USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=38 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 602 LYS NZ :NH3+ -172:sc= 0.879 (180deg=0) USER MOD Set 1.2: B 4 U O2' : rot 137:sc= 0.857 USER MOD Set 2.1: A 553 MET CE :methyl -139:sc= -1.48 (180deg=-3.52!) USER MOD Set 2.2: A 556 THR OG1 : rot -170:sc= -0.118 USER MOD Set 3.1: A 548 THR OG1 : rot 180:sc= 0.0115 USER MOD Set 3.2: A 549 ASN :FLIP amide:sc= -0.0753 F(o=-2.4!,f=-0.064) USER MOD Set 4.1: A 535 ASN : amide:sc= 1.04 K(o=2.3,f=-10!) USER MOD Set 4.2: A 606 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0) USER MOD Set 5.1: A 531 SER OG : rot -42:sc= 0.588 USER MOD Set 5.2: A 584 ASN : amide:sc= -0.0134 K(o=0.57,f=-0.6) USER MOD Set 6.1: A 523 HIS : no HD1:sc= -1.53 K(o=-0.63,f=-5.9!) USER MOD Set 6.2: A 558 GLN : amide:sc= 0.287 K(o=-0.63,f=-2.7!) USER MOD Set 6.3: B 2 U O2' : rot -50:sc= 0.617 USER MOD Set 7.1: A 514 GLN : amide:sc= 0.833 K(o=2.1,f=-9!) USER MOD Set 7.2: A 516 LYS NZ :NH3+ 172:sc= 1.27 (180deg=0.068) USER MOD Single : A 512 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 525 CYS SG : rot 135:sc= -1.95! USER MOD Single : A 526 ASN : amide:sc= 0.507 K(o=0.51,f=-1.5) USER MOD Single : A 532 CYS SG : rot 18:sc= -0.804! USER MOD Single : A 533 THR OG1 : rot -130:sc= 1.85 USER MOD Single : A 539 ASN :FLIP amide:sc= -2.32 F(o=-3.7,f=-2.3) USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 29:sc= 1.78 USER MOD Single : A 554 LYS NZ :NH3+ 161:sc= 1.02 (180deg=0.514) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN :FLIP amide:sc= -0.0443 F(o=-1.9!,f=-0.044) USER MOD Single : A 563 MET CE :methyl -167:sc= -4.46! (180deg=-4.77!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 146:sc= 0.606 USER MOD Single : A 570 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 MET CE :methyl 168:sc= -4.35! (180deg=-5.06!) USER MOD Single : A 574 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.33) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot -155:sc= -0.246 USER MOD Single : A 577 GLN : amide:sc= -1.65 K(o=-1.6,f=-7.6!) USER MOD Single : A 579 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0582) USER MOD Single : A 587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 592 MET CE :methyl 160:sc= -0.136 (180deg=-0.299) USER MOD Single : A 593 SER OG : rot 83:sc= 1.43 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 613 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 616 HIS :FLIP no HE2:sc= 0.314 F(o=-1.1,f=0.31) USER MOD Single : A 617 SER OG : rot 71:sc= 1.23 USER MOD Single : A 618 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 1 ADN O2' : rot -145:sc= -0.16! USER MOD Single : B 1 ADN O5' : rot -18:sc= 0.355 USER MOD Single : B 3 C O2' : rot 17:sc= -0.0778 USER MOD Single : B 5 U O2' : rot 35:sc= 0.152 USER MOD Single : B 6 A O2' : rot 180:sc= 0 USER MOD Single : B 6 A O3' : rot 140:sc= 0.219 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 9.499 -2.921 -9.841 1.00 3.64 O HETATM 2 C5' ADN B 1 9.848 -1.579 -9.487 1.00 3.04 C HETATM 3 C4' ADN B 1 10.433 -0.831 -10.662 1.00 2.61 C HETATM 4 O4' ADN B 1 9.959 -1.448 -11.890 1.00 3.25 O HETATM 5 C3' ADN B 1 10.037 0.638 -10.767 1.00 2.05 C HETATM 6 O3' ADN B 1 11.090 1.414 -11.329 1.00 2.33 O HETATM 7 C2' ADN B 1 8.819 0.610 -11.682 1.00 2.68 C HETATM 8 O2' ADN B 1 8.682 1.810 -12.411 1.00 3.28 O HETATM 9 C1' ADN B 1 9.203 -0.516 -12.639 1.00 3.33 C HETATM 10 N9 ADN B 1 8.057 -1.209 -13.224 1.00 4.21 N HETATM 11 C8 ADN B 1 7.593 -2.462 -12.916 1.00 4.58 C HETATM 12 N7 ADN B 1 6.543 -2.826 -13.610 1.00 5.53 N HETATM 13 C5 ADN B 1 6.296 -1.737 -14.433 1.00 5.90 C HETATM 14 C6 ADN B 1 5.316 -1.496 -15.410 1.00 7.05 C HETATM 15 N6 ADN B 1 4.367 -2.373 -15.737 1.00 7.92 N HETATM 16 N1 ADN B 1 5.347 -0.306 -16.050 1.00 7.44 N HETATM 17 C2 ADN B 1 6.305 0.572 -15.724 1.00 6.72 C HETATM 18 N3 ADN B 1 7.281 0.460 -14.824 1.00 5.56 N HETATM 19 C4 ADN B 1 7.221 -0.732 -14.207 1.00 5.16 C HETATM 0 HO5' ADN B 1 9.441 -2.998 -10.816 1.00 3.64 H new HETATM 0 HO2' ADN B 1 7.731 2.014 -12.530 1.00 3.28 H new HETATM 0 HN62 ADN B 1 3.682 -2.139 -16.456 1.00 7.92 H new HETATM 0 HN61 ADN B 1 4.325 -3.278 -15.268 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 8.963 -1.055 -9.125 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 10.568 -1.593 -8.668 1.00 3.04 H new HETATM 0 H8 ADN B 1 8.056 -3.098 -12.162 1.00 4.58 H new HETATM 0 H4' ADN B 1 11.511 -0.879 -10.511 1.00 2.61 H new HETATM 0 H3' ADN B 1 9.828 1.094 -9.799 1.00 2.05 H new HETATM 0 H2' ADN B 1 7.878 0.480 -11.147 1.00 2.68 H new HETATM 0 H2 ADN B 1 6.283 1.513 -16.274 1.00 6.72 H new HETATM 0 H1' ADN B 1 9.755 -0.080 -13.472 1.00 3.33 H new ATOM 32 P U B 2 11.488 2.827 -10.673 1.00 2.37 P ATOM 33 OP1 U B 2 12.484 3.482 -11.560 1.00 2.99 O ATOM 34 OP2 U B 2 11.820 2.574 -9.249 1.00 2.93 O ATOM 35 O5' U B 2 10.139 3.676 -10.721 1.00 2.04 O ATOM 36 C5' U B 2 10.133 5.017 -11.206 1.00 1.73 C ATOM 37 C4' U B 2 9.070 5.831 -10.503 1.00 1.24 C ATOM 38 O4' U B 2 7.776 5.517 -11.088 1.00 1.07 O ATOM 39 C3' U B 2 8.916 5.559 -9.009 1.00 0.95 C ATOM 40 O3' U B 2 8.567 6.746 -8.303 1.00 0.97 O ATOM 41 C2' U B 2 7.788 4.535 -8.957 1.00 0.83 C ATOM 42 O2' U B 2 7.088 4.585 -7.731 1.00 1.12 O ATOM 43 C1' U B 2 6.898 5.064 -10.077 1.00 0.74 C ATOM 44 N1 U B 2 5.993 4.058 -10.649 1.00 0.76 N ATOM 45 C2 U B 2 4.633 4.243 -10.479 1.00 1.11 C ATOM 46 O2 U B 2 4.161 5.190 -9.873 1.00 1.49 O ATOM 47 N3 U B 2 3.842 3.272 -11.035 1.00 1.23 N ATOM 48 C4 U B 2 4.260 2.157 -11.730 1.00 1.12 C ATOM 49 O4 U B 2 3.421 1.370 -12.172 1.00 1.35 O ATOM 50 C5 U B 2 5.677 2.039 -11.862 1.00 1.05 C ATOM 51 C6 U B 2 6.479 2.968 -11.332 1.00 0.89 C ATOM 0 H5' U B 2 9.950 5.020 -12.281 1.00 1.73 H new ATOM 0 H5'' U B 2 11.111 5.471 -11.048 1.00 1.73 H new ATOM 0 H4' U B 2 9.389 6.866 -10.627 1.00 1.24 H new ATOM 0 H3' U B 2 9.835 5.206 -8.542 1.00 0.95 H new ATOM 0 H2' U B 2 8.120 3.502 -9.055 1.00 0.83 H new ATOM 0 HO2' U B 2 7.727 4.565 -6.988 1.00 1.12 H new ATOM 0 H1' U B 2 6.253 5.843 -9.671 1.00 0.74 H new ATOM 0 H3 U B 2 2.835 3.387 -10.923 1.00 1.23 H new ATOM 0 H5 U B 2 6.101 1.198 -12.391 1.00 1.05 H new ATOM 0 H6 U B 2 7.548 2.858 -11.444 1.00 0.89 H new ATOM 62 P C B 3 9.711 7.676 -7.666 1.00 1.05 P ATOM 63 OP1 C B 3 9.494 9.059 -8.161 1.00 1.58 O ATOM 64 OP2 C B 3 11.026 7.018 -7.869 1.00 1.17 O ATOM 65 O5' C B 3 9.397 7.656 -6.104 1.00 1.07 O ATOM 66 C5' C B 3 8.215 8.257 -5.582 1.00 0.98 C ATOM 67 C4' C B 3 7.842 7.603 -4.273 1.00 0.86 C ATOM 68 O4' C B 3 7.697 6.172 -4.493 1.00 0.90 O ATOM 69 C3' C B 3 8.876 7.742 -3.161 1.00 0.69 C ATOM 70 O3' C B 3 8.250 7.818 -1.885 1.00 0.87 O ATOM 71 C2' C B 3 9.709 6.473 -3.299 1.00 0.63 C ATOM 72 O2' C B 3 10.279 6.076 -2.070 1.00 0.82 O ATOM 73 C1' C B 3 8.632 5.469 -3.699 1.00 0.75 C ATOM 74 N1 C B 3 9.151 4.324 -4.465 1.00 0.69 N ATOM 75 C2 C B 3 9.145 3.058 -3.873 1.00 0.96 C ATOM 76 O2 C B 3 8.676 2.930 -2.732 1.00 1.32 O ATOM 77 N3 C B 3 9.645 2.004 -4.560 1.00 0.95 N ATOM 78 C4 C B 3 10.138 2.182 -5.789 1.00 0.70 C ATOM 79 N4 C B 3 10.628 1.116 -6.426 1.00 0.76 N ATOM 80 C5 C B 3 10.154 3.462 -6.416 1.00 0.69 C ATOM 81 C6 C B 3 9.656 4.494 -5.724 1.00 0.67 C ATOM 0 H5' C B 3 7.398 8.154 -6.296 1.00 0.98 H new ATOM 0 H5'' C B 3 8.375 9.325 -5.433 1.00 0.98 H new ATOM 0 H4' C B 3 6.931 8.110 -3.954 1.00 0.86 H new ATOM 0 H3' C B 3 9.473 8.651 -3.241 1.00 0.69 H new ATOM 0 H2' C B 3 10.546 6.578 -3.989 1.00 0.63 H new ATOM 0 HO2' C B 3 9.815 6.526 -1.334 1.00 0.82 H new ATOM 0 H1' C B 3 8.193 5.052 -2.793 1.00 0.75 H new ATOM 0 H41 C B 3 11.012 1.215 -7.366 1.00 0.76 H new ATOM 0 H42 C B 3 10.618 0.202 -5.973 1.00 0.76 H new ATOM 0 H5 C B 3 10.553 3.594 -7.411 1.00 0.69 H new ATOM 0 H6 C B 3 9.653 5.478 -6.168 1.00 0.67 H new ATOM 93 P U B 4 8.588 9.019 -0.868 1.00 0.75 P ATOM 94 OP1 U B 4 9.397 10.025 -1.605 1.00 1.02 O ATOM 95 OP2 U B 4 9.118 8.429 0.386 1.00 1.15 O ATOM 96 O5' U B 4 7.165 9.662 -0.549 1.00 0.71 O ATOM 97 C5' U B 4 7.034 11.050 -0.252 1.00 0.76 C ATOM 98 C4' U B 4 5.904 11.272 0.727 1.00 0.65 C ATOM 99 O4' U B 4 5.812 10.123 1.617 1.00 0.61 O ATOM 100 C3' U B 4 6.072 12.479 1.645 1.00 0.67 C ATOM 101 O3' U B 4 4.815 13.079 1.937 1.00 0.79 O ATOM 102 C2' U B 4 6.698 11.874 2.894 1.00 0.63 C ATOM 103 O2' U B 4 6.429 12.646 4.049 1.00 0.77 O ATOM 104 C1' U B 4 5.920 10.564 2.955 1.00 0.58 C ATOM 105 N1 U B 4 6.562 9.519 3.764 1.00 0.58 N ATOM 106 C2 U B 4 6.406 9.586 5.137 1.00 0.66 C ATOM 107 O2 U B 4 5.771 10.467 5.691 1.00 0.71 O ATOM 108 N3 U B 4 7.020 8.581 5.840 1.00 0.75 N ATOM 109 C4 U B 4 7.754 7.536 5.324 1.00 0.79 C ATOM 110 O4 U B 4 8.232 6.700 6.090 1.00 0.93 O ATOM 111 C5 U B 4 7.870 7.538 3.898 1.00 0.72 C ATOM 112 C6 U B 4 7.287 8.503 3.181 1.00 0.62 C ATOM 0 H5' U B 4 6.845 11.609 -1.169 1.00 0.76 H new ATOM 0 H5'' U B 4 7.966 11.429 0.166 1.00 0.76 H new ATOM 0 H4' U B 4 5.025 11.432 0.102 1.00 0.65 H new ATOM 0 H3' U B 4 6.675 13.274 1.206 1.00 0.67 H new ATOM 0 H2' U B 4 7.784 11.792 2.859 1.00 0.63 H new ATOM 0 HO2' U B 4 6.196 12.052 4.793 1.00 0.77 H new ATOM 0 H1' U B 4 4.959 10.745 3.437 1.00 0.58 H new ATOM 0 H3 U B 4 6.922 8.611 6.855 1.00 0.75 H new ATOM 0 H5 U B 4 8.429 6.759 3.401 1.00 0.72 H new ATOM 0 H6 U B 4 7.388 8.486 2.106 1.00 0.62 H new ATOM 123 P U B 5 4.351 14.403 1.155 1.00 0.85 P ATOM 124 OP1 U B 5 4.946 14.355 -0.205 1.00 1.03 O ATOM 125 OP2 U B 5 4.613 15.573 2.032 1.00 1.33 O ATOM 126 O5' U B 5 2.774 14.231 1.017 1.00 0.85 O ATOM 127 C5' U B 5 2.200 13.615 -0.133 1.00 0.75 C ATOM 128 C4' U B 5 0.884 12.968 0.229 1.00 0.55 C ATOM 129 O4' U B 5 1.125 11.943 1.232 1.00 0.43 O ATOM 130 C3' U B 5 -0.157 13.901 0.839 1.00 0.55 C ATOM 131 O3' U B 5 -1.469 13.552 0.411 1.00 0.57 O ATOM 132 C2' U B 5 0.010 13.688 2.339 1.00 0.48 C ATOM 133 O2' U B 5 -1.190 13.932 3.046 1.00 0.53 O ATOM 134 C1' U B 5 0.317 12.194 2.362 1.00 0.37 C ATOM 135 N1 U B 5 1.033 11.745 3.564 1.00 0.37 N ATOM 136 C2 U B 5 0.333 10.983 4.485 1.00 0.37 C ATOM 137 O2 U B 5 -0.841 10.683 4.345 1.00 0.40 O ATOM 138 N3 U B 5 1.060 10.586 5.579 1.00 0.43 N ATOM 139 C4 U B 5 2.382 10.869 5.844 1.00 0.48 C ATOM 140 O4 U B 5 2.895 10.445 6.878 1.00 0.56 O ATOM 141 C5 U B 5 3.032 11.662 4.847 1.00 0.49 C ATOM 142 C6 U B 5 2.357 12.065 3.766 1.00 0.44 C ATOM 0 H5' U B 5 2.884 12.867 -0.534 1.00 0.75 H new ATOM 0 H5'' U B 5 2.046 14.358 -0.915 1.00 0.75 H new ATOM 0 H4' U B 5 0.490 12.595 -0.716 1.00 0.55 H new ATOM 0 H3' U B 5 -0.022 14.941 0.543 1.00 0.55 H new ATOM 0 H2' U B 5 0.752 14.342 2.798 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.954 13.643 2.504 1.00 0.53 H new ATOM 0 H1' U B 5 -0.627 11.649 2.359 1.00 0.37 H new ATOM 0 H3 U B 5 0.568 10.020 6.271 1.00 0.43 H new ATOM 0 H5 U B 5 4.070 11.936 4.968 1.00 0.49 H new ATOM 0 H6 U B 5 2.868 12.662 3.025 1.00 0.44 H new ATOM 153 P A B 6 -2.506 14.704 -0.008 1.00 0.96 P ATOM 154 OP1 A B 6 -2.241 15.898 0.832 1.00 1.91 O ATOM 155 OP2 A B 6 -3.864 14.101 -0.013 1.00 1.79 O ATOM 156 O5' A B 6 -2.107 15.034 -1.515 1.00 1.70 O ATOM 157 C5' A B 6 -3.049 15.609 -2.419 1.00 2.27 C ATOM 158 C4' A B 6 -3.298 17.055 -2.062 1.00 2.74 C ATOM 159 O4' A B 6 -2.197 17.530 -1.241 1.00 2.62 O ATOM 160 C3' A B 6 -3.372 18.017 -3.242 1.00 3.36 C ATOM 161 O3' A B 6 -4.297 19.078 -2.999 1.00 4.05 O ATOM 162 C2' A B 6 -1.945 18.538 -3.364 1.00 3.45 C ATOM 163 O2' A B 6 -1.908 19.849 -3.890 1.00 4.23 O ATOM 164 C1' A B 6 -1.516 18.578 -1.898 1.00 3.13 C ATOM 165 N9 A B 6 -0.078 18.396 -1.698 1.00 3.07 N ATOM 166 C8 A B 6 0.928 18.600 -2.611 1.00 3.68 C ATOM 167 N7 A B 6 2.127 18.357 -2.140 1.00 3.79 N ATOM 168 C5 A B 6 1.896 17.965 -0.828 1.00 3.15 C ATOM 169 C6 A B 6 2.764 17.573 0.205 1.00 3.12 C ATOM 170 N6 A B 6 4.090 17.510 0.076 1.00 3.76 N ATOM 171 N1 A B 6 2.215 17.246 1.395 1.00 2.64 N ATOM 172 C2 A B 6 0.884 17.311 1.525 1.00 2.25 C ATOM 173 N3 A B 6 -0.035 17.666 0.628 1.00 2.28 N ATOM 174 C4 A B 6 0.543 17.985 -0.543 1.00 2.69 C ATOM 0 H5' A B 6 -3.985 15.052 -2.384 1.00 2.27 H new ATOM 0 H5'' A B 6 -2.674 15.538 -3.440 1.00 2.27 H new ATOM 0 H4' A B 6 -4.269 17.055 -1.567 1.00 2.74 H new ATOM 0 H3' A B 6 -3.728 17.538 -4.154 1.00 3.36 H new ATOM 0 H2' A B 6 -1.323 17.933 -4.024 1.00 3.45 H new ATOM 0 HO2' A B 6 -0.978 20.150 -3.952 1.00 4.23 H new ATOM 0 HO3' A B 6 -3.928 19.919 -3.342 1.00 4.05 H new ATOM 0 H1' A B 6 -1.759 19.564 -1.503 1.00 3.13 H new ATOM 0 H8 A B 6 0.748 18.930 -3.623 1.00 3.68 H new ATOM 0 H61 