USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 746 hydrogens (6 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 NoAdj-H: B 584 TPO H2 : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD Set 1.1: A 470 THR OG1 : rot 112:sc= 0.792 USER MOD Set 1.2: A 471 LYS NZ :NH3+ 156:sc= 0.636 (180deg=-0.256) USER MOD Set 2.1: A 462 TYR OH : rot -171:sc= 1.06 USER MOD Set 2.2: A 476 LYS NZ :NH3+ -123:sc= 1.79 (180deg=0.0192) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 464 THR OG1 : rot -66:sc= -0.425 USER MOD Single : A 466 LYS NZ :NH3+ -150:sc= -0.0161 (180deg=-1.19) USER MOD Single : A 468 MET CE :methyl -160:sc= -7.93! (180deg=-10.6!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.6!) USER MOD Single : A 479 THR OG1 : rot -31:sc= 1.08 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot -85:sc= -0.197 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0.0843 USER MOD Single : A 488 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 489 THR OG1 : rot 72:sc= 0.359 USER MOD Single : A 491 ASN : amide:sc=-0.00981 X(o=-0.0098,f=-0.022) USER MOD Single : A 495 GLN : amide:sc= -4.71! K(o=-4.7!,f=-2.9) USER MOD Single : A 498 LYS NZ :NH3+ 169:sc= -3.96! (180deg=-4.46!) USER MOD Single : A 501 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.8!) USER MOD Single : A 505 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.648) USER MOD Single : A 506 MET CE :methyl 163:sc= -0.7 (180deg=-1.32) USER MOD Single : A 508 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.5!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 166:sc= -1.93 (180deg=-2.85) USER MOD Single : A 512 HIS : no HD1:sc= -11.9! C(o=-12!,f=-13!) USER MOD Single : A 514 SER OG : rot 99:sc= -5.36! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS : no HD1:sc= -5.72! C(o=-5.7!,f=-4.9!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 -2.721 -5.469 24.014 1.00 3.92 N ATOM 2 CA GLU B 582 -1.465 -6.233 23.793 1.00 3.29 C ATOM 3 C GLU B 582 -0.519 -5.480 22.863 1.00 2.18 C ATOM 4 O GLU B 582 -0.855 -4.413 22.350 1.00 2.06 O ATOM 5 CB GLU B 582 -1.821 -7.595 23.195 1.00 4.06 C ATOM 6 CG GLU B 582 -0.945 -8.729 23.701 1.00 4.51 C ATOM 7 CD GLU B 582 -1.646 -9.591 24.733 1.00 5.37 C ATOM 8 OE1 GLU B 582 -2.505 -10.408 24.340 1.00 5.87 O ATOM 9 OE2 GLU B 582 -1.335 -9.449 25.934 1.00 5.87 O ATOM 0 HA GLU B 582 -0.953 -6.364 24.746 1.00 3.29 H new ATOM 0 HB2 GLU B 582 -2.862 -7.822 23.423 1.00 4.06 H new ATOM 0 HB3 GLU B 582 -1.738 -7.539 22.110 1.00 4.06 H new ATOM 0 HG2 GLU B 582 -0.641 -9.351 22.859 1.00 4.51 H new ATOM 0 HG3 GLU B 582 -0.036 -8.314 24.136 1.00 4.51 H new ATOM 18 N ASP B 583 0.666 -6.044 22.651 1.00 1.99 N ATOM 19 CA ASP B 583 1.662 -5.426 21.783 1.00 1.78 C ATOM 20 C ASP B 583 1.137 -5.298 20.357 1.00 1.67 C ATOM 21 O ASP B 583 1.306 -6.202 19.539 1.00 2.46 O ATOM 22 CB ASP B 583 2.955 -6.244 21.792 1.00 2.82 C ATOM 23 CG ASP B 583 2.705 -7.727 21.602 1.00 3.29 C ATOM 24 OD1 ASP B 583 1.603 -8.089 21.137 1.00 3.92 O ATOM 25 OD2 ASP B 583 3.610 -8.527 21.918 1.00 3.57 O ATOM 0 H ASP B 583 0.960 -6.927 23.068 1.00 1.99 H new ATOM 0 HA ASP B 583 1.870 -4.427 22.165 1.00 1.78 H new ATOM 0 HB2 ASP B 583 3.613 -5.886 21.001 1.00 2.82 H new ATOM 0 HB3 ASP B 583 3.475 -6.085 22.736 1.00 2.82 H new HETATM 30 N TPO B 584 0.502 -4.168 20.065 1.00 1.08 N HETATM 31 CA TPO B 584 -0.046 -3.919 18.737 1.00 0.91 C HETATM 32 CB TPO B 584 -0.789 -2.579 18.711 1.00 0.94 C HETATM 33 CG2 TPO B 584 -1.143 -2.110 17.312 1.00 0.87 C HETATM 34 OG1 TPO B 584 -1.989 -2.695 19.478 1.00 1.06 O HETATM 35 P TPO B 584 -2.291 -1.247 20.119 1.00 1.58 P HETATM 36 O1P TPO B 584 -3.715 -1.170 20.515 1.00 2.41 O HETATM 37 O2P TPO B 584 -1.363 -1.031 21.416 1.00 2.23 O HETATM 38 O3P TPO B 584 -1.974 -0.100 19.034 1.00 2.43 O HETATM 39 C TPO B 584 1.066 -3.910 17.692 1.00 0.82 C HETATM 40 O TPO B 584 1.582 -2.851 17.335 1.00 0.76 O HETATM 0 HG23 TPO B 584 -0.231 -1.988 16.727 1.00 0.87 H new HETATM 0 HG22 TPO B 584 -1.786 -2.848 16.832 1.00 0.87 H new HETATM 0 HG21 TPO B 584 -1.667 -1.156 17.370 1.00 0.87 H new HETATM 0 HB TPO B 584 -0.113 -1.836 19.134 1.00 0.94 H new HETATM 0 HA TPO B 584 -0.746 -4.720 18.501 1.00 0.91 H new HETATM 0 H TPO B 584 0.360 -3.487 20.811 1.00 1.08 H new ATOM 47 N ASP B 585 1.431 -5.090 17.201 1.00 0.88 N ATOM 48 CA ASP B 585 2.475 -5.198 16.200 1.00 0.88 C ATOM 49 C ASP B 585 1.886 -5.112 14.794 1.00 0.81 C ATOM 50 O ASP B 585 2.182 -5.938 13.931 1.00 0.96 O ATOM 51 CB ASP B 585 3.234 -6.515 16.373 1.00 1.13 C ATOM 52 CG ASP B 585 4.672 -6.424 15.904 1.00 1.66 C ATOM 53 OD1 ASP B 585 5.455 -5.679 16.531 1.00 2.46 O ATOM 54 OD2 ASP B 585 5.017 -7.099 14.912 1.00 2.06 O ATOM 0 H ASP B 585 1.018 -5.980 17.482 1.00 0.88 H new ATOM 0 HA ASP B 585 3.168 -4.368 16.334 1.00 0.88 H new ATOM 0 HB2 ASP B 585 3.216 -6.805 17.423 1.00 1.13 H new ATOM 0 HB3 ASP B 585 2.723 -7.301 15.816 1.00 1.13 H new ATOM 59 N GLU B 586 1.057 -4.096 14.571 1.00 0.69 N ATOM 60 CA GLU B 586 0.430 -3.884 13.277 1.00 0.77 C ATOM 61 C GLU B 586 1.340 -3.073 12.362 1.00 0.69 C ATOM 62 O GLU B 586 1.388 -3.296 11.154 1.00 0.89 O ATOM 63 CB GLU B 586 -0.913 -3.170 13.446 1.00 0.85 C ATOM 64 CG GLU B 586 -0.790 -1.777 14.040 1.00 0.81 C ATOM 65 CD GLU B 586 -2.139 -1.133 14.298 1.00 1.50 C ATOM 66 OE1 GLU B 586 -3.040 -1.828 14.812 1.00 2.30 O ATOM 67 OE2 GLU B 586 -2.293 0.067 13.985 1.00 1.99 O ATOM 0 H GLU B 586 0.805 -3.404 15.277 1.00 0.69 H new ATOM 0 HA GLU B 586 0.258 -4.858 12.820 1.00 0.77 H new ATOM 0 HB2 GLU B 586 -1.403 -3.100 12.475 1.00 0.85 H new ATOM 0 HB3 GLU B 586 -1.558 -3.773 14.085 1.00 0.85 H new ATOM 0 HG2 GLU B 586 -0.233 -1.832 14.975 1.00 0.81 H new ATOM 0 HG3 GLU B 586 -0.214 -1.147 13.363 1.00 0.81 H new ATOM 74 N ASP B 587 2.046 -2.118 12.953 1.00 0.49 N ATOM 75 CA ASP B 587 2.948 -1.253 12.211 1.00 0.48 C ATOM 76 C ASP B 587 4.316 -1.901 12.018 1.00 0.45 C ATOM 77 O ASP B 587 5.061 -1.539 11.106 1.00 0.50 O ATOM 78 CB ASP B 587 3.097 0.084 12.936 1.00 0.58 C ATOM 79 CG ASP B 587 2.951 1.269 12.002 1.00 1.52 C ATOM 80 OD1 ASP B 587 1.802 1.684 11.744 1.00 2.22 O ATOM 81 OD2 ASP B 587 3.986 1.783 11.528 1.00 2.32 O ATOM 0 H ASP B 587 2.009 -1.923 13.954 1.00 0.49 H new ATOM 0 HA ASP B 587 2.518 -1.086 11.223 1.00 0.48 H new ATOM 0 HB2 ASP B 587 2.347 0.152 13.724 1.00 0.58 H new ATOM 0 HB3 ASP B 587 4.073 0.125 13.420 1.00 0.58 H new ATOM 86 N ASP B 588 4.645 -2.852 12.884 1.00 0.45 N ATOM 87 CA ASP B 588 5.928 -3.543 12.816 1.00 0.53 C ATOM 88 C ASP B 588 6.204 -4.077 11.418 1.00 0.52 C ATOM 89 O ASP B 588 7.237 -3.779 10.818 1.00 0.60 O ATOM 90 CB ASP B 588 5.962 -4.681 13.822 1.00 0.61 C ATOM 91 CG ASP B 588 7.374 -5.105 14.174 1.00 1.18 C ATOM 92 OD1 ASP B 588 8.021 -5.767 13.335 1.00 1.83 O ATOM 93 OD2 ASP B 588 7.833 -4.775 15.288 1.00 1.89 O ATOM 0 H ASP B 588 4.040 -3.163 13.644 1.00 0.45 H new ATOM 0 HA ASP B 588 6.707 -2.821 13.058 1.00 0.53 H new ATOM 0 HB2 ASP B 588 5.442 -4.375 14.729 1.00 0.61 H new ATOM 0 HB3 ASP B 588 5.420 -5.536 13.417 1.00 0.61 H new ATOM 98 N HIS B 589 5.274 -4.864 10.911 1.00 0.45 N ATOM 99 CA HIS B 589 5.400 -5.447 9.588 1.00 0.50 C ATOM 100 C HIS B 589 5.046 -4.435 8.504 1.00 0.47 C ATOM 101 O HIS B 589 5.456 -4.576 7.352 1.00 0.54 O ATOM 102 CB HIS B 589 4.501 -6.677 9.472 1.00 0.51 C ATOM 103 CG HIS B 589 3.133 -6.489 10.051 1.00 0.41 C ATOM 104 ND1 HIS B 589 2.555 -7.387 10.922 1.00 0.41 N ATOM 105 CD2 HIS B 589 2.227 -5.498 9.878 1.00 0.39 C ATOM 106 CE1 HIS B 589 1.351 -6.959 11.259 1.00 0.43 C ATOM 107 NE2 HIS B 589 1.129 -5.815 10.639 1.00 0.42 N ATOM 0 H HIS B 589 4.415 -5.116 11.400 1.00 0.45 H new ATOM 0 HA HIS B 589 6.439 -5.745 9.445 1.00 0.50 H new ATOM 0 HB2 HIS B 589 4.405 -6.946 8.420 1.00 0.51 H new ATOM 0 HB3 HIS B 589 4.984 -7.516 9.973 1.00 0.51 H new ATOM 0 HD2 HIS B 589 2.346 -4.622 9.258 1.00 0.39 H new ATOM 0 HE1 HIS B 589 0.666 -7.460 11.927 1.00 0.43 H new ATOM 0 HE2 HIS B 589 0.279 -5.256 10.713 1.00 0.42 H new ATOM 116 N LEU B 590 4.283 -3.413 8.879 1.00 0.38 N ATOM 117 CA LEU B 590 3.875 -2.376 7.938 1.00 0.37 C ATOM 118 C LEU B 590 5.091 -1.730 7.283 1.00 0.37 C ATOM 119 O LEU B 590 5.044 -1.323 6.124 1.00 0.37 O ATOM 120 CB LEU B 590 3.039 -1.310 8.648 1.00 0.37 C ATOM 121 CG LEU B 590 2.746 -0.059 7.818 1.00 0.37 C ATOM 122 CD1 LEU B 590 1.754 -0.373 6.710 1.00 0.38 C ATOM 123 CD2 LEU B 590 2.225 1.057 8.709 1.00 0.41 C ATOM 0 H LEU B 590 3.935 -3.281 9.829 1.00 0.38 H new ATOM 0 HA LEU B 590 3.269 -2.844 7.162 1.00 0.37 H new ATOM 0 HB2 LEU B 590 2.092 -1.756 8.952 1.00 0.37 H new ATOM 0 HB3 LEU B 590 3.557 -1.010 9.559 1.00 0.37 H new ATOM 0 HG LEU B 590 3.675 0.276 7.356 1.00 0.37 H new ATOM 0 HD11 LEU B 590 1.558 0.529 6.131 1.00 0.38 H new ATOM 0 HD12 LEU B 590 2.169 -1.141 6.057 1.00 0.38 H new ATOM 0 HD13 LEU B 590 0.822 -0.733 7.147 1.00 0.38 H new ATOM 0 HD21 LEU B 590 2.021 1.940 8.104 1.00 0.41 H new ATOM 0 HD22 LEU B 590 1.307 0.733 9.199 1.00 0.41 H new ATOM 0 HD23 LEU B 590 2.973 1.299 9.464 1.00 0.41 H new ATOM 135 N ILE B 591 6.177 -1.633 8.032 1.00 0.41 N ATOM 136 CA ILE B 591 7.395 -1.042 7.518 1.00 0.43 C ATOM 137 C ILE B 591 8.233 -2.084 6.775 1.00 0.39 C ATOM 138 O ILE B 591 8.970 -1.755 5.846 1.00 0.41 O ATOM 139 CB ILE B 591 8.228 -0.396 8.644 1.00 0.50 C ATOM 140 CG1 ILE B 591 7.440 0.752 9.281 1.00 0.57 C ATOM 141 CG2 ILE B 591 9.564 0.106 8.109 1.00 0.50 C ATOM 142 CD1 ILE B 591 8.174 1.433 10.416 1.00 0.69 C ATOM 0 H ILE B 591 6.237 -1.957 8.997 1.00 0.41 H new ATOM 0 HA ILE B 591 7.107 -0.258 6.818 1.00 0.43 H new ATOM 0 HB ILE B 591 8.432 -1.150 9.404 1.00 0.50 H new ATOM 0 HG12 ILE B 591 7.207 1.491 8.515 1.00 0.57 H new ATOM 0 HG13 ILE B 591 6.490 0.368 9.652 1.00 0.57 H new ATOM 0 HG21 ILE B 591 10.134 0.558 8.921 1.00 0.50 H new ATOM 0 HG22 ILE B 591 10.126 -0.730 7.692 1.00 0.50 H new ATOM 0 HG23 ILE B 591 9.388 0.849 7.331 1.00 0.50 H new ATOM 0 HD11 ILE B 591 7.556 2.236 10.819 1.00 0.69 H new ATOM 0 HD12 ILE B 591 8.383 0.707 11.201 1.00 0.69 H new ATOM 0 HD13 ILE B 591 9.112 1.848 10.046 1.00 0.69 H new ATOM 154 N TYR B 592 8.115 -3.343 7.198 1.00 0.39 N ATOM 155 CA TYR B 592 8.861 -4.437 6.581 1.00 0.41 C ATOM 156 C TYR B 592 8.423 -4.667 5.142 1.00 0.36 C ATOM 157 O TYR B 592 9.250 -4.847 4.251 1.00 0.40 O ATOM 158 CB TYR B 592 8.710 -5.724 7.415 1.00 0.52 C ATOM 159 CG TYR B 592 8.400 -6.962 6.598 1.00 0.44 C ATOM 160 CD1 TYR B 592 7.146 -7.140 