USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 972 hydrogens (12 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 600 GLN : amide:sc=-0.00386 K(o=-0.046,f=-0.94) USER MOD Set 1.2: A 602 LYS NZ :NH3+ -162:sc= -0.0422 (180deg=-0.295) USER MOD Set 2.1: A 531 SER OG : rot 140:sc= -0.0166 USER MOD Set 2.2: A 584 ASN : amide:sc= -0.0996 K(o=-0.12,f=-0.72!) USER MOD Set 3.1: A 563 MET CE :methyl -105:sc= -2.81 (180deg=-12.3!) USER MOD Set 3.2: A 572 MET CE :methyl 163:sc= -7.41! (180deg=-9.18!) USER MOD Set 4.1: A 553 MET CE :methyl -129:sc= -3.39 (180deg=-3.98!) USER MOD Set 4.2: A 556 THR OG1 : rot -120:sc= -0.106 USER MOD Set 5.1: A 523 HIS : no HD1:sc= -3.31 K(o=-2.8,f=-5!) USER MOD Set 5.2: A 558 GLN : amide:sc= 0.472 K(o=-2.8,f=-5.6) USER MOD Set 5.3: B 2 U O2' : rot 42:sc= 0.043 USER MOD Single : A 512 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 514 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.2) USER MOD Single : A 516 LYS NZ :NH3+ -164:sc= 0.526 (180deg=0.434) USER MOD Single : A 525 CYS SG : rot 156:sc= -1.7! USER MOD Single : A 526 ASN : amide:sc= 0.181 K(o=0.18,f=-1.2) USER MOD Single : A 532 CYS SG : rot 9:sc= -2.12! USER MOD Single : A 533 THR OG1 : rot -120:sc= 1.91 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 539 ASN : amide:sc= -4.86! K(o=-4.9!,f=-1.8) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 103:sc= 0.75 USER MOD Single : A 549 ASN : amide:sc= -1.31 K(o=-1.3,f=-4!) USER MOD Single : A 550 TYR OH : rot 166:sc= 0.115 USER MOD Single : A 554 LYS NZ :NH3+ -121:sc= 0.00198 (180deg=-0.0926) USER MOD Single : A 555 SER OG : rot -84:sc= 0.148 USER MOD Single : A 557 ASN : amide:sc=0.000877 X(o=0.00088,f=-0.26) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.037) USER MOD Single : A 574 GLN : amide:sc=-0.00814 X(o=-0.0081,f=0) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 60:sc= -0.676 USER MOD Single : A 577 GLN : amide:sc= 0.879 K(o=0.88,f=-8.2!) USER MOD Single : A 579 LYS NZ :NH3+ 172:sc=-0.000586 (180deg=-0.0784) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 MET CE :methyl -148:sc= 0 (180deg=-0.263) USER MOD Single : A 593 SER OG : rot 68:sc= -2.62 USER MOD Single : A 594 THR OG1 : rot 120:sc= 0.196 USER MOD Single : A 596 TYR OH : rot 36:sc= 1.21 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 169:sc= -0.0219 (180deg=-0.167) USER MOD Single : A 607 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.72) USER MOD Single : A 613 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.093) USER MOD Single : A 616 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=-0.39) USER MOD Single : A 617 SER OG : rot 38:sc= 1.05 USER MOD Single : A 618 GLN : amide:sc= -0.0785 K(o=-0.079,f=-0.62) USER MOD Single : B 1 ADN O2' : rot 145:sc= 0.0332 USER MOD Single : B 1 ADN O5' : rot -25:sc= 0.987 USER MOD Single : B 3 C O2' : rot 130:sc= -0.556 USER MOD Single : B 4 U O2' : rot 144:sc= 0.728 USER MOD Single : B 5 U O2' : rot -21:sc= 1.24 USER MOD Single : B 6 A O2' : rot 173:sc= 0 USER MOD Single : B 6 A O3' : rot 132:sc= 0.18 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 8.728 -2.103 -9.683 1.00 3.64 O HETATM 2 C5' ADN B 1 8.835 -1.265 -10.839 1.00 3.04 C HETATM 3 C4' ADN B 1 8.902 0.195 -10.455 1.00 2.61 C HETATM 4 O4' ADN B 1 9.604 0.305 -9.187 1.00 3.25 O HETATM 5 C3' ADN B 1 9.667 1.093 -11.421 1.00 2.05 C HETATM 6 O3' ADN B 1 9.126 2.411 -11.439 1.00 2.33 O HETATM 7 C2' ADN B 1 11.085 1.079 -10.862 1.00 2.68 C HETATM 8 O2' ADN B 1 11.789 2.266 -11.170 1.00 3.28 O HETATM 9 C1' ADN B 1 10.802 1.034 -9.361 1.00 3.33 C HETATM 10 N9 ADN B 1 11.858 0.386 -8.589 1.00 4.21 N HETATM 11 C8 ADN B 1 11.905 -0.916 -8.163 1.00 4.58 C HETATM 12 N7 ADN B 1 12.988 -1.215 -7.488 1.00 5.53 N HETATM 13 C5 ADN B 1 13.704 -0.026 -7.467 1.00 5.90 C HETATM 14 C6 ADN B 1 14.942 0.320 -6.907 1.00 7.05 C HETATM 15 N6 ADN B 1 15.707 -0.533 -6.223 1.00 7.92 N HETATM 16 N1 ADN B 1 15.372 1.591 -7.065 1.00 7.44 N HETATM 17 C2 ADN B 1 14.600 2.447 -7.745 1.00 6.72 C HETATM 18 N3 ADN B 1 13.416 2.240 -8.319 1.00 5.56 N HETATM 19 C4 ADN B 1 13.020 0.968 -8.143 1.00 5.16 C HETATM 0 HO5' ADN B 1 9.103 -1.638 -8.906 1.00 3.64 H new HETATM 0 HO2' ADN B 1 12.386 2.495 -10.427 1.00 3.28 H new HETATM 0 HN62 ADN B 1 16.599 -0.222 -5.839 1.00 7.92 H new HETATM 0 HN61 ADN B 1 15.399 -1.496 -6.084 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 9.726 -1.535 -11.405 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 7.979 -1.432 -11.493 1.00 3.04 H new HETATM 0 H8 ADN B 1 11.114 -1.637 -8.367 1.00 4.58 H new HETATM 0 H4' ADN B 1 7.864 0.528 -10.438 1.00 2.61 H new HETATM 0 H3' ADN B 1 9.616 0.751 -12.455 1.00 2.05 H new HETATM 0 H2' ADN B 1 11.697 0.267 -11.256 1.00 2.68 H new HETATM 0 H2 ADN B 1 14.997 3.458 -7.843 1.00 6.72 H new HETATM 0 H1' ADN B 1 10.735 2.059 -8.997 1.00 3.33 H new ATOM 32 P U B 2 9.333 3.349 -12.730 1.00 2.37 P ATOM 33 OP1 U B 2 7.993 3.736 -13.237 1.00 2.99 O ATOM 34 OP2 U B 2 10.289 2.658 -13.634 1.00 2.93 O ATOM 35 O5' U B 2 10.046 4.656 -12.161 1.00 2.04 O ATOM 36 C5' U B 2 10.175 4.878 -10.759 1.00 1.73 C ATOM 37 C4' U B 2 9.100 5.824 -10.274 1.00 1.24 C ATOM 38 O4' U B 2 7.853 5.513 -10.959 1.00 1.07 O ATOM 39 C3' U B 2 8.773 5.723 -8.788 1.00 0.95 C ATOM 40 O3' U B 2 8.361 6.982 -8.264 1.00 0.97 O ATOM 41 C2' U B 2 7.632 4.714 -8.765 1.00 0.83 C ATOM 42 O2' U B 2 6.817 4.865 -7.624 1.00 1.12 O ATOM 43 C1' U B 2 6.867 5.169 -10.005 1.00 0.74 C ATOM 44 N1 U B 2 5.979 4.149 -10.580 1.00 0.76 N ATOM 45 C2 U B 2 4.665 4.504 -10.834 1.00 1.11 C ATOM 46 O2 U B 2 4.215 5.609 -10.580 1.00 1.49 O ATOM 47 N3 U B 2 3.890 3.512 -11.381 1.00 1.23 N ATOM 48 C4 U B 2 4.284 2.229 -11.691 1.00 1.12 C ATOM 49 O4 U B 2 3.465 1.440 -12.167 1.00 1.35 O ATOM 50 C5 U B 2 5.653 1.941 -11.400 1.00 1.05 C ATOM 51 C6 U B 2 6.438 2.883 -10.867 1.00 0.89 C ATOM 0 H5' U B 2 11.159 5.292 -10.539 1.00 1.73 H new ATOM 0 H5'' U B 2 10.102 3.930 -10.226 1.00 1.73 H new ATOM 0 H4' U B 2 9.495 6.820 -10.476 1.00 1.24 H new ATOM 0 H3' U B 2 9.625 5.426 -8.176 1.00 0.95 H new ATOM 0 H2' U B 2 7.954 3.673 -8.747 1.00 0.83 H new ATOM 0 HO2' U B 2 6.665 5.818 -7.454 1.00 1.12 H new ATOM 0 H1' U B 2 6.212 5.995 -9.726 1.00 0.74 H new ATOM 0 H3 U B 2 2.918 3.750 -11.579 1.00 1.23 H new ATOM 0 H5 U B 2 6.054 0.961 -11.611 1.00 1.05 H new ATOM 0 H6 U B 2 7.469 2.642 -10.654 1.00 0.89 H new ATOM 62 P C B 3 9.072 7.602 -6.962 1.00 1.05 P ATOM 63 OP1 C B 3 8.886 9.076 -7.024 1.00 1.58 O ATOM 64 OP2 C B 3 10.443 7.039 -6.855 1.00 1.17 O ATOM 65 O5' C B 3 8.210 7.041 -5.744 1.00 1.07 O ATOM 66 C5' C B 3 7.666 7.915 -4.756 1.00 0.98 C ATOM 67 C4' C B 3 7.913 7.370 -3.368 1.00 0.86 C ATOM 68 O4' C B 3 8.147 5.935 -3.449 1.00 0.90 O ATOM 69 C3' C B 3 9.133 7.943 -2.654 1.00 0.69 C ATOM 70 O3' C B 3 8.884 8.092 -1.260 1.00 0.87 O ATOM 71 C2' C B 3 10.220 6.912 -2.930 1.00 0.63 C ATOM 72 O2' C B 3 11.205 6.892 -1.913 1.00 0.82 O ATOM 73 C1' C B 3 9.402 5.625 -2.874 1.00 0.75 C ATOM 74 N1 C B 3 10.000 4.504 -3.614 1.00 0.69 N ATOM 75 C2 C B 3 10.724 3.533 -2.912 1.00 0.96 C ATOM 76 O2 C B 3 10.861 3.652 -1.683 1.00 1.32 O ATOM 77 N3 C B 3 11.262 2.492 -3.588 1.00 0.95 N ATOM 78 C4 C B 3 11.097 2.399 -4.910 1.00 0.70 C ATOM 79 N4 C B 3 11.634 1.349 -5.534 1.00 0.76 N ATOM 80 C5 C B 3 10.366 3.373 -5.651 1.00 0.69 C ATOM 81 C6 C B 3 9.841 4.398 -4.968 1.00 0.67 C ATOM 0 H5' C B 3 6.595 8.036 -4.920 1.00 0.98 H new ATOM 0 H5'' C B 3 8.116 8.903 -4.850 1.00 0.98 H new ATOM 0 H4' C B 3 7.023 7.648 -2.803 1.00 0.86 H new ATOM 0 H3' C B 3 9.408 8.939 -3.001 1.00 0.69 H new ATOM 0 H2' C B 3 10.768 7.091 -3.855 1.00 0.63 H new ATOM 0 HO2' C B 3 11.351 5.969 -1.617 1.00 0.82 H new ATOM 0 H1' C B 3 9.341 5.296 -1.837 1.00 0.75 H new ATOM 0 H41 C B 3 11.527 1.246 -6.543 1.00 0.76 H new ATOM 0 H42 C B 3 12.151 0.649 -5.002 1.00 0.76 H new ATOM 0 H5 C B 3 10.241 3.288 -6.720 1.00 0.69 H new ATOM 0 H6 C B 3 9.281 5.155 -5.497 1.00 0.67 H new ATOM 93 P U B 4 9.321 9.439 -0.497 1.00 0.75 P ATOM 94 OP1 U B 4 9.305 10.544 -1.491 1.00 1.02 O ATOM 95 OP2 U B 4 10.565 9.159 0.263 1.00 1.15 O ATOM 96 O5' U B 4 8.146 9.693 0.549 1.00 0.71 O ATOM 97 C5' U B 4 7.161 10.696 0.312 1.00 0.76 C ATOM 98 C4' U B 4 6.210 10.790 1.482 1.00 0.65 C ATOM 99 O4' U B 4 5.958 9.453 1.992 1.00 0.61 O ATOM 100 C3' U B 4 6.726 11.584 2.676 1.00 0.67 C ATOM 101 O3' U B 4 5.661 12.228 3.367 1.00 0.79 O ATOM 102 C2' U B 4 7.395 10.518 3.537 1.00 0.63 C ATOM 103 O2' U B 4 7.397 10.862 4.909 1.00 0.77 O ATOM 104 C1' U B 4 6.455 9.337 3.312 1.00 0.58 C ATOM 105 N1 U B 4 7.118 8.033 3.448 1.00 0.58 N ATOM 106 C2 U B 4 7.347 7.553 4.725 1.00 0.66 C ATOM 107 O2 U B 4 7.014 8.158 5.731 1.00 0.71 O ATOM 108 N3 U B 4 7.978 6.336 4.783 1.00 0.75 N ATOM 109 C4 U B 4 8.392 5.568 3.719 1.00 0.79 C ATOM 110 O4 U B 4 8.937 4.487 3.931 1.00 0.93 O ATOM 111 C5 U B 4 8.123 6.133 2.435 1.00 0.72 C ATOM 112 C6 U B 4 7.511 7.316 2.341 1.00 0.62 C ATOM 0 H5' U B 4 6.607 10.462 -0.597 1.00 0.76 H new ATOM 0 H5'' U B 4 7.645 11.659 0.151 1.00 0.76 H new ATOM 0 H4' U B 4 5.332 11.300 1.084 1.00 0.65 H new ATOM 0 H3' U B 4 7.406 12.389 2.396 1.00 0.67 H new ATOM 0 H2' U B 4 8.441 10.351 3.281 1.00 0.63 H new ATOM 0 HO2' U B 4 7.274 10.054 5.449 1.00 0.77 H new ATOM 0 H1' U B 4 5.672 9.372 4.069 1.00 0.58 H new ATOM 0 H3 U B 4 8.160 5.961 5.714 1.00 0.75 H new ATOM 0 H5 U B 4 8.415 5.603 1.540 1.00 0.72 H new ATOM 0 H6 U B 4 7.317 7.725 1.360 1.00 0.62 H new ATOM 123 P U B 5 5.069 13.616 2.812 1.00 0.85 P ATOM 124 OP1 U B 5 5.819 13.969 1.578 1.00 1.03 O ATOM 125 OP2 U B 5 5.017 14.582 3.940 1.00 1.33 O ATOM 126 O5' U B 5 3.572 13.263 2.399 1.00 0.85 O ATOM 127 C5' U B 5 3.109 13.484 1.068 1.00 0.75 C ATOM 128 C4' U B 5 1.730 12.894 0.889 1.00 0.55 C ATOM 129 O4' U B 5 1.633 11.676 1.677 1.00 0.43 O ATOM 130 C3' U B 5 0.577 13.776 1.359 1.00 0.55 C ATOM 131 O3' U B 5 -0.569 13.601 0.530 1.00 0.57 O ATOM 132 C2' U B 5 0.319 13.290 2.780 1.00 0.48 C ATOM 133 O2' U B 5 -1.023 13.489 3.177 1.00 0.53 O ATOM 134 C1' U B 5 0.578 11.796 2.609 1.00 0.37 C ATOM 135 N1 U B 5 0.958 11.108 3.853 1.00 0.37 N ATOM 136 C2 U B 5 -0.004 10.329 4.470 1.00 0.37 C ATOM 137 O2 U B 5 -1.134 10.196 4.030 1.00 0.40 O ATOM 138 N3 U B 5 0.408 9.702 5.618 1.00 0.43 N ATOM 139 C4 U B 5 1.655 9.772 6.199 1.00 0.48 C ATOM 140 O4 U B 5 1.870 9.158 7.244 1.00 0.56 O ATOM 141 C5 U B 5 2.593 10.596 5.499 1.00 0.49 C ATOM 142 C6 U B 5 2.226 11.225 4.377 1.00 0.44 C ATOM 0 H5' U B 5 3.800 13.034 0.356 1.00 0.75 H new ATOM 0 H5'' U B 5 3.085 14.553 0.857 1.00 0.75 H new ATOM 0 H4' U B 5 1.629 12.749 -0.187 1.00 0.55 H new ATOM 0 H3' U B 5 0.804 14.841 1.314 1.00 0.55 H new ATOM 0 H2' U B 5 0.920 13.801 3.532 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.431 14.181 2.616 1.00 0.53 H new ATOM 0 H1' U B 5 -0.347 11.323 2.279 1.00 0.37 H new ATOM 0 H3 U B 5 -0.283 9.121 6.093 1.00 0.43 H new ATOM 0 H5 U B 5 3.598 10.710 5.877 1.00 0.49 H new ATOM 0 H6 U B 5 2.948 11.845 3.865 1.00 0.44 H new ATOM 153 P A B 6 -0.721 14.449 -0.827 1.00 0.96 P ATOM 154 OP1 A B 6 -0.083 13.683 -1.928 1.00 1.91 O ATOM 155 OP2 A B 6 -0.273 15.838 -0.546 1.00 1.79 O ATOM 156 O5' A B 6 -2.293 14.470 -1.088 1.00 1.70 O ATOM 157 C5' A B 6 -3.141 15.451 -0.489 1.00 2.27 C ATOM 158 C4' A B 6 -3.238 15.221 1.001 1.00 2.74 C ATOM 159 O4' A B 6 -1.952 15.537 1.596 1.00 2.62 O ATOM 160 C3' A B 6 -4.243 16.103 1.733 1.00 3.36 C ATOM 161 O3' A B 6 -4.786 15.441 2.879 1.00 4.05 O ATOM 162 C2' A B 6 -3.410 17.316 2.129 1.00 3.45 C ATOM 163 O2' A B 6 -3.916 17.944 3.292 1.00 4.23 O ATOM 164 C1' A B 6 -2.073 16.653 2.455 1.00 3.13 C ATOM 165 N9 A B 6 -0.909 17.511 2.234 1.00 3.07 N ATOM 166 C8 A B 6 -0.858 18.713 1.573 1.00 3.68 C ATOM 167 N7 A B 6 0.344 19.233 1.511 1.00 3.79 N ATOM 168 C5 A B 6 1.138 18.313 2.178 1.00 3.15 C ATOM 169 C6 A B 6 2.514 18.283 2.458 1.00 3.12 C ATOM 170 N6 A B 6 3.362 19.243 2.089 1.00 3.76 N ATOM 171 N1 A B 6 2.993 17.222 3.142 1.00 2.64 N ATOM 172 C2 A B 6 2.137 16.262 3.515 1.00 2.25 C ATOM 173 N3 A B 6 0.824 16.179 3.311 1.00 2.28 N ATOM 174 C4 A B 6 0.381 17.248 2.629 1.00 2.69 C ATOM 0 H5' A B 6 -4.134 15.405 -0.936 1.00 2.27 H new ATOM 0 H5'' A B 6 -2.749 16.449 -0.685 1.00 2.27 H new ATOM 0 H4' A B 6 -3.556 14.184 1.106 1.00 2.74 H new ATOM 0 H3' A B 6 -5.110 16.360 1.124 1.00 3.36 H new ATOM 0 H2' A B 6 -3.381 18.092 1.364 1.00 3.45 H new ATOM 0 HO2' A B 6 -3.296 18.646 3.581 1.00 4.23 H new ATOM 0 HO3' A B 6 -4.744 16.040 3.653 1.00 4.05 H new ATOM 0 H1' A B 6 -2.080 16.401 3.515 1.00 3.13 H new ATOM 0 H8 A B 6 -1.728 19.187 1.143 1.00 3.68 H new ATOM 0 H61 A B 6 4.352 19.166 2.321 1.00 3.76 H new ATOM 0 H62 A B 6 3.021 20.055 1.574 1.00 3.76 H new ATOM 0 H2 A B 6 2.574 15.438 4.059 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 20.427 -11.460 -1.149 1.00 8.88 N ATOM 189 CA GLY A 510 19.559 -10.624 -2.012 1.00 8.14 C ATOM 190 C GLY A 510 18.296 -11.357 -2.408 1.00 7.17 C ATOM 191 O GLY A 510 18.145 -12.537 -2.085 1.00 7.17 O ATOM 0 HA2 GLY A 510 19.298 -9.706 -1.486 1.00 8.14 H new ATOM 0 HA3 GLY A 510 20.108 -10.333 -2.908 1.00 8.14 H new ATOM 197 N ALA A 511 17.399 -10.656 -3.108 1.00 6.63 N ATOM 198 CA ALA A 511 16.119 -11.213 -3.555 1.00 5.95 C ATOM 199 C ALA A 511 15.201 -11.523 -2.370 1.00 5.06 C ATOM 200 O ALA A 511 14.279 -10.762 -2.076 1.00 5.04 O ATOM 201 CB ALA A 511 16.326 -12.449 -4.424 1.00 6.64 C ATOM 0 H ALA A 511 17.541 -9.684 -3.381 1.00 6.63 H new ATOM 0 HA ALA A 511 15.629 -10.455 -4.165 1.00 5.95 H new ATOM 0 HB1 ALA A 511 15.358 -12.838 -4.739 1.00 6.64 H new ATOM 0 HB2 ALA A 511 16.913 -12.182 -5.302 1.00 6.64 H new ATOM 0 HB3 ALA A 511 16.855 -13.211 -3.852 1.00 6.64 H new ATOM 207 N MET A 512 15.460 -12.627 -1.689 1.00 4.71 N ATOM 208 CA MET A 512 14.686 -12.997 -0.514 1.00 4.26 C ATOM 209 C MET A 512 15.453 -12.610 0.744 1.00 3.49 C ATOM 210 O MET A 512 16.548 -12.049 0.650 1.00 3.57 O ATOM 211 CB MET A 512 14.379 -14.499 -0.511 1.00 4.93 C ATOM 212 CG MET A 512 15.609 -15.382 -0.374 1.00 5.06 C ATOM 213 SD MET A 512 15.193 -17.131 -0.260 1.00 5.85 S ATOM 214 CE MET A 512 16.823 -17.849 -0.060 1.00 6.33 C ATOM 0 H MET A 512 16.202 -13.284 -1.930 1.00 4.71 H new ATOM 0 HA MET A 512 13.737 -12.461 -0.537 1.00 4.26 H new ATOM 0 HB2 MET A 512 13.694 -14.718 0.309 1.00 4.93 H new ATOM 0 HB3 MET A 512 13.862 -14.755 -1.436 1.00 4.93 H new ATOM 0 HG2 MET A 512 16.264 -15.223 -1.231 1.00 5.06 H new ATOM 0 HG3 MET A 512 16.168 -15.086 0.514 1.00 5.06 H new ATOM 0 HE1 MET A 512 16.736 -18.932 0.025 1.00 6.33 H new ATOM 0 HE2 MET A 512 17.438 -17.601 -0.925 1.00 6.33 H new ATOM 0 HE3 MET A 512 17.288 -17.451 0.842 1.00 6.33 H new ATOM 224 N ALA A 513 14.882 -12.906 1.911 1.00 3.37 N ATOM 225 CA ALA A 513 15.498 -12.554 3.192 1.00 3.26 C ATOM 226 C ALA A 513 15.699 -11.046 3.289 1.00 2.63 C ATOM 227 O ALA A 513 16.763 -10.564 3.689 1.00 3.17 O ATOM 228 CB ALA A 513 16.821 -13.290 3.381 1.00 4.20 C ATOM 0 H ALA A 513 13.989 -13.391 1.997 1.00 3.37 H new ATOM 0 HA ALA A 513 14.825 -12.864 3.992 1.00 3.26 H new ATOM 0 HB1 ALA A 513 17.259 -13.012 4.340 1.00 4.20 H new ATOM 0 HB2 ALA A 513 16.645 -14.366 3.361 1.00 4.20 H new ATOM 0 HB3 ALA A 513 17.506 -13.019 2.577 1.00 4.20 H new ATOM 234 N GLN A 514 14.669 -10.308 2.907 1.00 1.97 N ATOM 235 CA GLN A 514 14.725 -8.857 2.900 1.00 1.53 C ATOM 236 C GLN A 514 14.640 -8.311 4.318 1.00 1.41 C ATOM 237 O GLN A 514 14.152 -8.985 5.229 1.00 1.94 O ATOM 238 CB GLN A 514 13.590 -8.289 2.051 1.00 1.48 C ATOM 239 CG GLN A 514 13.620 -8.760 0.607 1.00 1.76 C ATOM 240 CD GLN A 514 12.532 -8.129 -0.237 1.00 2.06 C ATOM 241 OE1 