A B 6 4.666 17.217 0.865 1.00 3.76 H new ATOM 0 H62 A B 6 4.528 17.755 -0.812 1.00 3.76 H new ATOM 0 H2 A B 6 0.500 17.036 2.496 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 11.899 -11.627 7.274 1.00 8.88 N ATOM 189 CA GLY A 510 13.096 -10.798 7.539 1.00 8.14 C ATOM 190 C GLY A 510 14.380 -11.562 7.303 1.00 7.17 C ATOM 191 O GLY A 510 14.349 -12.768 7.050 1.00 7.17 O ATOM 0 HA2 GLY A 510 13.076 -9.917 6.898 1.00 8.14 H new ATOM 0 HA3 GLY A 510 13.070 -10.443 8.569 1.00 8.14 H new ATOM 197 N ALA A 511 15.505 -10.853 7.385 1.00 6.63 N ATOM 198 CA ALA A 511 16.830 -11.445 7.215 1.00 5.95 C ATOM 199 C ALA A 511 16.979 -12.108 5.847 1.00 5.06 C ATOM 200 O ALA A 511 17.563 -13.187 5.725 1.00 5.04 O ATOM 201 CB ALA A 511 17.124 -12.436 8.335 1.00 6.64 C ATOM 0 H ALA A 511 15.523 -9.850 7.572 1.00 6.63 H new ATOM 0 HA ALA A 511 17.562 -10.639 7.268 1.00 5.95 H new ATOM 0 HB1 ALA A 511 18.115 -12.866 8.190 1.00 6.64 H new ATOM 0 HB2 ALA A 511 17.089 -11.921 9.295 1.00 6.64 H new ATOM 0 HB3 ALA A 511 16.379 -13.231 8.322 1.00 6.64 H new ATOM 207 N MET A 512 16.450 -11.456 4.823 1.00 4.71 N ATOM 208 CA MET A 512 16.554 -11.963 3.464 1.00 4.26 C ATOM 209 C MET A 512 16.999 -10.852 2.524 1.00 3.49 C ATOM 210 O MET A 512 18.072 -10.930 1.922 1.00 3.57 O ATOM 211 CB MET A 512 15.217 -12.546 2.996 1.00 4.93 C ATOM 212 CG MET A 512 15.258 -13.111 1.585 1.00 5.06 C ATOM 213 SD MET A 512 13.665 -13.765 1.049 1.00 5.85 S ATOM 214 CE MET A 512 14.072 -14.302 -0.610 1.00 6.33 C ATOM 0 H MET A 512 15.944 -10.574 4.908 1.00 4.71 H new ATOM 0 HA MET A 512 17.298 -12.760 3.451 1.00 4.26 H new ATOM 0 HB2 MET A 512 14.913 -13.334 3.685 1.00 4.93 H new ATOM 0 HB3 MET A 512 14.455 -11.769 3.045 1.00 4.93 H new ATOM 0 HG2 MET A 512 15.576 -12.330 0.895 1.00 5.06 H new ATOM 0 HG3 MET A 512 16.006 -13.903 1.537 1.00 5.06 H new ATOM 0 HE1 MET A 512 13.188 -14.733 -1.080 1.00 6.33 H new ATOM 0 HE2 MET A 512 14.415 -13.448 -1.195 1.00 6.33 H new ATOM 0 HE3 MET A 512 14.861 -15.052 -0.566 1.00 6.33 H new ATOM 224 N ALA A 513 16.183 -9.811 2.418 1.00 3.37 N ATOM 225 CA ALA A 513 16.484 -8.691 1.542 1.00 3.26 C ATOM 226 C ALA A 513 15.740 -7.441 1.982 1.00 2.63 C ATOM 227 O ALA A 513 14.639 -7.528 2.531 1.00 3.17 O ATOM 228 CB ALA A 513 16.122 -9.030 0.105 1.00 4.20 C ATOM 0 H ALA A 513 15.306 -9.721 2.930 1.00 3.37 H new ATOM 0 HA ALA A 513 17.555 -8.495 1.603 1.00 3.26 H new ATOM 0 HB1 ALA A 513 16.353 -8.181 -0.538 1.00 4.20 H new ATOM 0 HB2 ALA A 513 16.695 -9.898 -0.220 1.00 4.20 H new ATOM 0 HB3 ALA A 513 15.057 -9.254 0.041 1.00 4.20 H new ATOM 234 N GLN A 514 16.370 -6.285 1.766 1.00 1.97 N ATOM 235 CA GLN A 514 15.742 -4.979 1.989 1.00 1.53 C ATOM 236 C GLN A 514 15.445 -4.725 3.466 1.00 1.41 C ATOM 237 O GLN A 514 14.818 -3.723 3.811 1.00 1.94 O ATOM 238 CB GLN A 514 14.449 -4.868 1.185 1.00 1.48 C ATOM 239 CG GLN A 514 14.632 -5.040 -0.313 1.00 1.76 C ATOM 240 CD GLN A 514 13.324 -4.921 -1.069 1.00 2.06 C ATOM 241 OE1 GLN A 514 12.252 -5.215 -0.537 1.00 2.88 O ATOM 242 NE2 GLN A 514 13.401 -4.495 -2.316 1.00 2.17 N ATOM 0 H GLN A 514 17.332 -6.227 1.431 1.00 1.97 H new ATOM 0 HA GLN A 514 16.453 -4.223 1.655 1.00 1.53 H new ATOM 0 HB2 GLN A 514 13.746 -5.620 1.543 1.00 1.48 H new ATOM 0 HB3 GLN A 514 13.998 -3.894 1.375 1.00 1.48 H new ATOM 0 HG2 GLN A 514 15.331 -4.289 -0.680 1.00 1.76 H new ATOM 0 HG3 GLN A 514 15.077 -6.015 -0.513 1.00 1.76 H new ATOM 0 HE21 GLN A 514 14.308 -4.262 -2.720 1.00 2.17 H new ATOM 0 HE22 GLN A 514 12.554 -4.399 -2.875 1.00 2.17 H new ATOM 251 N ARG A 515 15.891 -5.643 4.320 1.00 1.22 N ATOM 252 CA ARG A 515 15.700 -5.544 5.769 1.00 1.19 C ATOM 253 C ARG A 515 14.219 -5.546 6.128 1.00 1.13 C ATOM 254 O ARG A 515 13.810 -4.935 7.116 1.00 1.84 O ATOM 255 CB ARG A 515 16.368 -4.283 6.323 1.00 1.39 C ATOM 256 CG ARG A 515 17.866 -4.238 6.095 1.00 1.59 C ATOM 257 CD ARG A 515 18.472 -2.963 6.652 1.00 1.75 C ATOM 258 NE ARG A 515 19.909 -2.891 6.407 1.00 2.36 N ATOM 259 CZ ARG A 515 20.711 -1.968 6.938 1.00 3.12 C ATOM 260 NH1 ARG A 515 20.214 -1.036 7.747 1.00 3.44 N ATOM 261 NH2 ARG A 515 22.008 -1.973 6.655 1.00 4.00 N ATOM 0 H ARG A 515 16.397 -6.479 4.028 1.00 1.22 H new ATOM 0 HA ARG A 515 16.169 -6.417 6.222 1.00 1.19 H new ATOM 0 HB2 ARG A 515 15.912 -3.408 5.860 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.170 -4.217 7.393 1.00 1.39 H new ATOM 0 HG2 ARG A 515 18.334 -5.102 6.567 1.00 1.59 H new ATOM 0 HG3 ARG A 515 18.075 -4.306 5.027 1.00 1.59 H new ATOM 0 HD2 ARG A 515 17.983 -2.101 6.199 1.00 1.75 H new ATOM 0 HD3 ARG A 515 18.283 -2.910 7.724 1.00 1.75 H new ATOM 0 HE ARG A 515 20.325 -3.590 5.792 1.00 2.36 H new ATOM 0 HH11 ARG A 515 19.217 -1.027 7.962 1.00 3.44 H new ATOM 0 HH12 ARG A 515 20.830 -0.331 8.152 1.00 3.44 H new ATOM 0 HH21 ARG A 515 22.391 -2.683 6.031 1.00 4.00 H new ATOM 0 HH22 ARG A 515 22.621 -1.267 7.061 1.00 4.00 H new ATOM 275 N LYS A 516 13.420 -6.251 5.332 1.00 0.82 N ATOM 276 CA LYS A 516 11.978 -6.281 5.532 1.00 0.79 C ATOM 277 C LYS A 516 11.595 -7.262 6.632 1.00 0.90 C ATOM 278 O LYS A 516 10.976 -8.300 6.384 1.00 1.11 O ATOM 279 CB LYS A 516 11.260 -6.626 4.224 1.00 0.97 C ATOM 280 CG LYS A 516 11.502 -5.607 3.121 1.00 1.06 C ATOM 281 CD LYS A 516 10.916 -4.248 3.472 1.00 1.07 C ATOM 282 CE LYS A 516 11.363 -3.173 2.490 1.00 1.24 C ATOM 283 NZ LYS A 516 10.976 -3.487 1.091 1.00 1.89 N ATOM 0 H LYS A 516 13.748 -6.808 4.543 1.00 0.82 H new ATOM 0 HA LYS A 516 11.662 -5.287 5.847 1.00 0.79 H new ATOM 0 HB2 LYS A 516 11.591 -7.607 3.883 1.00 0.97 H new ATOM 0 HB3 LYS A 516 10.189 -6.700 4.413 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.573 -5.507 2.946 1.00 1.06 H new ATOM 0 HG3 LYS A 516 11.060 -5.965 2.191 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.828 -4.310 3.474 1.00 1.07 H new ATOM 0 HD3 LYS A 516 11.221 -3.969 4.481 1.00 1.07 H new ATOM 0 HE2 LYS A 516 10.926 -2.217 2.779 1.00 1.24 H new ATOM 0 HE3 LYS A 516 12.446 -3.060 2.548 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 11.180 -2.669 0.482 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 11.517 -4.310 0.757 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 9.959 -3.702 1.052 1.00 1.89 H new ATOM 297 N GLY A 517 11.987 -6.923 7.846 1.00 0.96 N ATOM 298 CA GLY A 517 11.607 -7.693 9.006 1.00 1.13 C ATOM 299 C GLY A 517 11.127 -6.784 10.109 1.00 1.25 C ATOM 300 O GLY A 517 9.923 -6.589 10.281 1.00 2.04 O ATOM 0 H GLY A 517 12.572 -6.113 8.051 1.00 0.96 H new ATOM 0 HA2 GLY A 517 10.820 -8.398 8.740 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.457 -8.280 9.354 1.00 1.13 H new ATOM 304 N ALA A 518 12.070 -6.204 10.836 1.00 1.01 N ATOM 305 CA ALA A 518 11.758 -5.178 11.818 1.00 1.14 C ATOM 306 C ALA A 518 11.744 -3.817 11.132 1.00 1.08 C ATOM 307 O ALA A 518 12.579 -2.954 11.403 1.00 1.75 O ATOM 308 CB ALA A 518 12.765 -5.201 12.956 1.00 1.41 C ATOM 0 H ALA A 518 13.062 -6.428 10.763 1.00 1.01 H new ATOM 0 HA ALA A 518 10.774 -5.373 12.245 1.00 1.14 H new ATOM 0 HB1 ALA A 518 12.514 -4.426 13.680 1.00 1.41 H new ATOM 0 HB2 ALA A 518 12.740 -6.175 13.444 1.00 1.41 H new ATOM 0 HB3 ALA A 518 13.764 -5.018 12.561 1.00 1.41 H new ATOM 314 N GLY A 519 10.794 -3.654 10.227 1.00 0.67 N ATOM 315 CA GLY A 519 10.719 -2.464 9.410 1.00 0.60 C ATOM 316 C GLY A 519 10.383 -2.814 7.980 1.00 0.50 C ATOM 317 O GLY A 519 11.185 -3.442 7.290 1.00 0.51 O ATOM 0 H GLY A 519 10.061 -4.339 10.042 1.00 0.67 H new ATOM 0 HA2 GLY A 519 9.963 -1.789 9.811 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.670 -1.933 9.445 1.00 0.60 H new ATOM 321 N ARG A 520 9.197 -2.440 7.529 1.00 0.46 N ATOM 322 CA ARG A 520 8.802 -2.747 6.166 1.00 0.40 C ATOM 323 C ARG A 520 8.200 -1.534 5.475 1.00 0.34 C ATOM 324 O ARG A 520 7.398 -0.805 6.050 1.00 0.36 O ATOM 325 CB ARG A 520 7.774 -3.876 6.164 1.00 0.44 C ATOM 326 CG ARG A 520 8.253 -5.147 6.842 1.00 0.56 C ATOM 327 CD ARG A 520 7.079 -5.988 7.306 1.00 0.64 C ATOM 328 NE ARG A 520 6.213 -5.239 8.215 1.00 0.93 N ATOM 329 CZ ARG A 520 6.147 -5.447 9.530 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.905 -6.377 10.106 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.342 -4.707 10.274 1.00 2.22 N ATOM 0 H ARG A 520 8.502 -1.932 8.076 1.00 0.46 H new ATOM 0 HA ARG A 520 9.697 -3.050 5.624 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.868 -3.530 6.662 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.503 -4.106 5.133 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.868 -5.723 6.151 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.884 -4.894 7.694 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.503 -6.319 6.442 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.446 -6.884 7.807 1.00 0.64 H new ATOM 0 HE ARG A 520 5.621 -4.510 7.817 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.543 -6.937 9.541 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.848 -6.530 11.113 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.773 -3.979 9.841 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.290 -4.864 11.280 1.00 2.22 H new ATOM 345 N VAL A 521 8.627 -1.317 4.245 1.00 0.29 N ATOM 346 CA VAL A 521 7.945 -0.406 3.348 1.00 0.24 C ATOM 347 C VAL A 521 7.421 -1.163 2.141 1.00 0.21 C ATOM 348 O VAL A 521 8.188 -1.809 1.412 1.00 0.23 O ATOM 349 CB VAL A 521 8.826 0.767 2.885 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.069 1.652 1.914 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.302 1.572 4.073 1.00 0.32 C ATOM 0 H VAL A 521 9.451 -1.764 3.843 1.00 0.29 H new ATOM 0 HA VAL A 521 7.119 0.026 3.913 1.00 0.24 H new ATOM 0 HB VAL A 521 9.697 0.360 2.371 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.709 2.476 1.598 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.774 1.067 1.043 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.179 2.050 2.402 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.924 2.398 3.727 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.442 1.967 4.613 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.884 0.932 4.736 1.00 0.32 H new ATOM 361 N VAL A 522 6.124 -1.094 1.935 1.00 0.20 N ATOM 362 CA VAL A 522 5.500 -1.703 0.779 1.00 0.18 C ATOM 363 C VAL A 522 4.810 -0.605 -0.010 1.00 0.18 C ATOM 364 O VAL A 522 3.961 0.105 0.525 1.00 0.19 O ATOM 365 CB VAL A 522 4.489 -2.784 1.208 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.944 -3.546 0.010 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.131 -3.735 2.206 1.00 0.22 C ATOM 0 H VAL A 522 5.474 -0.617 2.560 1.00 0.20 H new ATOM 0 HA VAL A 522 6.253 -2.193 0.162 1.00 0.18 H new ATOM 0 HB VAL A 522 3.646 -2.287 1.688 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.234 -4.300 0.351 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.441 -2.853 -0.664 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.765 -4.032 -0.516 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.407 -4.495 2.502 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.995 -4.216 1.747 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.452 -3.177 3.086 1.00 0.22 H new ATOM 377 N HIS A 523 5.190 -0.431 -1.264 1.00 0.18 N ATOM 378 CA HIS A 523 4.736 0.706 -2.040 1.00 0.18 C ATOM 379 C HIS A 523 3.694 0.284 -3.060 1.00 0.17 C ATOM 380 O HIS A 523 3.876 -0.686 -3.796 1.00 0.18 O ATOM 381 CB HIS A 523 5.942 1.346 -2.743 1.00 0.20 C ATOM 382 CG HIS A 523 5.608 2.458 -3.699 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.502 2.267 -5.059 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.411 3.782 -3.492 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.262 3.424 -5.645 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.201 4.362 -4.720 1.00 0.37 N ATOM 0 H HIS A 523 5.813 -1.064 -1.766 1.00 0.18 H new ATOM 0 HA HIS A 523 4.273 1.432 -1.372 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.622 1.733 -1.984 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.480 0.569 -3.287 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.418 4.288 -2.538 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.136 3.578 -6.707 1.00 0.44 H new ATOM 0 HE2 HIS A 523 5.027 5.353 -4.888 1.00 0.37 H new ATOM 395 N ILE A 524 2.614 1.032 -3.098 1.00 0.16 N ATOM 396 CA ILE A 524 1.543 0.805 -4.039 1.00 0.16 C ATOM 397 C ILE A 524 1.482 1.990 -4.988 1.00 0.17 C ATOM 398 O ILE A 524 1.716 3.123 -4.578 1.00 0.19 O ATOM 399 CB ILE A 524 0.197 0.636 -3.303 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.345 -0.420 -2.203 