6.033 1.00 0.51 C ATOM 161 CD2 TYR B 592 9.365 -7.937 6.376 1.00 1.15 C ATOM 162 CE1 TYR B 592 6.857 -8.249 5.272 1.00 0.41 C ATOM 163 CE2 TYR B 592 9.082 -9.056 5.616 1.00 1.54 C ATOM 164 CZ TYR B 592 7.826 -9.207 5.065 1.00 1.07 C ATOM 165 OH TYR B 592 7.541 -10.317 4.303 1.00 1.47 O ATOM 0 H TYR B 592 7.509 -3.629 7.967 1.00 0.39 H new ATOM 0 HA TYR B 592 9.914 -4.158 6.560 1.00 0.41 H new ATOM 0 HB2 TYR B 592 9.631 -5.892 7.973 1.00 0.52 H new ATOM 0 HB3 TYR B 592 7.916 -5.578 8.147 1.00 0.52 H new ATOM 0 HD1 TYR B 592 6.382 -6.394 6.193 1.00 0.51 H new ATOM 0 HD2 TYR B 592 10.350 -7.819 6.803 1.00 1.15 H new ATOM 0 HE1 TYR B 592 5.875 -8.368 4.839 1.00 0.41 H new ATOM 0 HE2 TYR B 592 9.840 -9.808 5.454 1.00 1.54 H new ATOM 0 HH TYR B 592 8.333 -10.893 4.255 1.00 1.47 H new ATOM 175 N LEU B 593 7.124 -4.661 4.921 1.00 0.30 N ATOM 176 CA LEU B 593 6.590 -4.869 3.585 1.00 0.27 C ATOM 177 C LEU B 593 6.783 -3.614 2.745 1.00 0.25 C ATOM 178 O LEU B 593 6.711 -3.653 1.518 1.00 0.25 O ATOM 179 CB LEU B 593 5.115 -5.307 3.638 1.00 0.27 C ATOM 180 CG LEU B 593 4.055 -4.208 3.491 1.00 0.27 C ATOM 181 CD1 LEU B 593 4.250 -3.138 4.543 1.00 0.32 C ATOM 182 CD2 LEU B 593 4.068 -3.608 2.093 1.00 0.30 C ATOM 0 H LEU B 593 6.419 -4.515 5.644 1.00 0.30 H new ATOM 0 HA LEU B 593 7.141 -5.680 3.108 1.00 0.27 H new ATOM 0 HB2 LEU B 593 4.952 -6.042 2.850 1.00 0.27 H new ATOM 0 HB3 LEU B 593 4.947 -5.815 4.588 1.00 0.27 H new ATOM 0 HG LEU B 593 3.076 -4.663 3.642 1.00 0.27 H new ATOM 0 HD11 LEU B 593 3.489 -2.367 4.423 1.00 0.32 H new ATOM 0 HD12 LEU B 593 4.163 -3.582 5.534 1.00 0.32 H new ATOM 0 HD13 LEU B 593 5.239 -2.693 4.430 1.00 0.32 H new ATOM 0 HD21 LEU B 593 3.305 -2.833 2.023 1.00 0.30 H new ATOM 0 HD22 LEU B 593 5.047 -3.173 1.893 1.00 0.30 H new ATOM 0 HD23 LEU B 593 3.861 -4.388 1.360 1.00 0.30 H new ATOM 194 N GLU B 594 7.025 -2.499 3.415 1.00 0.26 N ATOM 195 CA GLU B 594 7.230 -1.240 2.730 1.00 0.27 C ATOM 196 C GLU B 594 8.476 -1.298 1.846 1.00 0.27 C ATOM 197 O GLU B 594 8.552 -0.626 0.818 1.00 0.29 O ATOM 198 CB GLU B 594 7.339 -0.098 3.754 1.00 0.31 C ATOM 199 CG GLU B 594 8.742 0.470 3.921 1.00 0.97 C ATOM 200 CD GLU B 594 8.819 1.522 5.011 1.00 1.27 C ATOM 201 OE1 GLU B 594 7.760 2.068 5.385 1.00 1.71 O ATOM 202 OE2 GLU B 594 9.939 1.799 5.490 1.00 1.77 O ATOM 0 H GLU B 594 7.084 -2.443 4.432 1.00 0.26 H new ATOM 0 HA GLU B 594 6.373 -1.050 2.084 1.00 0.27 H new ATOM 0 HB2 GLU B 594 6.668 0.707 3.454 1.00 0.31 H new ATOM 0 HB3 GLU B 594 6.990 -0.460 4.721 1.00 0.31 H new ATOM 0 HG2 GLU B 594 9.433 -0.340 4.154 1.00 0.97 H new ATOM 0 HG3 GLU B 594 9.068 0.906 2.977 1.00 0.97 H new ATOM 209 N GLU B 595 9.457 -2.092 2.269 1.00 0.27 N ATOM 210 CA GLU B 595 10.713 -2.222 1.534 1.00 0.31 C ATOM 211 C GLU B 595 10.619 -3.219 0.385 1.00 0.30 C ATOM 212 O GLU B 595 11.104 -2.952 -0.715 1.00 0.33 O ATOM 213 CB GLU B 595 11.856 -2.603 2.480 1.00 0.37 C ATOM 214 CG GLU B 595 11.583 -3.837 3.323 1.00 0.51 C ATOM 215 CD GLU B 595 12.857 -4.499 3.812 1.00 1.17 C ATOM 216 OE1 GLU B 595 13.431 -5.311 3.057 1.00 1.79 O ATOM 217 OE2 GLU B 595 13.279 -4.206 4.951 1.00 1.85 O ATOM 0 H GLU B 595 9.406 -2.656 3.118 1.00 0.27 H new ATOM 0 HA GLU B 595 10.923 -1.247 1.095 1.00 0.31 H new ATOM 0 HB2 GLU B 595 12.758 -2.771 1.892 1.00 0.37 H new ATOM 0 HB3 GLU B 595 12.059 -1.762 3.143 1.00 0.37 H new ATOM 0 HG2 GLU B 595 10.969 -3.559 4.180 1.00 0.51 H new ATOM 0 HG3 GLU B 595 11.007 -4.553 2.737 1.00 0.51 H new ATOM 224 N ILE B 596 10.001 -4.362 0.634 1.00 0.28 N ATOM 225 CA ILE B 596 9.857 -5.388 -0.404 1.00 0.28 C ATOM 226 C ILE B 596 9.279 -4.801 -1.682 1.00 0.28 C ATOM 227 O ILE B 596 9.517 -5.308 -2.778 1.00 0.30 O ATOM 228 CB ILE B 596 8.981 -6.578 0.046 1.00 0.28 C ATOM 229 CG1 ILE B 596 7.735 -6.092 0.779 1.00 0.33 C ATOM 230 CG2 ILE B 596 9.776 -7.521 0.932 1.00 0.34 C ATOM 231 CD1 ILE B 596 6.506 -6.029 -0.095 1.00 0.55 C ATOM 0 H ILE B 596 9.592 -4.608 1.535 1.00 0.28 H new ATOM 0 HA ILE B 596 10.864 -5.762 -0.592 1.00 0.28 H new ATOM 0 HB ILE B 596 8.665 -7.119 -0.846 1.00 0.28 H new ATOM 0 HG12 ILE B 596 7.538 -6.755 1.622 1.00 0.33 H new ATOM 0 HG13 ILE B 596 7.929 -5.102 1.191 1.00 0.33 H new ATOM 0 HG21 ILE B 596 9.142 -8.353 1.239 1.00 0.34 H new ATOM 0 HG22 ILE B 596 10.634 -7.903 0.379 1.00 0.34 H new ATOM 0 HG23 ILE B 596 10.123 -6.985 1.815 1.00 0.34 H new ATOM 0 HD11 ILE B 596 5.659 -5.675 0.493 1.00 0.55 H new ATOM 0 HD12 ILE B 596 6.684 -5.344 -0.924 1.00 0.55 H new ATOM 0 HD13 ILE B 596 6.286 -7.022 -0.486 1.00 0.55 H new ATOM 243 N LEU B 597 8.523 -3.728 -1.532 1.00 0.26 N ATOM 244 CA LEU B 597 7.910 -3.058 -2.665 1.00 0.28 C ATOM 245 C LEU B 597 8.934 -2.326 -3.504 1.00 0.29 C ATOM 246 O LEU B 597 9.383 -2.813 -4.541 1.00 0.36 O ATOM 247 CB LEU B 597 6.864 -2.059 -2.179 1.00 0.27 C ATOM 248 CG LEU B 597 6.478 -0.983 -3.203 1.00 0.28 C ATOM 249 CD1 LEU B 597 5.892 -1.616 -4.453 1.00 0.35 C ATOM 250 CD2 LEU B 597 5.504 0.009 -2.590 1.00 0.30 C ATOM 0 H LEU B 597 8.318 -3.299 -0.629 1.00 0.26 H new ATOM 0 HA LEU B 597 7.441 -3.825 -3.281 1.00 0.28 H new ATOM 0 HB2 LEU B 597 5.966 -2.606 -1.891 1.00 0.27 H new ATOM 0 HB3 LEU B 597 7.240 -1.568 -1.281 1.00 0.27 H new ATOM 0 HG LEU B 597 7.380 -0.442 -3.491 1.00 0.28 H new ATOM 0 HD11 LEU B 597 5.625 -0.835 -5.165 1.00 0.35 H new ATOM 0 HD12 LEU B 597 6.628 -2.282 -4.903 1.00 0.35 H new ATOM 0 HD13 LEU B 597 5.001 -2.186 -4.189 1.00 0.35 H new ATOM 0 HD21 LEU B 597 5.241 0.765 -3.330 1.00 0.30 H new ATOM 0 HD22 LEU B 597 4.603 -0.515 -2.271 1.00 0.30 H new ATOM 0 HD23 LEU B 597 5.968 0.490 -1.729 1.00 0.30 H new ATOM 262 N VAL B 598 9.259 -1.133 -3.053 1.00 0.28 N ATOM 263 CA VAL B 598 10.184 -0.280 -3.751 1.00 0.34 C ATOM 264 C VAL B 598 11.069 0.465 -2.770 1.00 0.40 C ATOM 265 O VAL B 598 11.503 1.587 -3.030 1.00 0.44 O ATOM 266 CB VAL B 598 9.430 0.735 -4.629 1.00 0.33 C ATOM 267 CG1 VAL B 598 8.559 0.031 -5.662 1.00 0.35 C ATOM 268 CG2 VAL B 598 8.587 1.657 -3.762 1.00 0.31 C ATOM 0 H VAL B 598 8.887 -0.732 -2.192 1.00 0.28 H new ATOM 0 HA VAL B 598 10.805 -0.911 -4.386 1.00 0.34 H new ATOM 0 HB VAL B 598 10.168 1.332 -5.165 1.00 0.33 H new ATOM 0 HG11 VAL B 598 8.039 0.774 -6.267 1.00 0.35 H new ATOM 0 HG12 VAL B 598 9.185 -0.587 -6.305 1.00 0.35 H new ATOM 0 HG13 VAL B 598 7.829 -0.598 -5.154 1.00 0.35 H new ATOM 0 HG21 VAL B 598 8.059 2.370 -4.395 1.00 0.31 H new ATOM 0 HG22 VAL B 598 7.864 1.067 -3.199 1.00 0.31 H new ATOM 0 HG23 VAL B 598 9.233 2.196 -3.069 1.00 0.31 H new ATOM 278 N ARG B 599 11.322 -0.167 -1.637 1.00 0.45 N ATOM 279 CA ARG B 599 12.147 0.434 -0.605 1.00 0.57 C ATOM 280 C ARG B 599 13.064 -0.600 0.040 1.00 0.71 C ATOM 281 O ARG B 599 13.261 -0.599 1.255 1.00 0.94 O ATOM 282 CB ARG B 599 11.271 1.105 0.455 1.00 0.62 C ATOM 283 CG ARG B 599 10.696 2.438 0.009 1.00 0.64 C ATOM 284 CD ARG B 599 10.303 3.301 1.197 1.00 0.73 C ATOM 285 NE ARG B 599 11.400 4.160 1.636 1.00 0.86 N ATOM 286 CZ ARG B 599 11.458 4.736 2.835 1.00 1.19 C ATOM 287 NH1 ARG B 599 10.483 4.548 3.716 1.00 2.04 N ATOM 288 NH2 ARG B 599 12.492 5.502 3.153 1.00 1.35 N ATOM 0 H ARG B 599 10.968 -1.096 -1.409 1.00 0.45 H new ATOM 0 HA ARG B 599 12.773 1.192 -1.075 1.00 0.57 H new ATOM 0 HB2 ARG B 599 10.453 0.434 0.717 1.00 0.62 H new ATOM 0 HB3 ARG B 599 11.860 1.257 1.359 1.00 0.62 H new ATOM 0 HG2 ARG B 599 11.430 2.967 -0.599 1.00 0.64 H new ATOM 0 HG3 ARG B 599 9.824 2.266 -0.622 1.00 0.64 H new ATOM 0 HD2 ARG B 599 9.445 3.917 0.929 1.00 0.73 H new ATOM 0 HD3 ARG B 599 9.991 2.661 2.022 1.00 0.73 H new ATOM 0 HE ARG B 599 12.167 4.329 0.985 1.00 0.86 H new ATOM 0 HH11 ARG B 599 9.685 3.960 3.476 1.00 2.04 H new ATOM 0 HH12 ARG B 599 10.532 4.991 4.633 1.00 2.04 H new ATOM 0 HH21 ARG B 599 13.243 5.650 2.479 1.00 1.35 H new ATOM 0 HH22 ARG B 599 12.536 5.943 4.072 1.00 1.35 H new ATOM 302 N VAL B 600 13.626 -1.480 -0.784 1.00 0.79 N ATOM 303 CA VAL B 600 14.524 -2.520 -0.297 1.00 0.95 C ATOM 304 C VAL B 600 15.721 -1.916 0.430 1.00 1.22 C ATOM 305 O VAL B 600 16.023 -2.373 1.553 1.00 1.70 O ATOM 306 CB VAL B 600 15.033 -3.407 -1.448 1.00 0.95 C ATOM 307 CG1 VAL B 600 13.886 -4.191 -2.066 1.00 1.17 C ATOM 308 CG2 VAL B 600 15.741 -2.565 -2.499 1.00 1.71 C ATOM 309 OXT VAL B 600 16.348 -0.992 -0.130 1.00 1.80 O ATOM 0 H VAL B 600 13.475 -1.493 -1.793 1.00 0.79 H new ATOM 0 HA VAL B 600 13.950 -3.133 0.398 1.00 0.95 H new ATOM 0 HB VAL B 600 15.752 -4.119 -1.042 1.00 0.95 H new ATOM 0 HG11 VAL B 600 14.265 -4.812 -2.878 1.00 1.17 H new ATOM 0 HG12 VAL B 600 13.428 -4.826 -1.307 1.00 1.17 H new ATOM 0 HG13 VAL B 600 13.141 -3.498 -2.457 1.00 1.17 H new ATOM 0 HG21 VAL B 600 16.094 -3.209 -3.304 1.00 1.71 H new ATOM 0 HG22 VAL B 600 15.047 -1.827 -2.902 1.00 1.71 H new ATOM 0 HG23 VAL B 600 16.590 -2.054 -2.045 1.00 1.71 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -17.841 -5.225 -0.122 1.00 3.55 N ATOM 321 CA ASP A 451 -16.698 -6.081 0.291 1.00 2.93 C ATOM 322 C ASP A 451 -15.546 -5.980 -0.705 1.00 2.21 C ATOM 323 O ASP A 451 -15.244 -6.935 -1.421 1.00 2.58 O ATOM 324 CB ASP A 451 -17.184 -7.527 0.394 1.00 3.56 C ATOM 325 CG ASP A 451 -17.918 -7.980 -0.853 1.00 3.99 C ATOM 326 OD1 ASP A 451 -19.096 -7.599 -1.020 1.00 4.25 O ATOM 327 OD2 ASP A 451 -17.315 -8.716 -1.662 1.00 4.57 O ATOM 0 HA ASP A 451 -16.326 -5.741 1.258 1.00 2.93 H new ATOM 0 HB2 ASP A 451 -16.331 -8.183 0.569 1.00 3.56 H new ATOM 0 HB3 ASP A 451 -17.843 -7.625 1.256 1.00 3.56 H new ATOM 334 N VAL A 452 -14.906 -4.816 -0.746 1.00 1.63 N ATOM 335 CA VAL A 452 -13.789 -4.590 -1.654 1.00 1.01 C ATOM 336 C VAL A 452 -12.633 -5.537 -1.347 1.00 0.93 C ATOM 337 O VAL A 452 -12.375 -5.859 -0.190 1.00 1.45 O ATOM 338 CB VAL A 452 -13.289 -3.133 -1.576 1.00 1.08 C ATOM 339 CG1 VAL A 452 -12.828 -2.799 -0.166 1.00 1.89 C ATOM 340 CG2 VAL A 452 -12.172 -2.893 -2.582 1.00 1.60 C ATOM 0 H VAL A 452 -15.142 -4.015 -0.161 1.00 1.63 H new ATOM 0 HA VAL A 452 -14.153 -4.785 -2.663 1.00 1.01 H new ATOM 0 HB VAL A 452 -14.119 -2.472 -1.827 1.00 1.08 H new ATOM 0 HG11 VAL A 452 -12.479 -1.767 -0.132 1.00 1.89 H new ATOM 0 HG12 VAL A 452 -13.659 -2.924 0.528 1.00 1.89 H new ATOM 0 HG13 VAL A 452 -12.015 -3.466 0.119 1.00 1.89 H new ATOM 0 HG21 VAL A 452 -11.834 -1.859 -2.510 1.00 1.60 H new ATOM 0 HG22 VAL A 452 -11.339 -3.563 -2.368 1.00 1.60 H new ATOM 0 HG23 VAL A 452 -12.542 -3.085 -3.589 1.00 1.60 H new ATOM 350 N GLN A 453 -11.941 -5.981 -2.392 1.00 