GLN A 514 12.027 -8.739 -1.181 1.00 2.88 O ATOM 242 NE2 GLN A 514 12.180 -6.893 0.076 1.00 2.17 N ATOM 0 H GLN A 514 13.778 -10.695 2.596 1.00 1.97 H new ATOM 0 HA GLN A 514 15.678 -8.552 2.467 1.00 1.53 H new ATOM 0 HB2 GLN A 514 12.637 -8.571 2.497 1.00 1.48 H new ATOM 0 HB3 GLN A 514 13.641 -7.200 2.071 1.00 1.48 H new ATOM 0 HG2 GLN A 514 14.592 -8.526 0.173 1.00 1.76 H new ATOM 0 HG3 GLN A 514 13.512 -9.844 0.581 1.00 1.76 H new ATOM 0 HE21 GLN A 514 12.622 -6.421 0.865 1.00 2.17 H new ATOM 0 HE22 GLN A 514 11.467 -6.412 -0.472 1.00 2.17 H new ATOM 251 N ARG A 515 15.103 -7.084 4.495 1.00 1.22 N ATOM 252 CA ARG A 515 15.172 -6.461 5.808 1.00 1.19 C ATOM 253 C ARG A 515 13.833 -5.830 6.176 1.00 1.13 C ATOM 254 O ARG A 515 13.755 -4.645 6.499 1.00 1.84 O ATOM 255 CB ARG A 515 16.293 -5.411 5.846 1.00 1.39 C ATOM 256 CG ARG A 515 17.700 -5.995 5.973 1.00 1.59 C ATOM 257 CD ARG A 515 18.070 -6.900 4.803 1.00 1.75 C ATOM 258 NE ARG A 515 18.096 -6.187 3.524 1.00 2.36 N ATOM 259 CZ ARG A 515 18.076 -6.792 2.332 1.00 3.12 C ATOM 260 NH1 ARG A 515 17.988 -8.115 2.254 1.00 3.44 N ATOM 261 NH2 ARG A 515 18.137 -6.072 1.220 1.00 4.00 N ATOM 0 H ARG A 515 15.441 -6.493 3.735 1.00 1.22 H new ATOM 0 HA ARG A 515 15.398 -7.234 6.543 1.00 1.19 H new ATOM 0 HB2 ARG A 515 16.243 -4.810 4.938 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.115 -4.737 6.684 1.00 1.39 H new ATOM 0 HG2 ARG A 515 18.422 -5.181 6.040 1.00 1.59 H new ATOM 0 HG3 ARG A 515 17.771 -6.561 6.902 1.00 1.59 H new ATOM 0 HD2 ARG A 515 19.049 -7.343 4.987 1.00 1.75 H new ATOM 0 HD3 ARG A 515 17.355 -7.720 4.743 1.00 1.75 H new ATOM 0 HE ARG A 515 18.131 -5.168 3.544 1.00 2.36 H new ATOM 0 HH11 ARG A 515 17.935 -8.674 3.106 1.00 3.44 H new ATOM 0 HH12 ARG A 515 17.973 -8.572 1.342 1.00 3.44 H new ATOM 0 HH21 ARG A 515 18.199 -5.055 1.273 1.00 4.00 H new ATOM 0 HH22 ARG A 515 18.122 -6.535 0.311 1.00 4.00 H new ATOM 275 N LYS A 516 12.780 -6.635 6.112 1.00 0.82 N ATOM 276 CA LYS A 516 11.442 -6.181 6.454 1.00 0.79 C ATOM 277 C LYS A 516 10.938 -6.939 7.680 1.00 0.90 C ATOM 278 O LYS A 516 9.735 -7.014 7.941 1.00 1.11 O ATOM 279 CB LYS A 516 10.477 -6.398 5.279 1.00 0.97 C ATOM 280 CG LYS A 516 10.960 -5.844 3.942 1.00 1.06 C ATOM 281 CD LYS A 516 11.289 -4.358 4.008 1.00 1.07 C ATOM 282 CE LYS A 516 11.578 -3.803 2.620 1.00 1.24 C ATOM 283 NZ LYS A 516 12.243 -2.471 2.663 1.00 1.89 N ATOM 0 H LYS A 516 12.830 -7.612 5.824 1.00 0.82 H new ATOM 0 HA LYS A 516 11.485 -5.115 6.676 1.00 0.79 H new ATOM 0 HB2 LYS A 516 10.296 -7.467 5.169 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.520 -5.936 5.523 1.00 0.97 H new ATOM 0 HG2 LYS A 516 11.845 -6.394 3.623 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.192 -6.009 3.186 1.00 1.06 H new ATOM 0 HD2 LYS A 516 10.455 -3.816 4.454 1.00 1.07 H new ATOM 0 HD3 LYS A 516 12.153 -4.201 4.654 1.00 1.07 H new ATOM 0 HE2 LYS A 516 12.212 -4.504 2.077 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.644 -3.721 2.064 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 12.175 -2.019 1.729 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 11.775 -1.872 3.373 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 13.244 -2.591 2.917 1.00 1.89 H new ATOM 297 N GLY A 517 11.872 -7.496 8.439 1.00 0.96 N ATOM 298 CA GLY A 517 11.514 -8.315 9.581 1.00 1.13 C ATOM 299 C GLY A 517 11.412 -7.523 10.867 1.00 1.25 C ATOM 300 O GLY A 517 11.878 -7.968 11.916 1.00 2.04 O ATOM 0 H GLY A 517 12.875 -7.395 8.284 1.00 0.96 H new ATOM 0 HA2 GLY A 517 10.560 -8.805 9.385 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.257 -9.103 9.704 1.00 1.13 H new ATOM 304 N ALA A 518 10.791 -6.356 10.774 1.00 1.01 N ATOM 305 CA ALA A 518 10.599 -5.463 11.913 1.00 1.14 C ATOM 306 C ALA A 518 9.754 -4.288 11.479 1.00 1.08 C ATOM 307 O ALA A 518 8.827 -3.856 12.164 1.00 1.75 O ATOM 308 CB ALA A 518 11.934 -4.981 12.464 1.00 1.41 C ATOM 0 H ALA A 518 10.403 -5.998 9.901 1.00 1.01 H new ATOM 0 HA ALA A 518 10.092 -6.008 12.709 1.00 1.14 H new ATOM 0 HB1 ALA A 518 11.760 -4.318 13.311 1.00 1.41 H new ATOM 0 HB2 ALA A 518 12.524 -5.838 12.789 1.00 1.41 H new ATOM 0 HB3 ALA A 518 12.475 -4.442 11.687 1.00 1.41 H new ATOM 314 N GLY A 519 10.101 -3.802 10.316 1.00 0.67 N ATOM 315 CA GLY A 519 9.357 -2.758 9.660 1.00 0.60 C ATOM 316 C GLY A 519 9.212 -3.080 8.196 1.00 0.50 C ATOM 317 O GLY A 519 10.092 -3.724 7.623 1.00 0.51 O ATOM 0 H GLY A 519 10.916 -4.123 9.792 1.00 0.67 H new ATOM 0 HA2 GLY A 519 8.374 -2.656 10.119 1.00 0.60 H new ATOM 0 HA3 GLY A 519 9.867 -1.803 9.783 1.00 0.60 H new ATOM 321 N ARG A 520 8.119 -2.666 7.576 1.00 0.46 N ATOM 322 CA ARG A 520 7.945 -2.927 6.157 1.00 0.40 C ATOM 323 C ARG A 520 7.461 -1.686 5.438 1.00 0.34 C ATOM 324 O ARG A 520 6.573 -0.984 5.911 1.00 0.36 O ATOM 325 CB ARG A 520 6.944 -4.067 5.921 1.00 0.44 C ATOM 326 CG ARG A 520 7.332 -5.377 6.584 1.00 0.56 C ATOM 327 CD ARG A 520 6.370 -5.747 7.700 1.00 0.64 C ATOM 328 NE ARG A 520 6.172 -4.647 8.642 1.00 0.93 N ATOM 329 CZ ARG A 520 6.212 -4.774 9.965 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.456 -5.957 10.517 1.00 2.13 N ATOM 331 NH2 ARG A 520 6.014 -3.712 10.736 1.00 2.22 N ATOM 0 H ARG A 520 7.354 -2.159 8.021 1.00 0.46 H new ATOM 0 HA ARG A 520 8.917 -3.220 5.760 1.00 0.40 H new ATOM 0 HB2 ARG A 520 5.966 -3.760 6.291 1.00 0.44 H new ATOM 0 HB3 ARG A 520 6.842 -4.231 4.848 1.00 0.44 H new ATOM 0 HG2 ARG A 520 7.348 -6.172 5.838 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.342 -5.297 6.986 1.00 0.56 H new ATOM 0 HD2 ARG A 520 5.410 -6.033 7.270 1.00 0.64 H new ATOM 0 HD3 ARG A 520 6.752 -6.617 8.234 1.00 0.64 H new ATOM 0 HE ARG A 520 5.991 -3.719 8.259 1.00 0.93 H new ATOM 0 HH11 ARG A 520 6.614 -6.773 9.926 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.486 -6.050 11.532 1.00 2.13 H new ATOM 0 HH21 ARG A 520 5.832 -2.802 10.313 1.00 2.22 H new ATOM 0 HH22 ARG A 520 6.044 -3.806 11.751 1.00 2.22 H new ATOM 345 N VAL A 521 8.064 -1.415 4.297 1.00 0.29 N ATOM 346 CA VAL A 521 7.560 -0.402 3.398 1.00 0.24 C ATOM 347 C VAL A 521 7.116 -1.061 2.106 1.00 0.21 C ATOM 348 O VAL A 521 7.922 -1.681 1.401 1.00 0.23 O ATOM 349 CB VAL A 521 8.616 0.681 3.107 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.076 1.752 2.182 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.087 1.303 4.399 1.00 0.32 C ATOM 0 H VAL A 521 8.908 -1.886 3.972 1.00 0.29 H new ATOM 0 HA VAL A 521 6.714 0.091 3.876 1.00 0.24 H new ATOM 0 HB VAL A 521 9.457 0.201 2.607 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.849 2.499 1.999 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.778 1.299 1.236 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.212 2.230 2.644 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.833 2.068 4.184 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.240 1.757 4.914 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.528 0.534 5.034 1.00 0.32 H new ATOM 361 N VAL A 522 5.844 -0.936 1.803 1.00 0.20 N ATOM 362 CA VAL A 522 5.289 -1.495 0.590 1.00 0.18 C ATOM 363 C VAL A 522 4.674 -0.359 -0.204 1.00 0.18 C ATOM 364 O VAL A 522 3.829 0.368 0.313 1.00 0.19 O ATOM 365 CB VAL A 522 4.222 -2.565 0.899 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.779 -3.280 -0.366 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.730 -3.558 1.934 1.00 0.22 C ATOM 0 H VAL A 522 5.167 -0.446 2.387 1.00 0.20 H new ATOM 0 HA VAL A 522 6.079 -1.984 0.020 1.00 0.18 H new ATOM 0 HB VAL A 522 3.353 -2.057 1.317 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.027 -4.028 -0.117 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.355 -2.557 -1.063 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.637 -3.768 -0.828 1.00 0.21 H new ATOM 0 HG21 VAL A 522 3.959 -4.302 2.134 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.623 -4.054 1.554 1.00 0.22 H new ATOM 0 HG23 VAL A 522 4.973 -3.030 2.856 1.00 0.22 H new ATOM 377 N HIS A 523 5.101 -0.177 -1.437 1.00 0.18 N ATOM 378 CA HIS A 523 4.668 0.958 -2.222 1.00 0.18 C ATOM 379 C HIS A 523 3.651 0.513 -3.258 1.00 0.17 C ATOM 380 O HIS A 523 3.886 -0.430 -4.015 1.00 0.18 O ATOM 381 CB HIS A 523 5.880 1.590 -2.915 1.00 0.20 C ATOM 382 CG HIS A 523 5.555 2.746 -3.811 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.232 2.595 -5.140 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.541 4.077 -3.572 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.038 3.782 -5.677 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.218 4.702 -4.750 1.00 0.37 N ATOM 0 H HIS A 523 5.749 -0.802 -1.917 1.00 0.18 H new ATOM 0 HA HIS A 523 4.203 1.695 -1.567 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.584 1.925 -2.153 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.387 0.824 -3.502 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.746 4.559 -2.628 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.775 3.971 -6.707 1.00 0.44 H new ATOM 0 HE2 HIS A 523 5.132 5.709 -4.886 1.00 0.37 H new ATOM 395 N ILE A 524 2.537 1.204 -3.282 1.00 0.16 N ATOM 396 CA ILE A 524 1.477 0.931 -4.222 1.00 0.16 C ATOM 397 C ILE A 524 1.390 2.093 -5.195 1.00 0.17 C ATOM 398 O ILE A 524 1.549 3.247 -4.802 1.00 0.19 O ATOM 399 CB ILE A 524 0.132 0.743 -3.492 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.301 -0.277 -2.359 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.955 0.303 -4.468 1.00 0.18 C ATOM 402 CD1 ILE A 524 -0.966 -0.557 -1.583 1.00 0.18 C ATOM 0 H ILE A 524 2.339 1.976 -2.646 1.00 0.16 H new ATOM 0 HA ILE A 524 1.693 0.007 -4.759 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.178 1.696 -3.063 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.670 -1.212 -2.779 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.063 0.086 -1.670 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.896 0.176 -3.932 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.078 1.061 -5.242 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.669 -0.643 -4.928 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.760 -1.288 -0.801 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.327 0.366 -1.130 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.726 -0.952 -2.257 1.00 0.18 H new ATOM 414 N CYS A 525 1.177 1.803 -6.458 1.00 0.17 N ATOM 415 CA CYS A 525 1.133 2.852 -7.454 1.00 0.18 C ATOM 416 C CYS A 525 0.011 2.626 -8.442 1.00 0.15 C ATOM 417 O CYS A 525 -0.575 1.539 -8.491 1.00 0.16 O ATOM 418 CB CYS A 525 2.474 2.956 -8.182 1.00 0.29 C ATOM 419 SG CYS A 525 3.135 1.376 -8.752 1.00 1.17 S ATOM 0 H CYS A 525 1.033 0.860 -6.819 1.00 0.17 H new ATOM 0 HA CYS A 525 0.940 3.793 -6.939 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.358 3.619 -9.040 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.201 3.421 -7.516 1.00 0.29 H new ATOM 0 HG CYS A 525 3.948 1.579 -9.746 1.00 1.17 H new ATOM 425 N ASN A 526 -0.282 3.685 -9.192 1.00 0.15 N ATOM 426 CA ASN A 526 -1.279 3.676 -10.270 1.00 0.16 C ATOM 427 C ASN A 526 -2.655 3.968 -9.705 1.00 0.15 C ATOM 428 O ASN A 526 -3.677 3.600 -10.283 1.00 0.18 O ATOM 429 CB ASN A 526 -1.280 2.364 -11.076 1.00 0.19 C ATOM 430 CG ASN A 526 0.001 2.163 -11.865 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.657 3.125 -12.264 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.364 0.910 -12.101 1.00 0.26 N ATOM 0 H ASN A 526 0.171 4.590 -9.069 1.00 0.15 H new ATOM 0 HA ASN A 526 -1.003 4.462 -10.972 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.419 1.524 -10.395 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.128 2.363 -11.761 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.214 0.716 -12.630 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.207 0.140 -11.753 1.00 0.26 H new ATOM 439 N LEU A 527 -2.660 4.672 -8.585 1.00 0.15 N ATOM 440 CA LEU A 527 -3.891 5.112 -7.961 1.00 0.17 C ATOM 441 C LEU A 527 -4.323 6.420 -8.608 1.00 0.22 C ATOM 442 O LEU A 527 -3.535 7.362 -8.681 1.00 0.25 O ATOM 443 CB LEU A 527 -3.687 5.310 -6.452 1.00 0.15 C ATOM 444 CG LEU A 527 -3.512 4.031 -5.630 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.057 4.360 -4.217 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.816 3.257 -5.586 1.00 0.21 C ATOM 0 H LEU A 527 -1.815 4.952 -8.087 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.663 4.355 -8.101 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.809 5.938 -6.303 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.542 5.859 -6.058 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.748 3.417 -6.107 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.938 3.437 -3.649 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.104 4.888 -4.255 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.802 4.991 -3.733 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.680 2.349 -4.999 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.590 3.873 -5.128 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.116 2.992 -6.600 1.00 0.21 H new ATOM 458 N PRO A 528 -5.554 6.499 -9.124 1.00 0.26 N ATOM 459 CA PRO A 528 -6.044 7.725 -9.741 1.00 0.33 C ATOM 460 C PRO A 528 -6.365 8.780 -8.693 1.00 0.34 C ATOM 461 O PRO A 528 -7.015 8.486 -7.687 1.00 0.32 O ATOM 462 CB PRO A 528 -7.327 7.289 -10.469 1.00 0.38 C ATOM 463 CG PRO A 528 -7.410 5.800 -10.328 1.00 0.37 C ATOM 464 CD PRO A 528 -6.550 5.425 -9.157 1.00 0.29 C ATOM 0 HA PRO A 528 -5.306 8.174 -10.406 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.203 7.769 -10.033 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.295 7.578 -11.519 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.441 5.484 -10.167 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -7.063 5.306 -11.236 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.125 5.379 -8.232 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -6.086 4.448 -9.293 1.00 0.29 H new ATOM 472 N GLU A 529 -5.919 10.007 -8.930 1.00 0.41 N ATOM 473 CA GLU A 529 -6.215 11.114 -8.033 1.00 0.46 C ATOM 474 C GLU A 529 -7.711 11.382 -8.034 1.00 0.47 C ATOM 475 O GLU A 529 -8.353 11.333 -9.085 1.00 0.53 O ATOM 476 CB GLU A 529 -5.440 12.365 -8.445 1.00 0.57 C ATOM 477 CG GLU A 529 -5.742 13.582 -7.586 1.00 0.66 C ATOM 478 CD GLU A 529 -4.900 14.788 -7.949 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.434 14.865 -9.106 1.00 1.60 O ATOM 480 OE2 GLU A 529 -4.705 15.669 -7.087 1.00 1.41 O ATOM 0 H GLU A 529 -5.350 10.260 -9.738 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.903 10.847 -7.023 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.372 12.153 -8.396 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.671 12.599 -9.484 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.797 13.839 -7.687 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.574 13.331 -6.539 1.00 0.66 H new ATOM 487 N GLY A 530 -8.269 11.647 -6.863 1.00 0.46 N ATOM 488 CA GLY A 530 -9.704 11.765 -6.750 1.00 0.48 C ATOM 489 C GLY A 530 -10.337 10.419 -6.495 1.00 0.43 C ATOM 490 O GLY A 530 -11.557 10.296 -6.413 1.00 0.46 O ATOM 0 H GLY A 530 -7.755 11.782 -5.993 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.954 12.448 -5.938 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -10.111 12.195 -7.665 1.00 0.48 H new ATOM 494 N SER A 531 -9.492 9.409 -6.349 1.00 0.37 N ATOM 495 CA SER A 531 -9.940 8.033 -6.215 1.00 0.35 C ATOM 496 C SER A 531 -8.980 7.246 -5.326 1.00 0.28 C ATOM 497 O SER A 531 -9.154 6.045 -5.110 1.00 0.30 O ATOM 498 CB SER A 531 -10.028 7.385 -7.595 1.00 0.40 C ATOM 499 OG SER A 531 -10.933 8.088 -8.427 1.00 1.08 O ATOM 0 H SER A 531 -8.479 9.521 -6.320 1.00 0.37 H new ATOM 0 HA SER A 531 -10.926 8.025 -5.751 