3.727 13.856 2.834 1.00 1.78 C ATOM 2017 CG ASN A 137 3.372 13.642 4.301 1.00 2.77 C ATOM 2018 OD1 ASN A 137 3.973 12.839 4.990 1.00 4.08 O ATOM 2019 ND2 ASN A 137 2.351 14.316 4.802 1.00 2.90 N ATOM 0 H ASN A 137 3.973 13.876 0.403 1.00 1.42 H new ATOM 0 HA ASN A 137 2.999 11.966 2.163 1.00 1.35 H new ATOM 0 HB2 ASN A 137 4.772 13.594 2.669 1.00 1.78 H new ATOM 0 HB3 ASN A 137 3.620 14.911 2.583 1.00 1.78 H new ATOM 0 HD21 ASN A 137 2.065 14.164 5.769 1.00 2.90 H new ATOM 0 HD22 ASN A 137 1.850 14.988 4.221 1.00 2.90 H new ATOM 2026 N VAL A 138 0.574 12.254 2.328 1.00 1.06 N ATOM 2027 CA VAL A 138 -0.866 12.225 2.622 1.00 1.30 C ATOM 2028 C VAL A 138 -1.089 11.656 4.031 1.00 1.14 C ATOM 2029 O VAL A 138 -0.405 10.721 4.459 1.00 1.02 O ATOM 2030 CB VAL A 138 -1.622 11.417 1.531 1.00 1.60 C ATOM 2031 CG1 VAL A 138 -3.057 11.023 1.916 1.00 1.82 C ATOM 2032 CG2 VAL A 138 -1.694 12.229 0.225 1.00 2.02 C ATOM 0 H VAL A 138 0.965 11.313 2.290 1.00 1.06 H new ATOM 0 HA VAL A 138 -1.270 13.237 2.604 1.00 1.30 H new ATOM 0 HB VAL A 138 -1.048 10.498 1.410 1.00 1.60 H new ATOM 0 HG11 VAL A 138 -3.512 10.462 1.099 1.00 1.82 H new ATOM 0 HG12 VAL A 138 -3.036 10.404 2.813 1.00 1.82 H new ATOM 0 HG13 VAL A 138 -3.642 11.922 2.109 1.00 1.82 H new ATOM 0 HG21 VAL A 138 -2.226 11.653 -0.533 1.00 2.02 H new ATOM 0 HG22 VAL A 138 -2.223 13.165 0.407 1.00 2.02 H new ATOM 0 HG23 VAL A 138 -0.685 12.445 -0.125 1.00 2.02 H new ATOM 2042 N ALA A 139 -2.056 12.237 4.754 1.00 1.52 N ATOM 2043 CA ALA A 139 -2.524 11.738 6.045 1.00 1.61 C ATOM 2044 C ALA A 139 -3.226 10.374 5.892 1.00 1.65 C ATOM 2045 O ALA A 139 -4.102 10.203 5.044 1.00 1.85 O ATOM 2046 CB ALA A 139 -3.438 12.795 6.681 1.00 2.02 C ATOM 0 H ALA A 139 -2.540 13.081 4.449 1.00 1.52 H new ATOM 0 HA ALA A 139 -1.674 11.569 6.706 1.00 1.61 H new ATOM 0 HB1 ALA A 139 -3.794 12.435 7.646 1.00 2.02 H new ATOM 0 HB2 ALA A 139 -2.880 13.721 6.823 1.00 2.02 H new ATOM 0 HB3 ALA A 139 -4.289 12.981 6.026 1.00 2.02 H new ATOM 2052 N ALA A 140 -2.827 9.409 6.723 1.00 1.61 N ATOM 2053 CA ALA A 140 -3.162 7.983 6.620 1.00 1.55 C ATOM 2054 C ALA A 140 -3.237 7.331 8.017 1.00 1.30 C ATOM 2055 O ALA A 140 -2.836 7.953 9.006 1.00 1.27 O ATOM 2056 CB ALA A 140 -2.090 7.345 5.727 1.00 1.70 C ATOM 0 H ALA A 140 -2.232 9.608 7.527 1.00 1.61 H new ATOM 0 HA ALA A 140 -4.148 7.834 6.179 1.00 1.55 H new