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.911 0.258 -4.281 1.00 0.18 C ATOM 402 CD1 ILE A 524 -0.922 -0.696 -1.426 1.00 0.18 C ATOM 0 H ILE A 524 2.454 1.821 -2.471 1.00 0.16 H new ATOM 0 HA ILE A 524 1.732 -0.112 -4.597 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.081 1.585 -2.844 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.690 -1.350 -2.654 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.120 -0.096 -1.508 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.850 0.144 -3.740 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.017 1.042 -5.031 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.658 -0.682 -4.771 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.726 -1.455 -0.669 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.259 0.221 -0.942 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.695 -1.053 -2.106 1.00 0.18 H new ATOM 414 N CYS A 525 1.214 1.745 -6.251 1.00 0.17 N ATOM 415 CA CYS A 525 1.181 2.825 -7.217 1.00 0.18 C ATOM 416 C CYS A 525 0.078 2.627 -8.237 1.00 0.15 C ATOM 417 O CYS A 525 -0.525 1.553 -8.306 1.00 0.16 O ATOM 418 CB CYS A 525 2.538 2.958 -7.910 1.00 0.29 C ATOM 419 SG CYS A 525 3.233 1.395 -8.491 1.00 1.17 S ATOM 0 H CYS A 525 1.018 0.820 -6.632 1.00 0.17 H new ATOM 0 HA CYS A 525 0.968 3.749 -6.679 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.435 3.634 -8.759 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.242 3.420 -7.218 1.00 0.29 H new ATOM 0 HG CYS A 525 3.700 1.548 -9.695 1.00 1.17 H new ATOM 425 N ASN A 526 -0.178 3.696 -8.992 1.00 0.15 N ATOM 426 CA ASN A 526 -1.156 3.715 -10.086 1.00 0.16 C ATOM 427 C ASN A 526 -2.536 4.031 -9.548 1.00 0.15 C ATOM 428 O ASN A 526 -3.550 3.639 -10.120 1.00 0.18 O ATOM 429 CB ASN A 526 -1.171 2.407 -10.894 1.00 0.19 C ATOM 430 CG ASN A 526 0.142 2.140 -11.603 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.865 3.066 -11.971 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.460 0.870 -11.797 1.00 0.26 N ATOM 0 H ASN A 526 0.296 4.590 -8.860 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.850 4.501 -10.776 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.394 1.575 -10.226 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.974 2.449 -11.630 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.332 0.629 -12.267 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.167 0.132 -11.476 1.00 0.26 H new ATOM 439 N LEU A 527 -2.557 4.775 -8.454 1.00 0.15 N ATOM 440 CA LEU A 527 -3.802 5.225 -7.862 1.00 0.17 C ATOM 441 C LEU A 527 -4.170 6.563 -8.477 1.00 0.22 C ATOM 442 O LEU A 527 -3.389 7.506 -8.407 1.00 0.25 O ATOM 443 CB LEU A 527 -3.637 5.381 -6.345 1.00 0.15 C ATOM 444 CG LEU A 527 -3.490 4.083 -5.550 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.064 4.380 -4.121 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.805 3.321 -5.546 1.00 0.21 C ATOM 0 H LEU A 527 -1.720 5.080 -7.957 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.588 4.494 -8.053 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.760 6.000 -6.157 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.500 5.924 -5.960 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.723 3.472 -6.026 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.964 3.445 -3.569 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.107 4.902 -4.128 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.815 5.007 -3.640 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.689 2.398 -4.977 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.580 3.935 -5.087 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.090 3.082 -6.571 1.00 0.21 H new ATOM 458 N PRO A 528 -5.351 6.685 -9.089 1.00 0.26 N ATOM 459 CA PRO A 528 -5.761 7.944 -9.695 1.00 0.33 C ATOM 460 C PRO A 528 -6.069 8.992 -8.637 1.00 0.34 C ATOM 461 O PRO A 528 -6.769 8.711 -7.659 1.00 0.32 O ATOM 462 CB PRO A 528 -7.036 7.584 -10.474 1.00 0.38 C ATOM 463 CG PRO A 528 -7.107 6.091 -10.476 1.00 0.37 C ATOM 464 CD PRO A 528 -6.353 5.629 -9.264 1.00 0.29 C ATOM 0 HA PRO A 528 -4.980 8.370 -10.325 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.918 8.016 -10.001 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.996 7.975 -11.491 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.142 5.751 -10.442 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.667 5.683 -11.386 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.002 5.538 -8.393 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.891 4.654 -9.421 1.00 0.29 H new ATOM 472 N GLU A 529 -5.552 10.196 -8.834 1.00 0.41 N ATOM 473 CA GLU A 529 -5.825 11.296 -7.924 1.00 0.46 C ATOM 474 C GLU A 529 -7.299 11.652 -7.996 1.00 0.47 C ATOM 475 O GLU A 529 -7.849 11.837 -9.083 1.00 0.53 O ATOM 476 CB GLU A 529 -4.957 12.505 -8.262 1.00 0.57 C ATOM 477 CG GLU A 529 -5.184 13.695 -7.343 1.00 0.66 C ATOM 478 CD GLU A 529 -4.447 14.935 -7.800 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.970 15.664 -8.666 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.336 15.188 -7.291 1.00 1.41 O ATOM 0 H GLU A 529 -4.942 10.435 -9.616 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.581 10.989 -6.907 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.908 12.213 -8.212 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.155 12.808 -9.290 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.251 13.910 -7.291 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.861 13.437 -6.334 1.00 0.66 H new ATOM 487 N GLY A 530 -7.944 11.736 -6.848 1.00 0.46 N ATOM 488 CA GLY A 530 -9.375 11.908 -6.830 1.00 0.48 C ATOM 489 C GLY A 530 -10.071 10.581 -6.639 1.00 0.43 C ATOM 490 O GLY A 530 -11.299 10.502 -6.649 1.00 0.46 O ATOM 0 H GLY A 530 -7.503 11.688 -5.930 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.654 12.589 -6.026 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.703 12.365 -7.764 1.00 0.48 H new ATOM 494 N SER A 531 -9.269 9.539 -6.463 1.00 0.37 N ATOM 495 CA SER A 531 -9.773 8.192 -6.272 1.00 0.35 C ATOM 496 C SER A 531 -8.851 7.425 -5.329 1.00 0.28 C ATOM 497 O SER A 531 -9.006 6.220 -5.125 1.00 0.30 O ATOM 498 CB SER A 531 -9.861 7.463 -7.611 1.00 0.40 C ATOM 499 OG SER A 531 -10.491 6.203 -7.467 1.00 1.08 O ATOM 0 H SER A 531 -8.251 9.607 -6.449 1.00 0.37 H new ATOM 0 HA SER A 531 -10.771 8.250 -5.836 1.00 0.35 H new ATOM 0 HB2 SER A 531 -10.418 8.072 -8.324 1.00 0.40 H new ATOM 0 HB3 SER A 531 -8.860 7.328 -8.021 1.00 0.40 H new ATOM 0 HG SER A 531 -10.164 5.765 -6.654 1.00 1.08 H new ATOM 505 N CYS A 532 -7.897 8.135 -4.747 1.00 0.24 N ATOM 506 CA CYS A 532 -6.947 7.523 -3.837 1.00 0.20 C ATOM 507 C CYS A 532 -7.516 7.571 -2.433 1.00 0.18 C ATOM 508 O CYS A 532 -7.219 8.491 -1.670 1.00 0.21 O ATOM 509 CB CYS A 532 -5.603 8.258 -3.867 1.00 0.21 C ATOM 510 SG CYS A 532 -4.855 8.401 -5.502 1.00 0.25 S ATOM 0 H CYS A 532 -7.762 9.136 -4.890 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.778 6.491 -4.146 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.743 9.259 -3.458 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.906 7.739 -3.208 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.759 8.194 -6.413 1.00 0.25 H new ATOM 516 N THR A 533 -8.346 6.604 -2.088 1.00 0.17 N ATOM 517 CA THR A 533 -8.962 6.616 -0.781 1.00 0.18 C ATOM 518 C THR A 533 -8.152 5.750 0.158 1.00 0.17 C ATOM 519 O THR A 533 -7.501 4.796 -0.269 1.00 0.18 O ATOM 520 CB THR A 533 -10.408 6.083 -0.826 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.398 4.685 -1.134 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.233 6.829 -1.862 1.00 0.28 C ATOM 0 H THR A 533 -8.603 5.817 -2.683 1.00 0.17 H new ATOM 0 HA THR A 533 -8.989 7.648 -0.432 1.00 0.18 H new ATOM 0 HB THR A 533 -10.862 6.241 0.152 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.025 4.507 -1.866 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.248 6.433 -1.873 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.260 7.889 -1.611 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.783 6.701 -2.847 1.00 0.28 H new ATOM 530 N GLU A 534 -8.193 6.080 1.434 1.00 0.19 N ATOM 531 CA GLU A 534 -7.524 5.289 2.442 1.00 0.20 C ATOM 532 C GLU A 534 -8.188 3.935 2.526 1.00 0.19 C ATOM 533 O GLU A 534 -7.540 2.914 2.750 1.00 0.20 O ATOM 534 CB GLU A 534 -7.548 6.016 3.783 1.00 0.23 C ATOM 535 CG GLU A 534 -6.966 7.428 3.704 1.00 0.27 C ATOM 536 CD GLU A 534 -7.108 8.189 5.007 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.154 7.535 6.072 1.00 1.17 O ATOM 538 OE2 GLU A 534 -7.136 9.437 4.977 1.00 1.64 O ATOM 0 H GLU A 534 -8.686 6.896 1.796 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.478 5.144 2.172 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.576 6.071 4.142 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.985 5.437 4.515 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.911 7.368 3.435 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.467 7.980 2.908 1.00 0.27 H new ATOM 545 N ASN A 535 -9.496 3.945 2.316 1.00 0.20 N ATOM 546 CA ASN A 535 -10.290 2.742 2.422 1.00 0.22 C ATOM 547 C ASN A 535 -9.908 1.719 1.361 1.00 0.21 C ATOM 548 O ASN A 535 -9.616 0.594 1.706 1.00 0.21 O ATOM 549 CB ASN A 535 -11.786 3.059 2.331 1.00 0.27 C ATOM 550 CG ASN A 535 -12.319 3.724 3.588 1.00 0.96 C ATOM 551 OD1 ASN A 535 -11.599 4.443 4.280 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.583 3.485 3.896 1.00 1.38 N ATOM 0 H ASN A 535 -10.027 4.780 2.070 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.082 2.309 3.400 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.964 3.711 1.476 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.339 2.137 2.150 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.992 3.902 4.732 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -14.149 2.883 3.297 1.00 1.38 H new ATOM 559 N ASP A 536 -9.814 2.120 0.091 1.00 0.21 N ATOM 560 CA ASP A 536 -9.605 1.146 -0.997 1.00 0.22 C ATOM 561 C ASP A 536 -8.209 0.532 -0.936 1.00 0.17 C ATOM 562 O ASP A 536 -8.036 -0.678 -1.081 1.00 0.16 O ATOM 563 CB ASP A 536 -9.812 1.787 -2.377 1.00 0.27 C ATOM 564 CG ASP A 536 -11.273 2.009 -2.721 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.026 1.016 -2.817 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.679 3.179 -2.892 1.00 0.61 O ATOM 0 H ASP A 536 -9.877 3.092 -0.212 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.347 0.360 -0.856 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.289 2.743 -2.408 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.359 1.151 -3.137 1.00 0.27 H new ATOM 571 N VAL A 537 -7.227 1.389 -0.720 1.00 0.15 N ATOM 572 CA VAL A 537 -5.828 0.972 -0.660 1.00 0.13 C ATOM 573 C VAL A 537 -5.632 -0.036 0.478 1.00 0.12 C ATOM 574 O VAL A 537 -5.050 -1.117 0.302 1.00 0.13 O ATOM 575 CB VAL A 537 -4.902 2.198 -0.472 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.433 1.811 -0.536 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.211 3.245 -1.528 1.00 0.13 C ATOM 0 H VAL A 537 -7.370 2.389 -0.581 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.563 0.491 -1.602 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.092 2.610 0.519 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.816 2.699 -0.400 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.212 1.091 0.252 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.216 1.364 -1.506 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.556 4.105 -1.390 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -5.049 2.821 -2.519 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.250 3.561 -1.434 1.00 0.13 H new ATOM 587 N ILE A 538 -6.160 0.310 1.636 1.00 0.12 N ATOM 588 CA ILE A 538 -6.125 -0.572 2.784 1.00 0.12 C ATOM 589 C ILE A 538 -7.026 -1.798 2.584 1.00 0.12 C ATOM 590 O ILE A 538 -6.718 -2.880 3.082 1.00 0.12 O ATOM 591 CB ILE A 538 -6.477 0.171 4.079 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.422 1.232 4.377 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.576 -0.810 5.230 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.717 2.031 5.622 1.00 0.23 C ATOM 0 H ILE A 538 -6.622 1.203 1.806 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.100 -0.931 2.880 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.442 0.663 3.954 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.451 0.749 4.485 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.348 1.910 3.527 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.826 -0.273 6.145 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.352 -1.545 5.016 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.621 -1.319 5.358 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.929 2.768 5.777 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.673 2.541 5.509 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.762 1.362 6.481 1.00 0.23 H new ATOM 606 N ASN A 539 -8.147 -1.632 1.871 1.00 0.12 N ATOM 607 CA ASN A 539 -9.029 -2.765 1.559 1.00 0.14 C ATOM 608 C ASN A 539 -8.258 -3.827 0.810 1.00 0.15 C ATOM 609 O ASN A 539 -8.613 -4.998 0.845 1.00 0.17 O ATOM 610 CB ASN A 539 -10.234 -2.386 0.677 1.00 0.17 C ATOM 611 CG ASN A 539 -11.301 -1.534 1.340 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.488 -1.680 2.639 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -11.965 -0.747 0.668 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.463 -0.735 1.503 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.398 -3.119 2.522 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.865 -1.854 -0.199 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.700 -3.304 0.319 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.793 -0.660 -0.334 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.688 -0.181 1.112 1.00 0.21 H new ATOM 620 N LEU A 540 -7.232 -3.411 0.089 1.00 0.15 N ATOM 621 CA LEU A 540 -6.371 -4.355 -0.585 1.00 0.17 C ATOM 622 C LEU A 540 -5.450 -5.025 0.425 1.00 0.16 C ATOM 623 O LEU A 540 -5.202 -6.227 0.351 1.00 0.19 O ATOM 624 CB LEU A 540 -5.534 -3.635 -1.643 1.00 0.19 C ATOM 625 CG LEU A 540 -6.331 -2.952 -2.755 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.387 -2.282 -3.739 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.231 -3.948 -3.468 1.00 0.24 C ATOM 0 H LEU A 540 -6.979 -2.432 -0.042 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.987 -5.112 -1.070 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.919 -2.885 -1.147 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.854 -4.356 -2.097 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.966 -2.189 -2.305 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.965 -1.799 -4.527 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.788 -1.535 -3.218 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.729 -3.031 -4.180 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.787 -3.438 -4.254 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.623 -4.738 -3.908 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.930 -4.383 -2.754 1.00 0.24 H new ATOM 639 N GLY A 541 -4.943 -4.230 1.367 1.00 0.14 N ATOM 640 CA GLY A 541 -4.044 -4.758 2.384 1.00 0.16 C ATOM 641 C GLY A 541 -4.677 -5.705 3.399 1.00 0.15 C ATOM 642 O GLY A 541 -4.224 -6.837 3.559 1.00 0.19 O ATOM 0 H GLY A 541 -5.138 -3.232 1.445 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.228 -5.282 1.885 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.602 -3.920 2.923 1.00 0.16 H new ATOM 646 N LEU A 542 -5.749 -5.272 4.043 1.00 0.13 N ATOM 647 CA LEU A 542 -6.290 -5.977 5.216 1.00 0.14 C ATOM 648 C LEU A 542 -6.620 -7.463 4.986 1.00 0.16 C ATOM 649 O LEU A 542 -6.282 -8.296 5.832 1.00 0.20 O ATOM 650 CB LEU A 542 -7.511 -5.246 5.761 1.00 0.13 C ATOM 651 CG LEU A 542 -7.202 -4.004 6.589 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.472 -3.223 6.861 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.531 -4.398 7.895 1.00 0.16 C ATOM 0 H LEU A 542 -6.269 -4.435 3.780 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.483 -5.969 5.949 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.147 -4.957 4.924 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.087 -5.939 6.374 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.520 -3.368 6.025 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.236 -2.339 7.453 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.921 -2.917 5.916 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.174 -3.850 7.410 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.315 -3.503 8.478 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.195 -5.049 8.463 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.601 -4.925 7.682 1.00 0.16 H new ATOM 665 N PRO A 543 -7.294 -7.838 3.882 1.00 0.17 N ATOM 666 CA PRO A 543 -7.659 -9.238 3.625 1.00 0.19 C ATOM 667 C PRO A 543 -6.450 -10.171 3.519 1.00 0.20 C ATOM 668 O PRO A 543 -6.569 -11.371 3.777 1.00 0.23 O ATOM 669 CB PRO A 543 -8.424 -9.173 2.297 1.00 0.22 C ATOM 670 CG PRO A 543 -8.912 -7.771 2.233 1.00 0.21 C ATOM 671 CD PRO A 543 -7.798 -6.959 2.817 1.00 0.17 C ATOM 0 HA PRO A 543 -8.242 -9.655 4.446 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.778 -9.410 1.452 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.249 -9.885 2.276 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.126 -7.472 1.207 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.834 -7.645 2.800 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -7.029 -6.733 2.078 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.152 -6.006 3.210 1.00 0.17 H new ATOM 679 N PHE A 544 -5.288 -9.640 3.147 1.00 0.20 N ATOM 680 CA PHE A 544 -4.081 -10.454 3.075 1.00 0.22 C ATOM 681 C PHE A 544 -3.220 -10.283 4.322 1.00 0.22 C ATOM 682 O PHE A 544 -2.326 -11.088 4.583 1.00 0.28 O ATOM 683 CB PHE A 544 -3.259 -10.086 1.839 1.00 0.23 C ATOM 684 CG PHE A 544 -3.957 -10.335 0.536 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.982 -11.602 -0.017 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.579 -9.300 -0.139 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.616 -11.834 -1.221 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.215 -9.524 -1.341 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.234 -10.794 -1.884 1.00 0.33 C ATOM 0 H PHE A 544 -5.158 -8.661 2.894 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.394 -11.496 3.008 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.989 -9.031 1.897 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.329 -10.654 1.854 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.500 -12.419 0.499 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.566 -8.305 0.281 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.628 -12.828 -1.643 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.698 -8.708 -1.858 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.732 -10.972 -2.826 1.00 0.33 H new ATOM 699 N GLY A 545 -3.492 -9.238 5.089 1.00 0.19 N ATOM 700 CA GLY A 545 -2.728 -8.980 6.294 1.00 0.21 C ATOM 701 C GLY A 545 -3.164 -7.704 6.980 1.00 0.21 C ATOM 702 O GLY A 545 -3.649 -6.784 6.330 1.00 0.44 O ATOM 0 H GLY A 545 -4.231 -8.561 4.898 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.842 -9.818 6.982 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.669 -8.914 6.044 1.00 0.21 H new ATOM 706 N LYS A 546 -3.000 -7.642 8.292 1.00 0.27 N ATOM 707 CA LYS A 546 -3.420 -6.474 9.053 1.00 0.25 C ATOM 708 C LYS A 546 -2.583 -5.254 8.683 1.00 0.20 C ATOM 709 O LYS A 546 -1.357 -5.303 8.692 1.00 0.24 O ATOM 710 CB LYS A 546 -3.322 -6.748 10.556 1.00 0.35 C ATOM 711 CG LYS A 546 -3.698 -5.559 11.431 1.00 0.41 C ATOM 712 CD LYS A 546 -3.496 -5.865 12.908 1.00 0.92 C ATOM 713 CE LYS A 546 -4.429 -6.969 13.387 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.141 -7.372 14.789 1.00 2.07 N ATOM 0 H LYS A 546 -2.580 -8.384 8.852 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.460 -6.265 8.803 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.971 -7.588 10.804 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.302 -7.052 10.793 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.094 -4.696 11.152 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.739 -5.291 11.253 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -2.462 -6.163 13.080 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.669 -4.962 13.494 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -5.462 -6.629 13.312 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -4.331 -7.836 12.733 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.798 -8.125 15.076 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -3.164 -7.721 14.856 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -4.259 -6.552 15.417 1.00 2.07 H new ATOM 728 N VAL A 547 -3.261 -4.167 8.355 1.00 0.16 N ATOM 729 CA VAL A 547 -2.606 -2.923 8.003 1.00 0.15 C ATOM 730 C VAL A 547 -2.318 -2.104 9.254 1.00 0.18 C ATOM 731 O VAL A 547 -3.235 -1.686 9.962 1.00 0.20 O ATOM 732 CB VAL A 547 -3.487 -2.121 7.020 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.917 -0.739 6.747 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.644 -2.895 5.722 1.00 0.14 C ATOM 0 H VAL A 547 -4.280 -4.124 8.326 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.658 -3.149 7.516 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.465 -1.983 7.482 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.567 -0.208 6.051 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.853 -0.181 7.681 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.922 -0.835 6.313 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.266 -2.325 5.032 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.663 -3.059 5.275 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.115 -3.856 5.926 1.00 0.14 H new ATOM 744 N THR A 548 -1.040 -1.906 9.535 1.00 0.20 N ATOM 745 CA THR A 548 -0.626 -1.151 10.705 1.00 0.23 C ATOM 746 C THR A 548 -0.391 0.317 10.368 1.00 0.23 C ATOM 747 O THR A 548 -0.676 1.206 11.171 1.00 0.27 O ATOM 748 CB THR A 548 0.661 -1.754 11.297 1.00 0.27 C ATOM 749 OG1 THR A 548 1.638 -1.917 10.258 1.00 0.26 O ATOM 750 CG2 THR A 548 0.381 -3.099 11.953 1.00 0.31 C ATOM 0 H THR A 548 -0.270 -2.259 8.967 1.00 0.20 H new ATOM 0 HA THR A 548 -1.431 -1.210 11.438 1.00 0.23 H new ATOM 0 HB THR A 548 1.042 -1.074 12.058 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.457 -2.299 10.636 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.306 -3.503 12.363 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.345 -2.968 12.755 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.019 -3.790 11.211 1.00 0.31 H new ATOM 758 N ASN A 549 0.113 0.560 9.169 1.00 0.20 N ATOM 759 CA ASN A 549 0.388 1.915 8.711 1.00 0.21 C ATOM 760 C ASN A 549 0.090 2.035 7.228 1.00 0.18 C ATOM 761 O ASN A 549 0.138 1.050 6.497 1.00 0.20 O ATOM 762 CB ASN A 549 1.854 2.307 8.969 1.00 0.26 C ATOM 763 CG ASN A 549 2.220 2.381 10.442 1.00 0.40 C ATOM 764 OD1 ASN A 549 2.095 3.561 11.026 1.00 1.26 O flip ATOM 765 ND2 ASN A 549 2.627 1.389 11.049 1.00 0.81 N flip ATOM 0 H ASN A 549 0.342 -0.167 8.491 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.256 2.592 9.273 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.505 1.584 8.479 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.048 3.275 8.507 1.00 0.26 H new ATOM 0 HD21 ASN A 549 2.711 0.494 10.566 1.00 0.81 H new ATOM 0 HD22 ASN A 549 2.880 1.462 12.034 1.00 0.81 H new ATOM 772 N TYR A 550 -0.235 3.236 6.795 1.00 0.17 N ATOM 773 CA TYR A 550 -0.522 3.491 5.399 1.00 0.17 C ATOM 774 C TYR A 550 -0.281 4.962 5.090 1.00 0.17 C ATOM 775 O TYR A 550 -0.409 5.811 5.971 1.00 0.17 O ATOM 776 CB TYR A 550 -1.972 3.110 5.097 1.00 0.17 C ATOM 777 CG TYR A 550 -2.987 3.939 5.858 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.816 4.816 5.187 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.106 3.854 7.245 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.733 5.587 5.866 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.028 4.624 7.929 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.837 5.490 7.231 1.00 0.25 C ATOM 783 OH TYR A 550 -5.758 6.265 7.892 1.00 0.31 O ATOM 0 H TYR A 550 -0.307 4.057 7.396 1.00 0.17 H new ATOM 0 HA TYR A 550 0.136 2.889 4.772 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.153 3.221 4.028 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.120 2.057 5.338 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.744 4.899 4.113 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.468 3.176 7.793 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.371 6.269 5.324 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.112 4.546 9.003 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.517 6.448 7.300 1.00 0.31 H new ATOM 793 N ILE A 551 0.074 5.264 3.852 1.00 0.18 N ATOM 794 CA ILE A 551 0.366 6.632 3.443 1.00 0.16 C ATOM 795 C ILE A 551 -0.156 6.838 2.036 1.00 0.17 C ATOM 796 O ILE A 551 0.202 6.085 1.137 1.00 0.20 O ATOM 797 CB ILE A 551 1.886 6.913 3.435 