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.041 7.369 -8.057 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.350 6.349 -7.495 1.00 0.40 H new ATOM 0 HG SER A 531 -10.568 8.141 -9.335 1.00 1.08 H new ATOM 505 N CYS A 532 -7.974 7.938 -4.801 1.00 0.24 N ATOM 506 CA CYS A 532 -7.005 7.316 -3.915 1.00 0.20 C ATOM 507 C CYS A 532 -7.517 7.425 -2.495 1.00 0.18 C ATOM 508 O CYS A 532 -7.187 8.374 -1.786 1.00 0.21 O ATOM 509 CB CYS A 532 -5.638 8.009 -4.002 1.00 0.21 C ATOM 510 SG CYS A 532 -4.987 8.211 -5.670 1.00 0.25 S ATOM 0 H CYS A 532 -7.811 8.930 -4.976 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.879 6.275 -4.212 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.716 8.992 -3.538 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.920 7.436 -3.415 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.901 7.885 -6.535 1.00 0.25 H new ATOM 516 N THR A 533 -8.339 6.488 -2.078 1.00 0.17 N ATOM 517 CA THR A 533 -8.887 6.558 -0.745 1.00 0.18 C ATOM 518 C THR A 533 -8.061 5.685 0.174 1.00 0.17 C ATOM 519 O THR A 533 -7.471 4.698 -0.266 1.00 0.18 O ATOM 520 CB THR A 533 -10.350 6.079 -0.714 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.399 4.684 -1.019 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.197 6.851 -1.713 1.00 0.28 C ATOM 0 H THR A 533 -8.637 5.684 -2.631 1.00 0.17 H new ATOM 0 HA THR A 533 -8.860 7.597 -0.416 1.00 0.18 H new ATOM 0 HB THR A 533 -10.752 6.255 0.284 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.945 4.543 -1.820 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.226 6.493 -1.671 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.172 7.913 -1.468 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.802 6.701 -2.718 1.00 0.28 H new ATOM 530 N GLU A 534 -8.023 6.037 1.444 1.00 0.19 N ATOM 531 CA GLU A 534 -7.331 5.231 2.428 1.00 0.20 C ATOM 532 C GLU A 534 -8.046 3.903 2.551 1.00 0.19 C ATOM 533 O GLU A 534 -7.432 2.860 2.778 1.00 0.20 O ATOM 534 CB GLU A 534 -7.239 5.966 3.765 1.00 0.23 C ATOM 535 CG GLU A 534 -6.645 7.368 3.629 1.00 0.27 C ATOM 536 CD GLU A 534 -6.433 8.064 4.957 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.435 8.381 5.634 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.264 8.329 5.315 1.00 1.64 O ATOM 0 H GLU A 534 -8.464 6.877 1.818 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.305 5.047 2.109 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.234 6.039 4.204 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.628 5.383 4.454 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.691 7.301 3.106 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.305 7.976 3.010 1.00 0.27 H new ATOM 545 N ASN A 535 -9.360 3.963 2.377 1.00 0.20 N ATOM 546 CA ASN A 535 -10.199 2.785 2.464 1.00 0.22 C ATOM 547 C ASN A 535 -9.842 1.761 1.395 1.00 0.21 C ATOM 548 O ASN A 535 -9.581 0.624 1.727 1.00 0.21 O ATOM 549 CB ASN A 535 -11.678 3.166 2.343 1.00 0.27 C ATOM 550 CG ASN A 535 -12.220 3.808 3.606 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.129 5.022 3.791 1.00 1.82 O ATOM 552 ND2 ASN A 535 -12.797 2.998 4.479 1.00 1.38 N ATOM 0 H ASN A 535 -9.867 4.825 2.173 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.023 2.333 3.440 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.805 3.854 1.507 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.262 2.274 2.114 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.187 3.374 5.343 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.852 1.998 4.288 1.00 1.38 H new ATOM 559 N ASP A 536 -9.734 2.168 0.130 1.00 0.21 N ATOM 560 CA ASP A 536 -9.531 1.200 -0.958 1.00 0.22 C ATOM 561 C ASP A 536 -8.146 0.571 -0.881 1.00 0.17 C ATOM 562 O ASP A 536 -7.989 -0.644 -0.999 1.00 0.16 O ATOM 563 CB ASP A 536 -9.712 1.851 -2.335 1.00 0.27 C ATOM 564 CG ASP A 536 -11.165 2.057 -2.714 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.895 1.053 -2.858 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.581 3.222 -2.895 1.00 0.61 O ATOM 0 H ASP A 536 -9.782 3.142 -0.168 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.287 0.425 -0.834 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.201 2.814 -2.344 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.232 1.228 -3.090 1.00 0.27 H new ATOM 571 N VAL A 537 -7.158 1.423 -0.670 1.00 0.15 N ATOM 572 CA VAL A 537 -5.764 0.998 -0.610 1.00 0.13 C ATOM 573 C VAL A 537 -5.573 -0.020 0.520 1.00 0.12 C ATOM 574 O VAL A 537 -5.006 -1.105 0.331 1.00 0.13 O ATOM 575 CB VAL A 537 -4.830 2.217 -0.411 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.366 1.822 -0.484 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.131 3.273 -1.459 1.00 0.13 C ATOM 0 H VAL A 537 -7.295 2.425 -0.536 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.503 0.523 -1.555 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.017 2.621 0.584 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.743 2.705 -0.340 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.147 1.092 0.295 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.155 1.385 -1.460 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.471 4.128 -1.314 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.971 2.855 -2.453 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.168 3.595 -1.364 1.00 0.13 H new ATOM 587 N ILE A 538 -6.087 0.321 1.688 1.00 0.12 N ATOM 588 CA ILE A 538 -6.042 -0.575 2.829 1.00 0.12 C ATOM 589 C ILE A 538 -6.954 -1.789 2.642 1.00 0.12 C ATOM 590 O ILE A 538 -6.639 -2.880 3.111 1.00 0.12 O ATOM 591 CB ILE A 538 -6.374 0.149 4.140 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.283 1.160 4.474 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.526 -0.850 5.271 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.496 1.839 5.801 1.00 0.23 C ATOM 0 H ILE A 538 -6.542 1.215 1.871 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.015 -0.935 2.894 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.318 0.679 4.015 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.317 0.655 4.482 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.242 1.915 3.689 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.761 -0.321 6.195 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.331 -1.546 5.036 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.595 -1.402 5.396 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.687 2.547 5.982 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.447 2.371 5.789 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.508 1.092 6.594 1.00 0.23 H new ATOM 606 N ASN A 539 -8.092 -1.604 1.976 1.00 0.12 N ATOM 607 CA ASN A 539 -9.007 -2.718 1.723 1.00 0.14 C ATOM 608 C ASN A 539 -8.315 -3.809 0.931 1.00 0.15 C ATOM 609 O ASN A 539 -8.720 -4.963 0.983 1.00 0.17 O ATOM 610 CB ASN A 539 -10.284 -2.304 0.974 1.00 0.17 C ATOM 611 CG ASN A 539 -11.277 -1.514 1.814 1.00 0.20 C ATOM 612 OD1 ASN A 539 -12.088 -0.759 1.281 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.213 -1.658 3.126 1.00 0.21 N ATOM 0 H ASN A 539 -8.401 -0.705 1.605 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.302 -3.083 2.707 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -10.004 -1.706 0.106 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.777 -3.201 0.598 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.848 -1.134 3.728 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.528 -2.293 3.537 1.00 0.21 H new ATOM 620 N LEU A 540 -7.310 -3.438 0.156 1.00 0.15 N ATOM 621 CA LEU A 540 -6.485 -4.427 -0.510 1.00 0.17 C ATOM 622 C LEU A 540 -5.526 -5.063 0.493 1.00 0.16 C ATOM 623 O LEU A 540 -5.329 -6.274 0.495 1.00 0.19 O ATOM 624 CB LEU A 540 -5.687 -3.773 -1.634 1.00 0.19 C ATOM 625 CG LEU A 540 -6.516 -3.148 -2.755 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.603 -2.489 -3.771 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.399 -4.191 -3.426 1.00 0.24 C ATOM 0 H LEU A 540 -7.049 -2.469 -0.025 1.00 0.15 H new ATOM 0 HA LEU A 540 -7.131 -5.197 -0.931 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -5.052 -3.000 -1.202 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -5.026 -4.522 -2.070 1.00 0.19 H new ATOM 0 HG LEU A 540 -7.166 -2.388 -2.321 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -6.203 -2.046 -4.566 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -5.017 -1.711 -3.283 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.932 -3.236 -4.196 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.979 -3.720 -4.220 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.775 -4.978 -3.850 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -8.076 -4.623 -2.689 1.00 0.24 H new ATOM 639 N GLY A 541 -4.951 -4.227 1.358 1.00 0.14 N ATOM 640 CA GLY A 541 -4.012 -4.706 2.363 1.00 0.16 C ATOM 641 C GLY A 541 -4.588 -5.672 3.391 1.00 0.15 C ATOM 642 O GLY A 541 -4.052 -6.760 3.596 1.00 0.19 O ATOM 0 H GLY A 541 -5.120 -3.221 1.380 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.182 -5.196 1.855 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.600 -3.845 2.890 1.00 0.16 H new ATOM 646 N LEU A 542 -5.690 -5.293 4.009 1.00 0.13 N ATOM 647 CA LEU A 542 -6.216 -6.013 5.171 1.00 0.14 C ATOM 648 C LEU A 542 -6.483 -7.509 4.929 1.00 0.16 C ATOM 649 O LEU A 542 -6.116 -8.330 5.771 1.00 0.20 O ATOM 650 CB LEU A 542 -7.474 -5.325 5.687 1.00 0.13 C ATOM 651 CG LEU A 542 -7.224 -4.003 6.406 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.532 -3.272 6.649 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.500 -4.254 7.720 1.00 0.16 C ATOM 0 H LEU A 542 -6.247 -4.486 3.729 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.429 -5.977 5.924 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.145 -5.146 4.847 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -7.990 -6.002 6.368 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.596 -3.374 5.775 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.333 -2.331 7.163 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.018 -3.069 5.695 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.186 -3.890 7.264 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.326 -3.305 8.226 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.110 -4.897 8.354 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.545 -4.740 7.522 1.00 0.16 H new ATOM 665 N PRO A 543 -7.125 -7.903 3.810 1.00 0.17 N ATOM 666 CA PRO A 543 -7.453 -9.312 3.548 1.00 0.19 C ATOM 667 C PRO A 543 -6.236 -10.241 3.505 1.00 0.20 C ATOM 668 O PRO A 543 -6.368 -11.442 3.745 1.00 0.23 O ATOM 669 CB PRO A 543 -8.148 -9.271 2.184 1.00 0.22 C ATOM 670 CG PRO A 543 -8.673 -7.888 2.087 1.00 0.21 C ATOM 671 CD PRO A 543 -7.624 -7.036 2.731 1.00 0.17 C ATOM 0 HA PRO A 543 -8.065 -9.723 4.351 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.451 -9.491 1.375 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -8.950 -10.007 2.123 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.836 -7.598 1.049 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.631 -7.791 2.599 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.834 -6.766 2.030 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.039 -6.105 3.118 1.00 0.17 H new ATOM 679 N PHE A 544 -5.057 -9.713 3.183 1.00 0.20 N ATOM 680 CA PHE A 544 -3.854 -10.539 3.153 1.00 0.22 C ATOM 681 C PHE A 544 -3.045 -10.377 4.437 1.00 0.22 C ATOM 682 O PHE A 544 -2.108 -11.137 4.687 1.00 0.28 O ATOM 683 CB PHE A 544 -2.974 -10.163 1.960 1.00 0.23 C ATOM 684 CG PHE A 544 -3.675 -10.197 0.634 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.927 -11.397 -0.009 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.078 -9.019 0.027 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.572 -11.422 -1.231 1.00 0.33 C ATOM 688 CE2 PHE A 544 -4.722 -9.036 -1.193 1.00 0.32 C ATOM 689 CZ PHE A 544 -4.971 -10.240 -1.822 1.00 0.33 C ATOM 0 H PHE A 544 -4.910 -8.733 2.943 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.172 -11.577 3.060 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.575 -9.161 2.120 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.123 -10.843 1.924 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.616 -12.324 0.450 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -3.886 -8.075 0.515 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.763 -12.364 -1.723 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.031 -8.110 -1.655 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.478 -10.257 -2.776 1.00 0.33 H new ATOM 699 N GLY A 545 -3.403 -9.385 5.241 1.00 0.19 N ATOM 700 CA GLY A 545 -2.665 -9.107 6.457 1.00 0.21 C ATOM 701 C GLY A 545 -3.083 -7.796 7.091 1.00 0.21 C ATOM 702 O GLY A 545 -3.571 -6.901 6.406 1.00 0.44 O ATOM 0 H GLY A 545 -4.195 -8.765 5.072 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.820 -9.919 7.168 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.598 -9.078 6.234 1.00 0.21 H new ATOM 706 N LYS A 546 -2.896 -7.681 8.396 1.00 0.27 N ATOM 707 CA LYS A 546 -3.285 -6.479 9.122 1.00 0.25 C ATOM 708 C LYS A 546 -2.443 -5.280 8.690 1.00 0.20 C ATOM 709 O LYS A 546 -1.221 -5.369 8.604 1.00 0.24 O ATOM 710 CB LYS A 546 -3.143 -6.703 10.630 1.00 0.35 C ATOM 711 CG LYS A 546 -3.552 -5.500 11.465 1.00 0.41 C ATOM 712 CD LYS A 546 -3.351 -5.744 12.951 1.00 0.92 C ATOM 713 CE LYS A 546 -4.213 -6.890 13.456 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.159 -7.007 14.936 1.00 2.07 N ATOM 0 H LYS A 546 -2.476 -8.407 8.977 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.328 -6.266 8.889 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.751 -7.560 10.920 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.107 -6.956 10.855 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.970 -4.631 11.158 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.599 -5.266 11.274 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -2.301 -5.966 13.144 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.592 -4.836 13.504 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -5.245 -6.736 13.141 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -3.878 -7.824 13.005 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.759 -7.799 15.244 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -3.178 -7.179 15.235 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -4.502 -6.125 15.367 1.00 2.07 H new ATOM 728 N VAL A 547 -3.112 -4.172 8.407 1.00 0.16 N ATOM 729 CA VAL A 547 -2.454 -2.929 8.032 1.00 0.15 C ATOM 730 C VAL A 547 -2.152 -2.076 9.262 1.00 0.18 C ATOM 731 O VAL A 547 -3.062 -1.658 9.976 1.00 0.20 O ATOM 732 CB VAL A 547 -3.342 -2.133 7.053 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.764 -0.759 6.758 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.532 -2.919 5.767 1.00 0.14 C ATOM 0 H VAL A 547 -4.130 -4.109 8.431 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.511 -3.180 7.545 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.312 -1.982 7.527 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.418 -0.230 6.065 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.683 -0.192 7.685 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.775 -0.868 6.312 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.160 -2.350 5.082 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.562 -3.100 5.304 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.011 -3.872 5.991 1.00 0.14 H new ATOM 744 N THR A 548 -0.872 -1.844 9.520 1.00 0.20 N ATOM 745 CA THR A 548 -0.465 -1.012 10.641 1.00 0.23 C ATOM 746 C THR A 548 -0.233 0.438 10.226 1.00 0.23 C ATOM 747 O THR A 548 -0.557 1.364 10.973 1.00 0.27 O ATOM 748 CB THR A 548 0.812 -1.569 11.297 1.00 0.27 C ATOM 749 OG1 THR