ATOM 0 HB1 ALA A 140 -2.294 6.280 5.618 1.00 1.70 H new ATOM 0 HB2 ALA A 140 -2.104 7.819 4.746 1.00 1.70 H new ATOM 0 HB3 ALA A 140 -1.109 7.482 6.182 1.00 1.70 H new ATOM 2062 N THR A 141 -3.739 6.092 8.122 1.00 1.22 N ATOM 2063 CA THR A 141 -4.236 5.518 9.397 1.00 1.16 C ATOM 2064 C THR A 141 -3.582 4.181 9.731 1.00 1.11 C ATOM 2065 O THR A 141 -3.105 3.473 8.843 1.00 1.19 O ATOM 2066 CB THR A 141 -5.765 5.377 9.325 1.00 1.23 C ATOM 2067 OG1 THR A 141 -6.296 6.602 8.880 1.00 1.39 O ATOM 2068 CG2 THR A 141 -6.437 5.085 10.671 1.00 1.25 C ATOM 0 H THR A 141 -3.815 5.454 7.330 1.00 1.22 H new ATOM 0 HA THR A 141 -3.965 6.200 10.203 1.00 1.16 H new ATOM 0 HB THR A 141 -5.960 4.535 8.661 1.00 1.23 H new ATOM 0 HG1 THR A 141 -7.272 6.535 8.825 1.00 1.39 H new ATOM 0 HG21 THR A 141 -7.514 5.001 10.529 1.00 1.25 H new ATOM 0 HG22 THR A 141 -6.050 4.150 11.075 1.00 1.25 H new ATOM 0 HG23 THR A 141 -6.225 5.897 11.367 1.00 1.25 H new ATOM 2076 N VAL A 142 -3.590 3.798 11.005 1.00 1.10 N ATOM 2077 CA VAL A 142 -3.110 2.489 11.459 1.00 1.15 C ATOM 2078 C VAL A 142 -4.241 1.749 12.178 1.00 1.23 C ATOM 2079 O VAL A 142 -5.079 2.368 12.828 1.00 1.38 O ATOM 2080 CB VAL A 142 -1.861 2.657 12.348 1.00 1.44 C ATOM 2081 CG1 VAL A 142 -1.287 1.291 12.745 1.00 1.70 C ATOM 2082 CG2 VAL A 142 -0.805 3.502 11.613 1.00 1.96 C ATOM 0 H VAL A 142 -3.932 4.391 11.761 1.00 1.10 H new ATOM 0 HA VAL A 142 -2.812 1.886 10.602 1.00 1.15 H new ATOM 0 HB VAL A 142 -2.149 3.175 13.263 1.00 1.44 H new ATOM 0 HG11 VAL A 142 -0.407 1.434 13.372 1.00 1.70 H new ATOM 0 HG12 VAL A 142 -2.038 0.727 13.298 1.00 1.70 H new ATOM 0 HG13 VAL A 142 -1.007 0.739 11.848 1.00 1.70 H new ATOM 0 HG21 VAL A 142 0.075 3.617 12.247 1.00 1.96 H new ATOM 0 HG22 VAL A 142 -0.522 3.004 10.686 1.00 1.96 H new ATOM 0 HG23 VAL A 142 -1.219 4.484 11.386 1.00 1.96 H new ATOM 2092 N LYS A 143 -4.279 0.424 12.009 1.00 1.33 N ATOM 2093 CA LYS A 143 -5.327 -0.482 12.485 1.00 1.41 C ATOM 2094 C LYS A 143 -4.688 -1.818 12.921 1.00 1.87 C ATOM 2095 O LYS A 143 -3.666 -2.235 12.366 1.00 2.90 O ATOM 2096 CB LYS A 143 -6.332 -0.667 11.330 1.00 1.54 C ATOM 2097 CG LYS A 143 -7.563 -1.533 11.652 1.00 1.81 C ATOM 2098 CD LYS A 143 -8.497 -1.618 10.431 1.00 2.42 C ATOM 2099 CE LYS A 143 -9.709 -2.510 10.735 1.00 3.08 C ATOM 2100 NZ LYS A 143 -10.647 -2.619 9.586 1.00 3.83 N ATOM 0 H LYS A 143 -3.540 -0.071 11.510 1.00 1.33 H new ATOM 0 HA LYS A 143 -5.851 -0.080 13.352 1.00 1.41 H new ATOM 0 HB2 LYS A 143 -6.676 0.317 11.010 1.00 1.54 H new ATOM 0 HB3 LYS A 143 -5.808 -1.112 10.484 1.00 1.54 H new ATOM 0 HG2 LYS A 143 -7.245 -2.534 11.944 1.00 1.81 H new ATOM 0 HG3 LYS A 143 -8.101 -1.110 12.500 1.00 1.81 H new ATOM 0 HD2 LYS A 143 -8.835 -0.619 10.155 1.00 2.42 H new ATOM 0 HD3 LYS A 143 -7.951 -2.017 9.576 1.00 2.42 H new ATOM 0 HE2 LYS A 143 -9.362 -3.506 11.010 1.00 3.08 H new ATOM 0 HE3 LYS A 143 -10.242 -2.109 11.597 1.00 3.08 H new ATOM 0 HZ1 LYS A 143 -11.446 -3.232 9.847 1.00 3.83 H new ATOM 0 HZ2 LYS A 143 -11.003 -1.674 9.337 1.00 3.83 H new ATOM 0 HZ3 LYS A 143 -10.149 -3.027 8.769 1.00 3.83 H new ATOM 2114 N LYS A 144 -5.261 -2.527 13.902 1.00 1.71 N ATOM 2115 CA LYS A 144 -4.749 -3.841 14.313 1.00 2.13 C ATOM 2116 C LYS A 144 -4.813 -4.857 13.152 1.00 1.95 C ATOM 2117 O LYS A 144 -5.820 -4.926 12.449 1.00 2.33 O ATOM 2118 CB LYS A 144 -5.439 -4.321 15.607 1.00 2.88 C ATOM 2119 CG LYS A 144 -6.967 -4.541 15.556 1.00 3.50 C ATOM 2120 CD LYS A 144 -7.483 -4.874 16.971 1.00 4.60 C ATOM 2121 CE LYS A 144 -8.981 -5.220 17.061 1.00 5.73 C ATOM 2122 NZ LYS A 144 -9.882 -4.043 16.986 1.00 6.77 N ATOM 0 H LYS A 144 -6.078 -2.213 14.425 1.00 1.71 H new ATOM 0 HA LYS A 144 -3.691 -3.747 14.557 1.00 2.13 H new ATOM 0 HB2 LYS A 144 -4.973 -5.259 15.910 1.00 2.88 H new ATOM 0 HB3 LYS A 144 -5.229 -3.593 16.391 1.00 2.88 H new ATOM 0 HG2 LYS A 144 -7.462 -3.647 15.177 1.00 3.50 H new ATOM 0 HG3 LYS A 144 -7.206 -5.353 14.869 1.00 3.50 H new ATOM 0 HD2 LYS A 144 -6.909 -5.715 17.361 1.00 4.60 H new ATOM 0 HD3 LYS A 144 -7.284 -4.023 17.622 1.00 4.60 H new ATOM 0 HE2 LYS A 144 -9.233 -5.908 16.254 1.00 5.73 H new ATOM 0 HE3 LYS A 144 -9.165 -5.746 17.998 1.00 5.73 H new ATOM 0 HZ1 LYS A 144 -10.871 -4.358 17.053 1.00 6.77 H new ATOM 0 HZ2 LYS A 144 -9.671 -3.394 17.771 1.00 6.77 H new ATOM 0 HZ3 LYS A 144 -9.736 -3.551 16.081 1.00 6.77 H new ATOM 2136 N ASN A 145 -3.737 -5.614 12.912 1.00 2.48 N ATOM 2137 CA ASN A 145 -3.710 -6.617 11.849 1.00 3.05 C ATOM 2138 C ASN A 145 -4.726 -7.729 12.164 1.00 2.47 C ATOM 2139 O ASN A 145 -4.735 -8.293 13.262 1.00 3.80 O ATOM 2140 CB ASN A 145 -2.272 -7.135 11.666 1.00 4.93 C ATOM 2141 CG ASN A 145 -2.058 -7.992 10.421 1.00 6.04 C ATOM 2142 OD1 ASN A 145 -2.991 -8.448 9.782 1.00 