0.76 N ATOM 351 CA GLN A 453 -10.814 -6.895 -2.228 1.00 0.67 C ATOM 352 C GLN A 453 -9.523 -6.269 -2.746 1.00 0.58 C ATOM 353 O GLN A 453 -9.509 -5.630 -3.798 1.00 0.66 O ATOM 354 CB GLN A 453 -11.077 -8.220 -2.948 1.00 0.79 C ATOM 355 CG GLN A 453 -12.482 -8.353 -3.513 1.00 1.03 C ATOM 356 CD GLN A 453 -12.797 -9.764 -3.971 1.00 1.32 C ATOM 357 OE1 GLN A 453 -11.899 -10.590 -4.137 1.00 1.83 O ATOM 358 NE2 GLN A 453 -14.077 -10.047 -4.179 1.00 1.92 N ATOM 0 H GLN A 453 -12.140 -5.724 -3.359 1.00 0.76 H new ATOM 0 HA GLN A 453 -10.702 -7.092 -1.162 1.00 0.67 H new ATOM 0 HB2 GLN A 453 -10.359 -8.328 -3.761 1.00 0.79 H new ATOM 0 HB3 GLN A 453 -10.898 -9.040 -2.253 1.00 0.79 H new ATOM 0 HG2 GLN A 453 -13.204 -8.052 -2.754 1.00 1.03 H new ATOM 0 HG3 GLN A 453 -12.598 -7.668 -4.353 1.00 1.03 H new ATOM 0 HE21 GLN A 453 -14.788 -9.332 -4.029 1.00 1.92 H new ATOM 0 HE22 GLN A 453 -14.349 -10.980 -4.489 1.00 1.92 H new ATOM 367 N VAL A 454 -8.439 -6.460 -2.001 1.00 0.49 N ATOM 368 CA VAL A 454 -7.141 -5.918 -2.385 1.00 0.43 C ATOM 369 C VAL A 454 -6.582 -6.659 -3.584 1.00 0.37 C ATOM 370 O VAL A 454 -6.214 -7.829 -3.490 1.00 0.40 O ATOM 371 CB VAL A 454 -6.140 -5.987 -1.217 1.00 0.44 C ATOM 372 CG1 VAL A 454 -4.699 -5.862 -1.701 1.00 0.59 C ATOM 373 CG2 VAL A 454 -6.464 -4.899 -0.219 1.00 0.39 C ATOM 0 H VAL A 454 -8.434 -6.986 -1.127 1.00 0.49 H new ATOM 0 HA VAL A 454 -7.290 -4.872 -2.652 1.00 0.43 H new ATOM 0 HB VAL A 454 -6.233 -6.962 -0.738 1.00 0.44 H new ATOM 0 HG11 VAL A 454 -4.023 -5.915 -0.848 1.00 0.59 H new ATOM 0 HG12 VAL A 454 -4.476 -6.675 -2.392 1.00 0.59 H new ATOM 0 HG13 VAL A 454 -4.567 -4.907 -2.209 1.00 0.59 H new ATOM 0 HG21 VAL A 454 -5.758 -4.944 0.610 1.00 0.39 H new ATOM 0 HG22 VAL A 454 -6.392 -3.926 -0.705 1.00 0.39 H new ATOM 0 HG23 VAL A 454 -7.476 -5.042 0.159 1.00 0.39 H new ATOM 383 N THR A 455 -6.533 -5.974 -4.716 1.00 0.32 N ATOM 384 CA THR A 455 -6.031 -6.580 -5.931 1.00 0.28 C ATOM 385 C THR A 455 -5.021 -5.705 -6.637 1.00 0.26 C ATOM 386 O THR A 455 -4.897 -4.513 -6.362 1.00 0.31 O ATOM 387 CB THR A 455 -7.186 -6.890 -6.866 1.00 0.31 C ATOM 388 OG1 THR A 455 -8.010 -5.751 -7.043 1.00 0.31 O ATOM 389 CG2 THR A 455 -8.046 -8.008 -6.335 1.00 0.38 C ATOM 0 H THR A 455 -6.834 -5.004 -4.815 1.00 0.32 H new ATOM 0 HA THR A 455 -5.521 -7.501 -5.648 1.00 0.28 H new ATOM 0 HB THR A 455 -6.745 -7.190 -7.817 1.00 0.31 H new ATOM 0 HG1 THR A 455 -8.747 -5.972 -7.650 1.00 0.31 H new ATOM 0 HG21 THR A 455 -8.862 -8.201 -7.031 1.00 0.38 H new ATOM 0 HG22 THR A 455 -7.443 -8.909 -6.223 1.00 0.38 H new ATOM 0 HG23 THR A 455 -8.456 -7.723 -5.366 1.00 0.38 H new ATOM 397 N GLU A 456 -4.315 -6.322 -7.566 1.00 0.27 N ATOM 398 CA GLU A 456 -3.315 -5.643 -8.355 1.00 0.29 C ATOM 399 C GLU A 456 -3.939 -4.505 -9.142 1.00 0.31 C ATOM 400 O GLU A 456 -3.482 -3.365 -9.082 1.00 0.36 O ATOM 401 CB GLU A 456 -2.679 -6.644 -9.307 1.00 0.32 C ATOM 402 CG GLU A 456 -1.449 -7.328 -8.733 1.00 0.35 C ATOM 403 CD GLU A 456 -0.728 -8.181 -9.758 1.00 0.53 C ATOM 404 OE1 GLU A 456 -0.487 -7.687 -10.879 1.00 1.25 O ATOM 405 OE2 GLU A 456 -0.403 -9.345 -9.439 1.00 1.19 O ATOM 0 H GLU A 456 -4.422 -7.311 -7.792 1.00 0.27 H new ATOM 0 HA GLU A 456 -2.557 -5.224 -7.694 1.00 0.29 H new ATOM 0 HB2 GLU A 456 -3.417 -7.402 -9.571 1.00 0.32 H new ATOM 0 HB3 GLU A 456 -2.404 -6.132 -10.229 1.00 0.32 H new ATOM 0 HG2 GLU A 456 -0.764 -6.573 -8.347 1.00 0.35 H new ATOM 0 HG3 GLU A 456 -1.744 -7.952 -7.889 1.00 0.35 H new ATOM 412 N ASP A 457 -4.982 -4.838 -9.886 1.00 0.30 N ATOM 413 CA ASP A 457 -5.688 -3.863 -10.714 1.00 0.34 C ATOM 414 C ASP A 457 -6.278 -2.724 -9.886 1.00 0.31 C ATOM 415 O ASP A 457 -6.435 -1.606 -10.376 1.00 0.34 O ATOM 416 CB ASP A 457 -6.792 -4.553 -11.512 1.00 0.37 C ATOM 417 CG ASP A 457 -6.573 -4.455 -13.010 1.00 0.44 C ATOM 418 OD1 ASP A 457 -5.592 -5.048 -13.506 1.00 1.04 O ATOM 419 OD2 ASP A 457 -7.382 -3.786 -13.686 1.00 1.29 O ATOM 0 H ASP A 457 -5.363 -5.783 -9.936 1.00 0.30 H new ATOM 0 HA ASP A 457 -4.958 -3.428 -11.397 1.00 0.34 H new ATOM 0 HB2 ASP A 457 -6.843 -5.603 -11.223 1.00 0.37 H new ATOM 0 HB3 ASP A 457 -7.753 -4.106 -11.258 1.00 0.37 H new ATOM 424 N ALA A 458 -6.613 -3.014 -8.638 1.00 0.28 N ATOM 425 CA ALA A 458 -7.198 -2.013 -7.751 1.00 0.27 C ATOM 426 C ALA A 458 -6.176 -0.967 -7.330 1.00 0.25 C ATOM 427 O ALA A 458 -6.504 0.210 -7.200 1.00 0.38 O ATOM 428 CB ALA A 458 -7.800 -2.676 -6.520 1.00 0.28 C ATOM 0 H ALA A 458 -6.491 -3.934 -8.214 1.00 0.28 H new ATOM 0 HA ALA A 458 -7.987 -1.507 -8.308 1.00 0.27 H new ATOM 0 HB1 ALA A 458 -8.231 -1.914 -5.871 1.00 0.28 H new ATOM 0 HB2 ALA A 458 -8.579 -3.374 -6.827 1.00 0.28 H new ATOM 0 HB3 ALA A 458 -7.022 -3.215 -5.980 1.00 0.28 H new ATOM 434 N VAL A 459 -4.943 -1.395 -7.101 1.00 0.25 N ATOM 435 CA VAL A 459 -3.902 -0.475 -6.681 1.00 0.23 C ATOM 436 C VAL A 459 -3.460 0.430 -7.825 1.00 0.26 C ATOM 437 O VAL A 459 -3.099 1.585 -7.607 1.00 0.28 O ATOM 438 CB VAL A 459 -2.684 -1.215 -6.103 1.00 0.22 C ATOM 439 CG1 VAL A 459 -1.700 -0.223 -5.504 1.00 0.22 C ATOM 440 CG2 VAL A 459 -3.124 -2.231 -5.059 1.00 0.25 C ATOM 0 H VAL A 459 -4.643 -2.365 -7.198 1.00 0.25 H new ATOM 0 HA VAL A 459 -4.334 0.143 -5.894 1.00 0.23 H new ATOM 0 HB VAL A 459 -2.186 -1.750 -6.912 1.00 0.22 H new ATOM 0 HG11 VAL A 459 -0.843 -0.761 -5.099 1.00 0.22 H new ATOM 0 HG12 VAL A 459 -1.363 0.467 -6.277 1.00 0.22 H new ATOM 0 HG13 VAL A 459 -2.188 0.337 -4.706 1.00 0.22 H new ATOM 0 HG21 VAL A 459 -2.249 -2.745 -4.661 1.00 0.25 H new ATOM 0 HG22 VAL A 459 -3.644 -1.719 -4.249 1.00 0.25 H new ATOM 0 HG23 VAL A 459 -3.794 -2.958 -5.518 1.00 0.25 H new ATOM 450 N ARG A 460 -3.506 -0.094 -9.043 1.00 0.29 N ATOM 451 CA ARG A 460 -3.121 0.680 -10.224 1.00 0.33 C ATOM 452 C ARG A 460 -3.973 1.939 -10.336 1.00 0.36 C ATOM 453 O ARG A 460 -3.474 3.007 -10.687 1.00 0.40 O ATOM 454 CB ARG A 460 -3.273 -0.155 -11.500 1.00 0.38 C ATOM 455 CG ARG A 460 -2.729 -1.571 -11.389 1.00 0.40 C ATOM 456 CD ARG A 460 -1.297 -1.591 -10.874 1.00 0.39 C ATOM 457 NE ARG A 460 -0.361 -2.085 -11.882 1.00 0.43 N ATOM 458 CZ ARG A 460 -0.319 -3.348 -12.299 1.00 1.20 C ATOM 459 NH1 ARG A 460 -1.157 -4.248 -11.799 1.00 2.26 N ATOM 460 NH2 ARG A 460 0.563 -3.713 -13.219 1.00 1.18 N ATOM 0 H ARG A 460 -3.805 -1.049 -9.242 1.00 0.29 H new ATOM 0 HA ARG A 460 -2.074 0.962 -10.111 1.00 0.33 H new ATOM 0 HB2 ARG A 460 -4.329 -0.204 -11.765 1.00 0.38 H new ATOM 0 HB3 ARG A 460 -2.763 0.355 -12.317 1.00 0.38 H new ATOM 0 HG2 ARG A 460 -3.363 -2.152 -10.720 1.00 0.40 H new ATOM 0 HG3 ARG A 460 -2.770 -2.053 -12.366 1.00 0.40 H new ATOM 0 HD2 ARG A 460 -1.006 -0.585 -10.571 1.00 0.39 H new ATOM 0 HD3 ARG A 460 -1.240 -2.221 -9.986 1.00 0.39 H new ATOM 0 HE ARG A 460 0.299 -1.423 -12.290 1.00 0.43 H new ATOM 0 HH11 ARG A 460 -1.838 -3.973 -11.091 1.00 2.26 H new ATOM 0 HH12 ARG A 460 -1.120 -5.215 -12.123 1.00 2.26 H new ATOM 0 HH21 ARG A 460 1.209 -3.026 -13.607 1.00 1.18 H new ATOM 0 HH22 ARG A 460 0.595 -4.681 -13.539 1.00 1.18 H new ATOM 474 N ARG A 461 -5.260 1.806 -10.028 1.00 0.37 N ATOM 475 CA ARG A 461 -6.184 2.927 -10.088 1.00 0.41 C ATOM 476 C ARG A 461 -5.839 3.961 -9.020 1.00 0.37 C ATOM 477 O ARG A 461 -6.070 5.156 -9.203 1.00 0.42 O ATOM 478 CB ARG A 461 -7.623 2.415 -9.935 1.00 0.44 C ATOM 479 CG ARG A 461 -8.160 2.501 -8.523 1.00 0.48 C ATOM 480 CD ARG A 461 -9.629 2.122 -8.456 1.00 0.55 C ATOM 481 NE ARG A 461 -9.855 0.954 -7.609 1.00 1.14 N ATOM 482 CZ ARG A 461 -11.038 0.633 -7.088 1.00 1.60 C ATOM 483 NH1 ARG A 461 -12.102 1.390 -7.326 1.00 1.70 N ATOM 484 NH2 ARG A 461 -11.157 -0.447 -6.328 1.00 2.54 N ATOM 0 H ARG A 461 -5.685 0.927 -9.733 1.00 0.37 H new ATOM 0 HA ARG A 461 -6.097 3.419 -11.057 1.00 0.41 H new ATOM 0 HB2 ARG A 461 -8.274 2.988 -10.596 1.00 0.44 H new ATOM 0 HB3 ARG A 461 -7.666 1.378 -10.266 1.00 0.44 H new ATOM 0 HG2 ARG A 461 -7.584 1.841 -7.874 1.00 0.48 H new ATOM 0 HG3 ARG A 461 -8.028 3.515 -8.145 1.00 0.48 H new ATOM 0 HD2 ARG A 461 -10.204 2.965 -8.072 1.00 0.55 H new ATOM 0 HD3 ARG A 461 -9.997 1.917 -9.461 1.00 0.55 H new ATOM 0 HE ARG A 461 -9.060 0.348 -7.404 1.00 1.14 H new ATOM 0 HH11 ARG A 461 -12.016 2.222 -7.910 1.00 1.70 H new ATOM 0 HH12 ARG A 461 -13.006 1.140 -6.925 1.00 1.70 H new ATOM 0 HH21 ARG A 461 -10.342 -1.032 -6.142 1.00 2.54 H new ATOM 0 HH22 ARG A 461 -12.063 -0.693 -5.929 1.00 2.54 H new ATOM 498 N TYR A 462 -5.272 3.494 -7.912 1.00 0.31 N ATOM 499 CA TYR A 462 -4.881 4.383 -6.828 1.00 0.29 C ATOM 500 C TYR A 462 -3.703 5.248 -7.255 1.00 0.29 C ATOM 501 O TYR A 462 -3.637 6.432 -6.931 1.00 0.34 O ATOM 502 CB TYR A 462 -4.501 3.580 -5.579 1.00 0.28 C ATOM 503 CG TYR A 462 -5.548 2.579 -5.134 1.00 0.32 C ATOM 504 CD1 TYR A 462 -6.832 2.588 -5.669 1.00 1.22 C ATOM 505 CD2 TYR A 462 -5.248 1.621 -4.171 1.00 1.23 C ATOM 506 CE1 TYR A 462 -7.783 1.674 -5.259 1.00 1.26 C ATOM 507 CE2 TYR A 462 -6.194 0.704 -3.759 1.00 1.27 C ATOM 508 CZ TYR A 462 -7.459 0.734 -4.305 1.00 0.54 C ATOM 509 OH TYR A 462 -8.404 -0.179 -3.895 1.00 0.67 O ATOM 0 H TYR A 462 -5.074 2.508 -7.743 1.00 0.31 H new ATOM 0 HA TYR A 462 -5.731 5.023 -6.591 1.00 0.29 H new ATOM 0 HB2 TYR A 462 -3.569 3.050 -5.773 1.00 0.28 H new ATOM 0 HB3 TYR A 462 -4.309 4.274 -4.761 1.00 0.28 H new ATOM 0 HD1 TYR A 462 -7.090 3.322 -6.418 1.00 1.22 H new ATOM 0 HD2 TYR A 462 -4.259 1.594 -3.739 1.00 1.23 H new ATOM 0 HE1 TYR A 462 -8.776 1.696 -5.684 1.00 1.26 H new ATOM 0 HE2 TYR A 462 -5.944 -0.034 -3.012 1.00 1.27 H new ATOM 0 HH TYR A 462 -8.065 -0.676 -3.121 1.00 0.67 H new ATOM 519 N LEU A 463 -2.774 4.638 -7.981 1.00 0.27 N ATOM 520 CA LEU A 463 -1.587 5.322 -8.456 1.00 0.29 C ATOM 521 C LEU A 463 -1.918 6.340 -9.536 1.00 0.33 C ATOM 522 O LEU A 463 -1.714 7.540 -9.356 1.00 0.36 O ATOM 523 CB LEU A 463 -0.602 4.301 -9.012 1.00 0.30 C ATOM 524 CG LEU A 463 -0.551 2.952 -8.293 1.00 0.31 C ATOM 525 CD1 LEU A 463 0.725 2.214 -8.664 1.00 0.39 C ATOM 526 CD2 LEU A 463 -0.653 3.128 -6.783 1.00 0.30 C ATOM 0 H LEU A 463 -2.826 3.657 -8.254 1.00 0.27 H new ATOM 0 HA LEU A 463 -1.147 5.855 -7.613 1.00 0.29 H new ATOM 0 HB2 LEU A 463 -0.848 4.122 -10.059 1.00 0.30 H new ATOM 0 HB3 LEU A 463 0.396 4.740 -8.989 1.00 0.30 H new ATOM 0 HG LEU A 463 -1.407 2.359 -8.614 1.00 0.31 H new ATOM 0 HD11 LEU A 463 0.754 1.254 -8.148 1.00 0.39 H new ATOM 0 HD12 LEU A 463 0.749 2.048 -9.741 1.00 0.39 H new ATOM 0 HD13 LEU A 463 1.589 2.810 -8.370 