A 548 1.797 -1.845 10.290 1.00 0.26 O ATOM 750 CG2 THR A 548 0.507 -2.834 12.082 1.00 0.31 C ATOM 0 H THR A 548 -0.100 -2.220 8.969 1.00 0.20 H new ATOM 0 HA THR A 548 -1.283 -1.031 11.361 1.00 0.23 H new ATOM 0 HB THR A 548 1.200 -0.820 11.987 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.474 -1.136 10.292 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.424 -3.210 12.537 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.220 -2.611 12.863 1.00 0.31 H new ATOM 0 HG23 THR A 548 0.099 -3.589 11.411 1.00 0.31 H new ATOM 758 N ASN A 549 0.280 0.632 9.017 1.00 0.20 N ATOM 759 CA ASN A 549 0.610 1.969 8.528 1.00 0.21 C ATOM 760 C ASN A 549 0.250 2.099 7.060 1.00 0.18 C ATOM 761 O ASN A 549 0.271 1.121 6.318 1.00 0.20 O ATOM 762 CB ASN A 549 2.112 2.290 8.686 1.00 0.26 C ATOM 763 CG ASN A 549 2.563 2.599 10.108 1.00 0.40 C ATOM 764 OD1 ASN A 549 2.031 2.087 11.088 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.571 3.446 10.226 1.00 0.81 N ATOM 0 H ASN A 549 0.477 -0.119 8.355 1.00 0.20 H new ATOM 0 HA ASN A 549 0.033 2.672 9.129 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.689 1.443 8.315 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.354 3.143 8.052 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.927 3.690 11.150 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.993 3.856 9.393 1.00 0.81 H new ATOM 772 N TYR A 550 -0.090 3.310 6.652 1.00 0.17 N ATOM 773 CA TYR A 550 -0.445 3.587 5.271 1.00 0.17 C ATOM 774 C TYR A 550 -0.249 5.066 4.971 1.00 0.17 C ATOM 775 O TYR A 550 -0.373 5.907 5.864 1.00 0.17 O ATOM 776 CB TYR A 550 -1.894 3.171 5.004 1.00 0.17 C ATOM 777 CG TYR A 550 -2.904 3.824 5.925 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.822 4.739 5.436 1.00 0.19 C ATOM 779 CD2 TYR A 550 -2.944 3.518 7.282 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.752 5.328 6.273 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.867 4.104 8.121 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.770 5.007 7.611 1.00 0.25 C ATOM 783 OH TYR A 550 -5.707 5.581 8.439 1.00 0.31 O ATOM 0 H TYR A 550 -0.128 4.124 7.265 1.00 0.17 H new ATOM 0 HA TYR A 550 0.205 3.009 4.614 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.147 3.416 3.973 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -1.974 2.088 5.103 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.811 4.996 4.387 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.238 2.807 7.686 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.463 6.038 5.877 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.881 3.856 9.172 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.741 5.089 9.286 1.00 0.31 H new ATOM 793 N ILE A 551 0.051 5.378 3.718 1.00 0.18 N ATOM 794 CA ILE A 551 0.367 6.737 3.302 1.00 0.16 C ATOM 795 C ILE A 551 -0.182 6.961 1.907 1.00 0.17 C ATOM 796 O ILE A 551 0.141 6.205 0.997 1.00 0.20 O ATOM 797 CB ILE A 551 1.894 6.961 3.260 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.522 6.667 4.627 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.224 8.378 2.814 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.031 6.738 4.638 1.00 0.20 C ATOM 0 H ILE A 551 0.082 4.695 2.961 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.076 7.430 4.018 1.00 0.16 H new ATOM 0 HB ILE A 551 2.316 6.269 2.531 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.130 7.376 5.356 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.213 5.673 4.951 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.306 8.510 2.793 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.818 8.550 1.817 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.785 9.091 3.512 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.398 6.518 5.640 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.435 6.009 3.935 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.350 7.738 4.346 1.00 0.20 H new ATOM 812 N LEU A 552 -1.009 7.971 1.720 1.00 0.16 N ATOM 813 CA LEU A 552 -1.581 8.219 0.409 1.00 0.19 C ATOM 814 C LEU A 552 -0.972 9.458 -0.216 1.00 0.19 C ATOM 815 O LEU A 552 -1.129 10.555 0.311 1.00 0.26 O ATOM 816 CB LEU A 552 -3.092 8.377 0.485 1.00 0.27 C ATOM 817 CG LEU A 552 -3.869 7.126 0.852 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.339 7.383 0.640 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.413 5.931 0.033 1.00 0.42 C ATOM 0 H LEU A 552 -1.298 8.626 2.447 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.353 7.354 -0.214 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.321 9.152 1.217 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.450 8.734 -0.481 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.684 6.890 1.900 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.906 6.489 0.901 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.658 8.212 1.271 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.518 7.633 -0.406 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.989 5.052 0.320 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.567 6.136 -1.026 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.354 5.747 0.216 1.00 0.42 H new ATOM 831 N MET A 553 -0.321 9.313 -1.355 1.00 0.18 N ATOM 832 CA MET A 553 0.258 10.475 -2.005 1.00 0.26 C ATOM 833 C MET A 553 -0.529 10.788 -3.264 1.00 0.26 C ATOM 834 O MET A 553 -0.160 10.387 -4.369 1.00 0.25 O ATOM 835 CB MET A 553 1.728 10.242 -2.356 1.00 0.35 C ATOM 836 CG MET A 553 2.607 9.933 -1.158 1.00 0.56 C ATOM 837 SD MET A 553 4.346 9.766 -1.605 1.00 1.03 S ATOM 838 CE MET A 553 4.266 8.443 -2.807 1.00 0.80 C ATOM 0 H MET A 553 -0.181 8.427 -1.840 1.00 0.18 H new ATOM 0 HA MET A 553 0.209 11.317 -1.315 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.795 9.417 -3.065 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.116 11.128 -2.859 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.500 10.726 -0.418 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.265 9.011 -0.689 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.989 7.670 -2.546 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.263 8.015 -2.811 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.497 8.836 -3.797 1.00 0.80 H new ATOM 848 N LYS A 554 -1.623 11.507 -3.068 1.00 0.32 N ATOM 849 CA LYS A 554 -2.447 12.003 -4.162 1.00 0.37 C ATOM 850 C LYS A 554 -1.634 12.790 -5.188 1.00 0.38 C ATOM 851 O LYS A 554 -2.001 12.845 -6.364 1.00 0.40 O ATOM 852 CB LYS A 554 -3.580 12.878 -3.614 1.00 0.47 C ATOM 853 CG LYS A 554 -4.162 12.397 -2.285 1.00 0.43 C ATOM 854 CD LYS A 554 -4.622 10.947 -2.335 1.00 0.37 C ATOM 855 CE LYS A 554 -5.268 10.524 -1.024 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.570 11.203 -0.782 1.00 1.03 N ATOM 0 H LYS A 554 -1.967 11.765 -2.143 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.865 11.134 -4.671 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.209 13.895 -3.487 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.380 12.920 -4.353 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.411 12.509 -1.503 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -5.005 13.032 -2.011 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.333 10.817 -3.151 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.771 10.301 -2.548 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.421 9.445 -1.030 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.589 10.745 -0.201 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.523 11.737 0.109 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.772 11.856 -1.566 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -7.326 10.492 -0.720 1.00 1.03 H new ATOM 870 N SER A 555 -0.533 13.391 -4.756 1.00 0.40 N ATOM 871 CA SER A 555 0.258 14.240 -5.627 1.00 0.44 C ATOM 872 C SER A 555 0.948 13.416 -6.716 1.00 0.38 C ATOM 873 O SER A 555 0.954 13.793 -7.888 1.00 0.38 O ATOM 874 CB SER A 555 1.292 14.992 -4.790 1.00 0.51 C ATOM 875 OG SER A 555 2.115 14.087 -4.068 1.00 0.50 O ATOM 0 H SER A 555 -0.170 13.304 -3.807 1.00 0.40 H new ATOM 0 HA SER A 555 -0.401 14.954 -6.121 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.910 15.613 -5.439 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.786 15.662 -4.096 1.00 0.51 H new ATOM 0 HG SER A 555 1.669 13.834 -3.233 1.00 0.50 H new ATOM 881 N THR A 556 1.518 12.285 -6.324 1.00 0.34 N ATOM 882 CA THR A 556 2.262 11.448 -7.250 1.00 0.32 C ATOM 883 C THR A 556 1.431 10.281 -7.771 1.00 0.27 C ATOM 884 O THR A 556 1.923 9.466 -8.556 1.00 0.28 O ATOM 885 CB THR A 556 3.540 10.903 -6.582 1.00 0.36 C ATOM 886 OG1 THR A 556 3.207 10.240 -5.355 1.00 0.34 O ATOM 887 CG2 THR A 556 4.528 12.021 -6.301 1.00 0.45 C ATOM 0 H THR A 556 1.478 11.927 -5.370 1.00 0.34 H new ATOM 0 HA THR A 556 2.527 12.080 -8.098 1.00 0.32 H new ATOM 0 HB THR A 556 4.004 10.194 -7.268 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.666 10.681 -4.610 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.420 11.608 -5.830 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.804 12.507 -7.237 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.070 12.752 -5.634 1.00 0.45 H new ATOM 895 N ASN A 557 0.164 10.226 -7.353 1.00 0.26 N ATOM 896 CA ASN A 557 -0.739 9.128 -7.717 1.00 0.26 C ATOM 897 C ASN A 557 -0.157 7.796 -7.256 1.00 0.21 C ATOM 898 O ASN A 557 -0.255 6.768 -7.936 1.00 0.25 O ATOM 899 CB ASN A 557 -0.996 9.113 -9.232 1.00 0.31 C ATOM 900 CG ASN A 557 -1.741 10.346 -9.710 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.971 10.362 -9.776 1.00 1.09 O ATOM 902 ND2 ASN A 557 -1.003 11.387 -10.061 1.00 1.28 N ATOM 0 H ASN A 557 -0.264 10.935 -6.757 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.694 9.283 -7.216 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.044 9.042 -9.758 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.570 8.223 -9.491 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.451 12.239 -10.399 1.00 1.28 H new ATOM 0 HD22 ASN A 557 0.014 11.338 -9.993 1.00 1.28 H new ATOM 909 N GLN A 558 0.437 7.834 -6.073 1.00 0.17 N ATOM 910 CA GLN A 558 1.119 6.688 -5.495 1.00 0.17 C ATOM 911 C GLN A 558 0.815 6.630 -4.011 1.00 0.16 C ATOM 912 O GLN A 558 0.334 7.606 -3.441 1.00 0.20 O ATOM 913 CB GLN A 558 2.628 6.804 -5.708 1.00 0.22 C ATOM 914 CG GLN A 558 3.045 6.872 -7.167 1.00 0.29 C ATOM 915 CD GLN A 558 4.513 7.201 -7.330 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.331 6.853 -6.481 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.857 7.879 -8.412 1.00 0.84 N ATOM 0 H GLN A 558 0.459 8.666 -5.484 1.00 0.17 H new ATOM 0 HA GLN A 558 0.769 5.778 -5.982 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.989 7.696 -5.196 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.117 5.949 -5.241 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.833 5.917 -7.648 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.447 7.626 -7.679 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.146 8.149 -9.092 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.833 8.132 -8.566 1.00 0.84 H new ATOM 926 N ALA A 559 1.077 5.501 -3.377 1.00 0.15 N ATOM 927 CA ALA A 559 0.765 5.349 -1.972 1.00 0.14 C ATOM 928 C ALA A 559 1.620 4.260 -1.324 1.00 0.14 C ATOM 929 O ALA A 559 2.273 3.478 -2.010 1.00 0.16 O ATOM 930 CB ALA A 559 -0.712 5.045 -1.818 1.00 0.15 C ATOM 0 H ALA A 559 1.502 4.682 -3.812 1.00 0.15 H new ATOM 0 HA ALA A 559 0.995 6.282 -1.458 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.951 4.930 -0.761 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.298 5.864 -2.235 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.951 4.122 -2.347 1.00 0.15 H new ATOM 936 N PHE A 560 1.646 4.253 -0.002 1.00 0.14 N ATOM 937 CA PHE A 560 2.373 3.236 0.754 1.00 0.15 C ATOM 938 C PHE A 560 1.439 2.473 1.674 1.00 0.14 C ATOM 939 O PHE A 560 0.455 3.021 2.172 1.00 0.16 O ATOM 940 CB PHE A 560 3.498 3.854 1.583 1.00 0.16 C ATOM 941 CG PHE A 560 4.615 4.439 0.770 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.747 3.696 0.492 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.522 5.726 0.272 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.769 4.226 -0.268 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.542 6.264 -0.488 1.00 0.35 C ATOM 946 CZ PHE A 560 6.692 5.525 -0.713 1.00 0.30 C ATOM 0 H PHE A 560 1.169 4.944 0.578 1.00 0.14 H new ATOM 0 HA PHE A 560 2.807 2.549 0.028 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.079 4.635 2.218 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.907 3.091 2.245 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.832 2.689 0.874 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.642 6.317 0.480 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.629 3.621 -0.513 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.444 7.256 -0.905 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.526 5.968 -1.237 1.00 0.30 H new ATOM 956 N LEU A 561 1.766 1.211 1.898 1.00 0.14 N ATOM 957 CA LEU A 561 0.962 0.340 2.732 1.00 0.14 C ATOM 958 C LEU A 561 1.868 -0.591 3.537 1.00 0.16 C ATOM 959 O LEU A 561 2.619 -1.370 2.968 1.00 0.18 O ATOM 960 CB LEU A 561 0.033 -0.476 1.826 1.00 0.15 C ATOM 961 CG LEU A 561 -0.927 -1.440 2.523 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.930 -0.672 3.366 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.639 -2.300 1.486 1.00 0.20 C ATOM 0 H LEU A 561 2.595 0.764 1.507 1.00 0.14 H new ATOM 0 HA LEU A 561 0.370 0.931 3.431 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.556 0.219 1.228 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.649 -1.050 1.134 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.358 -2.092 3.186 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.606 -1.373 3.855 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.401 -0.091 4.121 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.504 -0.000 2.727 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.322 -2.985 1.988 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.202 -1.660 0.807 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.903 -2.871 0.920 1.00 0.20 H new ATOM 975 N GLU A 562 1.814 -0.491 4.855 1.00 0.17 N ATOM 976 CA GLU A 562 2.558 -1.415 5.700 1.00 0.20 C ATOM 977 C GLU A 562 1.653 -2.492 6.259 1.00 0.18 C ATOM 978 O GLU A 562 0.577 -2.214 6.796 1.00 0.18 O ATOM 979 CB GLU A 562 3.274 -0.721 6.860 1.00 0.27 C ATOM 980 CG GLU A 562 4.020 -1.715 7.746 1.00 0.57 C ATOM 981 CD GLU A 562 4.728 -1.086 8.924 1.00 1.17 C ATOM 982 OE1 GLU A 562 5.938 -1.336 9.101 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.084 -0.294 9.651 1.00 1.21 O ATOM 0 H GLU A 562 1.271 0.210 5.359 1.00 0.17 H new ATOM 0 HA GLU A 562 3.315 -1.860 5.053 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.977 0.012 6.466 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.547 -0.174 7.460 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.312 -2.457 8.116 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.752 -2.248 7.139 1.00 0.57 H new ATOM 990 N MET A 563 2.107 -3.718 6.125 1.00 0.25 N ATOM 991 CA MET A 563 1.420 -4.853 6.688 1.00 0.23 C ATOM 992 C MET A 563 2.149 -5.291 7.948 1.00 0.27 C ATOM 993 O MET A 563 3.368 -5.181 8.034 1.00 0.39 O ATOM 994 CB MET A 563 1.375 -5.991 5.672 1.00 0.25 C ATOM 995 CG MET A 563 0.876 -5.557 4.303 1.00 0.25 C ATOM 996 SD MET A 563 2.177 -4.930 3.240 1.00 0.31 S ATOM 997 CE MET A 563 1.212 -4.425 1.814 1.00 0.25 C ATOM 0 H MET A 563 2.963 -3.954 5.622 1.00 0.25 H new ATOM 0 HA MET A 563 0.395 -4.581 6.940 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.373 -6.416 5.569 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.729 -6.783 6.052 