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.530 6.494 4.762 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.157 8.387 3.160 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.035 6.646 4.788 1.00 0.20 C ATOM 0 H ILE A 551 0.168 4.575 3.106 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.111 7.307 4.154 1.00 0.16 H new ATOM 0 HB ILE A 551 2.332 6.320 2.636 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.100 7.090 5.567 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.276 5.454 4.965 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.232 8.565 3.158 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.743 8.658 2.189 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.690 8.994 3.936 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.416 6.330 5.759 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.477 6.028 4.006 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.298 7.690 4.618 1.00 0.20 H new ATOM 812 N LEU A 552 -0.999 7.828 1.829 1.00 0.16 N ATOM 813 CA LEU A 552 -1.581 8.034 0.516 1.00 0.19 C ATOM 814 C LEU A 552 -0.990 9.256 -0.163 1.00 0.19 C ATOM 815 O LEU A 552 -1.115 10.364 0.346 1.00 0.26 O ATOM 816 CB LEU A 552 -3.095 8.176 0.602 1.00 0.27 C ATOM 817 CG LEU A 552 -3.867 6.914 0.931 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.335 7.178 0.709 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.399 5.740 0.090 1.00 0.42 C ATOM 0 H LEU A 552 -1.295 8.496 2.541 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.344 7.154 -0.082 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.326 8.926 1.358 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.458 8.561 -0.351 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.690 6.648 1.973 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.906 6.279 0.941 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.660 7.992 1.357 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.502 7.454 -0.332 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.974 4.852 0.353 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.545 5.968 -0.966 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.341 5.556 0.279 1.00 0.42 H new ATOM 831 N MET A 553 -0.382 9.071 -1.325 1.00 0.18 N ATOM 832 CA MET A 553 0.136 10.212 -2.059 1.00 0.26 C ATOM 833 C MET A 553 -0.680 10.405 -3.323 1.00 0.26 C ATOM 834 O MET A 553 -0.285 9.983 -4.412 1.00 0.25 O ATOM 835 CB MET A 553 1.609 10.017 -2.423 1.00 0.35 C ATOM 836 CG MET A 553 2.535 9.895 -1.226 1.00 0.56 C ATOM 837 SD MET A 553 4.264 9.736 -1.713 1.00 1.03 S ATOM 838 CE MET A 553 4.232 8.179 -2.594 1.00 0.80 C ATOM 0 H MET A 553 -0.238 8.165 -1.770 1.00 0.18 H new ATOM 0 HA MET A 553 0.059 11.094 -1.424 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.705 9.120 -3.035 1.00 0.35 H new ATOM 0 HB3 MET A 553 1.935 10.858 -3.036 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.418 10.771 -0.588 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.246 9.028 -0.632 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.117 7.597 -2.337 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.338 7.621 -2.315 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.221 8.368 -3.667 1.00 0.80 H new ATOM 848 N LYS A 554 -1.819 11.052 -3.163 1.00 0.32 N ATOM 849 CA LYS A 554 -2.660 11.438 -4.290 1.00 0.37 C ATOM 850 C LYS A 554 -1.887 12.245 -5.329 1.00 0.38 C ATOM 851 O LYS A 554 -2.190 12.180 -6.518 1.00 0.40 O ATOM 852 CB LYS A 554 -3.875 12.244 -3.808 1.00 0.47 C ATOM 853 CG LYS A 554 -4.088 12.230 -2.296 1.00 0.43 C ATOM 854 CD LYS A 554 -4.562 10.880 -1.772 1.00 0.37 C ATOM 855 CE LYS A 554 -4.721 10.900 -0.256 1.00 0.39 C ATOM 856 NZ LYS A 554 -5.677 11.944 0.204 1.00 1.03 N ATOM 0 H LYS A 554 -2.190 11.326 -2.253 1.00 0.32 H new ATOM 0 HA LYS A 554 -3.001 10.517 -4.764 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.762 13.277 -4.136 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.770 11.852 -4.291 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.155 12.498 -1.801 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.820 12.993 -2.031 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.513 10.621 -2.236 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.848 10.106 -2.055 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.065 9.923 0.083 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -3.749 11.074 0.206 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -5.997 11.721 1.168 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.206 12.871 0.201 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.497 11.970 -0.436 1.00 1.03 H new ATOM 870 N SER A 555 -0.865 12.969 -4.891 1.00 0.40 N ATOM 871 CA SER A 555 -0.157 13.886 -5.764 1.00 0.44 C ATOM 872 C SER A 555 0.644 13.131 -6.824 1.00 0.38 C ATOM 873 O SER A 555 0.637 13.497 -8.001 1.00 0.38 O ATOM 874 CB SER A 555 0.762 14.771 -4.920 1.00 0.51 C ATOM 875 OG SER A 555 1.659 13.982 -4.152 1.00 0.50 O ATOM 0 H SER A 555 -0.510 12.936 -3.935 1.00 0.40 H new ATOM 0 HA SER A 555 -0.882 14.509 -6.287 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.325 15.441 -5.569 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.164 15.397 -4.258 1.00 0.51 H new ATOM 0 HG SER A 555 2.238 14.568 -3.621 1.00 0.50 H new ATOM 881 N THR A 556 1.314 12.063 -6.407 1.00 0.34 N ATOM 882 CA THR A 556 2.161 11.288 -7.301 1.00 0.32 C ATOM 883 C THR A 556 1.447 10.046 -7.823 1.00 0.27 C ATOM 884 O THR A 556 2.044 9.235 -8.532 1.00 0.28 O ATOM 885 CB THR A 556 3.450 10.851 -6.581 1.00 0.36 C ATOM 886 OG1 THR A 556 3.120 10.154 -5.371 1.00 0.34 O ATOM 887 CG2 THR A 556 4.329 12.045 -6.249 1.00 0.45 C ATOM 0 H THR A 556 1.285 11.714 -5.449 1.00 0.34 H new ATOM 0 HA THR A 556 2.404 11.934 -8.145 1.00 0.32 H new ATOM 0 HB THR A 556 4.001 10.192 -7.252 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.932 10.017 -4.840 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.231 11.703 -5.741 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.604 12.561 -7.169 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.784 12.729 -5.598 1.00 0.45 H new ATOM 895 N ASN A 557 0.165 9.912 -7.476 1.00 0.26 N ATOM 896 CA ASN A 557 -0.632 8.738 -7.854 1.00 0.26 C ATOM 897 C ASN A 557 -0.001 7.468 -7.292 1.00 0.21 C ATOM 898 O ASN A 557 0.013 6.414 -7.936 1.00 0.25 O ATOM 899 CB ASN A 557 -0.775 8.627 -9.384 1.00 0.31 C ATOM 900 CG ASN A 557 -1.705 9.669 -9.990 1.00 0.38 C ATOM 901 OD1 ASN A 557 -1.800 10.835 -9.366 1.00 1.09 O flip ATOM 902 ND2 ASN A 557 -2.343 9.422 -11.015 1.00 1.28 N flip ATOM 0 H ASN A 557 -0.348 10.605 -6.931 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.629 8.859 -7.430 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.210 8.724 -9.840 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.146 7.633 -9.634 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -2.246 8.514 -11.470 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.968 10.125 -11.409 1.00 1.28 H new ATOM 909 N GLN A 558 0.502 7.581 -6.071 1.00 0.17 N ATOM 910 CA GLN A 558 1.215 6.493 -5.415 1.00 0.17 C ATOM 911 C GLN A 558 0.847 6.449 -3.942 1.00 0.16 C ATOM 912 O GLN A 558 0.271 7.396 -3.419 1.00 0.20 O ATOM 913 CB GLN A 558 2.724 6.679 -5.572 1.00 0.22 C ATOM 914 CG GLN A 558 3.189 6.698 -7.015 1.00 0.29 C ATOM 915 CD GLN A 558 4.667 6.991 -7.145 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.457 6.640 -6.269 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.049 7.633 -8.234 1.00 0.84 N ATOM 0 H GLN A 558 0.428 8.428 -5.507 1.00 0.17 H new ATOM 0 HA GLN A 558 0.928 5.551 -5.883 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.018 7.613 -5.093 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.237 5.875 -5.045 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.971 5.735 -7.476 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.623 7.450 -7.565 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.359 7.905 -8.934 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.034 7.857 -8.375 1.00 0.84 H new ATOM 926 N ALA A 559 1.148 5.349 -3.275 1.00 0.15 N ATOM 927 CA ALA A 559 0.829 5.214 -1.867 1.00 0.14 C ATOM 928 C ALA A 559 1.708 4.157 -1.195 1.00 0.14 C ATOM 929 O ALA A 559 2.395 3.383 -1.860 1.00 0.16 O ATOM 930 CB ALA A 559 -0.644 4.890 -1.702 1.00 0.15 C ATOM 0 H ALA A 559 1.612 4.539 -3.685 1.00 0.15 H new ATOM 0 HA ALA A 559 1.035 6.163 -1.372 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.878 4.790 -0.642 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.243 5.693 -2.132 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.870 3.955 -2.214 1.00 0.15 H new ATOM 936 N PHE A 560 1.708 4.167 0.126 1.00 0.14 N ATOM 937 CA PHE A 560 2.463 3.195 0.912 1.00 0.15 C ATOM 938 C PHE A 560 1.537 2.394 1.811 1.00 0.14 C ATOM 939 O PHE A 560 0.539 2.917 2.313 1.00 0.16 O ATOM 940 CB PHE A 560 3.526 3.882 1.772 1.00 0.16 C ATOM 941 CG PHE A 560 4.638 4.519 0.993 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.669 3.749 0.481 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.660 5.888 0.783 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.702 4.333 -0.225 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.690 6.477 0.077 1.00 0.35 C ATOM 946 CZ PHE A 560 6.711 5.698 -0.428 1.00 0.30 C ATOM 0 H PHE A 560 1.189 4.843 0.686 1.00 0.14 H new ATOM 0 HA PHE A 560 2.956 2.524 0.209 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.044 4.645 2.383 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.952 3.148 2.456 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.665 2.680 0.636 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.863 6.501 1.176 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.502 3.723 -0.618 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.697 7.546 -0.080 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.517 6.156 -0.982 1.00 0.30 H new ATOM 956 N LEU A 561 1.880 1.132 2.016 1.00 0.14 N ATOM 957 CA LEU A 561 1.076 0.238 2.829 1.00 0.14 C ATOM 958 C LEU A 561 1.973 -0.606 3.736 1.00 0.16 C ATOM 959 O LEU A 561 2.826 -1.352 3.261 1.00 0.18 O ATOM 960 CB LEU A 561 0.242 -0.661 1.908 1.00 0.15 C ATOM 961 CG LEU A 561 -0.750 -1.601 2.592 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.798 -0.805 3.354 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.411 -2.508 1.560 1.00 0.20 C ATOM 0 H LEU A 561 2.719 0.702 1.626 1.00 0.14 H new ATOM 0 HA LEU A 561 0.409 0.822 3.464 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.311 -0.024 1.218 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.925 -1.263 1.308 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.208 -2.223 3.305 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.496 -1.490 3.835 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.310 -0.193 4.112 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.340 -0.161 2.662 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.116 -3.173 2.059 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.942 -1.900 0.828 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.648 -3.100 1.055 1.00 0.20 H new ATOM 975 N GLU A 562 1.791 -0.457 5.038 1.00 0.17 N ATOM 976 CA GLU A 562 2.527 -1.251 6.015 1.00 0.20 C ATOM 977 C GLU A 562 1.623 -2.330 6.589 1.00 0.18 C ATOM 978 O GLU A 562 0.464 -2.075 6.928 1.00 0.18 O ATOM 979 CB GLU A 562 3.078 -0.371 7.136 1.00 0.27 C ATOM 980 CG GLU A 562 4.517 -0.694 7.525 1.00 0.57 C ATOM 981 CD GLU A 562 4.695 -2.092 8.089 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.800 -3.051 7.290 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.712 -2.247 9.329 1.00 1.21 O ATOM 0 H GLU A 562 1.136 0.210 5.447 1.00 0.17 H new ATOM 0 HA GLU A 562 3.372 -1.720 5.511 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.021 0.673 6.826 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.442 -0.478 8.015 1.00 0.27 H new ATOM 0 HG2 GLU A 562 5.155 -0.581 6.649 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.857 0.032 8.263 1.00 0.57 H new ATOM 990 N MET A 563 2.165 -3.523 6.706 1.00 0.25 N ATOM 991 CA MET A 563 1.389 -4.692 7.065 1.00 0.23 C ATOM 992 C MET A 563 1.950 -5.307 8.339 1.00 0.27 C ATOM 993 O MET A 563 3.063 -4.974 8.729 1.00 0.39 O ATOM 994 CB MET A 563 1.422 -5.680 5.899 1.00 0.25 C ATOM 995 CG MET A 563 1.056 -5.018 4.577 1.00 0.25 C ATOM 996 SD MET A 563 1.638 -5.929 3.139 1.00 0.31 S ATOM 997 CE MET A 563 1.172 -4.815 1.810 1.00 0.25 C ATOM 0 H MET A 563 3.156 -3.711 6.555 1.00 0.25 H new ATOM 0 HA MET A 563 0.352 -4.419 7.259 