1.00 0.39 H new ATOM 0 HD21 LEU A 463 -0.614 2.152 -6.299 1.00 0.30 H new ATOM 0 HD22 LEU A 463 0.177 3.741 -6.431 1.00 0.30 H new ATOM 0 HD23 LEU A 463 -1.595 3.618 -6.537 1.00 0.30 H new ATOM 538 N THR A 464 -2.425 5.851 -10.665 1.00 0.34 N ATOM 539 CA THR A 464 -2.779 6.718 -11.783 1.00 0.39 C ATOM 540 C THR A 464 -3.595 7.912 -11.308 1.00 0.40 C ATOM 541 O THR A 464 -3.593 8.971 -11.936 1.00 0.45 O ATOM 542 CB THR A 464 -3.559 5.934 -12.841 1.00 0.40 C ATOM 543 OG1 THR A 464 -4.020 4.702 -12.319 1.00 0.49 O ATOM 544 CG2 THR A 464 -2.746 5.632 -14.081 1.00 0.54 C ATOM 0 H THR A 464 -2.599 4.859 -10.829 1.00 0.34 H new ATOM 0 HA THR A 464 -1.856 7.089 -12.228 1.00 0.39 H new ATOM 0 HB THR A 464 -4.393 6.579 -13.119 1.00 0.40 H new ATOM 0 HG1 THR A 464 -3.254 4.123 -12.122 1.00 0.49 H new ATOM 0 HG21 THR A 464 -3.358 5.075 -14.790 1.00 0.54 H new ATOM 0 HG22 THR A 464 -2.420 6.566 -14.539 1.00 0.54 H new ATOM 0 HG23 THR A 464 -1.874 5.038 -13.808 1.00 0.54 H new ATOM 552 N ARG A 465 -4.292 7.731 -10.195 1.00 0.36 N ATOM 553 CA ARG A 465 -5.110 8.786 -9.635 1.00 0.38 C ATOM 554 C ARG A 465 -4.300 9.670 -8.687 1.00 0.40 C ATOM 555 O ARG A 465 -4.369 10.897 -8.760 1.00 0.45 O ATOM 556 CB ARG A 465 -6.313 8.194 -8.899 1.00 0.38 C ATOM 557 CG ARG A 465 -7.485 9.154 -8.779 1.00 1.08 C ATOM 558 CD ARG A 465 -8.780 8.418 -8.474 1.00 1.16 C ATOM 559 NE ARG A 465 -9.616 9.151 -7.526 1.00 1.88 N ATOM 560 CZ ARG A 465 -10.607 8.598 -6.829 1.00 2.40 C ATOM 561 NH1 ARG A 465 -10.887 7.309 -6.970 1.00 2.60 N ATOM 562 NH2 ARG A 465 -11.318 9.337 -5.989 1.00 3.27 N ATOM 0 H ARG A 465 -4.304 6.860 -9.664 1.00 0.36 H new ATOM 0 HA ARG A 465 -5.465 9.405 -10.458 1.00 0.38 H new ATOM 0 HB2 ARG A 465 -6.642 7.296 -9.421 1.00 0.38 H new ATOM 0 HB3 ARG A 465 -6.002 7.886 -7.901 1.00 0.38 H new ATOM 0 HG2 ARG A 465 -7.283 9.879 -7.991 1.00 1.08 H new ATOM 0 HG3 ARG A 465 -7.594 9.715 -9.707 1.00 1.08 H new ATOM 0 HD2 ARG A 465 -9.334 8.260 -9.399 1.00 1.16 H new ATOM 0 HD3 ARG A 465 -8.550 7.433 -8.068 1.00 1.16 H new ATOM 0 HE ARG A 465 -9.430 10.145 -7.390 1.00 1.88 H new ATOM 0 HH11 ARG A 465 -10.342 6.736 -7.615 1.00 2.60 H new ATOM 0 HH12 ARG A 465 -11.647 6.891 -6.434 1.00 2.60 H new ATOM 0 HH21 ARG A 465 -11.106 10.328 -5.877 1.00 3.27 H new ATOM 0 HH22 ARG A 465 -12.077 8.914 -5.455 1.00 3.27 H new ATOM 576 N LYS A 466 -3.534 9.042 -7.794 1.00 0.41 N ATOM 577 CA LYS A 466 -2.719 9.778 -6.835 1.00 0.44 C ATOM 578 C LYS A 466 -1.761 8.839 -6.099 1.00 0.39 C ATOM 579 O LYS A 466 -2.160 7.770 -5.641 1.00 0.58 O ATOM 580 CB LYS A 466 -3.621 10.508 -5.846 1.00 0.48 C ATOM 581 CG LYS A 466 -2.903 11.063 -4.624 1.00 1.44 C ATOM 582 CD LYS A 466 -2.286 12.424 -4.908 1.00 2.31 C ATOM 583 CE LYS A 466 -0.926 12.571 -4.244 1.00 3.04 C ATOM 584 NZ LYS A 466 -0.909 13.680 -3.251 1.00 3.97 N ATOM 0 H LYS A 466 -3.463 8.027 -7.717 1.00 0.41 H new ATOM 0 HA LYS A 466 -2.119 10.510 -7.375 1.00 0.44 H new ATOM 0 HB2 LYS A 466 -4.116 11.329 -6.364 1.00 0.48 H new ATOM 0 HB3 LYS A 466 -4.402 9.824 -5.513 1.00 0.48 H new ATOM 0 HG2 LYS A 466 -3.606 11.147 -3.795 1.00 1.44 H new ATOM 0 HG3 LYS A 466 -2.124 10.368 -4.312 1.00 1.44 H new ATOM 0 HD2 LYS A 466 -2.183 12.560 -5.985 1.00 2.31 H new ATOM 0 HD3 LYS A 466 -2.953 13.208 -4.550 1.00 2.31 H new ATOM 0 HE2 LYS A 466 -0.661 11.637 -3.749 1.00 3.04 H new ATOM 0 HE3 LYS A 466 -0.168 12.754 -5.006 1.00 3.04 H new ATOM 0 HZ1 LYS A 466 0.047 14.085 -3.199 1.00 3.97 H new ATOM 0 HZ2 LYS A 466 -1.582 14.417 -3.542 1.00 3.97 H new ATOM 0 HZ3 LYS A 466 -1.181 13.313 -2.316 1.00 3.97 H new ATOM 598 N PRO A 467 -0.478 9.223 -5.971 1.00 0.26 N ATOM 599 CA PRO A 467 0.524 8.401 -5.288 1.00 0.23 C ATOM 600 C PRO A 467 0.107 8.026 -3.870 1.00 0.26 C ATOM 601 O PRO A 467 -0.716 8.702 -3.253 1.00 0.42 O ATOM 602 CB PRO A 467 1.788 9.273 -5.289 1.00 0.26 C ATOM 603 CG PRO A 467 1.312 10.650 -5.605 1.00 0.57 C ATOM 604 CD PRO A 467 0.101 10.476 -6.476 1.00 0.41 C ATOM 0 HA PRO A 467 0.670 7.444 -5.790 1.00 0.23 H new ATOM 0 HB2 PRO A 467 2.289 9.242 -4.321 1.00 0.26 H new ATOM 0 HB3 PRO A 467 2.506 8.925 -6.031 1.00 0.26 H new ATOM 0 HG2 PRO A 467 1.064 11.196 -4.695 1.00 0.57 H new ATOM 0 HG3 PRO A 467 2.084 11.222 -6.119 1.00 0.57 H new ATOM 0 HD2 PRO A 467 -0.592 11.311 -6.378 1.00 0.41 H new ATOM 0 HD3 PRO A 467 0.367 10.404 -7.531 1.00 0.41 H new ATOM 612 N MET A 468 0.671 6.930 -3.367 1.00 0.26 N ATOM 613 CA MET A 468 0.349 6.444 -2.028 1.00 0.32 C ATOM 614 C MET A 468 1.519 5.705 -1.396 1.00 0.29 C ATOM 615 O MET A 468 2.434 5.250 -2.082 1.00 0.39 O ATOM 616 CB MET A 468 -0.860 5.495 -2.073 1.00 0.41 C ATOM 617 CG MET A 468 -0.517 4.069 -2.491 1.00 0.72 C ATOM 618 SD MET A 468 0.487 3.995 -3.989 1.00 0.92 S ATOM 619 CE MET A 468 1.626 2.672 -3.584 1.00 0.51 C ATOM 0 H MET A 468 1.354 6.361 -3.868 1.00 0.26 H new ATOM 0 HA MET A 468 0.118 7.321 -1.424 1.00 0.32 H new ATOM 0 HB2 MET A 468 -1.326 5.471 -1.088 1.00 0.41 H new ATOM 0 HB3 MET A 468 -1.599 5.898 -2.766 1.00 0.41 H new ATOM 0 HG2 MET A 468 0.016 3.576 -1.678 1.00 0.72 H new ATOM 0 HG3 MET A 468 -1.440 3.511 -2.651 1.00 0.72 H new ATOM 0 HE1 MET A 468 2.505 2.740 -4.225 1.00 0.51 H new ATOM 0 HE2 MET A 468 1.930 2.760 -2.541 1.00 0.51 H new ATOM 0 HE3 MET A 468 1.137 1.710 -3.740 1.00 0.51 H new ATOM 629 N THR A 469 1.442 5.544 -0.082 1.00 0.27 N ATOM 630 CA THR A 469 2.447 4.807 0.664 1.00 0.26 C ATOM 631 C THR A 469 1.844 3.465 1.058 1.00 0.24 C ATOM 632 O THR A 469 0.621 3.325 1.084 1.00 0.33 O ATOM 633 CB THR A 469 2.881 5.575 1.915 1.00 0.32 C ATOM 634 OG1 THR A 469 1.954 5.385 2.970 1.00 0.61 O ATOM 635 CG2 THR A 469 3.018 7.063 1.692 1.00 0.48 C ATOM 0 H THR A 469 0.686 5.918 0.491 1.00 0.27 H new ATOM 0 HA THR A 469 3.333 4.666 0.045 1.00 0.26 H new ATOM 0 HB THR A 469 3.861 5.171 2.170 1.00 0.32 H new ATOM 0 HG1 THR A 469 2.251 5.883 3.760 1.00 0.61 H new ATOM 0 HG21 THR A 469 3.328 7.543 2.620 1.00 0.48 H new ATOM 0 HG22 THR A 469 3.765 7.248 0.920 1.00 0.48 H new ATOM 0 HG23 THR A 469 2.059 7.473 1.374 1.00 0.48 H new ATOM 643 N THR A 470 2.673 2.475 1.359 1.00 0.27 N ATOM 644 CA THR A 470 2.150 1.166 1.736 1.00 0.28 C ATOM 645 C THR A 470 1.154 1.287 2.875 1.00 0.32 C ATOM 646 O THR A 470 0.067 0.715 2.823 1.00 0.42 O ATOM 647 CB THR A 470 3.277 0.209 2.109 1.00 0.33 C ATOM 648 OG1 THR A 470 4.431 0.917 2.521 1.00 0.41 O ATOM 649 CG2 THR A 470 3.669 -0.694 0.964 1.00 0.62 C ATOM 0 H THR A 470 3.690 2.548 1.351 1.00 0.27 H new ATOM 0 HA THR A 470 1.631 0.755 0.870 1.00 0.28 H new ATOM 0 HB THR A 470 2.891 -0.400 2.927 1.00 0.33 H new ATOM 0 HG1 THR A 470 4.582 0.768 3.478 1.00 0.41 H new ATOM 0 HG21 THR A 470 4.475 -1.355 1.282 1.00 0.62 H new ATOM 0 HG22 THR A 470 2.809 -1.290 0.660 1.00 0.62 H new ATOM 0 HG23 THR A 470 4.007 -0.089 0.123 1.00 0.62 H new ATOM 657 N LYS A 471 1.525 2.049 3.886 1.00 0.31 N ATOM 658 CA LYS A 471 0.655 2.264 5.035 1.00 0.35 C ATOM 659 C LYS A 471 -0.657 2.897 4.592 1.00 0.33 C ATOM 660 O LYS A 471 -1.738 2.407 4.914 1.00 0.37 O ATOM 661 CB LYS A 471 1.339 3.163 6.069 1.00 0.40 C ATOM 662 CG LYS A 471 2.800 2.821 6.311 1.00 0.81 C ATOM 663 CD LYS A 471 3.723 3.731 5.519 1.00 0.43 C ATOM 664 CE LYS A 471 4.965 2.990 5.048 1.00 0.85 C ATOM 665 NZ LYS A 471 5.233 3.212 3.602 1.00 1.32 N ATOM 0 H LYS A 471 2.422 2.531 3.939 1.00 0.31 H new ATOM 0 HA LYS A 471 0.449 1.296 5.492 1.00 0.35 H new ATOM 0 HB2 LYS A 471 1.268 4.199 5.739 1.00 0.40 H new ATOM 0 HB3 LYS A 471 0.798 3.092 7.013 1.00 0.40 H new ATOM 0 HG2 LYS A 471 3.024 2.910 7.374 1.00 0.81 H new ATOM 0 HG3 LYS A 471 2.983 1.783 6.032 1.00 0.81 H new ATOM 0 HD2 LYS A 471 3.189 4.133 4.658 1.00 0.43 H new ATOM 0 HD3 LYS A 471 4.017 4.580 6.136 1.00 0.43 H new ATOM 0 HE2 LYS A 471 5.826 3.319 5.631 1.00 0.85 H new ATOM 0 HE3 LYS A 471 4.843 1.923 5.234 1.00 0.85 H new ATOM 0 HZ1 LYS A 471 6.243 3.056 3.408 1.00 1.32 H new ATOM 0 HZ2 LYS A 471 4.666 2.547 3.038 1.00 1.32 H new ATOM 0 HZ3 LYS A 471 4.978 4.188 3.347 1.00 1.32 H new ATOM 679 N ASP A 472 -0.548 3.990 3.849 1.00 0.30 N ATOM 680 CA ASP A 472 -1.721 4.702 3.356 1.00 0.30 C ATOM 681 C ASP A 472 -2.541 3.838 2.397 1.00 0.31 C ATOM 682 O ASP A 472 -3.763 3.966 2.331 1.00 0.36 O ATOM 683 CB ASP A 472 -1.300 5.997 2.660 1.00 0.29 C ATOM 684 CG ASP A 472 -2.486 6.806 2.172 1.00 0.33 C ATOM 685 OD1 ASP A 472 -3.110 6.401 1.169 1.00 1.14 O ATOM 686 OD2 ASP A 472 -2.792 7.845 2.794 1.00 1.12 O ATOM 0 H ASP A 472 0.342 4.404 3.574 1.00 0.30 H new ATOM 0 HA ASP A 472 -2.348 4.940 4.215 1.00 0.30 H new ATOM 0 HB2 ASP A 472 -0.711 6.602 3.350 1.00 0.29 H new ATOM 0 HB3 ASP A 472 -0.655 5.758 1.815 1.00 0.29 H new ATOM 691 N LEU A 473 -1.868 2.964 1.651 1.00 0.31 N ATOM 692 CA LEU A 473 -2.552 2.095 0.697 1.00 0.33 C ATOM 693 C LEU A 473 -3.355 1.015 1.408 1.00 0.33 C ATOM 694 O LEU A 473 -4.460 0.671 0.993 1.00 0.35 O ATOM 695 CB LEU A 473 -1.556 1.459 -0.262 1.00 0.39 C ATOM 696 CG LEU A 473 -2.050 1.331 -1.703 1.00 0.63 C ATOM 697 CD1 LEU A 473 -0.883 1.111 -2.650 1.00 0.85 C ATOM 698 CD2 LEU A 473 -3.054 0.194 -1.819 1.00 0.96 C ATOM 0 H LEU A 473 -0.856 2.839 1.688 1.00 0.31 H new ATOM 0 HA LEU A 473 -3.244 2.714 0.127 1.00 0.33 H new ATOM 0 HB2 LEU A 473 -0.640 2.050 -0.257 1.00 0.39 H new ATOM 0 HB3 LEU A 473 -1.298 0.467 0.109 1.00 0.39 H new ATOM 0 HG LEU A 473 -2.546 2.261 -1.982 1.00 0.63 H new ATOM 0 HD11 LEU A 473 -1.255 1.022 -3.671 1.00 0.85 H new ATOM 0 HD12 LEU A 473 -0.198 1.956 -2.585 1.00 0.85 H new ATOM 0 HD13 LEU A 473 -0.358 0.196 -2.374 1.00 0.85 H new ATOM 0 HD21 LEU A 473 -3.397 0.115 -2.851 1.00 0.96 H new ATOM 0 HD22 LEU A 473 -2.580 -0.741 -1.522 1.00 0.96 H new ATOM 0 HD23 LEU A 473 -3.905 0.393 -1.168 1.00 0.96 H new ATOM 710 N LEU A 474 -2.787 0.480 2.476 1.00 0.34 N ATOM 711 CA LEU A 474 -3.452 -0.568 3.246 1.00 0.39 C ATOM 712 C LEU A 474 -4.436 0.017 4.256 1.00 0.39 C ATOM 713 O LEU A 474 -5.548 -0.486 4.413 1.00 0.43 O ATOM 714 CB LEU A 474 -2.445 -1.462 3.973 1.00 0.46 C ATOM 715 CG LEU A 474 -1.386 -0.714 4.765 1.00 0.41 C ATOM 716 CD1 LEU A 474 -1.743 -0.682 6.244 1.00 0.55 C ATOM 717 CD2 LEU A 474 -0.017 -1.344 4.554 1.00 0.54 C ATOM 0 H LEU A 474 -1.870 0.750 2.832 1.00 0.34 H new ATOM 0 HA LEU A 474 -4.004 -1.176 2.529 1.00 0.39 H new ATOM 0 HB2 LEU A 474 -2.988 -2.121 4.651 1.00 0.46 H new ATOM 0 HB3 LEU A 474 -1.949 -2.098 3.240 1.00 0.46 H new ATOM 0 HG LEU A 474 -1.349 0.313 4.403 1.00 0.41 H new ATOM 0 