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.394 -6.404 3.815 1.00 0.25 H new ATOM 0 HG3 MET A 563 0.116 -4.786 4.429 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.350 -5.145 1.007 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.157 -4.382 2.085 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.541 -3.440 1.482 1.00 0.25 H new ATOM 1007 N ALA A 564 1.391 -5.789 8.915 1.00 0.28 N ATOM 1008 CA ALA A 564 1.923 -6.109 10.240 1.00 0.33 C ATOM 1009 C ALA A 564 2.913 -7.261 10.179 1.00 0.27 C ATOM 1010 O ALA A 564 3.676 -7.492 11.117 1.00 0.40 O ATOM 1011 CB ALA A 564 0.789 -6.438 11.198 1.00 0.50 C ATOM 0 H ALA A 564 0.395 -5.983 8.808 1.00 0.28 H new ATOM 0 HA ALA A 564 2.455 -5.231 10.607 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.199 -6.674 12.180 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.122 -5.580 11.280 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.232 -7.296 10.822 1.00 0.50 H new ATOM 1017 N TYR A 565 2.888 -7.981 9.071 1.00 0.27 N ATOM 1018 CA TYR A 565 3.741 -9.135 8.877 1.00 0.37 C ATOM 1019 C TYR A 565 4.273 -9.128 7.448 1.00 0.33 C ATOM 1020 O TYR A 565 3.536 -8.824 6.508 1.00 0.29 O ATOM 1021 CB TYR A 565 2.952 -10.423 9.140 1.00 0.55 C ATOM 1022 CG TYR A 565 2.318 -10.497 10.512 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.034 -10.010 10.733 1.00 0.75 C ATOM 1024 CD2 TYR A 565 3.002 -11.047 11.585 1.00 0.86 C ATOM 1025 CE1 TYR A 565 0.455 -10.068 11.985 1.00 0.90 C ATOM 1026 CE2 TYR A 565 2.428 -11.111 12.840 1.00 1.00 C ATOM 1027 CZ TYR A 565 1.157 -10.619 13.035 1.00 0.98 C ATOM 1028 OH TYR A 565 0.588 -10.672 14.285 1.00 1.15 O ATOM 0 H TYR A 565 2.274 -7.780 8.281 1.00 0.27 H new ATOM 0 HA TYR A 565 4.576 -9.092 9.576 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.170 -10.516 8.386 1.00 0.55 H new ATOM 0 HB3 TYR A 565 3.619 -11.276 9.015 1.00 0.55 H new ATOM 0 HD1 TYR A 565 0.481 -9.579 9.912 1.00 0.75 H new ATOM 0 HD2 TYR A 565 4.000 -11.432 11.437 1.00 0.86 H new ATOM 0 HE1 TYR A 565 -0.542 -9.684 12.141 1.00 0.90 H new ATOM 0 HE2 TYR A 565 2.974 -11.545 13.665 1.00 1.00 H new ATOM 0 HH TYR A 565 1.214 -11.091 14.912 1.00 1.15 H new ATOM 1038 N THR A 566 5.553 -9.453 7.298 1.00 0.39 N ATOM 1039 CA THR A 566 6.202 -9.433 5.990 1.00 0.40 C ATOM 1040 C THR A 566 5.569 -10.465 5.056 1.00 0.36 C ATOM 1041 O THR A 566 5.590 -10.303 3.835 1.00 0.35 O ATOM 1042 CB THR A 566 7.732 -9.656 6.082 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.337 -9.446 4.800 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.072 -11.055 6.574 1.00 0.57 C ATOM 0 H THR A 566 6.163 -9.734 8.066 1.00 0.39 H new ATOM 0 HA THR A 566 6.047 -8.436 5.578 1.00 0.40 H new ATOM 0 HB THR A 566 8.123 -8.937 6.802 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.304 -9.588 4.868 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.155 -11.170 6.624 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.645 -11.206 7.565 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.660 -11.793 5.885 1.00 0.57 H new ATOM 1052 N GLU A 567 5.001 -11.518 5.645 1.00 0.38 N ATOM 1053 CA GLU A 567 4.277 -12.540 4.893 1.00 0.40 C ATOM 1054 C GLU A 567 3.154 -11.924 4.062 1.00 0.31 C ATOM 1055 O GLU A 567 2.860 -12.379 2.960 1.00 0.32 O ATOM 1056 CB GLU A 567 3.680 -13.573 5.848 1.00 0.49 C ATOM 1057 CG GLU A 567 2.931 -12.948 7.015 1.00 0.55 C ATOM 1058 CD GLU A 567 1.995 -13.914 7.701 1.00 0.71 C ATOM 1059 OE1 GLU A 567 2.463 -14.697 8.555 1.00 0.89 O ATOM 1060 OE2 GLU A 567 0.788 -13.899 7.393 1.00 0.84 O ATOM 0 H GLU A 567 5.030 -11.685 6.651 1.00 0.38 H new ATOM 0 HA GLU A 567 4.988 -13.022 4.222 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.001 -14.221 5.294 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.479 -14.205 6.235 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.651 -12.571 7.741 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.361 -12.091 6.656 1.00 0.55 H new ATOM 1067 N ALA A 568 2.552 -10.867 4.590 1.00 0.26 N ATOM 1068 CA ALA A 568 1.418 -10.236 3.939 1.00 0.24 C ATOM 1069 C ALA A 568 1.874 -9.451 2.720 1.00 0.21 C ATOM 1070 O ALA A 568 1.259 -9.523 1.661 1.00 0.22 O ATOM 1071 CB ALA A 568 0.680 -9.331 4.908 1.00 0.25 C ATOM 0 H ALA A 568 2.832 -10.430 5.468 1.00 0.26 H new ATOM 0 HA ALA A 568 0.733 -11.017 3.611 1.00 0.24 H new ATOM 0 HB1 ALA A 568 -0.166 -8.868 4.401 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.320 -9.919 5.752 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.356 -8.555 5.268 1.00 0.25 H new ATOM 1077 N ALA A 569 2.979 -8.732 2.871 1.00 0.19 N ATOM 1078 CA ALA A 569 3.489 -7.881 1.809 1.00 0.21 C ATOM 1079 C ALA A 569 3.922 -8.707 0.608 1.00 0.22 C ATOM 1080 O ALA A 569 3.582 -8.391 -0.532 1.00 0.24 O ATOM 1081 CB ALA A 569 4.659 -7.059 2.324 1.00 0.23 C ATOM 0 H ALA A 569 3.540 -8.723 3.723 1.00 0.19 H new ATOM 0 HA ALA A 569 2.689 -7.213 1.491 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.037 -6.423 1.524 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.329 -6.437 3.156 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.452 -7.726 2.662 1.00 0.23 H new ATOM 1087 N GLN A 570 4.646 -9.786 0.874 1.00 0.24 N ATOM 1088 CA GLN A 570 5.138 -10.651 -0.189 1.00 0.28 C ATOM 1089 C GLN A 570 3.986 -11.390 -0.862 1.00 0.27 C ATOM 1090 O GLN A 570 4.008 -11.617 -2.071 1.00 0.29 O ATOM 1091 CB GLN A 570 6.186 -11.632 0.347 1.00 0.34 C ATOM 1092 CG GLN A 570 5.701 -12.498 1.498 1.00 0.38 C ATOM 1093 CD GLN A 570 6.811 -13.328 2.110 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.488 -12.892 3.041 1.00 1.24 O ATOM 1095 NE2 GLN A 570 7.000 -14.533 1.601 1.00 1.04 N ATOM 0 H GLN A 570 4.905 -10.082 1.815 1.00 0.24 H new ATOM 0 HA GLN A 570 5.620 -10.026 -0.941 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.511 -12.279 -0.468 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.060 -11.069 0.675 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.262 -11.862 2.267 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.911 -13.160 1.142 1.00 0.38 H new ATOM 0 HE21 GLN A 570 6.418 -14.858 0.829 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.728 -15.138 1.980 1.00 1.04 H new ATOM 1104 N ALA A 571 2.982 -11.764 -0.075 1.00 0.26 N ATOM 1105 CA ALA A 571 1.802 -12.434 -0.604 1.00 0.27 C ATOM 1106 C ALA A 571 1.062 -11.531 -1.583 1.00 0.25 C ATOM 1107 O ALA A 571 0.621 -11.976 -2.643 1.00 0.27 O ATOM 1108 CB ALA A 571 0.879 -12.854 0.529 1.00 0.31 C ATOM 0 H ALA A 571 2.963 -11.613 0.934 1.00 0.26 H new ATOM 0 HA ALA A 571 2.127 -13.326 -1.139 1.00 0.27 H new ATOM 0 HB1 ALA A 571 0.002 -13.353 0.118 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.407 -13.537 1.194 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.566 -11.973 1.089 1.00 0.31 H new ATOM 1114 N MET A 572 0.951 -10.252 -1.231 1.00 0.25 N ATOM 1115 CA MET A 572 0.256 -9.288 -2.077 1.00 0.28 C ATOM 1116 C MET A 572 0.991 -9.097 -3.389 1.00 0.24 C ATOM 1117 O MET A 572 0.369 -9.069 -4.446 1.00 0.24 O ATOM 1118 CB MET A 572 0.107 -7.939 -1.379 1.00 0.37 C ATOM 1119 CG MET A 572 -0.643 -8.021 -0.070 1.00 0.47 C ATOM 1120 SD MET A 572 -0.963 -6.410 0.648 1.00 0.36 S ATOM 1121 CE MET A 572 -1.436 -6.901 2.299 1.00 0.33 C ATOM 0 H MET A 572 1.332 -9.861 -0.369 1.00 0.25 H new ATOM 0 HA MET A 572 -0.738 -9.690 -2.275 1.00 0.28 H new ATOM 0 HB2 MET A 572 1.097 -7.521 -1.197 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.412 -7.249 -2.044 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.590 -8.537 -0.230 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.069 -8.621 0.636 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.379 -6.040 2.965 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.457 -7.283 2.287 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.762 -7.680 2.654 1.00 0.33 H new ATOM 1131 N VAL A 573 2.314 -8.984 -3.325 1.00 0.24 N ATOM 1132 CA VAL A 573 3.107 -8.805 -4.534 1.00 0.27 C ATOM 1133 C VAL A 573 2.877 -9.972 -5.478 1.00 0.25 C ATOM 1134 O VAL A 573 2.584 -9.776 -6.648 1.00 0.28 O ATOM 1135 CB VAL A 573 4.619 -8.682 -4.230 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.417 -8.484 -5.515 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.878 -7.538 -3.262 1.00 0.32 C ATOM 0 H VAL A 573 2.853 -9.013 -2.460 1.00 0.24 H new ATOM 0 HA VAL A 573 2.784 -7.873 -4.998 1.00 0.27 H new ATOM 0 HB VAL A 573 4.948 -9.611 -3.764 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.477 -8.400 -5.276 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.260 -9.337 -6.176 1.00 0.34 H new ATOM 0 HG13 VAL A 573 5.084 -7.573 -6.013 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.947 -7.467 -3.060 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.529 -6.604 -3.701 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.344 -7.722 -2.330 1.00 0.32 H new ATOM 1147 N GLN A 574 2.937 -11.184 -4.942 1.00 0.23 N ATOM 1148 CA GLN A 574 2.733 -12.385 -5.742 1.00 0.25 C ATOM 1149 C GLN A 574 1.340 -12.390 -6.362 1.00 0.23 C ATOM 1150 O GLN A 574 1.163 -12.775 -7.516 1.00 0.26 O ATOM 1151 CB GLN A 574 2.920 -13.628 -4.877 1.00 0.28 C ATOM 1152 CG GLN A 574 4.346 -13.825 -4.394 1.00 0.33 C ATOM 1153 CD GLN A 574 4.449 -14.895 -3.328 1.00 1.30 C ATOM 1154 OE1 GLN A 574 4.630 -16.075 -3.623 1.00 2.04 O ATOM 1155 NE2 GLN A 574 4.333 -14.487 -2.077 1.00 2.09 N ATOM 0 H GLN A 574 3.125 -11.362 -3.955 1.00 0.23 H new ATOM 0 HA GLN A 574 3.470 -12.392 -6.545 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.259 -13.562 -4.013 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.614 -14.506 -5.446 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.979 -14.095 -5.239 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.727 -12.883 -3.998 1.00 0.33 H new ATOM 0 HE21 GLN A 574 4.183 -13.498 -1.875 1.00 2.09 H new ATOM 0 HE22 GLN A 574 4.393 -15.160 -1.313 1.00 2.09 H new ATOM 1164 N TYR A 575 0.361 -11.950 -5.587 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.013 -11.901 -6.055 1.00 0.20 C ATOM 1166 C TYR A 575 -1.187 -10.834 -7.133 1.00 0.20 C ATOM 1167 O TYR A 575 -1.702 -11.117 -8.206 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.967 -11.640 -4.885 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.418 -11.511 -5.289 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.075 -10.291 -5.207 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.134 -12.609 -5.749 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.401 -10.167 -5.569 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.461 -12.494 -6.116 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.089 -11.271 -6.024 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.415 -11.152 -6.378 1.00 0.48 O ATOM 0 H TYR A 575 0.494 -11.622 -4.630 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.255 -12.868 -6.495 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.872 -12.453 -4.165 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.660 -10.726 -4.377 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.539 -9.423 -4.853 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.645 -13.569 -5.821 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -5.897 -9.210 -5.496 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.003 -13.357 -6.473 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.753 -12.021 -6.679 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.748 -9.614 -6.843 1.00 0.21 N ATOM 1186 CA TYR A 576 -0.944 -8.489 -7.755 1.00 0.25 C ATOM 1187 C TYR A 576 0.010 -8.508 -8.950 1.00 0.30 C ATOM 1188 O TYR A 576 -0.198 -7.779 -9.920 1.00 0.34 O ATOM 1189 CB TYR A 576 -0.858 -7.166 -6.993 1.00 0.28 C ATOM 1190 CG TYR A 576 -1.988 -7.008 -5.999 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.294 -6.844 -6.436 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.756 -7.044 -4.631 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.335 -6.722 -5.540 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.794 -6.919 -3.728 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.081 -6.758 -4.190 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.119 -6.639 -3.298 1.00 0.35 O ATOM 0 H TYR A 576 -0.253 -9.377 -5.983 1.00 0.21 H new ATOM 0 HA TYR A 576 -1.945 -8.591 -8.174 1.00 0.25 H new ATOM 0 HB2 TYR A 576 0.096 -7.111 -6.469 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -0.880 -6.338 -7.701 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.499 -6.811 -7.496 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.747 -7.172 -4.267 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.346 -6.599 -5.898 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.597 -6.947 -2.666 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.758 -7.368 -3.441 1.00 0.35 H new ATOM 1206 N GLN A 577 1.054 -9.321 -8.886 1.00 0.31 N ATOM 1207 CA GLN A 577 1.879 -9.564 -10.064 1.00 0.38 C ATOM 1208 C GLN A 577 1.068 -10.355 -11.083 1.00 0.37 C ATOM 1209 O GLN A 577 1.113 -10.084 -12.283 1.00 0.42 O ATOM 1210 CB GLN A 577 3.161 -10.332 -9.713 1.00 0.45 C ATOM 1211 CG GLN A 577 4.210 -9.502 -8.984 1.00 0.52 C ATOM 1212 CD GLN A 577 4.870 -8.464 -9.865 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.397 -7.334 -9.987 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.987 -8.832 -10.471 1.00 1.57 N ATOM 0 H GLN A 577 1.349 -9.818 -8.045 1.00 0.31 H new ATOM 0 HA GLN A 577 2.176 -8.601 -10.479 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.899 -11.190 -9.094 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.599 -10.724 -10.631 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.743 -9.004 -8.135 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.975 -10.167 -8.582 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.348 -9.778 -10.345 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.488 -8.170 -11.064 1.00 1.57 H new ATOM 1223 N GLU A 578 0.311 -11.327 -10.584 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.515 -12.167 -11.440 1.00 0.38 C ATOM 1225 C GLU A 578 -1.868 -11.507 -11.713 1.00 0.33 C ATOM 1226 O GLU A 578 -2.386 -11.569 -12.832 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.727 -13.532 -10.777 1.00 0.42 C ATOM 1228 CG GLU A 578 0.563 -14.220 -10.351 1.00 0.52 C ATOM 1229 CD GLU A 578 1.520 -14.452 -11.502 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.365 -13.573 -11.762 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.429 -15.510 -12.155 1.00 1.31 O ATOM 0 H GLU A 578 0.253 -11.551 -9.591 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.000 -12.300 -12.392 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.365 -13.405 -9.902 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.262 -14.182 -11.470 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.057 -13.614 -9.592 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.322 -15.177 -9.888 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.430 -10.862 -10.697 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.697 -10.153 -10.826 1.00 0.28 C ATOM 1240 C LYS A 579 -3.642 -8.811 -10.110 1.00 0.25 C ATOM 1241 O LYS A 579 -3.878 -8.741 -8.902 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.848 -10.963 -10.225 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.319 -12.131 -11.070 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.588 -12.745 -10.492 1.00 0.69 C ATOM 1245 CE LYS A 579 -7.762 -11.770 -10.534 1.00 1.69 C ATOM 1246 NZ LYS A 579 -8.194 -11.468 -11.924 1.00 2.46 N ATOM 0 H LYS A 579 -2.021 -10.816 -9.764 1.00 0.29 H new ATOM 0 HA LYS A 579 -3.869 -10.003 -11.892 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.537 -11.341 -9.251 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.692 -10.295 -10.053 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.505 -11.795 -12.090 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.535 -12.887 -11.121 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.843 -13.645 -11.051 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.407 -13.051 -9.462 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -8.600 -12.190 -9.978 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -7.480 -10.843 -10.034 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.073 -10.913 -11.901 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.452 -10.922 -12.407 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.359 -12.357 -12.437 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.339 -7.730 -10.831 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.324 -6.383 -10.255 1.00 0.25 C ATOM 1262 C PRO A 580 -4.727 -5.927 -9.852 1.00 0.22 C ATOM 1263 O PRO A 580 -5.728 -6.473 -10.327 1.00 0.22 O ATOM 1264 CB PRO A 580 -2.768 -5.517 -11.385 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.074 -6.270 -12.631 1.00 0.37 C ATOM 1266 CD PRO A 580 -2.985 -7.724 -12.262 1.00 0.32 C ATOM 0 HA PRO A 580 -2.731 -6.326 -9.342 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.235 -4.532 -11.394 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.695 -5.360 -11.271 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.067 -6.021 -13.004 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.365 -6.023 -13.421 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.673 -8.332 -12.850 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -1.984 -8.122 -12.431 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.801 -4.928 -8.984 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.085 -4.450 -8.490 1.00 0.22 C ATOM 1276 C ALA A 581 -6.597 -3.331 -9.373 1.00 0.20 C ATOM 1277 O ALA A 581 -5.845 -2.449 -9.761 1.00 0.19 O ATOM 1278 CB ALA A 581 -5.955 -3.957 -7.059 1.00 0.27 C ATOM 0 H ALA A 581 -3.991 -4.434 -8.609 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.794 -5.278 -8.512 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.924 -3.604 -6.706 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.613 -4.773 -6.423 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.235 -3.140 -7.020 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.870 -3.373 -9.698 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.435 -2.423 -10.635 1.00 0.26 C ATOM 1286 C ILE A 582 -9.192 -1.316 -9.910 1.00 0.28 C ATOM 1287 O ILE A 582 -10.164 -1.575 -9.201 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.380 -3.136 -11.623 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.649 -4.292 -12.315 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.916 -2.154 -12.650 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.537 -5.122 -13.220 1.00 0.51 C ATOM 0 H ILE A 582 -8.534 -4.053 -9.329 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.610 -1.974 -11.187 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.224 -3.542 -11.065 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.824 -3.888 -12.902 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.213 -4.941 -11.555 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.581 -2.675 -13.339 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.467 -1.362 -12.143 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -9.085 -1.720 -13.206 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.949 -5.920 -13.674 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.348 -5.556 -12.635 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.953 -4.488 -14.003 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.731 -0.087 -10.084 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.426 1.083 -9.567 1.00 0.33 C ATOM 1305 C ILE A 583 -9.676 2.071 -10.693 1.00 0.36 C ATOM 1306 O ILE A 583 -8.732 2.637 -11.242 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.622 1.795 -8.454 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.535 0.927 -7.195 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.248 3.146 -8.130 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.866 0.704 -6.512 1.00 0.51 C ATOM 0 H ILE A 583 -7.869 0.128 -10.585 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.367 0.736 -9.141 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.608 1.958 -8.819 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.107 -0.040 -7.461 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.849 1.396 -6.489 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.671 3.635 -7.345 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.248 3.771 -9.023 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.273 3.000 -7.790 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.722 0.081 -5.629 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.287 1.664 -6.213 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.549 0.206 -7.200 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.943 2.255 -11.048 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.330 3.204 -12.090 1.00 0.47 C ATOM 1324 C ASN A 584 -10.636 2.861 -13.399 1.00 0.45 C ATOM 1325 O ASN A 584 -10.230 3.741 -14.161 1.00 0.50 O ATOM 1326 CB ASN A 584 -11.009 4.645 -11.676 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.856 5.132 -10.514 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.254 4.357 -9.641 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -12.138 6.422 -10.494 1.00 0.91 N ATOM 0 H ASN A 584 -11.726 1.756 -10.627 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.408 3.129 -12.232 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.956 4.713 -11.404 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.161 5.305 -12.530 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.703 6.809 -9.738 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.790 7.032 -11.234 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.494 1.564 -13.637 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.860 1.084 -14.844 1.00 0.44 C ATOM 1338 C GLY A 585 -8.348 1.027 -14.747 1.00 0.39 C ATOM 1339 O GLY A 585 -7.683 0.586 -15.686 1.00 0.42 O ATOM 0 H GLY A 585 -10.812 0.829 -13.005 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.240 0.089 -15.074 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.139 1.732 -15.675 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.796 1.455 -13.621 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.351 1.474 -13.454 1.00 0.32 C ATOM 1345 C GLU A 586 -5.877 0.290 -12.629 1.00 0.24 C ATOM 1346 O GLU A 586 -6.364 0.048 -11.525 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.916 2.782 -12.797 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.150 3.996 -13.676 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.243 4.018 -14.889 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.282 4.811 -14.895 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.474 3.240 -15.835 1.00 1.79 O ATOM 0 H GLU A 586 -8.323 1.791 -12.815 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.895 1.400 -14.441 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.459 2.909 -11.860 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.857 2.721 -12.546 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.190 4.008 -14.004 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.990 4.901 -13.090 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.940 -0.453 -13.197 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.348 -1.601 -12.528 1.00 0.19 C ATOM 1360 C LYS A 587 -3.259 -1.174 -11.546 1.00 0.17 C ATOM 1361 O LYS A 587 -2.214 -0.652 -11.940 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.782 -2.564 -13.567 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.837 -3.100 -14.520 1.00 0.33 C ATOM 1364 CD LYS A 587 -4.244 -4.069 -15.526 1.00 1.14 C ATOM 1365 CE LYS A 587 -5.307 -4.620 -16.463 1.00 1.10 C ATOM 1366 NZ LYS A 587 -4.752 -5.640 -17.390 1.00 1.67 N ATOM 0 H LYS A 587 -4.570 -0.278 -14.131 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.127 -2.104 -11.955 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -3.007 -2.056 -14.141 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.304 -3.400 -13.056 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.621 -3.600 -13.951 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -5.306 -2.270 -15.048 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -3.472 -3.565 -16.107 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.760 -4.892 -14.999 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.114 -5.062 -15.878 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.742 -3.803 -17.039 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -5.508 -5.991 -18.012 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -3.999 -5.212 -17.967 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -4.360 -6.431 -16.841 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.518 -1.417 -10.269 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.620 -1.024 -9.196 1.00 0.15 C ATOM 1382 C LEU A 588 -1.451 -1.986 -9.078 1.00 0.17 C ATOM 1383 O LEU A 588 -1.609 -3.198 -9.232 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.367 -0.995 -7.864 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.672 -0.203 -7.856 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.250 -0.164 -6.455 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.454 1.202 -8.386 1.00 0.16 C ATOM 0 H LEU A 588 -4.361 -1.894 -9.948 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.241 -0.030 -9.434 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.584 -2.021 -7.567 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.705 -0.577 -7.106 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.384 -0.702 -8.513 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.181 0.403 -6.461 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.447 -1.180 -6.114 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.539 0.313 -5.781 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.398 1.747 -8.371 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.727 1.718 -7.760 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.081 1.151 -9.409 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.284 -1.437 -8.799 1.00 0.17 N ATOM 1400 CA LEU A 589 0.907 -2.242 -8.603 1.00 0.19 C ATOM 1401 C LEU A 589 1.371 -2.158 -7.150 1.00 0.18 C ATOM 1402 O LEU A 589 1.790 -1.095 -6.692 1.00 0.18 O ATOM 1403 CB LEU A 589 2.018 -1.779 -9.548 1.00 0.23 C ATOM 1404 CG LEU A 589 3.326 -2.563 -9.454 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.098 -4.018 -9.825 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.381 -1.946 -10.358 1.00 0.38 C ATOM 0 H LEU A 589 -0.135 -0.433 -8.703 1.00 0.17 H new ATOM 0 HA LEU A 589 0.669 -3.281 -8.829 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.650 -1.840 -10.572 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.228 -0.728 -9.347 1.00 0.23 H new ATOM 0 HG LEU A 589 3.683 -2.518 -8.425 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.039 -4.564 -9.753 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.371 -4.458 -9.143 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.721 -4.078 -10.846 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.306 -2.516 -10.279 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.031 -1.963 -11.390 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.563 -0.915 -10.054 1.00 0.38 H new ATOM 1418 N ILE A 590 1.264 -3.266 -6.424 1.00 0.18 N ATOM 1419 CA ILE A 590 1.763 -3.331 -5.055 1.00 0.18 C ATOM 1420 C ILE A 590 3.095 -4.074 -5.023 1.00 0.20 C ATOM 1421 O ILE A 590 3.162 -5.251 -5.377 1.00 0.26 O ATOM 1422 CB ILE A 590 0.761 -4.039 -4.107 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.595 -3.319 -4.116 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.319 -4.116 -2.689 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.566 -3.809 -3.056 1.00 0.21 C ATOM 0 H ILE A 590 0.837 -4.129 -6.760 1.00 0.18 H new ATOM 0 HA ILE A 590 1.894 -2.307 -4.706 1.00 0.18 H new ATOM 0 HB ILE A 590 0.611 -5.056 -4.470 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.428 -2.251 -3.974 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -1.053 -3.442 -5.097 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.599 -4.617 -2.041 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.253 -4.678 -2.696 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.504 -3.109 -2.316 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.499 -3.250 -3.130 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.766 -4.870 -3.208 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.131 -3.660 -2.068 1.00 0.21 H new ATOM 1437 N ARG A 591 4.150 -3.381 -4.602 1.00 0.18 N ATOM 1438 CA ARG A 591 5.491 -3.960 -4.525 1.00 0.22 C ATOM 1439 C ARG A 591 6.240 -3.367 -3.339 1.00 0.18 C ATOM 1440 O ARG A 591 5.825 -2.354 -2.781 1.00 0.19 O ATOM 1441 CB ARG A 591 6.282 -3.712 -5.817 1.00 0.33 C ATOM 1442 CG ARG A 591 5.788 -4.524 -7.001 1.00 0.45 C ATOM 1443 CD ARG A 591 6.672 -4.333 -8.222 1.00 0.65 C ATOM 1444 NE ARG A 591 6.183 -5.096 -9.369 1.00 1.33 N ATOM 1445 CZ ARG A 591 6.689 -5.013 -10.597 1.00 1.69 C ATOM 1446 NH1 ARG A 591 7.720 -4.216 -10.849 1.00 1.56 N ATOM 1447 NH2 ARG A 591 6.155 -5.729 -11.578 1.00 2.62 N ATOM 0 H ARG A 591 4.101 -2.406 -4.305 1.00 0.18 H new ATOM 0 HA ARG A 591 5.388 -5.037 -4.394 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.229 -2.652 -6.067 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.332 -3.946 -5.640 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.762 -5.580 -6.732 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.766 -4.231 -7.242 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.713 -3.275 -8.480 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.690 -4.643 -7.986 1.00 0.65 H new ATOM 0 HE ARG A 591 5.402 -5.734 -9.218 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.131 -3.661 -10.098 1.00 1.56 H new ATOM 0 HH12 ARG A 591 8.101 -4.159 -11.793 1.00 1.56 H new ATOM 0 HH21 ARG A 591 5.360 -6.340 -11.389 1.00 2.62 H new ATOM 0 HH22 ARG A 591 6.539 -5.669 -12.521 1.00 2.62 H new ATOM 1461 N MET A 592 7.347 -3.984 -2.961 1.00 0.17 N ATOM 1462 CA MET A 592 8.091 -3.541 -1.791 1.00 0.18 C ATOM 1463 C MET A 592 8.979 -2.358 -2.148 1.00 0.21 C ATOM 1464 O MET A 592 9.418 -2.225 -3.292 1.00 0.29 O ATOM 1465 CB MET A 592 8.937 -4.674 -1.212 1.00 0.19 C ATOM 1466 CG MET A 592 8.116 -5.835 -0.678 1.00 0.22 C ATOM 1467 SD MET A 592 9.121 -7.024 0.228 1.00 0.29 S ATOM 1468 CE MET A 592 7.898 -8.260 0.645 1.00 0.34 C ATOM 0 H MET A 592 7.749 -4.788 -3.443 1.00 0.17 H new ATOM 0 HA MET A 592 7.371 -3.232 -1.033 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.613 -5.043 -1.984 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.557 -4.278 -0.408 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.332 -5.452 -0.024 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.621 -6.339 -1.508 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.154 -8.717 1.601 1.00 0.34 H new ATOM 0 HE2 MET A 592 6.917 -7.791 0.718 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.877 -9.027 -0.129 1.00 0.34 H new ATOM 1478 N SER A 593 9.235 -1.496 -1.175 1.00 0.23 N ATOM 1479 CA SER A 593 10.035 -0.308 -1.416 1.00 0.26 C ATOM 1480 C SER A 593 11.497 -0.553 -1.071 1.00 0.25 C ATOM 1481 O SER A 593 11.827 -1.104 -0.018 1.00 0.27 O ATOM 1482 CB SER A 593 9.487 0.864 -0.621 1.00 0.34 C ATOM 1483 OG SER A 593 8.110 1.039 -0.885 1.00 1.37 O ATOM 0 H SER A 593 8.902 -1.597 -0.216 