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.418 -6.116 5.822 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.730 -6.498 6.098 1.00 0.25 H new ATOM 0 HG2 MET A 563 -0.027 -4.914 4.518 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.474 -4.012 4.555 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.254 -5.334 0.855 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.144 -4.484 1.956 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.835 -3.950 1.811 1.00 0.25 H new ATOM 1007 N ALA A 564 1.200 -6.171 9.004 1.00 0.28 N ATOM 1008 CA ALA A 564 1.621 -6.673 10.309 1.00 0.33 C ATOM 1009 C ALA A 564 2.917 -7.465 10.214 1.00 0.27 C ATOM 1010 O ALA A 564 3.818 -7.300 11.039 1.00 0.40 O ATOM 1011 CB ALA A 564 0.526 -7.518 10.934 1.00 0.50 C ATOM 0 H ALA A 564 0.308 -6.537 8.671 1.00 0.28 H new ATOM 0 HA ALA A 564 1.807 -5.811 10.949 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.858 -7.883 11.906 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.372 -6.914 11.061 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.305 -8.365 10.285 1.00 0.50 H new ATOM 1017 N TYR A 565 3.013 -8.314 9.202 1.00 0.27 N ATOM 1018 CA TYR A 565 4.184 -9.158 9.027 1.00 0.37 C ATOM 1019 C TYR A 565 4.689 -9.086 7.590 1.00 0.33 C ATOM 1020 O TYR A 565 3.944 -8.735 6.675 1.00 0.29 O ATOM 1021 CB TYR A 565 3.854 -10.606 9.400 1.00 0.55 C ATOM 1022 CG TYR A 565 3.464 -10.793 10.850 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.129 -10.850 11.230 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.432 -10.906 11.839 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.771 -11.012 12.554 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.081 -11.071 13.165 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.750 -11.122 13.516 1.00 0.98 C ATOM 1028 OH TYR A 565 2.397 -11.280 14.838 1.00 1.15 O ATOM 0 H TYR A 565 2.293 -8.436 8.489 1.00 0.27 H new ATOM 0 HA TYR A 565 4.971 -8.795 9.687 1.00 0.37 H new ATOM 0 HB2 TYR A 565 3.039 -10.957 8.767 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.719 -11.233 9.183 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.359 -10.766 10.478 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.476 -10.864 11.567 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.729 -11.052 12.833 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.846 -11.160 13.922 1.00 1.00 H new ATOM 0 HH TYR A 565 3.206 -11.343 15.387 1.00 1.15 H new ATOM 1038 N THR A 566 5.957 -9.437 7.405 1.00 0.39 N ATOM 1039 CA THR A 566 6.581 -9.396 6.087 1.00 0.40 C ATOM 1040 C THR A 566 5.946 -10.439 5.165 1.00 0.36 C ATOM 1041 O THR A 566 5.910 -10.269 3.944 1.00 0.35 O ATOM 1042 CB THR A 566 8.114 -9.598 6.164 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.724 -9.247 4.916 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.476 -11.035 6.513 1.00 0.57 C ATOM 0 H THR A 566 6.574 -9.754 8.153 1.00 0.39 H new ATOM 0 HA THR A 566 6.407 -8.403 5.673 1.00 0.40 H new ATOM 0 HB THR A 566 8.488 -8.948 6.955 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.605 -8.851 5.082 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.560 -11.136 6.558 1.00 0.57 H new ATOM 0 HG22 THR A 566 8.047 -11.293 7.481 1.00 0.57 H new ATOM 0 HG23 THR A 566 8.080 -11.705 5.750 1.00 0.57 H new ATOM 1052 N GLU A 567 5.425 -11.508 5.770 1.00 0.38 N ATOM 1053 CA GLU A 567 4.713 -12.553 5.040 1.00 0.40 C ATOM 1054 C GLU A 567 3.536 -11.971 4.263 1.00 0.31 C ATOM 1055 O GLU A 567 3.187 -12.458 3.187 1.00 0.32 O ATOM 1056 CB GLU A 567 4.210 -13.630 6.002 1.00 0.49 C ATOM 1057 CG GLU A 567 3.317 -13.092 7.109 1.00 0.55 C ATOM 1058 CD GLU A 567 2.729 -14.190 7.966 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.082 -14.270 9.161 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.915 -14.981 7.451 1.00 0.84 O ATOM 0 H GLU A 567 5.485 -11.671 6.775 1.00 0.38 H new ATOM 0 HA GLU A 567 5.412 -13.001 4.333 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.659 -14.382 5.436 1.00 0.49 H new ATOM 0 HB3 GLU A 567 5.067 -14.133 6.451 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.893 -12.414 7.738 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.509 -12.508 6.668 1.00 0.55 H new ATOM 1067 N ALA A 568 2.935 -10.925 4.814 1.00 0.26 N ATOM 1068 CA ALA A 568 1.770 -10.310 4.208 1.00 0.24 C ATOM 1069 C ALA A 568 2.178 -9.530 2.971 1.00 0.21 C ATOM 1070 O ALA A 568 1.534 -9.624 1.929 1.00 0.22 O ATOM 1071 CB ALA A 568 1.064 -9.405 5.204 1.00 0.25 C ATOM 0 H ALA A 568 3.239 -10.486 5.683 1.00 0.26 H new ATOM 0 HA ALA A 568 1.074 -11.095 3.912 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.193 -8.953 4.731 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.745 -9.991 6.066 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.747 -8.621 5.531 1.00 0.25 H new ATOM 1077 N ALA A 569 3.283 -8.801 3.082 1.00 0.19 N ATOM 1078 CA ALA A 569 3.747 -7.942 2.006 1.00 0.21 C ATOM 1079 C ALA A 569 4.093 -8.746 0.765 1.00 0.22 C ATOM 1080 O ALA A 569 3.673 -8.409 -0.339 1.00 0.24 O ATOM 1081 CB ALA A 569 4.959 -7.150 2.468 1.00 0.23 C ATOM 0 H ALA A 569 3.875 -8.790 3.913 1.00 0.19 H new ATOM 0 HA ALA A 569 2.940 -7.257 1.746 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.304 -6.507 1.658 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.687 -6.537 3.327 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.757 -7.837 2.750 1.00 0.23 H new ATOM 1087 N GLN A 570 4.820 -9.834 0.958 1.00 0.24 N ATOM 1088 CA GLN A 570 5.244 -10.661 -0.157 1.00 0.28 C ATOM 1089 C GLN A 570 4.051 -11.384 -0.776 1.00 0.27 C ATOM 1090 O GLN A 570 3.983 -11.559 -1.991 1.00 0.29 O ATOM 1091 CB GLN A 570 6.337 -11.645 0.276 1.00 0.34 C ATOM 1092 CG GLN A 570 5.934 -12.579 1.403 1.00 0.38 C ATOM 1093 CD GLN A 570 7.119 -13.335 1.969 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.757 -12.887 2.921 1.00 1.24 O ATOM 1095 NE2 GLN A 570 7.432 -14.476 1.381 1.00 1.04 N ATOM 0 H GLN A 570 5.127 -10.163 1.873 1.00 0.24 H new ATOM 0 HA GLN A 570 5.672 -10.013 -0.922 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.632 -12.243 -0.586 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.215 -11.079 0.587 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.459 -12.004 2.197 1.00 0.38 H new ATOM 0 HG3 GLN A 570 5.193 -13.289 1.037 1.00 0.38 H new ATOM 0 HE21 GLN A 570 6.877 -14.813 0.594 1.00 1.04 H new ATOM 0 HE22 GLN A 570 8.228 -15.020 1.714 1.00 1.04 H new ATOM 1104 N ALA A 571 3.099 -11.779 0.067 1.00 0.26 N ATOM 1105 CA ALA A 571 1.898 -12.454 -0.401 1.00 0.27 C ATOM 1106 C ALA A 571 1.059 -11.529 -1.275 1.00 0.25 C ATOM 1107 O ALA A 571 0.559 -11.938 -2.325 1.00 0.27 O ATOM 1108 CB ALA A 571 1.079 -12.951 0.779 1.00 0.31 C ATOM 0 H ALA A 571 3.139 -11.642 1.077 1.00 0.26 H new ATOM 0 HA ALA A 571 2.201 -13.310 -1.004 1.00 0.27 H new ATOM 0 HB1 ALA A 571 0.183 -13.454 0.414 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.674 -13.650 1.366 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.791 -12.106 1.404 1.00 0.31 H new ATOM 1114 N MET A 572 0.911 -10.280 -0.842 1.00 0.25 N ATOM 1115 CA MET A 572 0.132 -9.309 -1.598 1.00 0.28 C ATOM 1116 C MET A 572 0.820 -8.982 -2.909 1.00 0.24 C ATOM 1117 O MET A 572 0.177 -8.939 -3.954 1.00 0.24 O ATOM 1118 CB MET A 572 -0.089 -8.022 -0.804 1.00 0.37 C ATOM 1119 CG MET A 572 -0.682 -8.253 0.570 1.00 0.47 C ATOM 1120 SD MET A 572 -1.358 -6.759 1.304 1.00 0.36 S ATOM 1121 CE MET A 572 -1.367 -7.233 3.031 1.00 0.33 C ATOM 0 H MET A 572 1.317 -9.920 0.022 1.00 0.25 H new ATOM 0 HA MET A 572 -0.840 -9.759 -1.798 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.863 -7.503 -0.697 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.749 -7.364 -1.370 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.469 -9.004 0.498 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.087 -8.659 1.228 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.555 -6.355 3.648 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.151 -7.971 3.202 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.401 -7.663 3.295 1.00 0.33 H new ATOM 1131 N VAL A 573 2.132 -8.777 -2.861 1.00 0.24 N ATOM 1132 CA VAL A 573 2.885 -8.462 -4.065 1.00 0.27 C ATOM 1133 C VAL A 573 2.713 -9.572 -5.092 1.00 0.25 C ATOM 1134 O VAL A 573 2.385 -9.308 -6.241 1.00 0.28 O ATOM 1135 CB VAL A 573 4.388 -8.253 -3.773 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.173 -8.054 -5.064 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.593 -7.067 -2.845 1.00 0.32 C ATOM 0 H VAL A 573 2.690 -8.823 -2.008 1.00 0.24 H new ATOM 0 HA VAL A 573 2.490 -7.526 -4.460 1.00 0.27 H new ATOM 0 HB VAL A 573 4.761 -9.151 -3.281 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.228 -7.909 -4.830 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.059 -8.933 -5.698 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.794 -7.177 -5.589 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.658 -6.936 -2.651 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.196 -6.166 -3.313 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.073 -7.247 -1.904 1.00 0.32 H new ATOM 1147 N GLN A 574 2.867 -10.815 -4.653 1.00 0.23 N ATOM 1148 CA GLN A 574 2.710 -11.961 -5.543 1.00 0.25 C ATOM 1149 C GLN A 574 1.297 -12.028 -6.112 1.00 0.23 C ATOM 1150 O GLN A 574 1.102 -12.401 -7.271 1.00 0.26 O ATOM 1151 CB GLN A 574 3.047 -13.264 -4.817 1.00 0.28 C ATOM 1152 CG GLN A 574 4.526 -13.416 -4.501 1.00 0.33 C ATOM 1153 CD GLN A 574 5.406 -13.174 -5.712 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.675 -14.086 -6.493 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.876 -11.947 -5.867 1.00 2.09 N ATOM 0 H GLN A 574 3.100 -11.056 -3.690 1.00 0.23 H new ATOM 0 HA GLN A 574 3.407 -11.832 -6.371 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.478 -13.311 -3.888 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.726 -14.106 -5.430 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.799 -12.716 -3.711 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.711 -14.419 -4.116 1.00 0.33 H new ATOM 0 HE21 GLN A 574 5.630 -11.218 -5.197 1.00 2.09 H new ATOM 0 HE22 GLN A 574 6.485 -11.730 -6.656 1.00 2.09 H new ATOM 1164 N TYR A 575 0.316 -11.672 -5.293 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.071 -11.681 -5.733 1.00 0.20 C ATOM 1166 C TYR A 575 -1.313 -10.598 -6.782 1.00 0.20 C ATOM 1167 O TYR A 575 -1.801 -10.886 -7.867 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.023 -11.489 -4.543 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.475 -11.318 -4.942 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.038 -10.056 -5.095 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.282 -12.425 -5.167 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.364 -9.908 -5.459 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.604 -12.284 -5.532 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.137 -10.983 -5.670 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.462 -10.885 -6.040 1.00 0.48 O ATOM 0 H TYR A 575 0.454 -11.375 -4.327 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.273 -12.652 -6.184 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.937 -12.349 -3.879 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.707 -10.614 -3.974 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.431 -9.179 -4.927 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.866 -13.415 -5.054 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -5.780 -8.918 -5.574 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.221 -13.153 -5.709 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.840 -11.783 -6.143 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.945 -9.363 -6.459 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.202 -8.228 -7.348 1.00 0.25 C ATOM 1187 C TYR A 576 -0.261 -8.200 -8.554 1.00 0.30 C ATOM 1188 O TYR A 576 -0.506 -7.471 -9.518 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.151 -6.913 -6.565 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.260 -6.810 -5.534 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.539 -6.412 -5.900 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.032 -7.134 -4.204 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.559 -6.345 -4.968 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.044 -7.065 -3.265 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.304 -6.671 -3.651 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.320 -6.620 -2.722 1.00 0.35 O ATOM 0 H TYR A 576 -0.469 -9.119 -5.591 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.207 -8.352 -7.751 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.186 -6.828 -6.066 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.226 -6.076 -7.260 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.741 -6.151 -6.928 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.045 -7.446 -3.897 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.550 -6.039 -5.269 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.846 -7.319 -2.234 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.940 -6.484 -1.829 1.00 0.35 H new ATOM 1206 N GLN A 577 0.814 -8.980 -8.505 1.00 0.31 N ATOM 1207 CA GLN A 577 1.645 -9.184 -9.689 1.00 0.38 C ATOM 1208 C GLN A 577 0.850 -9.932 -10.750 1.00 0.37 C ATOM 1209 O GLN A 577 0.900 -9.598 -11.937 1.00 0.42 O ATOM 1210 CB GLN A 577 2.913 -9.985 -9.363 1.00 0.45 C ATOM 1211 CG GLN A 577 3.989 -9.206 -8.625 1.00 0.52 C ATOM 1212 CD GLN A 577 4.707 -8.202 -9.507 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.128 -7.628 -10.429 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.986 -7.999 -9.238 1.00 1.57 N ATOM 0 H GLN A 577 1.128 -9.476 -7.671 1.00 0.31 H new ATOM 0 HA GLN A 577 1.943 -8.202 -10.055 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.634 -10.850 -8.762 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.334 -10.366 -10.293 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.537 -8.683 -7.782 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.717 -9.905 -8.213 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.429 -8.495 -8.465 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.529 -7.347 -9.804 1.00 1.57 H new ATOM 1223 N GLU A 578 0.122 -10.942 -10.307 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.655 -11.775 -11.210 1.00 0.38 C ATOM 1225 C GLU A 578 -2.076 -11.247 -11.393 1.00 0.33 C ATOM 1226 O GLU A 578 -2.617 -11.276 -12.500 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.692 -13.200 -10.671 1.00 0.42 C ATOM 1228 CG GLU A 578 0.684 -13.835 -10.551 1.00 0.52 C ATOM 1229 CD GLU A 578 1.336 -14.051 -11.898 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.200 -13.233 -12.276 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.997 -15.038 -12.583 1.00 1.31 O ATOM 0 H GLU A 578 0.052 -11.206 -9.324 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.174 -11.756 -12.188 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.170 -13.198 -9.691 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.311 -13.813 -11.326 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.323 -13.199 -9.938 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.597 -14.791 -10.035 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.677 -10.758 -10.318 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.016 -10.191 -10.375 1.00 0.28 C ATOM 1240 C LYS A 579 -4.038 -8.818 -9.709 1.00 0.25 C ATOM 1241 O LYS A 579 -4.318 -8.700 -8.515 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.021 -11.116 -9.681 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.144 -12.490 -10.321 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.200 -13.334 -9.626 1.00 0.69 C ATOM 1245 CE LYS A 579 -6.399 -14.673 -10.319 1.00 1.69 C ATOM 1246 NZ LYS A 579 -5.174 -15.518 -10.279 1.00 2.46 N ATOM 0 H LYS A 579 -2.255 -10.743 -9.390 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.298 -10.085 -11.423 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.727 -11.238 -8.638 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.000 -10.637 -9.682 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.400 -12.380 -11.375 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.182 -13.000 -10.278 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.907 -13.501 -8.589 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -7.145 -12.791 -9.607 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -7.222 -15.207 -9.843 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -6.687 -14.503 -11.357 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -5.387 -16.457 -10.672 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -4.424 -15.069 -10.842 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -4.854 -15.619 -9.295 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.725 -7.763 -10.472 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.715 -6.393 -9.959 1.00 0.25 C ATOM 1262 C PRO A 580 -5.122 -5.876 -9.677 1.00 0.22 C ATOM 1263 O PRO A 580 -6.112 -6.417 -10.179 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.067 -5.593 -11.090 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.347 -6.381 -12.321 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.354 -7.822 -11.898 1.00 0.32 C ATOM 0 HA PRO A 580 -3.185 -6.315 -9.010 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.489 -4.590 -11.158 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.995 -5.478 -10.929 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.305 -6.098 -12.756 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.586 -6.201 -13.081 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.071 -8.406 -12.475 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.378 -8.286 -12.039 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.210 -4.830 -8.871 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.492 -4.229 -8.545 1.00 0.22 C ATOM 1276 C ALA A 581 -6.769 -3.094 -9.512 1.00 0.20 C ATOM 1277 O ALA A 581 -5.874 -2.321 -9.824 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.492 -3.722 -7.112 1.00 0.27 C ATOM 0 H ALA A 581 -4.408 -4.380 -8.430 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.278 -4.979 -8.636 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.460 -3.275 -6.884 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -6.307 -4.554 -6.432 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.709 -2.974 -6.991 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.987 -3.003 -10.007 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.309 -2.005 -11.012 1.00 0.26 C ATOM 1286 C ILE A 582 -9.132 -0.869 -10.416 1.00 0.28 C ATOM 1287 O ILE A 582 -10.182 -1.100 -9.818 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.078 -2.628 -12.195 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.305 -3.824 -12.759 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.309 -1.587 -13.283 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.026 -4.547 -13.877 1.00 0.51 C ATOM 0 H ILE A 582 -8.766 -3.602 -9.734 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.363 -1.605 -11.378 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.047 -2.976 -11.836 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.338 -3.479 -13.126 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.106 -4.529 -11.952 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -9.853 -2.041 -14.111 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -9.891 -0.759 -12.877 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.349 -1.215 -13.640 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.416 -5.381 -14.224 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -9.981 -4.924 -13.510 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.201 -3.857 -14.703 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.644 0.353 -10.581 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.347 1.541 -10.117 1.00 0.33 C ATOM 1305 C ILE A 583 -9.433 2.566 -11.244 1.00 0.36 C ATOM 1306 O ILE A 583 -8.408 3.078 -11.697 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.650 2.188 -8.896 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.752 1.283 -7.662 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.256 3.552 -8.602 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.165 1.116 -7.146 1.00 0.51 C ATOM 0 H ILE A 583 -7.753 0.548 -11.038 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.346 1.229 -9.811 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.595 2.317 -9.137 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.346 0.302 -7.907 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.131 1.696 -6.867 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.756 3.995 -7.741 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.129 4.201 -9.468 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.318 3.439 -8.386 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -10.159 0.464 -6.273 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.568 2.090 -6.868 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.787 0.674 -7.925 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.653 2.837 -11.708 1.00 0.41 N ATOM 1323 CA ASN A 584 -10.887 3.785 -12.804 1.00 0.47 C ATOM 1324 C ASN A 584 -10.077 3.410 -14.040 1.00 0.45 C ATOM 1325 O ASN A 584 -9.611 4.275 -14.785 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.572 5.227 -12.381 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.572 5.778 -11.385 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.745 5.407 -11.395 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.124 6.679 -10.529 1.00 0.91 N ATOM 0 H ASN A 584 -11.503 2.410 -11.340 1.00 0.41 H new ATOM 0 HA ASN A 584 -11.946 3.729 -13.054 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.574 5.263 -11.945 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.557 5.865 -13.265 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.758 7.092 -9.845 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.144 6.961 -10.552 1.00 0.91 H new ATOM 1336 N GLY A 585 -9.918 2.112 -14.250 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.207 1.622 -15.412 1.00 0.44 C ATOM 1338 C GLY A 585 -7.708 1.526 -15.205 1.00 0.39 C ATOM 1339 O GLY A 585 -6.979 1.122 -16.112 1.00 0.42 O ATOM 0 H GLY A 585 -10.272 1.384 -13.630 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -9.593 0.638 -15.677 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.408 2.281 -16.256 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.237 1.879 -14.019 1.00 0.35 N ATOM 1344 CA GLU A 586 -5.819 1.790 -13.720 1.00 0.32 C ATOM 1345 C GLU A 586 -5.546 0.582 -12.835 1.00 0.24 C ATOM 1346 O GLU A 586 -6.158 0.429 -11.778 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.348 3.065 -13.018 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.446 4.311 -13.883 1.00 0.57 C ATOM 1349 CD GLU A 586 -4.384 4.361 -14.961 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.352 5.038 -14.766 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -4.571 3.712 -16.011 1.00 1.79 O ATOM 0 H GLU A 586 -7.813 2.228 -13.253 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.270 1.677 -14.655 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -5.941 3.212 -12.116 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.313 2.934 -12.701 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -6.431 4.349 -14.348 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.358 5.195 -13.251 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.656 -0.288 -13.288 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.225 -1.423 -12.486 1.00 0.19 C ATOM 1360 C LYS A 587 -3.206 -0.997 -11.440 1.00 0.17 C ATOM 1361 O LYS A 587 -2.163 -0.428 -11.763 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.640 -2.513 -13.381 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.670 -3.155 -14.296 1.00 0.33 C ATOM 1364 CD LYS A 587 -4.041 -4.187 -15.211 1.00 1.14 C ATOM 1365 CE LYS A 587 -5.088 -4.865 -16.079 1.00 1.10 C ATOM 1366 NZ LYS A 587 -4.484 -5.848 -17.015 1.00 1.67 N ATOM 0 H LYS A 587 -4.218 -0.230 -14.207 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.097 -1.822 -11.968 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.841 -2.086 -13.987 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.189 -3.284 -12.756 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.447 -3.627 -13.695 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -5.155 -2.384 -14.895 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -3.295 -3.708 -15.845 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.519 -4.936 -14.615 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -5.815 -5.370 -15.443 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.632 -4.110 -16.647 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -5.233 -6.287 -17.588 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -3.809 -5.363 -17.640 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -3.987 -6.583 -16.473 