HD11 LEU A 474 -0.972 -0.142 6.793 1.00 0.55 H new ATOM 0 HD12 LEU A 474 -2.701 -0.180 6.376 1.00 0.55 H new ATOM 0 HD13 LEU A 474 -1.812 -1.701 6.624 1.00 0.55 H new ATOM 0 HD21 LEU A 474 0.729 -0.795 5.129 1.00 0.54 H new ATOM 0 HD22 LEU A 474 -0.039 -2.382 4.886 1.00 0.54 H new ATOM 0 HD23 LEU A 474 0.241 -1.307 3.496 1.00 0.54 H new ATOM 729 N LYS A 475 -4.020 1.076 4.945 1.00 0.46 N ATOM 730 CA LYS A 475 -4.867 1.719 5.948 1.00 0.52 C ATOM 731 C LYS A 475 -6.241 2.066 5.375 1.00 0.46 C ATOM 732 O LYS A 475 -7.246 2.021 6.083 1.00 0.52 O ATOM 733 CB LYS A 475 -4.194 2.982 6.489 1.00 0.65 C ATOM 734 CG LYS A 475 -3.398 2.748 7.764 1.00 0.80 C ATOM 735 CD LYS A 475 -1.915 2.997 7.553 1.00 1.51 C ATOM 736 CE LYS A 475 -1.211 3.316 8.862 1.00 1.70 C ATOM 737 NZ LYS A 475 -1.367 4.746 9.244 1.00 2.53 N ATOM 0 H LYS A 475 -3.103 1.507 4.828 1.00 0.46 H new ATOM 0 HA LYS A 475 -5.006 1.011 6.765 1.00 0.52 H new ATOM 0 HB2 LYS A 475 -3.530 3.386 5.725 1.00 0.65 H new ATOM 0 HB3 LYS A 475 -4.957 3.737 6.680 1.00 0.65 H new ATOM 0 HG2 LYS A 475 -3.769 3.405 8.551 1.00 0.80 H new ATOM 0 HG3 LYS A 475 -3.550 1.724 8.106 1.00 0.80 H new ATOM 0 HD2 LYS A 475 -1.459 2.118 7.098 1.00 1.51 H new ATOM 0 HD3 LYS A 475 -1.780 3.823 6.855 1.00 1.51 H new ATOM 0 HE2 LYS A 475 -1.613 2.683 9.653 1.00 1.70 H new ATOM 0 HE3 LYS A 475 -0.151 3.078 8.771 1.00 1.70 H new ATOM 0 HZ1 LYS A 475 -0.872 4.921 10.142 1.00 2.53 H new ATOM 0 HZ2 LYS A 475 -0.961 5.350 8.501 1.00 2.53 H new ATOM 0 HZ3 LYS A 475 -2.377 4.967 9.356 1.00 2.53 H new ATOM 751 N LYS A 476 -6.275 2.417 4.094 1.00 0.46 N ATOM 752 CA LYS A 476 -7.524 2.777 3.434 1.00 0.52 C ATOM 753 C LYS A 476 -8.431 1.560 3.264 1.00 0.49 C ATOM 754 O LYS A 476 -9.646 1.653 3.440 1.00 0.61 O ATOM 755 CB LYS A 476 -7.244 3.413 2.073 1.00 0.63 C ATOM 756 CG LYS A 476 -6.383 2.549 1.169 1.00 0.64 C ATOM 757 CD LYS A 476 -6.868 2.585 -0.271 1.00 0.67 C ATOM 758 CE LYS A 476 -7.359 1.219 -0.723 1.00 1.17 C ATOM 759 NZ LYS A 476 -8.593 1.316 -1.549 1.00 2.02 N ATOM 0 H LYS A 476 -5.452 2.460 3.493 1.00 0.46 H new ATOM 0 HA LYS A 476 -8.038 3.500 4.067 1.00 0.52 H new ATOM 0 HB2 LYS A 476 -8.191 3.617 1.574 1.00 0.63 H new ATOM 0 HB3 LYS A 476 -6.750 4.373 2.224 1.00 0.63 H new ATOM 0 HG2 LYS A 476 -5.350 2.893 1.214 1.00 0.64 H new ATOM 0 HG3 LYS A 476 -6.393 1.521 1.531 1.00 0.64 H new ATOM 0 HD2 LYS A 476 -7.673 3.313 -0.368 1.00 0.67 H new ATOM 0 HD3 LYS A 476 -6.059 2.916 -0.921 1.00 0.67 H new ATOM 0 HE2 LYS A 476 -6.576 0.724 -1.298 1.00 1.17 H new ATOM 0 HE3 LYS A 476 -7.555 0.597 0.150 1.00 1.17 H new ATOM 0 HZ1 LYS A 476 -9.348 0.748 -1.114 1.00 2.02 H new ATOM 0 HZ2 LYS A 476 -8.896 2.309 -1.605 1.00 2.02 H new ATOM 0 HZ3 LYS A 476 -8.399 0.959 -2.506 1.00 2.02 H new ATOM 773 N PHE A 477 -7.836 0.418 2.927 1.00 0.43 N ATOM 774 CA PHE A 477 -8.590 -0.808 2.744 1.00 0.48 C ATOM 775 C PHE A 477 -9.186 -1.255 4.064 1.00 0.60 C ATOM 776 O PHE A 477 -10.401 -1.247 4.256 1.00 1.09 O ATOM 777 CB PHE A 477 -7.675 -1.900 2.196 1.00 0.45 C ATOM 778 CG PHE A 477 -7.545 -1.895 0.700 1.00 0.42 C ATOM 779 CD1 PHE A 477 -8.650 -2.099 -0.111 1.00 1.22 C ATOM 780 CD2 PHE A 477 -6.311 -1.693 0.107 1.00 1.21 C ATOM 781 CE1 PHE A 477 -8.524 -2.098 -1.487 1.00 1.25 C ATOM 782 CE2 PHE A 477 -6.179 -1.693 -1.266 1.00 1.21 C ATOM 783 CZ PHE A 477 -7.287 -1.896 -2.065 1.00 0.50 C ATOM 0 H PHE A 477 -6.832 0.322 2.776 1.00 0.43 H new ATOM 0 HA PHE A 477 -9.397 -0.624 2.035 1.00 0.48 H new ATOM 0 HB2 PHE A 477 -6.685 -1.785 2.637 1.00 0.45 H new ATOM 0 HB3 PHE A 477 -8.054 -2.871 2.514 1.00 0.45 H new ATOM 0 HD1 PHE A 477 -9.619 -2.260 0.337 1.00 1.22 H new ATOM 0 HD2 PHE A 477 -5.441 -1.533 0.727 1.00 1.21 H new ATOM 0 HE1 PHE A 477 -9.392 -2.255 -2.110 1.00 1.25 H new ATOM 0 HE2 PHE A 477 -5.210 -1.534 -1.716 1.00 1.21 H new ATOM 0 HZ PHE A 477 -7.186 -1.897 -3.140 1.00 0.50 H new ATOM 793 N GLN A 478 -8.302 -1.632 4.970 1.00 0.38 N ATOM 794 CA GLN A 478 -8.694 -2.083 6.302 1.00 0.45 C ATOM 795 C GLN A 478 -9.767 -3.170 6.235 1.00 0.97 C ATOM 796 O GLN A 478 -10.272 -3.498 5.162 1.00 1.86 O ATOM 797 CB GLN A 478 -9.199 -0.901 7.133 1.00 1.11 C ATOM 798 CG GLN A 478 -8.167 -0.361 8.110 1.00 1.51 C ATOM 799 CD GLN A 478 -8.787 0.113 9.410 1.00 1.85 C ATOM 800 OE1 GLN A 478 -9.924 -0.233 9.731 1.00 2.54 O ATOM 801 NE2 GLN A 478 -8.041 0.911 10.165 1.00 2.11 N ATOM 0 H GLN A 478 -7.295 -1.636 4.809 1.00 0.38 H new ATOM 0 HA GLN A 478 -7.812 -2.511 6.779 1.00 0.45 H new ATOM 0 HB2 GLN A 478 -9.506 -0.099 6.461 1.00 1.11 H new ATOM 0 HB3 GLN A 478 -10.086 -1.209 7.687 1.00 1.11 H new ATOM 0 HG2 GLN A 478 -7.433 -1.138 8.324 1.00 1.51 H new ATOM 0 HG3 GLN A 478 -7.630 0.466 7.645 1.00 1.51 H new ATOM 0 HE21 GLN A 478 -7.103 1.172 9.860 1.00 2.11 H new ATOM 0 HE22 GLN A 478 -8.405 1.263 11.050 1.00 2.11 H new ATOM 810 N THR A 479 -10.110 -3.722 7.396 1.00 0.84 N ATOM 811 CA THR A 479 -11.124 -4.768 7.482 1.00 1.51 C ATOM 812 C THR A 479 -12.535 -4.196 7.320 1.00 1.38 C ATOM 813 O THR A 479 -13.520 -4.932 7.379 1.00 1.96 O ATOM 814 CB THR A 479 -11.016 -5.494 8.824 1.00 2.40 C ATOM 815 OG1 THR A 479 -9.667 -5.809 9.118 1.00 2.86 O ATOM 816 CG2 THR A 479 -11.810 -6.781 8.877 1.00 3.08 C ATOM 0 H THR A 479 -9.699 -3.461 8.292 1.00 0.84 H new ATOM 0 HA THR A 479 -10.946 -5.471 6.668 1.00 1.51 H new ATOM 0 HB THR A 479 -11.429 -4.802 9.558 1.00 2.40 H new ATOM 0 HG1 THR A 479 -9.178 -5.964 8.283 1.00 2.86 H new ATOM 0 HG21 THR A 479 -11.688 -7.243 9.857 1.00 3.08 H new ATOM 0 HG22 THR A 479 -12.865 -6.565 8.706 1.00 3.08 H new ATOM 0 HG23 THR A 479 -11.450 -7.463 8.107 1.00 3.08 H new ATOM 824 N LYS A 480 -12.628 -2.880 7.124 1.00 1.27 N ATOM 825 CA LYS A 480 -13.916 -2.210 6.963 1.00 1.87 C ATOM 826 C LYS A 480 -14.841 -2.971 6.013 1.00 1.57 C ATOM 827 O LYS A 480 -16.045 -3.058 6.250 1.00 1.95 O ATOM 828 CB LYS A 480 -13.706 -0.783 6.450 1.00 2.52 C ATOM 829 CG LYS A 480 -13.816 0.275 7.536 1.00 3.45 C ATOM 830 CD LYS A 480 -15.257 0.716 7.741 1.00 3.94 C ATOM 831 CE LYS A 480 -15.364 2.226 7.880 1.00 4.74 C ATOM 832 NZ LYS A 480 -16.647 2.636 8.515 1.00 5.14 N ATOM 0 H LYS A 480 -11.822 -2.256 7.073 1.00 1.27 H new ATOM 0 HA LYS A 480 -14.395 -2.182 7.942 1.00 1.87 H new ATOM 0 HB2 LYS A 480 -12.723 -0.714 5.985 1.00 2.52 H new ATOM 0 HB3 LYS A 480 -14.441 -0.573 5.673 1.00 2.52 H new ATOM 0 HG2 LYS A 480 -13.419 -0.119 8.471 1.00 3.45 H new ATOM 0 HG3 LYS A 480 -13.205 1.137 7.269 1.00 3.45 H new ATOM 0 HD2 LYS A 480 -15.864 0.383 6.899 1.00 3.94 H new ATOM 0 HD3 LYS A 480 -15.661 0.238 8.633 1.00 3.94 H new ATOM 0 HE2 LYS A 480 -14.530 2.596 8.476 1.00 4.74 H new ATOM 0 HE3 LYS A 480 -15.282 2.688 6.896 1.00 4.74 H new ATOM 0 HZ1 LYS A 480 -16.681 3.673 8.592 1.00 5.14 H new ATOM 0 HZ2 LYS A 480 -17.443 2.306 7.933 1.00 5.14 H new ATOM 0 HZ3 LYS A 480 -16.714 2.216 9.464 1.00 5.14 H new ATOM 846 N LYS A 481 -14.280 -3.515 4.936 1.00 1.04 N ATOM 847 CA LYS A 481 -15.081 -4.254 3.965 1.00 0.97 C ATOM 848 C LYS A 481 -14.367 -5.504 3.476 1.00 0.82 C ATOM 849 O LYS A 481 -14.955 -6.585 3.430 1.00 0.88 O ATOM 850 CB LYS A 481 -15.436 -3.358 2.777 1.00 1.30 C ATOM 851 CG LYS A 481 -16.514 -2.331 3.089 1.00 1.80 C ATOM 852 CD LYS A 481 -17.838 -2.690 2.432 1.00 2.06 C ATOM 853 CE LYS A 481 -18.392 -1.528 1.623 1.00 2.66 C ATOM 854 NZ LYS A 481 -19.820 -1.738 1.255 1.00 3.21 N ATOM 0 H LYS A 481 -13.286 -3.459 4.715 1.00 1.04 H new ATOM 0 HA LYS A 481 -15.995 -4.568 4.469 1.00 0.97 H new ATOM 0 HB2 LYS A 481 -14.538 -2.839 2.443 1.00 1.30 H new ATOM 0 HB3 LYS A 481 -15.770 -3.983 1.949 1.00 1.30 H new ATOM 0 HG2 LYS A 481 -16.650 -2.262 4.168 1.00 1.80 H new ATOM 0 HG3 LYS A 481 -16.191 -1.348 2.745 1.00 1.80 H new ATOM 0 HD2 LYS A 481 -17.700 -3.554 1.782 1.00 2.06 H new ATOM 0 HD3 LYS A 481 -18.559 -2.978 3.197 1.00 2.06 H new ATOM 0 HE2 LYS A 481 -18.297 -0.607 2.198 1.00 2.66 H new ATOM 0 HE3 LYS A 481 -17.799 -1.401 0.718 1.00 2.66 H new ATOM 0 HZ1 LYS A 481 -20.160 -0.924 0.704 1.00 3.21 H new ATOM 0 HZ2 LYS A 481 -19.908 -2.603 0.684 1.00 3.21 H new ATOM 0 HZ3 LYS A 481 -20.391 -1.834 2.119 1.00 3.21 H new ATOM 868 N THR A 482 -13.100 -5.361 3.115 1.00 0.73 N ATOM 869 CA THR A 482 -12.316 -6.492 2.634 1.00 0.67 C ATOM 870 C THR A 482 -12.357 -7.656 3.624 1.00 0.65 C ATOM 871 O THR A 482 -11.997 -8.782 3.280 1.00 0.71 O ATOM 872 CB THR A 482 -10.864 -6.073 2.393 1.00 0.67 C ATOM 873 OG1 THR A 482 -10.165 -5.961 3.619 1.00 0.89 O ATOM 874 CG2 THR A 482 -10.730 -4.752 1.667 1.00 0.74 C ATOM 0 H THR A 482 -12.593 -4.476 3.145 1.00 0.73 H new ATOM 0 HA THR A 482 -12.757 -6.822 1.693 1.00 0.67 H new ATOM 0 HB THR A 482 -10.441 -6.857 1.765 1.00 0.67 H new ATOM 0 HG1 THR A 482 -10.311 -5.069 3.999 1.00 0.89 H new ATOM 0 HG21 THR A 482 -9.674 -4.517 1.530 1.00 0.74 H new ATOM 0 HG22 THR A 482 -11.215 -4.821 0.694 1.00 0.74 H new ATOM 0 HG23 THR A 482 -11.204 -3.965 2.254 1.00 0.74 H new ATOM 882 N GLY A 483 -12.778 -7.380 4.859 1.00 0.65 N ATOM 883 CA GLY A 483 -12.828 -8.420 5.865 1.00 0.72 C ATOM 884 C GLY A 483 -11.453 -8.977 6.144 1.00 0.66 C ATOM 885 O GLY A 483 -11.310 -10.080 6.671 1.00 0.76 O ATOM 0 H GLY A 483 -13.083 -6.459 5.175 1.00 0.65 H new ATOM 0 HA2 GLY A 483 -13.254 -8.020 6.785 1.00 0.72 H new ATOM 0 HA3 GLY A 483 -13.487 -9.221 5.531 1.00 0.72 H new ATOM 889 N LEU A 484 -10.438 -8.205 5.776 1.00 0.55 N ATOM 890 CA LEU A 484 -9.061 -8.613 5.972 1.00 0.51 C ATOM 891 C LEU A 484 -8.428 -7.873 7.143 1.00 0.49 C ATOM 892 O LEU A 484 -8.399 -6.643 7.173 1.00 0.48 O ATOM 893 CB LEU A 484 -8.248 -8.378 4.697 1.00 0.52 C ATOM 894 CG LEU A 484 -7.965 -9.636 3.875 1.00 0.59 C ATOM 895 CD1 LEU A 484 -9.225 -10.098 3.160 1.00 0.98 C ATOM 896 CD2 LEU A 484 -6.842 -9.385 2.879 1.00 0.80 C ATOM 0 H LEU A 484 -10.548 -7.290 5.339 1.00 0.55 H new ATOM 0 HA LEU A 484 -9.057 -9.678 6.203 1.00 0.51 H new ATOM 0 HB2 LEU A 484 -8.781 -7.664 4.070 1.00 0.52 H new ATOM 0 HB3 LEU A 484 -7.298 -7.917 4.968 1.00 0.52 H new ATOM 0 HG LEU A 484 -7.646 -10.427 4.554 1.00 0.59 H new ATOM 0 HD11 LEU A 484 -9.006 -10.994 2.580 1.00 0.98 H new ATOM 0 HD12 LEU A 484 -9.999 -10.321 3.894 1.00 0.98 H new ATOM 0 HD13 LEU A 484 -9.574 -9.310 2.493 1.00 0.98 H new ATOM 0 HD21 LEU A 484 -6.656 -10.292 2.304 1.00 0.80 H new ATOM 0 HD22 LEU A 484 -7.129 -8.579 2.203 1.00 0.80 H new ATOM 0 HD23 LEU A 484 -5.936 -9.103 3.416 1.00 0.80 H new ATOM 908 N SER A 485 -7.920 -8.638 8.102 1.00 