1.00 0.23 H new ATOM 0 HA SER A 593 9.978 -0.068 -2.478 1.00 0.26 H new ATOM 0 HB2 SER A 593 9.640 0.692 0.444 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.031 1.772 -0.879 1.00 0.34 H new ATOM 0 HG SER A 593 7.608 0.282 -0.518 1.00 1.37 H new ATOM 1489 N THR A 594 12.350 -0.094 -1.964 1.00 0.27 N ATOM 1490 CA THR A 594 13.770 -0.390 -1.909 1.00 0.30 C ATOM 1491 C THR A 594 14.550 0.645 -1.101 1.00 0.31 C ATOM 1492 O THR A 594 15.728 0.447 -0.801 1.00 0.33 O ATOM 1493 CB THR A 594 14.347 -0.476 -3.329 1.00 0.35 C ATOM 1494 OG1 THR A 594 14.026 0.719 -4.054 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.784 -1.684 -4.063 1.00 0.38 C ATOM 0 H THR A 594 12.079 0.496 -2.751 1.00 0.27 H new ATOM 0 HA THR A 594 13.877 -1.350 -1.404 1.00 0.30 H new ATOM 0 HB THR A 594 15.430 -0.582 -3.259 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.853 1.164 -4.333 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.205 -1.728 -5.068 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.044 -2.593 -3.521 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.699 -1.598 -4.127 1.00 0.38 H new ATOM 1503 N ARG A 595 13.895 1.739 -0.732 1.00 0.32 N ATOM 1504 CA ARG A 595 14.602 2.856 -0.120 1.00 0.37 C ATOM 1505 C ARG A 595 14.402 2.918 1.393 1.00 0.37 C ATOM 1506 O ARG A 595 15.278 3.385 2.121 1.00 0.41 O ATOM 1507 CB ARG A 595 14.165 4.177 -0.753 1.00 0.41 C ATOM 1508 CG ARG A 595 14.493 4.279 -2.231 1.00 0.46 C ATOM 1509 CD ARG A 595 14.264 5.685 -2.753 1.00 0.56 C ATOM 1510 NE ARG A 595 15.109 6.663 -2.067 1.00 1.36 N ATOM 1511 CZ ARG A 595 15.172 7.951 -2.388 1.00 1.67 C ATOM 1512 NH1 ARG A 595 14.457 8.425 -3.402 1.00 1.16 N ATOM 1513 NH2 ARG A 595 15.958 8.766 -1.696 1.00 2.75 N ATOM 0 H ARG A 595 12.890 1.876 -0.844 1.00 0.32 H new ATOM 0 HA ARG A 595 15.664 2.694 -0.304 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.090 4.297 -0.619 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.646 5.000 -0.225 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.532 3.993 -2.395 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.876 3.576 -2.791 1.00 0.46 H new ATOM 0 HD2 ARG A 595 14.470 5.714 -3.823 1.00 0.56 H new ATOM 0 HD3 ARG A 595 13.216 5.955 -2.623 1.00 0.56 H new ATOM 0 HE ARG A 595 15.687 6.335 -1.293 1.00 1.36 H new ATOM 0 HH11 ARG A 595 13.856 7.800 -3.939 1.00 1.16 H new ATOM 0 HH12 ARG A 595 14.509 9.414 -3.644 1.00 1.16 H new ATOM 0 HH21 ARG A 595 16.512 8.403 -0.920 1.00 2.75 H new ATOM 0 HH22 ARG A 595 16.008 9.755 -1.940 1.00 2.75 H new ATOM 1527 N TYR A 596 13.262 2.435 1.868 1.00 0.35 N ATOM 1528 CA TYR A 596 12.907 2.590 3.277 1.00 0.37 C ATOM 1529 C TYR A 596 12.547 1.261 3.925 1.00 0.35 C ATOM 1530 O TYR A 596 12.167 0.300 3.248 1.00 0.36 O ATOM 1531 CB TYR A 596 11.725 3.548 3.424 1.00 0.39 C ATOM 1532 CG TYR A 596 12.013 4.973 3.006 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.719 5.412 1.722 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.561 5.882 3.903 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.964 6.715 1.343 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.811 7.188 3.529 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.510 7.600 2.249 1.00 0.56 C ATOM 1538 OH TYR A 596 12.749 8.902 1.875 1.00 0.65 O ATOM 0 H TYR A 596 12.571 1.937 1.307 1.00 0.35 H new ATOM 0 HA TYR A 596 13.784 2.993 3.783 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.892 3.170 2.830 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.401 3.547 4.465 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.292 4.722 1.009 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.795 5.562 4.908 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.729 7.041 0.341 1.00 0.54 H new ATOM 0 HE2 TYR A 596 13.240 7.883 4.236 1.00 0.61 H new ATOM 0 HH TYR A 596 12.041 9.203 1.267 1.00 0.65 H new ATOM 1548 N LYS A 597 12.670 1.226 5.247 1.00 0.38 N ATOM 1549 CA LYS A 597 12.304 0.058 6.034 1.00 0.41 C ATOM 1550 C LYS A 597 11.029 0.298 6.828 1.00 0.41 C ATOM 1551 O LYS A 597 10.355 -0.649 7.209 1.00 0.48 O ATOM 1552 CB LYS A 597 13.419 -0.319 7.003 1.00 0.50 C ATOM 1553 CG LYS A 597 14.667 -0.859 6.328 1.00 0.62 C ATOM 1554 CD LYS A 597 15.785 -1.081 7.333 1.00 1.29 C ATOM 1555 CE LYS A 597 16.193 0.222 8.001 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.262 0.022 9.014 1.00 2.18 N ATOM 0 H LYS A 597 13.026 2.005 5.801 1.00 0.38 H new ATOM 0 HA LYS A 597 12.139 -0.757 5.329 1.00 0.41 H new ATOM 0 HB2 LYS A 597 13.687 0.559 7.591 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.043 -1.067 7.700 1.00 0.50 H new ATOM 0 HG2 LYS A 597 14.434 -1.798 5.826 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.999 -0.161 5.560 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.460 -1.794 8.090 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.647 -1.520 6.831 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.540 0.924 7.243 1.00 1.67 H new ATOM 0 HE3 LYS A 597 15.322 0.672 8.478 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.509 0.936 9.444 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.923 -0.627 9.752 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.103 -0.383 8.556 1.00 2.18 H new ATOM 1570 N GLU A 598 10.683 1.558 7.078 1.00 0.38 N ATOM 1571 CA GLU A 598 9.505 1.850 7.886 1.00 0.41 C ATOM 1572 C GLU A 598 8.744 3.067 7.354 1.00 0.34 C ATOM 1573 O GLU A 598 9.328 3.981 6.768 1.00 0.33 O ATOM 1574 CB GLU A 598 9.947 2.101 9.332 1.00 0.55 C ATOM 1575 CG GLU A 598 8.805 2.381 10.296 1.00 0.62 C ATOM 1576 CD GLU A 598 9.299 2.772 11.672 1.00 0.80 C ATOM 1577 OE1 GLU A 598 9.481 1.876 12.522 1.00 0.95 O ATOM 1578 OE2 GLU A 598 9.519 3.979 11.909 1.00 0.91 O ATOM 0 H GLU A 598 11.190 2.377 6.741 1.00 0.38 H new ATOM 0 HA GLU A 598 8.830 0.995 7.839 1.00 0.41 H new ATOM 0 HB2 GLU A 598 10.501 1.232 9.686 1.00 0.55 H new ATOM 0 HB3 GLU A 598 10.636 2.946 9.348 1.00 0.55 H new ATOM 0 HG2 GLU A 598 8.182 3.180 9.895 1.00 0.62 H new ATOM 0 HG3 GLU A 598 8.175 1.495 10.377 1.00 0.62 H new ATOM 1585 N LEU A 599 7.431 3.056 7.573 1.00 0.36 N ATOM 1586 CA LEU A 599 6.570 4.171 7.190 1.00 0.32 C ATOM 1587 C LEU A 599 6.391 5.143 8.347 1.00 0.33 C ATOM 1588 O LEU A 599 5.987 4.752 9.441 1.00 0.37 O ATOM 1589 CB LEU A 599 5.188 3.670 6.754 1.00 0.33 C ATOM 1590 CG LEU A 599 5.168 2.685 5.585 1.00 0.37 C ATOM 1591 CD1 LEU A 599 3.741 2.366 5.188 1.00 0.45 C ATOM 1592 CD2 LEU A 599 5.919 3.239 4.395 1.00 0.33 C ATOM 0 H LEU A 599 6.938 2.281 8.017 1.00 0.36 H new ATOM 0 HA LEU A 599 7.054 4.681 6.357 1.00 0.32 H new ATOM 0 HB2 LEU A 599 4.709 3.196 7.611 1.00 0.33 H new ATOM 0 HB3 LEU A 599 4.579 4.533 6.486 1.00 0.33 H new ATOM 0 HG LEU A 599 5.662 1.770 5.910 1.00 0.37 H new ATOM 0 HD11 LEU A 599 3.744 1.664 4.355 1.00 0.45 H new ATOM 0 HD12 LEU A 599 3.218 1.922 6.035 1.00 0.45 H new ATOM 0 HD13 LEU A 599 3.233 3.283 4.888 1.00 0.45 H new ATOM 0 HD21 LEU A 599 5.889 2.518 3.578 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.455 4.171 4.074 1.00 0.33 H new ATOM 0 HD23 LEU A 599 6.956 3.428 4.675 1.00 0.33 H new ATOM 1604 N GLN A 600 6.684 6.410 8.094 1.00 0.36 N ATOM 1605 CA GLN A 600 6.538 7.446 9.101 1.00 0.44 C ATOM 1606 C GLN A 600 5.184 8.133 8.959 1.00 0.39 C ATOM 1607 O GLN A 600 4.939 8.856 7.991 1.00 0.43 O ATOM 1608 CB GLN A 600 7.672 8.465 8.979 1.00 0.59 C ATOM 1609 CG GLN A 600 7.643 9.548 10.043 1.00 0.85 C ATOM 1610 CD GLN A 600 8.842 10.467 9.958 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.928 10.059 9.545 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.657 11.717 10.350 1.00 1.34 N ATOM 0 H GLN A 600 7.026 6.745 7.193 1.00 0.36 H new ATOM 0 HA GLN A 600 6.590 6.986 10.088 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.626 7.941 9.034 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.622 8.934 7.996 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.730 10.134 9.937 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.612 9.085 11.029 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.741 12.016 10.686 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.430 12.382 10.316 1.00 1.34 H new ATOM 1621 N LEU A 601 4.306 7.891 9.923 1.00 0.37 N ATOM 1622 CA LEU A 601 2.962 8.449 9.888 1.00 0.34 C ATOM 1623 C LEU A 601 2.971 9.930 10.241 1.00 0.39 C ATOM 1624 O LEU A 601 2.836 10.311 11.407 1.00 0.46 O ATOM 1625 CB LEU A 601 2.032 7.689 10.836 1.00 0.36 C ATOM 1626 CG LEU A 601 1.778 6.224 10.471 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.829 5.588 11.473 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.219 6.112 9.058 1.00 0.32 C ATOM 0 H LEU A 601 4.501 7.311 10.739 1.00 0.37 H new ATOM 0 HA LEU A 601 2.588 8.341 8.870 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.454 7.728 11.840 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.074 8.208 10.872 1.00 0.36 H new ATOM 0 HG LEU A 601 2.727 5.689 10.505 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.657 4.547 11.201 1.00 0.46 H new ATOM 0 HD12 LEU A 601 1.267 5.635 12.470 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.119 6.125 11.468 1.00 0.46 H new ATOM 0 HD21 LEU A 601 1.045 5.063 8.818 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.279 6.659 8.994 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.933 6.533 8.350 1.00 0.32 H new ATOM 1640 N LYS A 602 3.148 10.758 9.222 1.00 0.41 N ATOM 1641 CA LYS A 602 3.110 12.205 9.382 1.00 0.48 C ATOM 1642 C LYS A 602 1.675 12.694 9.524 1.00 0.46 C ATOM 1643 O LYS A 602 1.430 13.829 9.937 1.00 0.51 O ATOM 1644 CB LYS A 602 3.761 12.890 8.179 1.00 0.59 C ATOM 1645 CG LYS A 602 5.252 12.647 8.059 1.00 0.69 C ATOM 1646 CD LYS A 602 5.829 13.392 6.867 1.00 0.93 C ATOM 1647 CE LYS A 602 7.346 13.428 6.911 1.00 1.49 C ATOM 1648 NZ LYS A 602 7.855 14.264 8.033 1.00 1.73 N ATOM 0 H LYS A 602 3.321 10.448 8.266 1.00 0.41 H new ATOM 0 HA LYS A 602 3.663 12.458 10.287 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.273 12.542 7.269 1.00 0.59 H new ATOM 0 HB3 LYS A 602 3.583 13.963 8.246 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.752 12.971 8.972 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.443 11.579 7.953 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.503 12.912 5.944 1.00 0.93 H new ATOM 0 HD3 LYS A 602 5.441 14.410 6.851 1.00 0.93 H new ATOM 0 HE2 LYS A 602 7.729 12.413 7.013 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.726 13.819 5.967 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 8.849 14.513 7.857 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.288 15.133 8.104 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 7.784 13.731 8.923 1.00 1.73 H new ATOM 1662 N LYS A 603 0.731 11.836 9.174 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.677 12.196 9.191 1.00 0.48 C ATOM 1664 C LYS A 603 -1.423 11.392 10.249 1.00 0.54 C ATOM 1665 O LYS A 603 -0.985 10.305 10.633 1.00 0.62 O ATOM 1666 CB LYS A 603 -1.287 11.973 7.803 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.713 12.901 6.740 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.916 14.360 7.118 1.00 0.79 C ATOM 1669 CE LYS A 603 -0.340 15.302 6.076 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.499 16.725 6.474 1.00 1.69 N ATOM 0 H LYS A 603 0.916 10.879 8.873 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.770 13.251 9.447 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -1.120 10.939 7.502 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -2.366 12.119 7.859 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.351 12.700 6.613 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -1.192 12.701 5.781 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.981 14.559 7.238 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.445 14.554 8.082 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.717 15.081 5.930 1.00 0.90 H new ATOM 0 HE3 LYS A 603 -0.836 15.134 5.120 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -0.094 17.339 5.738 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -1.509 16.943 6.589 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -0.005 16.891 7.374 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.549 11.936 10.751 1.00 0.67 N ATOM 1685 CA PRO A 604 -3.362 11.292 11.791 1.00 0.81 C ATOM 1686 C PRO A 604 -4.123 10.071 11.275 1.00 0.80 C ATOM 1687 O PRO A 604 -5.354 10.070 11.234 1.00 1.21 O ATOM 1688 CB PRO A 604 -4.340 12.391 12.209 1.00 1.01 C ATOM 1689 CG PRO A 604 -4.461 13.265 11.011 1.00 1.04 C ATOM 1690 CD PRO A 604 -3.113 13.242 10.348 1.00 0.82 C ATOM 0 HA PRO A 604 -2.746 10.914 12.606 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -5.306 11.974 12.494 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.967 12.947 13.069 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -5.235 12.898 10.336 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -4.740 14.280 11.294 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -3.198 13.325 9.264 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -2.487 14.069 10.683 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.371 9.045 10.884 1.00 0.68 N ATOM 1699 CA GLY A 605 -3.945 7.803 10.418 1.00 0.80 C ATOM 1700 C GLY A 605 -5.016 7.276 11.344 1.00 0.84 C ATOM 1701 O GLY A 605 -4.739 6.905 12.487 1.00 1.23 O ATOM 0 H GLY A 605 -2.351 9.059 10.884 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -4.369 7.953 9.425 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.156 7.057 10.318 1.00 0.80 H new ATOM 1705 N LYS A 606 -6.236 7.270 10.846 1.00 0.92 N ATOM 1706 CA LYS A 606 -7.388 6.784 11.595 1.00 1.10 C ATOM 1707 C LYS A 606 -7.250 5.295 11.902 1.00 0.81 C ATOM 1708 O LYS A 606 -6.380 4.617 11.351 1.00 0.82 O ATOM 1709 CB LYS A 606 -8.663 7.041 10.796 1.00 1.50 C ATOM 1710 CG LYS A 606 -8.854 8.502 10.418 1.00 1.82 C ATOM 1711 CD LYS A 606 -10.106 8.711 9.581 1.00 2.34 C ATOM 1712 CE LYS A 606 -11.357 8.284 10.329 1.00 2.84 C ATOM 1713 NZ LYS A 606 -11.531 9.031 11.603 1.00 3.47 N ATOM 0 H LYS A 606 -6.462 7.602 9.908 1.00 0.92 H new ATOM 0 HA LYS A 606 -7.440 7.321 12.542 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -8.642 6.438 9.888 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -9.522 6.709 11.379 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -8.917 9.106 11.323 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -7.983 8.850 9.862 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -10.188 9.762 9.304 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -10.024 8.143 8.654 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -12.229 8.442 9.695 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -11.306 7.216 10.540 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -12.480 8.847 11.986 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -10.814 8.719 12.289 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -11.420 10.050 11.426 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.100 4.794 12.795 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.062 3.393 13.199 1.00 0.48 C ATOM 1729 C ASN A 607 -8.339 2.483 12.008 1.00 0.43 C ATOM 1730 O ASN A 607 -9.407 2.542 11.400 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.089 3.140 14.308 1.00 0.59 C ATOM 1732 CG ASN A 607 -8.986 1.748 14.904 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -7.911 1.151 14.940 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -10.103 1.223 15.381 1.00 1.33 N ATOM 0 H ASN A 607 -8.827 5.342 13.254 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.065 3.168 13.579 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -8.952 3.879 15.098 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.092 