5.77 O ATOM 2143 ND2 ASN A 145 -0.816 -8.198 10.022 1.00 7.74 N ATOM 0 H ASN A 145 -2.870 -5.548 13.445 1.00 2.48 H new ATOM 0 HA ASN A 145 -4.009 -6.180 10.896 1.00 3.05 H new ATOM 0 HB2 ASN A 145 -1.595 -6.282 11.624 1.00 4.93 H new ATOM 0 HB3 ASN A 145 -1.996 -7.718 12.544 1.00 4.93 H new ATOM 0 HD21 ASN A 145 -0.635 -8.740 9.177 1.00 7.74 H new ATOM 0 HD22 ASN A 145 -0.038 -7.815 10.559 1.00 7.74 H new ATOM 2150 N ILE A 146 -5.612 -8.040 11.217 1.00 2.42 N ATOM 2151 CA ILE A 146 -6.735 -8.976 11.374 1.00 3.63 C ATOM 2152 C ILE A 146 -6.258 -10.430 11.184 1.00 3.99 C ATOM 2153 O ILE A 146 -6.699 -11.157 10.296 1.00 4.88 O ATOM 2154 CB ILE A 146 -7.882 -8.534 10.437 1.00 5.24 C ATOM 2155 CG1 ILE A 146 -8.246 -7.030 10.566 1.00 6.49 C ATOM 2156 CG2 ILE A 146 -9.167 -9.364 10.652 1.00 6.94 C ATOM 2157 CD1 ILE A 146 -8.664 -6.571 11.971 1.00 7.88 C ATOM 0 H ILE A 146 -5.569 -7.633 10.283 1.00 2.42 H new ATOM 0 HA ILE A 146 -7.136 -8.951 12.387 1.00 3.63 H new ATOM 0 HB ILE A 146 -7.490 -8.710 9.435 1.00 5.24 H new ATOM 0 HG12 ILE A 146 -7.388 -6.438 10.249 1.00 6.49 H new ATOM 0 HG13 ILE A 146 -9.059 -6.810 9.874 1.00 6.49 H new ATOM 0 HG21 ILE A 146 -9.943 -9.016 9.971 1.00 6.94 H new ATOM 0 HG22 ILE A 146 -8.958 -10.416 10.456 1.00 6.94 H new ATOM 0 HG23 ILE A 146 -9.508 -9.247 11.681 1.00 6.94 H new ATOM 0 HD11 ILE A 146 -8.897 -5.506 11.952 1.00 7.88 H new ATOM 0 HD12 ILE A 146 -9.544 -7.129 12.289 1.00 7.88 H new ATOM 0 HD13 ILE A 146 -7.848 -6.751 12.671 1.00 7.88 H new ATOM 2169 N GLU A 147 -5.298 -10.825 12.021 1.00 3.87 N ATOM 2170 CA GLU A 147 -4.690 -12.164 12.066 1.00 4.76 C ATOM 2171 C GLU A 147 -3.979 -12.464 13.407 1.00 4.42 C ATOM 2172 O GLU A 147 -3.956 -13.624 13.816 1.00 5.25 O ATOM 2173 CB GLU A 147 -3.723 -12.345 10.872 1.00 5.69 C ATOM 2174 CG GLU A 147 -3.420 -13.808 10.496 1.00 6.72 C ATOM 2175 CD GLU A 147 -4.479 -14.435 9.579 1.00 8.28 C ATOM 2176 OE1 GLU A 147 -5.642 -14.632 10.019 1.00 9.06 O ATOM 2177 OE2 GLU A 147 -4.135 -14.760 8.415 1.00 9.06 O ATOM 0 H GLU A 147 -4.902 -10.195 12.719 1.00 3.87 H new ATOM 0 HA GLU A 147 -5.501 -12.888 11.988 1.00 4.76 H new ATOM 0 HB2 GLU A 147 -4.146 -11.842 10.002 1.00 5.69 H new ATOM 0 HB3 GLU A 147 -2.784 -11.843 11.105 1.00 5.69 H new ATOM 0 HG2 GLU A 147 -2.449 -13.855 10.002 1.00 6.72 H new ATOM 0 HG3 GLU A 147 -3.343 -14.401 11.407 1.00 6.72 H new