0.51 N ATOM 909 CA SER A 485 -7.276 -8.079 9.289 1.00 0.53 C ATOM 910 C SER A 485 -6.365 -6.907 8.937 1.00 0.49 C ATOM 911 O SER A 485 -5.902 -6.786 7.803 1.00 0.43 O ATOM 912 CB SER A 485 -6.457 -9.154 9.993 1.00 0.57 C ATOM 913 OG SER A 485 -6.771 -9.214 11.374 1.00 0.66 O ATOM 0 H SER A 485 -7.941 -9.658 8.081 1.00 0.51 H new ATOM 0 HA SER A 485 -8.064 -7.716 9.949 1.00 0.53 H new ATOM 0 HB2 SER A 485 -6.649 -10.122 9.531 1.00 0.57 H new ATOM 0 HB3 SER A 485 -5.394 -8.946 9.867 1.00 0.57 H new ATOM 0 HG SER A 485 -6.233 -9.913 11.802 1.00 0.66 H new ATOM 919 N SER A 486 -6.097 -6.058 9.922 1.00 0.55 N ATOM 920 CA SER A 486 -5.223 -4.911 9.717 1.00 0.55 C ATOM 921 C SER A 486 -3.821 -5.379 9.344 1.00 0.49 C ATOM 922 O SER A 486 -3.061 -4.653 8.705 1.00 0.47 O ATOM 923 CB SER A 486 -5.171 -4.045 10.977 1.00 0.65 C ATOM 924 OG SER A 486 -6.328 -4.232 11.774 1.00 1.57 O ATOM 0 H SER A 486 -6.471 -6.142 10.867 1.00 0.55 H new ATOM 0 HA SER A 486 -5.624 -4.311 8.900 1.00 0.55 H new ATOM 0 HB2 SER A 486 -4.282 -4.294 11.557 1.00 0.65 H new ATOM 0 HB3 SER A 486 -5.085 -2.995 10.697 1.00 0.65 H new ATOM 0 HG SER A 486 -6.269 -3.669 12.574 1.00 1.57 H new ATOM 930 N GLU A 487 -3.494 -6.604 9.746 1.00 0.49 N ATOM 931 CA GLU A 487 -2.196 -7.188 9.457 1.00 0.45 C ATOM 932 C GLU A 487 -2.236 -7.954 8.145 1.00 0.40 C ATOM 933 O GLU A 487 -1.344 -7.827 7.306 1.00 0.39 O ATOM 934 CB GLU A 487 -1.759 -8.117 10.593 1.00 0.51 C ATOM 935 CG GLU A 487 -2.162 -7.628 11.975 1.00 0.80 C ATOM 936 CD GLU A 487 -1.518 -8.429 13.090 1.00 0.86 C ATOM 937 OE1 GLU A 487 -0.529 -9.141 12.815 1.00 1.53 O ATOM 938 OE2 GLU A 487 -2.003 -8.345 14.238 1.00 1.28 O ATOM 0 H GLU A 487 -4.118 -7.212 10.276 1.00 0.49 H new ATOM 0 HA GLU A 487 -1.471 -6.379 9.368 1.00 0.45 H new ATOM 0 HB2 GLU A 487 -2.189 -9.105 10.428 1.00 0.51 H new ATOM 0 HB3 GLU A 487 -0.676 -8.231 10.560 1.00 0.51 H new ATOM 0 HG2 GLU A 487 -1.885 -6.579 12.080 1.00 0.80 H new ATOM 0 HG3 GLU A 487 -3.246 -7.683 12.073 1.00 0.80 H new ATOM 945 N GLN A 488 -3.286 -8.742 7.975 1.00 0.39 N ATOM 946 CA GLN A 488 -3.464 -9.529 6.764 1.00 0.37 C ATOM 947 C GLN A 488 -3.619 -8.609 5.562 1.00 0.33 C ATOM 948 O GLN A 488 -3.028 -8.844 4.508 1.00 0.31 O ATOM 949 CB GLN A 488 -4.680 -10.448 6.887 1.00 0.40 C ATOM 950 CG GLN A 488 -4.316 -11.900 7.146 1.00 0.42 C ATOM 951 CD GLN A 488 -5.514 -12.740 7.544 1.00 0.54 C ATOM 952 OE1 GLN A 488 -5.437 -13.556 8.462 1.00 1.14 O ATOM 953 NE2 GLN A 488 -6.630 -12.543 6.852 1.00 0.84 N ATOM 0 H GLN A 488 -4.031 -8.854 8.663 1.00 0.39 H new ATOM 0 HA GLN A 488 -2.580 -10.151 6.624 1.00 0.37 H new ATOM 0 HB2 GLN A 488 -5.316 -10.091 7.697 1.00 0.40 H new ATOM 0 HB3 GLN A 488 -5.267 -10.386 5.971 1.00 0.40 H new ATOM 0 HG2 GLN A 488 -3.863 -12.322 6.249 1.00 0.42 H new ATOM 0 HG3 GLN A 488 -3.566 -11.947 7.935 1.00 0.42 H new ATOM 0 HE21 GLN A 488 -6.648 -11.856 6.099 1.00 0.84 H new ATOM 0 HE22 GLN A 488 -7.469 -13.079 7.074 1.00 0.84 H new ATOM 962 N THR A 489 -4.402 -7.543 5.732 1.00 0.33 N ATOM 963 CA THR A 489 -4.609 -6.575 4.660 1.00 0.33 C ATOM 964 C THR A 489 -3.263 -6.142 4.090 1.00 0.31 C ATOM 965 O THR A 489 -3.153 -5.795 2.916 1.00 0.34 O ATOM 966 CB THR A 489 -5.377 -5.356 5.174 1.00 0.37 C ATOM 967 OG1 THR A 489 -6.644 -5.738 5.681 1.00 0.40 O ATOM 968 CG2 THR A 489 -5.607 -4.303 4.111 1.00 0.41 C ATOM 0 H THR A 489 -4.899 -7.331 6.597 1.00 0.33 H new ATOM 0 HA THR A 489 -5.199 -7.046 3.874 1.00 0.33 H new ATOM 0 HB THR A 489 -4.751 -4.929 5.957 1.00 0.37 H new ATOM 0 HG1 THR A 489 -6.526 -6.219 6.527 1.00 0.40 H new ATOM 0 HG21 THR A 489 -6.157 -3.466 4.541 1.00 0.41 H new ATOM 0 HG22 THR A 489 -4.647 -3.951 3.734 1.00 0.41 H new ATOM 0 HG23 THR A 489 -6.183 -4.733 3.292 1.00 0.41 H new ATOM 976 N VAL A 490 -2.240 -6.186 4.938 1.00 0.31 N ATOM 977 CA VAL A 490 -0.887 -5.822 4.532 1.00 0.30 C ATOM 978 C VAL A 490 -0.197 -7.017 3.893 1.00 0.28 C ATOM 979 O VAL A 490 0.494 -6.891 2.882 1.00 0.29 O ATOM 980 CB VAL A 490 -0.053 -5.347 5.732 1.00 0.32 C ATOM 981 CG1 VAL A 490 1.209 -4.640 5.267 1.00 0.35 C ATOM 982 CG2 VAL A 490 -0.883 -4.443 6.626 1.00 0.34 C ATOM 0 H VAL A 490 -2.323 -6.471 5.914 1.00 0.31 H new ATOM 0 HA VAL A 490 -0.965 -5.006 3.814 1.00 0.30 H new ATOM 0 HB VAL A 490 0.248 -6.220 6.311 1.00 0.32 H new ATOM 0 HG11 VAL A 490 1.783 -4.313 6.134 1.00 0.35 H new ATOM 0 HG12 VAL A 490 1.811 -5.325 4.671 1.00 0.35 H new ATOM 0 HG13 VAL A 490 0.939 -3.774 4.663 1.00 0.35 H new ATOM 0 HG21 VAL A 490 -0.279 -4.114 7.472 1.00 0.34 H new ATOM 0 HG22 VAL A 490 -1.215 -3.574 6.057 1.00 0.34 H new ATOM 0 HG23 VAL A 490 -1.752 -4.991 6.991 1.00 0.34 H new ATOM 992 N ASN A 491 -0.409 -8.182 4.494 1.00 0.28 N ATOM 993 CA ASN A 491 0.165 -9.424 4.001 1.00 0.28 C ATOM 994 C ASN A 491 -0.273 -9.677 2.558 1.00 0.27 C ATOM 995 O ASN A 491 0.420 -10.350 1.795 1.00 0.28 O ATOM 996 CB ASN A 491 -0.269 -10.577 4.914 1.00 0.30 C ATOM 997 CG ASN A 491 -0.163 -11.940 4.254 1.00 0.35 C ATOM 998 OD1 ASN A 491 0.916 -12.365 3.843 1.00 0.38 O ATOM 999 ND2 ASN A 491 -1.294 -12.631 4.153 1.00 0.41 N ATOM 0 H ASN A 491 -0.981 -8.290 5.332 1.00 0.28 H new ATOM 0 HA ASN A 491 1.253 -9.353 4.011 1.00 0.28 H new ATOM 0 HB2 ASN A 491 0.345 -10.569 5.815 1.00 0.30 H new ATOM 0 HB3 ASN A 491 -1.299 -10.413 5.229 1.00 0.30 H new ATOM 0 HD21 ASN A 491 -1.290 -13.555 3.720 1.00 0.41 H new ATOM 0 HD22 ASN A 491 -2.165 -12.238 4.508 1.00 0.41 H new ATOM 1006 N VAL A 492 -1.426 -9.125 2.197 1.00 0.27 N ATOM 1007 CA VAL A 492 -1.965 -9.275 0.852 1.00 0.27 C ATOM 1008 C VAL A 492 -1.726 -8.016 0.020 1.00 0.26 C ATOM 1009 O VAL A 492 -1.866 -8.034 -1.199 1.00 0.28 O ATOM 1010 CB VAL A 492 -3.476 -9.581 0.895 1.00 0.29 C ATOM 1011 CG1 VAL A 492 -4.200 -8.549 1.747 1.00 0.30 C ATOM 1012 CG2 VAL A 492 -4.063 -9.633 -0.510 1.00 0.31 C ATOM 0 H VAL A 492 -2.008 -8.567 2.822 1.00 0.27 H new ATOM 0 HA VAL A 492 -1.445 -10.111 0.385 1.00 0.27 H new ATOM 0 HB VAL A 492 -3.614 -10.562 1.349 1.00 0.29 H new ATOM 0 HG11 VAL A 492 -5.266 -8.778 1.768 1.00 0.30 H new ATOM 0 HG12 VAL A 492 -3.804 -8.572 2.762 1.00 0.30 H new ATOM 0 HG13 VAL A 492 -4.050 -7.557 1.322 1.00 0.30 H new ATOM 0 HG21 VAL A 492 -5.129 -9.850 -0.451 1.00 0.31 H new ATOM 0 HG22 VAL A 492 -3.915 -8.672 -1.002 1.00 0.31 H new ATOM 0 HG23 VAL A 492 -3.565 -10.414 -1.084 1.00 0.31 H new ATOM 1022 N LEU A 493 -1.366 -6.922 0.681 1.00 0.26 N ATOM 1023 CA LEU A 493 -1.111 -5.672 -0.011 1.00 0.27 C ATOM 1024 C LEU A 493 0.352 -5.585 -0.441 1.00 0.26 C ATOM 1025 O LEU A 493 0.670 -5.059 -1.506 1.00 0.29 O ATOM 1026 CB LEU A 493 -1.475 -4.482 0.888 1.00 0.31 C ATOM 1027 CG LEU A 493 -1.388 -3.091 0.239 1.00 0.54 C ATOM 1028 CD1 LEU A 493 -1.666 -3.147 -1.258 1.00 0.69 C ATOM 1029 CD2 LEU A 493 -2.353 -2.129 0.915 1.00 0.99 C ATOM 0 H LEU A 493 -1.245 -6.879 1.693 1.00 0.26 H new ATOM 0 HA LEU A 493 -1.735 -5.639 -0.904 1.00 0.27 H new ATOM 0 HB2 LEU A 493 -2.492 -4.627 1.253 1.00 0.31 H new ATOM 0 HB3 LEU A 493 -0.818 -4.496 1.758 1.00 0.31 H new ATOM 0 HG LEU A 493 -0.368 -2.730 0.374 1.00 0.54 H new ATOM 0 HD11 LEU A 493 -1.595 -2.144 -1.679 1.00 0.69 H new ATOM 0 HD12 LEU A 493 -0.934 -3.796 -1.740 1.00 0.69 H new ATOM 0 HD13 LEU A 493 -2.668 -3.541 -1.428 1.00 0.69 H new ATOM 0 HD21 LEU A 493 -2.279 -1.149 0.444 1.00 0.99 H new ATOM 0 HD22 LEU A 493 -3.371 -2.504 0.814 1.00 0.99 H new ATOM 0 HD23 LEU A 493 -2.101 -2.044 1.972 1.00 0.99 H new ATOM 1041 N ALA A 494 1.237 -6.115 0.396 1.00 0.25 N ATOM 1042 CA ALA A 494 2.667 -6.106 0.108 1.00 0.26 C ATOM 1043 C ALA A 494 2.966 -6.766 -1.233 1.00 0.25 C ATOM 1044 O ALA A 494 3.797 -6.286 -2.004 1.00 0.28 O ATOM 1045 CB ALA A 494 3.424 -6.819 1.219 1.00 0.29 C ATOM 0 H ALA A 494 0.989 -6.557 1.281 1.00 0.25 H new ATOM 0 HA ALA A 494 2.995 -5.068 0.053 1.00 0.26 H new ATOM 0 HB1 ALA A 494 4.491 -6.808 0.997 1.00 0.29 H new ATOM 0 HB2 ALA A 494 3.245 -6.310 2.166 1.00 0.29 H new ATOM 0 HB3 ALA A 494 3.079 -7.850 1.291 1.00 0.29 H new ATOM 1051 N GLN A 495 2.291 -7.879 -1.494 1.00 0.24 N ATOM 1052 CA GLN A 495 2.481 -8.628 -2.723 1.00 0.25 C ATOM 1053 C GLN A 495 2.062 -7.831 -3.957 1.00 0.23 C ATOM 1054 O GLN A 495 2.696 -7.919 -5.007 1.00 0.23 O ATOM 1055 CB GLN A 495 1.695 -9.935 -2.659 1.00 0.28 C ATOM 1056 CG GLN A 495 0.347 -9.806 -1.985 1.00 0.31 C ATOM 1057 CD GLN A 495 -0.789 -10.341 -2.834 1.00 0.40 C ATOM 1058 OE1 GLN A 495 -0.792 -11.508 -3.227 1.00 0.83 O ATOM 1059 NE2 GLN A 495 -1.760 -9.486 -3.120 1.00 0.38 N ATOM 0 H GLN A 495 1.601 -8.283 -0.861 1.00 0.24 H new ATOM 0 HA GLN A 495 3.546 -8.838 -2.816 1.00 0.25 H new ATOM 0 HB2 GLN A 495 1.550 -10.310 -3.672 1.00 0.28 H new ATOM 0 HB3 GLN A 495 2.287 -10.678 -2.126 1.00 0.28 H new ATOM 0 HG2 GLN A 495 0.368 -10.341 -1.036 1.00 0.31 H new ATOM 0 HG3 GLN A 495 0.160 -8.757 -1.755 1.00 0.31 H new ATOM 0 HE21 GLN A 495 -1.715 -8.528 -2.772 1.00 0.38 H new ATOM 0 HE22 GLN A 495 -2.553 -9.786 -3.688 1.00 0.38 H new ATOM 1068 N ILE A 496 0.978 -7.077 -3.836 1.00 0.23 N ATOM 1069 CA ILE A 496 0.465 -6.296 -4.954 1.00 0.23 C ATOM 1070 C ILE A 496 1.231 -4.985 -5.168 1.00 0.24 C ATOM 1071 O ILE A 496 1.317 -4.489 -6.292 1.00 0.31 O ATOM 1072 CB ILE A 496 -1.031 -5.974 -4.773 1.00 0.26 C ATOM 1073 CG1 ILE A 496 -1.880 -7.207 -5.079 1.00 0.26 C ATOM 1074 CG2 ILE A 496 -1.434 -4.821 -5.676 1.00 0.27 C ATOM 1075 CD1 ILE A 496 -3.150 -7.284 -4.259 1.00 0.31 C ATOM 0 H ILE A 496 0.437 -6.989 -2.976 1.00 0.23 H new ATOM 0 HA ILE A 496 0.606 -6.921 -5.836 1.00 0.23 H new ATOM 0 HB ILE A 496 -1.201 -5.682 -3.737 1.00 0.26 H new ATOM 0 HG12 ILE A 496 -2.140 -7.206 -6.138 1.00 0.26 H new ATOM 0 HG13 ILE A 496 -1.285 -8.102 -4.898 1.00 0.26 H new ATOM 0 HG21 ILE A 496 -2.493 -4.604 -5.538 1.00 0.27 H new ATOM 0 HG22 ILE A 496 -0.847 -3.938 -5.423 1.00 0.27 H new ATOM 0 HG23 ILE A 496 -1.252 -5.092 -6.716 1.00 0.27 H new ATOM 0 HD11 ILE A 496 -3.703 -8.184 -4.528 1.00 0.31 H new ATOM 0 HD12 ILE A 496 -2.897 -7.317 -3.199 1.00 0.31 H new ATOM 0 HD13 ILE A 496 -3.765 -6.407 -4.458 1.00 0.31 H new ATOM 1087 N LEU A 497 1.760 -4.410 -4.098 1.00 0.25 N ATOM 1088 CA LEU A 497 2.485 -3.146 -4.191 1.00 0.26 C ATOM 1089 C LEU A 497 3.547 -3.172 -5.295 1.00 0.24 C ATOM 1090 O LEU A 497 3.582 -2.292 -6.155 1.00 0.26 O ATOM 1091 CB LEU A 497 3.140 -2.822 -2.848 1.00 0.28 C ATOM 1092 CG LEU A 497 2.420 -1.774 -1.995 1.00 0.31 C ATOM 1093 CD1 LEU A 497 2.098 -0.520 -2.799 1.00 0.28 C ATOM 