3.284 13.907 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -10.092 0.292 15.797 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -10.975 1.750 15.333 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.383 1.621 11.705 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.444 0.778 10.520 1.00 0.22 C ATOM 1743 C VAL A 608 -8.394 -0.406 10.727 1.00 0.21 C ATOM 1744 O VAL A 608 -8.880 -1.005 9.766 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.025 0.289 10.139 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.048 -0.580 8.897 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.098 1.478 9.926 1.00 0.27 C ATOM 0 H VAL A 608 -6.545 1.485 12.270 1.00 0.30 H new ATOM 0 HA VAL A 608 -7.840 1.374 9.697 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.651 -0.317 10.964 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.034 -0.904 8.661 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.676 -1.453 9.075 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.450 -0.009 8.061 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.104 1.121 9.659 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.487 2.103 9.122 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.039 2.062 10.844 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.681 -0.722 11.986 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.632 -1.783 12.315 1.00 0.33 C ATOM 1759 C ALA A 609 -11.015 -1.480 11.734 1.00 0.32 C ATOM 1760 O ALA A 609 -11.733 -2.382 11.286 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.719 -1.968 13.822 1.00 0.44 C ATOM 0 H ALA A 609 -8.270 -0.259 12.797 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.273 -2.710 11.868 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.431 -2.761 14.051 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.738 -2.237 14.213 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.051 -1.038 14.284 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.375 -0.201 11.725 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.650 0.231 11.169 1.00 0.35 C ATOM 1769 C ALA A 610 -12.705 -0.056 9.676 1.00 0.30 C ATOM 1770 O ALA A 610 -13.771 -0.298 9.114 1.00 0.31 O ATOM 1771 CB ALA A 610 -12.867 1.711 11.432 1.00 0.40 C ATOM 0 H ALA A 610 -10.800 0.555 12.097 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.447 -0.329 11.657 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -13.824 2.019 11.011 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -12.868 1.893 12.507 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.065 2.285 10.968 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.540 -0.044 9.045 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.436 -0.300 7.621 1.00 0.23 C ATOM 1779 C ILE A 611 -11.710 -1.780 7.335 1.00 0.22 C ATOM 1780 O ILE A 611 -12.230 -2.136 6.276 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.047 0.120 7.089 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -9.830 1.610 7.364 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -9.936 -0.158 5.598 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.464 2.112 6.964 1.00 0.23 C ATOM 0 H ILE A 611 -10.648 0.142 9.504 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.184 0.298 7.101 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.280 -0.462 7.601 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.588 2.182 6.829 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -9.979 1.799 8.427 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -8.951 0.145 5.244 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.076 -1.223 5.415 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.702 0.405 5.065 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.387 3.176 7.190 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.700 1.567 7.518 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.318 1.957 5.895 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.361 -2.640 8.294 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.720 -4.057 8.225 1.00 0.24 C ATOM 1798 C ILE A 612 -13.236 -4.200 8.218 1.00 0.27 C ATOM 1799 O ILE A 612 -13.799 -5.012 7.483 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.158 -4.850 9.431 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.654 -4.616 9.582 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.447 -6.338 9.269 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.069 -5.222 10.838 1.00 0.31 C ATOM 0 H ILE A 612 -10.831 -2.380 9.126 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.288 -4.461 7.309 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.653 -4.493 10.334 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.141 -5.033 8.715 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.460 -3.543 9.582 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.046 -6.882 10.124 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.524 -6.495 9.212 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -10.978 -6.702 8.355 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -7.999 -5.016 10.877 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.555 -4.788 11.712 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.231 -6.300 10.831 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.892 -3.380 9.033 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.353 -3.359 9.091 1.00 0.35 C ATOM 1817 C GLN A 613 -15.916 -2.920 7.740 1.00 0.34 C ATOM 1818 O GLN A 613 -16.959 -3.402 7.294 1.00 0.37 O ATOM 1819 CB GLN A 613 -15.826 -2.401 10.184 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.233 -2.692 11.555 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.671 -1.689 12.607 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -15.743 -2.005 13.794 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.970 -0.470 12.182 1.00 2.31 N ATOM 0 H GLN A 613 -13.436 -2.720 9.663 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.711 -4.362 9.324 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.569 -1.381 9.896 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -16.913 -2.449 10.251 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.527 -3.693 11.869 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.145 -2.687 11.485 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -15.899 -0.244 11.190 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.271 0.242 12.847 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.186 -2.015 7.093 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.562 -1.520 5.771 1.00 0.33 C ATOM 1834 C ASP A 614 -15.491 -2.640 4.745 1.00 0.30 C ATOM 1835 O ASP A 614 -16.360 -2.761 3.885 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.669 -0.356 5.329 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.159 0.981 5.841 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.632 1.466 6.860 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.081 1.556 5.227 1.00 1.09 O ATOM 0 H ASP A 614 -14.328 -1.608 7.464 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.587 -1.155 5.838 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.653 -0.527 5.685 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.625 -0.330 4.240 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.461 -3.471 4.849 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.317 -4.621 3.962 1.00 0.27 C ATOM 1846 C ILE A 615 -15.473 -5.592 4.162 1.00 0.32 C ATOM 1847 O ILE A 615 -15.950 -6.212 3.215 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.987 -5.366 4.199 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.815 -4.433 3.943 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.888 -6.592 3.301 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.470 -5.054 4.216 1.00 0.18 C ATOM 0 H ILE A 615 -13.714 -3.371 5.537 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.322 -4.241 2.941 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.958 -5.698 5.237 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.847 -4.101 2.905 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.927 -3.545 4.565 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.942 -7.102 3.485 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.714 -7.269 3.518 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.937 -6.283 2.257 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.685 -4.327 4.010 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.416 -5.360 5.261 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.335 -5.925 3.575 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.930 -5.704 5.402 1.00 0.37 N ATOM 1864 CA HIS A 616 -17.015 -6.617 5.734 1.00 0.46 C ATOM 1865 C HIS A 616 -18.305 -6.208 5.028 1.00 0.44 C ATOM 1866 O HIS A 616 -19.053 -7.061 4.550 1.00 0.46 O ATOM 1867 CB HIS A 616 -17.235 -6.667 7.249 1.00 0.59 C ATOM 1868 CG HIS A 616 -16.116 -7.317 8.007 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -16.045 -7.321 9.381 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -15.027 -7.997 7.575 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.963 -7.974 9.761 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -14.327 -8.398 8.685 1.00 0.82 N ATOM 0 H HIS A 616 -15.566 -5.174 6.194 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.734 -7.612 5.389 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -17.369 -5.651 7.620 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -18.160 -7.206 7.454 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.759 -8.188 6.546 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.650 -8.135 10.782 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -13.460 -8.934 8.679 1.00 0.82 H new ATOM 1881 N SER A 617 -18.553 -4.904 4.947 1.00 0.45 N ATOM 1882 CA SER A 617 -19.711 -4.393 4.233 1.00 0.51 C ATOM 1883 C SER A 617 -19.501 -4.457 2.720 1.00 0.49 C ATOM 1884 O SER A 617 -20.446 -4.673 1.962 1.00 0.57 O ATOM 1885 CB SER A 617 -20.022 -2.963 4.678 1.00 0.58 C ATOM 1886 OG SER A 617 -18.837 -2.269 5.028 1.00 1.18 O ATOM 0 H SER A 617 -17.965 -4.185 5.368 1.00 0.45 H new ATOM 0 HA SER A 617 -20.565 -5.026 4.475 1.00 0.51 H new ATOM 0 HB2 SER A 617 -20.534 -2.432 3.876 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.701 -2.984 5.531 1.00 0.58 H new ATOM 0 HG SER A 617 -18.117 -2.520 4.412 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.257 -4.262 2.292 1.00 0.49 N ATOM 1893 CA GLN A 618 -17.910 -4.334 0.873 1.00 0.58 C ATOM 1894 C GLN A 618 -17.996 -5.768 0.366 1.00 1.36 C ATOM 1895 O GLN A 618 -18.372 -5.996 -0.784 1.00 2.14 O ATOM 1896 CB GLN A 618 -16.496 -3.793 0.633 1.00 1.70 C ATOM 1897 CG GLN A 618 -16.341 -2.307 0.917 1.00 2.78 C ATOM 1898 CD GLN A 618 -17.213 -1.441 0.029 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -17.514 -1.798 -1.108 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -17.619 -0.294 0.543 1.00 4.68 N ATOM 0 H GLN A 618 -17.471 -4.053 2.907 1.00 0.49 H new ATOM 0 HA GLN A 618 -18.626 -3.720 0.326 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -15.796 -4.346 1.259 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -16.217 -3.985 -0.403 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -16.590 -2.114 1.961 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -15.297 -2.023 0.780 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -17.347 -0.035 1.491 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -18.205 0.333 -0.008 1.00 4.68 H new ATOM 1909 N ARG A 619 -17.648 -6.725 1.223 1.00 2.22 N ATOM 1910 CA ARG A 619 -17.648 -8.137 0.851 1.00 3.46 C ATOM 1911 C ARG A 619 -16.694 -8.375 -0.314 1.00 4.18 C ATOM 1912 O ARG A 619 -17.108 -8.745 -1.416 1.00 4.57 O ATOM 1913 CB ARG A 619 -19.063 -8.610 0.501 1.00 4.18 C ATOM 1914 CG ARG A 619 -19.985 -8.741 1.704 1.00 4.41 C ATOM 1915 CD ARG A 619 -19.789 -10.068 2.427 1.00 5.33 C ATOM 1916 NE ARG A 619 -18.454 -10.211 3.008 1.00 6.03 N ATOM 1917 CZ ARG A 619 -17.665 -11.273 2.819 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -18.045 -12.267 2.023 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -16.492 -11.338 3.424 1.00 7.77 N ATOM 0 H ARG A 619 -17.361 -6.546 2.185 1.00 2.22 H new ATOM 0 HA ARG A 619 -17.303 -8.719 1.706 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -19.504 -7.910 -0.208 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -18.999 -9.575 -0.002 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -19.799 -7.919 2.396 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -21.022 -8.654 1.378 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -20.535 -10.159 3.217 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -19.964 -10.886 1.728 1.00 5.33 H new ATOM 0 HE ARG A 619 -18.104 -9.453 3.594 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -18.947 -12.224 1.549 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -17.435 -13.073 1.886 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -16.190 -10.578 4.034 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -15.889 -12.148 3.281 1.00 7.77 H new ATOM 1933 N GLU A 620 -15.414 -8.145 -0.055 1.00 4.80 N ATOM 1934 CA GLU A 620 -14.392 -8.261 -1.080 1.00 5.84 C ATOM 1935 C GLU A 620 -14.092 -9.729 -1.379 1.00 6.68 C ATOM 1936 O GLU A 620 -14.308 -10.604 -0.537 1.00 7.20 O ATOM 1937 CB GLU A 620 -13.122 -7.521 -0.638 1.00 6.43 C ATOM 1938 CG GLU A 620 -12.047 -7.443 -1.709 1.00 6.93 C ATOM 1939 CD GLU A 620 -12.549 -6.809 -2.991 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -12.346 -5.594 -3.183 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -13.144 -7.527 -3.822 1.00 7.86 O ATOM 0 H GLU A 620 -15.060 -7.876 0.863 1.00 4.80 H new ATOM 0 HA GLU A 620 -14.760 -7.802 -1.998 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -13.391 -6.510 -0.333 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -12.710 -8.019 0.240 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -11.202 -6.868 -1.330 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -11.679 -8.446 -1.924 1.00 6.93 H new ATOM 1948 N ARG A 621 -13.603 -9.988 -2.582 1.00 7.11 N ATOM 1949 CA ARG A 621 -13.335 -11.345 -3.028 1.00 8.13 C ATOM 1950 C ARG A 621 -11.847 -11.640 -2.893 1.00 9.01 C ATOM 1951 O ARG A 621 -11.465 -12.372 -1.953 1.00 9.48 O ATOM 1952 CB ARG A 621 -13.778 -11.553 -4.488 1.00 8.49 C ATOM 1953 CG ARG A 621 -15.161 -10.998 -4.817 1.00 8.97 C ATOM 1954 CD ARG A 621 -15.100 -9.509 -5.127 1.00 9.41 C ATOM 1955 NE ARG A 621 -16.417 -8.913 -5.337 1.00 9.86 N ATOM 1956 CZ ARG A 621 -16.690 -7.628 -5.105 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -15.748 -6.820 -4.628 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -17.903 -7.148 -5.348 1.00 11.00 N ATOM 1959 OXT ARG A 621 -11.060 -11.106 -3.707 1.00 9.43 O ATOM 0 H ARG A 621 -13.382 -9.269 -3.271 1.00 7.11 H new ATOM 0 HA ARG A 621 -13.907 -12.030 -2.402 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -13.047 -11.084 -5.146 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -13.767 -12.620 -4.709 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -15.576 -11.533 -5.671 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -15.833 -11.169 -3.976 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -14.601 -8.993 -4.307 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -14.491 -9.354 -6.018 1.00 9.41 H new ATOM 0 HE ARG A 621 -17.168 -9.512 -5.680 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -14.814 -7.182 -4.438 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -15.960 -5.838 -4.452 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -18.631 -7.762 -5.714 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -18.108 -6.165 -5.169 1.00 11.00 H new TER 1973 ARG A 621