1094 CD2 LEU A 497 1.156 -2.360 -1.400 1.00 0.57 C ATOM 0 H LEU A 497 1.702 -4.796 -3.156 1.00 0.25 H new ATOM 0 HA LEU A 497 1.763 -2.371 -4.447 1.00 0.26 H new ATOM 0 HB2 LEU A 497 3.217 -3.743 -2.271 1.00 0.28 H new ATOM 0 HB3 LEU A 497 4.157 -2.476 -3.034 1.00 0.28 H new ATOM 0 HG LEU A 497 3.092 -1.484 -1.187 1.00 0.31 H new ATOM 0 HD11 LEU A 497 1.587 0.201 -2.160 1.00 0.28 H new ATOM 0 HD12 LEU A 497 3.022 -0.081 -3.174 1.00 0.28 H new ATOM 0 HD13 LEU A 497 1.453 -0.781 -3.638 1.00 0.28 H new ATOM 0 HD21 LEU A 497 0.654 -1.604 -0.796 1.00 0.57 H new ATOM 0 HD22 LEU A 497 0.492 -2.683 -2.202 1.00 0.57 H new ATOM 0 HD23 LEU A 497 1.411 -3.215 -0.773 1.00 0.57 H new ATOM 1106 N LYS A 498 4.428 -4.164 -5.243 1.00 0.26 N ATOM 1107 CA LYS A 498 5.515 -4.284 -6.216 1.00 0.26 C ATOM 1108 C LYS A 498 5.005 -4.423 -7.647 1.00 0.26 C ATOM 1109 O LYS A 498 5.669 -3.994 -8.591 1.00 0.27 O ATOM 1110 CB LYS A 498 6.419 -5.466 -5.864 1.00 0.29 C ATOM 1111 CG LYS A 498 5.696 -6.804 -5.820 1.00 0.41 C ATOM 1112 CD LYS A 498 5.211 -7.150 -4.418 1.00 0.26 C ATOM 1113 CE LYS A 498 6.330 -7.051 -3.385 1.00 0.33 C ATOM 1114 NZ LYS A 498 6.122 -7.996 -2.254 1.00 0.79 N ATOM 0 H LYS A 498 4.413 -4.900 -4.537 1.00 0.26 H new ATOM 0 HA LYS A 498 6.089 -3.359 -6.165 1.00 0.26 H new ATOM 0 HB2 LYS A 498 7.226 -5.524 -6.595 1.00 0.29 H new ATOM 0 HB3 LYS A 498 6.880 -5.281 -4.894 1.00 0.29 H new ATOM 0 HG2 LYS A 498 4.845 -6.778 -6.501 1.00 0.41 H new ATOM 0 HG3 LYS A 498 6.365 -7.588 -6.175 1.00 0.41 H new ATOM 0 HD2 LYS A 498 4.400 -6.478 -4.139 1.00 0.26 H new ATOM 0 HD3 LYS A 498 4.803 -8.161 -4.415 1.00 0.26 H new ATOM 0 HE2 LYS A 498 7.286 -7.262 -3.864 1.00 0.33 H new ATOM 0 HE3 LYS A 498 6.383 -6.032 -3.002 1.00 0.33 H new ATOM 0 HZ1 LYS A 498 6.983 -8.037 -1.673 1.00 0.79 H new ATOM 0 HZ2 LYS A 498 5.326 -7.669 -1.671 1.00 0.79 H new ATOM 0 HZ3 LYS A 498 5.912 -8.944 -2.628 1.00 0.79 H new ATOM 1128 N ARG A 499 3.831 -5.012 -7.808 1.00 0.28 N ATOM 1129 CA ARG A 499 3.251 -5.188 -9.140 1.00 0.31 C ATOM 1130 C ARG A 499 3.034 -3.836 -9.810 1.00 0.29 C ATOM 1131 O ARG A 499 2.946 -3.742 -11.034 1.00 0.33 O ATOM 1132 CB ARG A 499 1.915 -5.938 -9.077 1.00 0.36 C ATOM 1133 CG ARG A 499 1.824 -6.956 -7.956 1.00 0.91 C ATOM 1134 CD ARG A 499 2.967 -7.948 -8.007 1.00 0.83 C ATOM 1135 NE ARG A 499 2.885 -8.821 -9.175 1.00 1.32 N ATOM 1136 CZ ARG A 499 3.842 -9.675 -9.531 1.00 1.71 C ATOM 1137 NH1 ARG A 499 4.953 -9.774 -8.811 1.00 2.05 N ATOM 1138 NH2 ARG A 499 3.688 -10.432 -10.608 1.00 2.41 N ATOM 0 H ARG A 499 3.261 -5.375 -7.044 1.00 0.28 H new ATOM 0 HA ARG A 499 3.956 -5.780 -9.724 1.00 0.31 H new ATOM 0 HB2 ARG A 499 1.110 -5.213 -8.960 1.00 0.36 H new ATOM 0 HB3 ARG A 499 1.751 -6.446 -10.028 1.00 0.36 H new ATOM 0 HG2 ARG A 499 1.831 -6.441 -6.995 1.00 0.91 H new ATOM 0 HG3 ARG A 499 0.876 -7.489 -8.025 1.00 0.91 H new ATOM 0 HD2 ARG A 499 3.914 -7.409 -8.024 1.00 0.83 H new ATOM 0 HD3 ARG A 499 2.961 -8.554 -7.101 1.00 0.83 H new ATOM 0 HE ARG A 499 2.045 -8.774 -9.752 1.00 1.32 H new ATOM 0 HH11 ARG A 499 5.076 -9.194 -7.981 1.00 2.05 H new ATOM 0 HH12 ARG A 499 5.683 -10.430 -9.088 1.00 2.05 H new ATOM 0 HH21 ARG A 499 2.836 -10.360 -11.164 1.00 2.41 H new ATOM 0 HH22 ARG A 499 4.421 -11.086 -10.881 1.00 2.41 H new ATOM 1152 N LEU A 500 2.934 -2.796 -8.992 1.00 0.26 N ATOM 1153 CA LEU A 500 2.710 -1.446 -9.487 1.00 0.27 C ATOM 1154 C LEU A 500 3.839 -0.981 -10.392 1.00 0.28 C ATOM 1155 O LEU A 500 3.602 -0.441 -11.473 1.00 0.34 O ATOM 1156 CB LEU A 500 2.554 -0.486 -8.309 1.00 0.26 C ATOM 1157 CG LEU A 500 1.428 -0.844 -7.337 1.00 0.26 C ATOM 1158 CD1 LEU A 500 1.434 0.092 -6.138 1.00 0.29 C ATOM 1159 CD2 LEU A 500 0.082 -0.805 -8.044 1.00 0.31 C ATOM 0 H LEU A 500 3.005 -2.864 -7.977 1.00 0.26 H new ATOM 0 HA LEU A 500 1.796 -1.454 -10.080 1.00 0.27 H new ATOM 0 HB2 LEU A 500 3.494 -0.453 -7.758 1.00 0.26 H new ATOM 0 HB3 LEU A 500 2.376 0.517 -8.697 1.00 0.26 H new ATOM 0 HG LEU A 500 1.596 -1.858 -6.975 1.00 0.26 H new ATOM 0 HD11 LEU A 500 0.625 -0.180 -5.460 1.00 0.29 H new ATOM 0 HD12 LEU A 500 2.388 0.010 -5.617 1.00 0.29 H new ATOM 0 HD13 LEU A 500 1.293 1.118 -6.477 1.00 0.29 H new ATOM 0 HD21 LEU A 500 -0.707 -1.062 -7.338 1.00 0.31 H new ATOM 0 HD22 LEU A 500 -0.094 0.197 -8.436 1.00 0.31 H new ATOM 0 HD23 LEU A 500 0.082 -1.521 -8.865 1.00 0.31 H new ATOM 1171 N ASN A 501 5.064 -1.181 -9.940 1.00 0.26 N ATOM 1172 CA ASN A 501 6.234 -0.773 -10.699 1.00 0.28 C ATOM 1173 C ASN A 501 6.155 0.718 -11.022 1.00 0.28 C ATOM 1174 O ASN A 501 6.209 1.121 -12.183 1.00 0.32 O ATOM 1175 CB ASN A 501 6.336 -1.603 -11.979 1.00 0.35 C ATOM 1176 CG ASN A 501 7.483 -1.179 -12.869 1.00 0.40 C ATOM 1177 OD1 ASN A 501 7.318 -0.361 -13.775 1.00 0.61 O ATOM 1178 ND2 ASN A 501 8.655 -1.743 -12.617 1.00 0.53 N ATOM 0 H ASN A 501 5.276 -1.626 -9.047 1.00 0.26 H new ATOM 0 HA ASN A 501 7.130 -0.946 -10.102 1.00 0.28 H new ATOM 0 HB2 ASN A 501 6.457 -2.654 -11.715 1.00 0.35 H new ATOM 0 HB3 ASN A 501 5.402 -1.520 -12.535 1.00 0.35 H new ATOM 0 HD21 ASN A 501 9.468 -1.504 -13.184 1.00 0.53 H new ATOM 0 HD22 ASN A 501 8.744 -2.416 -11.855 1.00 0.53 H new ATOM 1185 N PRO A 502 6.019 1.559 -9.982 1.00 0.24 N ATOM 1186 CA PRO A 502 5.926 2.996 -10.112 1.00 0.25 C ATOM 1187 C PRO A 502 7.257 3.668 -9.828 1.00 0.25 C ATOM 1188 O PRO A 502 8.309 3.029 -9.865 1.00 0.26 O ATOM 1189 CB PRO A 502 4.911 3.345 -9.018 1.00 0.22 C ATOM 1190 CG PRO A 502 5.001 2.233 -8.009 1.00 0.20 C ATOM 1191 CD PRO A 502 5.944 1.195 -8.569 1.00 0.21 C ATOM 0 HA PRO A 502 5.644 3.323 -11.113 1.00 0.25 H new ATOM 0 HB2 PRO A 502 5.143 4.307 -8.562 1.00 0.22 H new ATOM 0 HB3 PRO A 502 3.904 3.421 -9.428 1.00 0.22 H new ATOM 0 HG2 PRO A 502 5.367 2.609 -7.054 1.00 0.20 H new ATOM 0 HG3 PRO A 502 4.018 1.800 -7.825 1.00 0.20 H new ATOM 0 HD2 PRO A 502 6.921 1.234 -8.088 1.00 0.21 H new ATOM 0 HD3 PRO A 502 5.561 0.184 -8.431 1.00 0.21 H new ATOM 1199 N GLU A 503 7.205 4.952 -9.524 1.00 0.26 N ATOM 1200 CA GLU A 503 8.394 5.706 -9.211 1.00 0.28 C ATOM 1201 C GLU A 503 8.301 6.248 -7.793 1.00 0.27 C ATOM 1202 O GLU A 503 7.230 6.660 -7.349 1.00 0.26 O ATOM 1203 CB GLU A 503 8.578 6.837 -10.213 1.00 0.32 C ATOM 1204 CG GLU A 503 9.644 6.545 -11.254 1.00 0.37 C ATOM 1205 CD GLU A 503 10.884 7.399 -11.077 1.00 0.41 C ATOM 1206 OE1 GLU A 503 11.293 7.619 -9.917 1.00 1.17 O ATOM 1207 OE2 GLU A 503 11.447 7.848 -12.098 1.00 1.15 O ATOM 0 H GLU A 503 6.342 5.494 -9.489 1.00 0.26 H new ATOM 0 HA GLU A 503 9.263 5.051 -9.276 1.00 0.28 H new ATOM 0 HB2 GLU A 503 7.630 7.026 -10.716 1.00 0.32 H new ATOM 0 HB3 GLU A 503 8.842 7.749 -9.678 1.00 0.32 H new ATOM 0 HG2 GLU A 503 9.922 5.492 -11.198 1.00 0.37 H new ATOM 0 HG3 GLU A 503 9.231 6.713 -12.248 1.00 0.37 H new ATOM 1214 N ARG A 504 9.415 6.230 -7.078 1.00 0.29 N ATOM 1215 CA ARG A 504 9.429 6.705 -5.705 1.00 0.30 C ATOM 1216 C ARG A 504 9.492 8.224 -5.642 1.00 0.32 C ATOM 1217 O ARG A 504 10.273 8.863 -6.347 1.00 0.36 O ATOM 1218 CB ARG A 504 10.597 6.095 -4.938 1.00 0.33 C ATOM 1219 CG ARG A 504 11.961 6.482 -5.489 1.00 0.38 C ATOM 1220 CD ARG A 504 12.895 6.957 -4.388 1.00 0.96 C ATOM 1221 NE ARG A 504 14.006 7.747 -4.915 1.00 1.28 N ATOM 1222 CZ ARG A 504 14.915 8.348 -4.151 1.00 1.86 C ATOM 1223 NH1 ARG A 504 14.849 8.254 -2.829 1.00 2.50 N ATOM 1224 NH2 ARG A 504 15.893 9.047 -4.711 1.00 2.45 N ATOM 0 H ARG A 504 10.314 5.894 -7.423 1.00 0.29 H new ATOM 0 HA ARG A 504 8.497 6.388 -5.237 1.00 0.30 H new ATOM 0 HB2 ARG A 504 10.536 6.404 -3.895 1.00 0.33 H new ATOM 0 HB3 ARG A 504 10.503 5.009 -4.955 1.00 0.33 H new ATOM 0 HG2 ARG A 504 12.404 5.627 -5.999 1.00 0.38 H new ATOM 0 HG3 ARG A 504 11.843 7.270 -6.232 1.00 0.38 H new ATOM 0 HD2 ARG A 504 12.334 7.555 -3.670 1.00 0.96 H new ATOM 0 HD3 ARG A 504 13.287 6.095 -3.848 1.00 0.96 H new ATOM 0 HE ARG A 504 14.090 7.843 -5.927 1.00 1.28 H new ATOM 0 HH11 ARG A 504 14.098 7.719 -2.393 1.00 2.50 H new ATOM 0 HH12 ARG A 504 15.549 8.717 -2.249 1.00 2.50 H new ATOM 0 HH21 ARG A 504 15.948 9.124 -5.727 1.00 2.45 H new ATOM 0 HH22 ARG A 504 16.590 9.508 -4.126 1.00 2.45 H new ATOM 1238 N LYS A 505 8.655 8.786 -4.783 1.00 0.32 N ATOM 1239 CA LYS A 505 8.580 10.229 -4.591 1.00 0.36 C ATOM 1240 C LYS A 505 8.018 10.535 -3.210 1.00 0.35 C ATOM 1241 O LYS A 505 7.380 9.683 -2.594 1.00 0.44 O ATOM 1242 CB LYS A 505 7.701 10.879 -5.664 1.00 0.37 C ATOM 1243 CG LYS A 505 7.834 10.244 -7.039 1.00 0.39 C ATOM 1244 CD LYS A 505 6.899 10.894 -8.045 1.00 0.62 C ATOM 1245 CE LYS A 505 5.452 10.498 -7.797 1.00 0.47 C ATOM 1246 NZ LYS A 505 4.501 11.384 -8.524 1.00 0.78 N ATOM 0 H LYS A 505 8.008 8.256 -4.199 1.00 0.32 H new ATOM 0 HA LYS A 505 9.586 10.640 -4.676 1.00 0.36 H new ATOM 0 HB2 LYS A 505 6.659 10.823 -5.348 1.00 0.37 H new ATOM 0 HB3 LYS A 505 7.956 11.936 -5.737 1.00 0.37 H new ATOM 0 HG2 LYS A 505 8.863 10.336 -7.385 1.00 0.39 H new ATOM 0 HG3 LYS A 505 7.614 9.179 -6.972 1.00 0.39 H new ATOM 0 HD2 LYS A 505 6.996 11.978 -7.986 1.00 0.62 H new ATOM 0 HD3 LYS A 505 7.189 10.603 -9.054 1.00 0.62 H new ATOM 0 HE2 LYS A 505 5.299 9.466 -8.112 1.00 0.47 H new ATOM 0 HE3 LYS A 505 5.242 10.540 -6.728 1.00 0.47 H new ATOM 0 HZ1 LYS A 505 3.642 10.849 -8.765 1.00 0.78 H new ATOM 0 HZ2 LYS A 505 4.248 12.191 -7.920 1.00 0.78 H new ATOM 0 HZ3 LYS A 505 4.948 11.731 -9.396 1.00 0.78 H new ATOM 1260 N MET A 506 8.255 11.745 -2.720 1.00 0.36 N ATOM 1261 CA MET A 506 7.761 12.127 -1.405 1.00 0.36 C ATOM 1262 C MET A 506 6.562 13.065 -1.505 1.00 0.36 C ATOM 1263 O MET A 506 6.699 14.227 -1.889 1.00 0.39 O ATOM 1264 CB MET A 506 8.871 12.784 -0.583 1.00 0.41 C ATOM 1265 CG MET A 506 9.604 13.895 -1.316 1.00 0.48 C ATOM 1266 SD MET A 506 10.218 15.175 -0.201 1.00 0.62 S ATOM 1267 CE MET A 506 10.686 14.196 1.226 1.00 0.50 C ATOM 0 H MET A 506 8.780 12.471 -3.207 1.00 0.36 H new ATOM 0 HA MET A 506 7.436 11.216 -0.902 1.00 0.36 H new ATOM 0 HB2 MET A 506 8.440 13.189 0.333 1.00 0.41 H new ATOM 0 HB3 MET A 506 9.591 12.021 -0.287 1.00 0.41 H new ATOM 0 HG2 MET A 506 10.441 13.469 -1.870 1.00 0.48 H new ATOM 0 HG3 MET A 506 8.934 14.346 -2.047 1.00 0.48 H new ATOM 0 HE1 MET A 506 11.347 14.780 1.867 1.00 0.50 H new ATOM 0 HE2 MET A 506 9.793 13.917 1.785 1.00 0.50 H new ATOM 0 HE3 MET A 506 11.203 13.295 0.895 1.00 0.50 H new ATOM 1277 N ILE A 507 5.390 12.557 -1.137 1.00 0.33 N ATOM 1278 CA ILE A 507 4.169 13.351 -1.164 1.00 0.35 C ATOM 1279 C ILE A 507 3.967 14.039 0.185 1.00 0.37 C ATOM 1280 O ILE A 507 3.689 13.385 1.190 1.00 0.37 O ATOM 1281 CB ILE A 507 2.921 12.482 -1.486 1.00 0.34 C ATOM 1282 CG1 ILE A 507 2.884 12.043 -2.963 1.00 0.33 C ATOM 1283 CG2 ILE A 507 1.646 13.238 -1.141 1.00 0.38 C ATOM 1284 CD1 ILE A 507 3.831 12.803 -3.868 1.00 0.37 C ATOM 0 H ILE A 507 5.261 11.597 -0.816 1.00 0.33 H new ATOM 0 HA ILE A 507 4.279 14.094 -1.954 1.00 0.35 H new ATOM 0 HB ILE A 507 2.990 11.583 -0.874 1.00 0.34 H new ATOM 0 HG12 ILE A 507 3.122 10.981 -3.019 1.00 0.33 H new ATOM 0 HG13 ILE A 507 1.868 12.162 -3.339 1.00 0.33 H new ATOM 0 HG21 ILE A 507 0.781 12.617 -1.372 1.00 0.38 H new ATOM 0 HG22 ILE A 507 1.644 13.482 -0.079 1.00 0.38 H new ATOM 0 HG23 ILE A 507 1.599 14.157 -1.725 1.00 0.38 H new ATOM 0 HD11 ILE A 507 3.739 12.429 -4.888 1.00 0.37 H new ATOM 0 HD12 ILE A 507 3.582 13.864 -3.847 1.00 0.37 H new ATOM 0 HD13 ILE A 507 4.855 12.664 -3.522 1.00 0.37 H new ATOM 1296 N ASN A 508 4.110 15.360 0.200 1.00 0.41 N ATOM 1297 CA ASN A 508 3.946 16.130 1.427 1.00 0.44 C ATOM 1298 C ASN A 508 4.935 15.668 2.494 1.00 0.44 C ATOM 1299 O ASN A 508 4.575 15.501 3.659 1.00 0.46 O ATOM 1300 CB ASN A 508 2.513 15.998 1.948 1.00 0.47 C ATOM 1301 CG ASN A 508 2.070 17.217 2.733 1.00 0.80 C ATOM 1302 OD1 ASN A 508 2.500 18.337 2.458 1.00 1.40 O ATOM 1303 ND2 ASN A 508 1.205 17.004 3.718 1.00 1.40 N ATOM 0 H ASN A 508 4.339 15.919 -0.622 1.00 0.41 H new ATOM 0 HA ASN A 508 4.147 17.177 1.201 1.00 0.44 H new ATOM 0 HB2 ASN A 508 1.836 15.845 1.107 1.00 0.47 H new ATOM 0 HB3 ASN A 508 2.439 15.114 2.582 1.00 0.47 H new ATOM 0 HD21 ASN A 508 0.871 17.786 4.281 1.00 1.40 H new ATOM 0 HD22 ASN A 508 0.875 16.058 3.911 1.00 1.40 H new ATOM 1310 N ASP A 509 6.185 15.463 2.085 1.00 0.43 N ATOM 1311 CA ASP A 509 7.233 15.019 3.000 1.00 0.45 C ATOM 1312 C ASP A 509 7.041 13.556 3.401 1.00 0.43 C ATOM 1313 O ASP A 509 7.677 13.075 4.339 1.00 0.46 O ATOM 1314 CB ASP A 509 7.262 15.901 4.251 1.00 0.48 C ATOM 1315 CG ASP A 509 8.673 16.177 4.732 1.00 0.86 C ATOM 1316 OD1 ASP A 509 9.311 17.108 4.197 1.00 1.37 O ATOM 1317 OD2 ASP A 509 9.140 15.462 5.644 1.00 1.66 O ATOM 0 H ASP A 509 6.497 15.598 1.123 1.00 0.43 H new ATOM 0 HA ASP A 509 8.185 15.108 2.477 1.00 0.45 H new ATOM 0 HB2 ASP A 509 6.763 16.846 4.037 1.00 0.48 H new ATOM 0 HB3 ASP A 509 6.698 15.415 5.048 1.00 0.48 H new ATOM 1322 N LYS A 510 6.166 12.852 2.687 1.00 0.40 N ATOM 1323 CA LYS A 510 5.903 11.446 2.974 1.00 0.39 C ATOM 1324 C LYS A 510 6.322 10.566 1.805 1.00 0.38 C ATOM 1325 O LYS A 510 5.998 10.857 0.655 1.00 0.37 O ATOM 1326 CB LYS A 510 4.420 11.227 3.269 1.00 0.38 C ATOM 1327 CG LYS A 510 4.135 9.901 3.954 1.00 0.40 C ATOM 1328 CD LYS A 510 4.120 10.045 5.468 1.00 0.45 C ATOM 1329 CE LYS A 510 5.437 10.595 5.992 1.00 0.47 C ATOM 1330 NZ LYS A 510 5.450 10.687 7.478 1.00 1.25 N ATOM 0 H LYS A 510 5.629 13.232 1.908 1.00 0.40 H new ATOM 0 HA LYS A 510 6.489 11.171 3.851 1.00 0.39 H new ATOM 0 HB2 LYS A 510 4.058 12.039 3.899 1.00 0.38 H new ATOM 0 HB3 LYS A 510 3.860 11.274 2.335 1.00 0.38 H new ATOM 0 HG2 LYS A 510 3.174 9.515 3.615 1.00 0.40 H new ATOM 0 HG3 LYS A 510 4.891 9.171 3.665 1.00 0.40 H new ATOM 0 HD2 LYS A 510 3.306 10.707 5.763 1.00 0.45 H new ATOM 0 HD3 LYS A 510 3.923 9.075 5.924 1.00 0.45 H new ATOM 0 HE2 LYS A 510 6.255 9.955 5.661 1.00 0.47 H new ATOM 0 HE3 LYS A 510 5.613 11.583 5.566 1.00 0.47 H new ATOM 0 HZ1 LYS A 510 6.365 11.066 7.794 1.00 1.25 H new ATOM 0 HZ2 LYS A 510 4.686 11.318 7.793 1.00 1.25 H new ATOM 0 HZ3 LYS A 510 5.308 9.741 7.886 1.00 1.25 H new ATOM 1344 N MET A 511 7.040 9.486 2.098 1.00 0.40 N ATOM 1345 CA MET A 511 7.490 8.579 1.051 1.00 0.40 C ATOM 1346 C MET A 511 6.300 7.919 0.359 1.00 0.36 C ATOM 1347 O MET A 511 5.627 7.063 0.933 1.00 0.36 O ATOM 1348 CB MET A 511 8.417 7.510 1.636 1.00 0.44 C ATOM 1349 CG MET A 511 9.893 7.800 1.417 1.00 0.90 C ATOM 1350 SD MET A 511 10.547 6.995 -0.058 1.00 1.13 S ATOM 1351 CE MET A 511 9.473 7.675 -1.320 1.00 0.89 C ATOM 0 H MET A 511 7.320 9.220 3.042 1.00 0.40 H new ATOM 0 HA MET A 511 8.042 9.159 0.311 1.00 0.40 H new ATOM 0 HB2 MET A 511 8.227 7.422 2.706 1.00 0.44 H new ATOM 0 HB3 MET A 511 8.174 6.546 1.189 1.00 0.44 H new ATOM 0 HG2 MET A 511 10.039 8.877 1.334 1.00 0.90 H new ATOM 0 HG3 MET A 511 10.458 7.468 2.288 1.00 0.90 H new ATOM 0 HE1 MET A 511 9.897 7.476 -2.304 1.00 0.89 H new ATOM 0 HE2 MET A 511 8.489 7.212 -1.248 1.00 0.89 H new ATOM 0 HE3 MET A 511 9.379 8.751 -1.177 1.00 0.89 H new ATOM 1361 N HIS A 512 6.056 8.326 -0.880 1.00 0.34 N ATOM 1362 CA HIS A 512 4.962 7.793 -1.674 1.00 0.32 C ATOM 1363 C HIS A 512 5.475 7.196 -2.983 1.00 0.32 C ATOM 1364 O HIS A 512 6.140 7.877 -3.763 1.00 0.45 O ATOM 1365 CB HIS A 512 3.958 8.899 -2.002 1.00 0.34 C ATOM 1366 CG HIS A 512 2.977 9.203 -0.912 1.00 0.61 C ATOM 1367 ND1 HIS A 512 3.350 9.607 0.353 1.00 1.40 N ATOM 1368 CD2 HIS A 512 1.624 9.199 -0.919 1.00 1.39 C ATOM 1369 CE1 HIS A 512 2.266 9.839 1.075 1.00 1.55 C ATOM 1370 NE2 HIS A 512 1.208 9.597 0.326 1.00 1.51 N ATOM 0 H HIS A 512 6.611 9.034 -1.360 1.00 0.34 H new ATOM 0 HA HIS A 512 4.479 7.012 -1.087 1.00 0.32 H new ATOM 0 HB2 HIS A 512 4.508 9.810 -2.241 1.00 0.34 H new ATOM 0 HB3 HIS A 512 3.407 8.615 -2.898 1.00 0.34 H new ATOM 0 HD2 HIS A 512 0.989 8.932 -1.751 1.00 1.39 H new ATOM 0 HE1 HIS A 512 2.250 10.170 2.103 1.00 1.55 H new ATOM 0 HE2 HIS A 512 0.237 9.691 0.624 1.00 1.51 H new ATOM 1379 N PHE A 513 5.146 5.936 -3.234 1.00 0.25 N ATOM 1380 CA PHE A 513 5.555 5.272 -4.464 1.00 0.25 C ATOM 1381 C PHE A 513 4.356 5.130 -5.397 1.00 0.25 C ATOM 1382 O PHE A 513 3.331 4.570 -5.012 1.00 0.30 O ATOM 1383 CB PHE A 513 6.162 3.898 -4.158 1.00 0.31 C ATOM 1384 CG PHE A 513 5.988 3.447 -2.732 1.00 0.28 C ATOM 1385 CD1 PHE A 513 4.801 2.871 -2.310 1.00 1.22 C ATOM 1386 CD2 PHE A 513 7.015 3.602 -1.815 1.00 1.21 C ATOM 1387 CE1 PHE A 513 4.641 2.458 -1.002 1.00 1.25 C ATOM 1388 CE2 PHE A 513 6.861 3.191 -0.505 1.00 1.27 C ATOM 1389 CZ PHE A 513 5.672 2.618 -0.098 1.00 0.54 C ATOM 0 H PHE A 513 4.597 5.353 -2.602 1.00 0.25 H new ATOM 0 HA PHE A 513 6.316 5.878 -4.955 1.00 0.25 H new ATOM 0 HB2 PHE A 513 5.709 3.159 -4.818 1.00 0.31 H new ATOM 0 HB3 PHE A 513 7.226 3.924 -4.391 1.00 0.31 H new ATOM 0 HD1 PHE A 513 3.991 2.743 -3.013 1.00 1.22 H new ATOM 0 HD2 PHE A 513 7.947 4.049 -2.128 1.00 1.21 H new ATOM 0 HE1 PHE A 513 3.710 2.010 -0.687 1.00 1.25 H new ATOM 0 HE2 PHE A 513 7.669 3.318 0.200 1.00 1.27 H new ATOM 0 HZ PHE A 513 5.549 2.296 0.925 1.00 0.54 H new ATOM 1399 N SER A 514 4.471 5.656 -6.616 1.00 0.25 N ATOM 1400 CA SER A 514 3.368 5.590 -7.569 1.00 0.28 C ATOM 1401 C SER A 514 3.718 6.263 -8.894 1.00 0.31 C ATOM 1402 O SER A 514 4.725 6.962 -9.007 1.00 0.34 O ATOM 1403 CB SER A 514 2.130 6.251 -6.969 1.00 0.36 C ATOM 1404 OG SER A 514 1.035 5.353 -6.938 1.00 0.54 O ATOM 0 H SER A 514 5.307 6.127 -6.962 1.00 0.25 H new ATOM 0 HA SER A 514 3.169 4.538 -7.773 1.00 0.28 H new ATOM 0 HB2 SER A 514 2.351 6.594 -5.958 1.00 0.36 H new ATOM 0 HB3 SER A 514 1.865 7.132 -7.554 1.00 0.36 H new ATOM 0 HG SER A 514 0.955 4.965 -6.041 1.00 0.54 H new ATOM 1410 N LEU A 515 2.858 6.056 -9.887 1.00 0.34 N ATOM 1411 CA LEU A 515 3.035 6.643 -11.204 1.00 0.40 C ATOM 1412 C LEU A 515 1.975 7.699 -11.455 1.00 0.41 C ATOM 1413 O LEU A 515 1.008 7.813 -10.702 1.00 0.38 O ATOM 1414 CB LEU A 515 2.983 5.584 -12.319 1.00 0.45 C ATOM 1415 CG LEU A 515 1.582 5.130 -12.748 1.00 0.47 C ATOM 1416 CD1 LEU A 515 1.655 3.879 -13.610 1.00 1.13 C ATOM 1417 CD2 LEU A 515 0.710 4.882 -11.538 1.00 1.52 C ATOM 0 H LEU A 515 2.022 5.478 -9.798 1.00 0.34 H new ATOM 0 HA LEU A 515 4.024 7.102 -11.223 1.00 0.40 H new ATOM 0 HB2 LEU A 515 3.499 5.980 -13.194 1.00 0.45 H new ATOM 0 HB3 LEU A 515 3.542 4.709 -11.988 1.00 0.45 H new ATOM 0 HG LEU A 515 1.137 5.929 -13.342 1.00 0.47 H new ATOM 0 HD11 LEU A 515 0.648 3.578 -13.901 1.00 1.13 H new ATOM 0 HD12 LEU A 515 2.244 4.087 -14.503 1.00 1.13 H new ATOM 0 HD13 LEU A 515 2.125 3.074 -13.045 1.00 1.13 H new ATOM 0 HD21 LEU A 515 -0.280 4.561 -11.862 1.00 1.52 H new ATOM 0 HD22 LEU A 515 1.159 4.105 -10.919 1.00 1.52 H new ATOM 0 HD23 LEU A 515 0.621 5.801 -10.959 1.00 1.52 H new ATOM 1429 N LYS A 516 2.146 8.459 -12.521 1.00 0.48 N ATOM 1430 CA LYS A 516 1.179 9.478 -12.861 1.00 0.51 C ATOM 1431 C LYS A 516 0.993 9.567 -14.367 1.00 0.56 C ATOM 1432 O LYS A 516 1.847 10.088 -15.085 1.00 0.66 O ATOM 1433 CB LYS A 516 1.580 10.832 -12.282 1.00 0.61 C ATOM 1434 CG LYS A 516 2.902 10.800 -11.554 1.00 0.65 C ATOM 1435 CD LYS A 516 4.047 10.588 -12.524 1.00 0.69 C ATOM 1436 CE LYS A 516 5.193 9.823 -11.880 1.00 0.68 C ATOM 1437 NZ LYS A 516 6.422 9.853 -12.720 1.00 1.18 N ATOM 0 H LYS A 516 2.939 8.389 -13.159 1.00 0.48 H new ATOM 0 HA LYS A 516 0.225 9.194 -12.417 1.00 0.51 H new ATOM 0 HB2 LYS A 516 1.635 11.563 -13.089 1.00 0.61 H new ATOM 0 HB3 LYS A 516 0.803 11.171 -11.597 1.00 0.61 H new ATOM 0 HG2 LYS A 516 3.047 11.735 -11.013 1.00 0.65 H new ATOM 0 HG3 LYS A 516 2.895 10.001 -10.813 1.00 0.65 H new ATOM 0 HD2 LYS A 516 3.689 10.041 -13.396 1.00 0.69 H new ATOM 0 HD3 LYS A 516 4.407 11.554 -12.879 1.00 0.69 H new ATOM 0 HE2 LYS A 516 5.411 10.252 -10.902 1.00 0.68 H new ATOM 0 HE3 LYS A 516 4.891 8.789 -11.715 1.00 0.68 H new ATOM 0 HZ1 LYS A 516 7.179 9.321 -12.246 1.00 1.18 H new ATOM 0 HZ2 LYS A 516 6.221 9.421 -13.644 1.00 1.18 H new ATOM 0 HZ3 LYS A 516 6.725 10.838 -12.857 1.00 1.18 H new ATOM 1451 N GLU A 517 -0.135 9.050 -14.835 1.00 0.53 N ATOM 1452 CA GLU A 517 -0.458 9.057 -16.249 1.00 0.60 C ATOM 1453 C GLU A 517 -0.601 10.484 -16.770 1.00 0.75 C ATOM 1454 O GLU A 517 -0.005 10.791 -17.824 1.00 1.48 O ATOM 1455 CB GLU A 517 -1.750 8.279 -16.485 1.00 0.68 C ATOM 1456 CG GLU A 517 -2.850 8.598 -15.483 1.00 1.72 C ATOM 1457 CD GLU A 517 -4.223 8.184 -15.975 1.00 2.71 C ATOM 1458 OE1 GLU A 517 -4.332 7.104 -16.593 1.00 3.33 O ATOM 1459 OE2 GLU A 517 -5.190 8.939 -15.742 1.00 3.33 O ATOM 1460 OXT GLU A 517 -1.309 11.281 -16.120 1.00 1.18 O ATOM 0 H GLU A 517 -0.846 8.617 -14.246 1.00 0.53 H new ATOM 0 HA GLU A 517 0.357 8.579 -16.793 1.00 0.60 H new ATOM 0 HB2 GLU A 517 -2.114 8.493 -17.490 1.00 0.68 H new ATOM 0 HB3 GLU A 517 -1.533 7.212 -16.445 1.00 0.68 H new ATOM 0 HG2 GLU A 517 -2.637 8.091 -14.542 1.00 1.72 H new ATOM 0 HG3 GLU A 517 -2.849 9.668 -15.276 1.00 1.72 H new TER 1467 GLU A 517