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.518 -1.284 -10.188 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.684 -0.896 -9.068 1.00 0.15 C ATOM 1382 C LEU A 588 -1.525 -1.867 -8.909 1.00 0.17 C ATOM 1383 O LEU A 588 -1.698 -3.082 -9.021 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.520 -0.876 -7.787 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.826 -0.083 -7.875 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.532 -0.067 -6.532 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.568 1.330 -8.360 1.00 0.16 C ATOM 0 H LEU A 588 -4.360 -1.794 -9.921 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.283 0.100 -9.257 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.755 -1.903 -7.509 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.914 -0.459 -6.983 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.475 -0.576 -8.599 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.458 0.501 -6.615 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.759 -1.089 -6.228 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.886 0.398 -5.787 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.511 1.874 -8.414 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.897 1.836 -7.666 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.110 1.297 -9.349 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.350 -1.326 -8.646 1.00 0.17 N ATOM 1400 CA LEU A 589 0.843 -2.141 -8.519 1.00 0.19 C ATOM 1401 C LEU A 589 1.356 -2.119 -7.081 1.00 0.18 C ATOM 1402 O LEU A 589 1.806 -1.081 -6.598 1.00 0.18 O ATOM 1403 CB LEU A 589 1.922 -1.640 -9.485 1.00 0.23 C ATOM 1404 CG LEU A 589 3.141 -2.547 -9.636 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.736 -3.875 -10.251 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.202 -1.871 -10.490 1.00 0.38 C ATOM 0 H LEU A 589 -0.196 -0.326 -8.516 1.00 0.17 H new ATOM 0 HA LEU A 589 0.595 -3.171 -8.774 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.470 -1.502 -10.467 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.260 -0.660 -9.148 1.00 0.23 H new ATOM 0 HG LEU A 589 3.560 -2.734 -8.647 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.615 -4.512 -10.353 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.005 -4.366 -9.608 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.297 -3.702 -11.234 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.064 -2.530 -10.588 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.793 -1.659 -11.478 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.510 -0.939 -10.017 1.00 0.38 H new ATOM 1418 N ILE A 590 1.264 -3.254 -6.398 1.00 0.18 N ATOM 1419 CA ILE A 590 1.793 -3.373 -5.043 1.00 0.18 C ATOM 1420 C ILE A 590 3.116 -4.134 -5.060 1.00 0.20 C ATOM 1421 O ILE A 590 3.164 -5.292 -5.473 1.00 0.26 O ATOM 1422 CB ILE A 590 0.803 -4.098 -4.096 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.549 -3.375 -4.080 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.382 -4.192 -2.687 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.516 -3.880 -3.026 1.00 0.21 C ATOM 0 H ILE A 590 0.829 -4.103 -6.758 1.00 0.18 H new ATOM 0 HA ILE A 590 1.947 -2.361 -4.667 1.00 0.18 H new ATOM 0 HB ILE A 590 0.646 -5.110 -4.468 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.377 -2.311 -3.918 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -1.014 -3.477 -5.061 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.673 -4.704 -2.036 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.318 -4.750 -2.715 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.569 -3.189 -2.303 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.446 -3.314 -3.085 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.722 -4.936 -3.198 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.076 -3.753 -2.037 1.00 0.21 H new ATOM 1437 N ARG A 591 4.183 -3.476 -4.622 1.00 0.18 N ATOM 1438 CA ARG A 591 5.515 -4.075 -4.592 1.00 0.22 C ATOM 1439 C ARG A 591 6.291 -3.552 -3.388 1.00 0.18 C ATOM 1440 O ARG A 591 5.900 -2.564 -2.770 1.00 0.19 O ATOM 1441 CB ARG A 591 6.288 -3.772 -5.884 1.00 0.33 C ATOM 1442 CG ARG A 591 5.712 -4.450 -7.120 1.00 0.45 C ATOM 1443 CD ARG A 591 6.584 -4.227 -8.346 1.00 0.65 C ATOM 1444 NE ARG A 591 5.992 -4.819 -9.547 1.00 1.33 N ATOM 1445 CZ ARG A 591 6.677 -5.130 -10.648 1.00 1.69 C ATOM 1446 NH1 ARG A 591 7.992 -4.967 -10.686 1.00 1.56 N ATOM 1447 NH2 ARG A 591 6.047 -5.621 -11.708 1.00 2.62 N ATOM 0 H ARG A 591 4.151 -2.516 -4.279 1.00 0.18 H new ATOM 0 HA ARG A 591 5.401 -5.156 -4.510 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.299 -2.694 -6.045 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.324 -4.087 -5.758 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.613 -5.520 -6.935 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.710 -4.065 -7.312 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.728 -3.158 -8.501 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.570 -4.660 -8.175 1.00 0.65 H new ATOM 0 HE ARG A 591 4.989 -5.006 -9.541 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.484 -4.602 -9.871 1.00 1.56 H new ATOM 0 HH12 ARG A 591 8.511 -5.206 -11.531 1.00 1.56 H new ATOM 0 HH21 ARG A 591 5.037 -5.761 -11.681 1.00 2.62 H new ATOM 0 HH22 ARG A 591 6.573 -5.858 -12.549 1.00 2.62 H new ATOM 1461 N MET A 592 7.395 -4.208 -3.058 1.00 0.17 N ATOM 1462 CA MET A 592 8.197 -3.801 -1.911 1.00 0.18 C ATOM 1463 C MET A 592 9.095 -2.635 -2.295 1.00 0.21 C ATOM 1464 O MET A 592 9.706 -2.646 -3.364 1.00 0.29 O ATOM 1465 CB MET A 592 9.055 -4.955 -1.391 1.00 0.19 C ATOM 1466 CG MET A 592 8.268 -6.074 -0.735 1.00 0.22 C ATOM 1467 SD MET A 592 9.345 -7.247 0.106 1.00 0.29 S ATOM 1468 CE MET A 592 8.151 -8.413 0.753 1.00 0.34 C ATOM 0 H MET A 592 7.754 -5.018 -3.563 1.00 0.17 H new ATOM 0 HA MET A 592 7.514 -3.498 -1.117 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.628 -5.368 -2.221 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.774 -4.562 -0.672 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.563 -5.651 -0.020 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.681 -6.597 -1.490 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.649 -9.356 0.980 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.705 -8.010 1.662 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.371 -8.584 0.011 1.00 0.34 H new ATOM 1478 N SER A 593 9.174 -1.631 -1.431 1.00 0.23 N ATOM 1479 CA SER A 593 9.992 -0.462 -1.709 1.00 0.26 C ATOM 1480 C SER A 593 11.472 -0.782 -1.571 1.00 0.25 C ATOM 1481 O SER A 593 11.898 -1.464 -0.633 1.00 0.27 O ATOM 1482 CB SER A 593 9.623 0.691 -0.782 1.00 0.34 C ATOM 1483 OG SER A 593 10.416 1.838 -1.044 1.00 1.37 O ATOM 0 H SER A 593 8.684 -1.604 -0.537 1.00 0.23 H new ATOM 0 HA SER A 593 9.797 -0.163 -2.739 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.569 0.939 -0.908 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.756 0.383 0.255 1.00 0.34 H new ATOM 0 HG SER A 593 10.030 2.338 -1.793 1.00 1.37 H new ATOM 1489 N THR A 594 12.230 -0.295 -2.536 1.00 0.27 N ATOM 1490 CA THR A 594 13.669 -0.455 -2.562 1.00 0.30 C ATOM 1491 C THR A 594 14.375 0.709 -1.868 1.00 0.31 C ATOM 1492 O THR A 594 15.560 0.624 -1.542 1.00 0.33 O ATOM 1493 CB THR A 594 14.165 -0.562 -4.012 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.574 0.483 -4.798 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.812 -1.913 -4.609 1.00 0.38 C ATOM 0 H THR A 594 11.859 0.227 -3.330 1.00 0.27 H new ATOM 0 HA THR A 594 13.908 -1.372 -2.023 1.00 0.30 H new ATOM 0 HB THR A 594 15.250 -0.459 -4.015 1.00 0.35 H new ATOM 0 HG1 THR A 594 13.891 0.416 -5.723 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.174 -1.963 -5.636 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.278 -2.704 -4.021 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.730 -2.044 -4.599 1.00 0.38 H new ATOM 1503 N ARG A 595 13.637 1.789 -1.625 1.00 0.32 N ATOM 1504 CA ARG A 595 14.251 3.036 -1.186 1.00 0.37 C ATOM 1505 C ARG A 595 14.118 3.257 0.319 1.00 0.37 C ATOM 1506 O ARG A 595 14.978 3.881 0.935 1.00 0.41 O ATOM 1507 CB ARG A 595 13.618 4.212 -1.932 1.00 0.41 C ATOM 1508 CG ARG A 595 13.880 4.198 -3.429 1.00 0.46 C ATOM 1509 CD ARG A 595 13.172 5.345 -4.132 1.00 0.56 C ATOM 1510 NE ARG A 595 13.520 6.642 -3.555 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.218 7.814 -4.108 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.611 7.864 -5.289 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.541 8.937 -3.486 1.00 2.75 N ATOM 0 H ARG A 595 12.622 1.825 -1.724 1.00 0.32 H new ATOM 0 HA ARG A 595 15.315 2.969 -1.413 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.542 4.203 -1.760 1.00 0.41 H new ATOM 0 HB3 ARG A 595 13.999 5.144 -1.514 1.00 0.41 H new ATOM 0 HG2 ARG A 595 14.952 4.265 -3.612 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.544 3.250 -3.849 1.00 0.46 H new ATOM 0 HD2 ARG A 595 13.433 5.338 -5.190 1.00 0.56 H new ATOM 0 HD3 ARG A 595 12.094 5.198 -4.069 1.00 0.56 H new ATOM 0 HE ARG A 595 14.028 6.649 -2.670 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.374 7.001 -5.777 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.382 8.766 -5.707 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.020 8.902 -2.586 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.311 9.837 -3.907 1.00 2.75 H new ATOM 1527 N TYR A 596 13.055 2.741 0.913 1.00 0.35 N ATOM 1528 CA TYR A 596 12.816 2.956 2.336 1.00 0.37 C ATOM 1529 C TYR A 596 12.574 1.648 3.070 1.00 0.35 C ATOM 1530 O TYR A 596 12.039 0.692 2.502 1.00 0.36 O ATOM 1531 CB TYR A 596 11.636 3.909 2.538 1.00 0.39 C ATOM 1532 CG TYR A 596 11.911 5.320 2.066 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.480 5.755 0.819 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.607 6.216 2.866 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.737 7.042 0.386 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.865 7.504 2.440 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.429 7.912 1.201 1.00 0.56 C ATOM 1538 OH TYR A 596 12.684 9.196 0.773 1.00 0.65 O ATOM 0 H TYR A 596 12.349 2.176 0.441 1.00 0.35 H new ATOM 0 HA TYR A 596 13.714 3.408 2.758 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.769 3.519 2.005 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.376 3.933 3.596 1.00 0.39 H new ATOM 0 HD1 TYR A 596 10.936 5.077 0.178 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.953 5.900 3.839 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.397 7.365 -0.587 1.00 0.54 H new ATOM 0 HE2 TYR A 596 13.407 8.188 3.077 1.00 0.61 H new ATOM 0 HH TYR A 596 13.180 9.679 1.466 1.00 0.65 H new ATOM 1548 N LYS A 597 13.002 1.604 4.328 1.00 0.38 N ATOM 1549 CA LYS A 597 12.835 0.416 5.155 1.00 0.41 C ATOM 1550 C LYS A 597 11.805 0.612 6.266 1.00 0.41 C ATOM 1551 O LYS A 597 11.426 -0.349 6.923 1.00 0.48 O ATOM 1552 CB LYS A 597 14.166 -0.046 5.761 1.00 0.50 C ATOM 1553 CG LYS A 597 15.125 -0.671 4.750 1.00 0.62 C ATOM 1554 CD LYS A 597 15.759 0.362 3.829 1.00 1.29 C ATOM 1555 CE LYS A 597 16.531 -0.302 2.699 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.369 0.671 1.949 1.00 2.18 N ATOM 0 H LYS A 597 13.468 2.380 4.797 1.00 0.38 H new ATOM 0 HA LYS A 597 12.463 -0.359 4.485 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.655 0.807 6.231 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.962 -0.771 6.549 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.910 -1.208 5.283 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.587 -1.406 4.151 1.00 0.62 H new ATOM 0 HD2 LYS A 597 14.984 1.005 3.413 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.430 1.001 4.403 1.00 1.29 H new ATOM 0 HE2 LYS A 597 17.166 -1.088 3.107 1.00 1.67 H new ATOM 0 HE3 LYS A 597 15.831 -0.781 2.014 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.878 0.177 1.188 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.761 1.408 1.537 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.055 1.110 2.596 1.00 2.18 H new ATOM 1570 N GLU A 598 11.346 1.839 6.491 1.00 0.38 N ATOM 1571 CA GLU A 598 10.335 2.069 7.518 1.00 0.41 C ATOM 1572 C GLU A 598 9.355 3.159 7.092 1.00 0.34 C ATOM 1573 O GLU A 598 9.709 4.082 6.358 1.00 0.33 O ATOM 1574 CB GLU A 598 10.998 2.454 8.844 1.00 0.55 C ATOM 1575 CG GLU A 598 10.012 2.674 9.984 1.00 0.62 C ATOM 1576 CD GLU A 598 10.697 3.041 11.282 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.781 2.177 12.178 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.167 4.191 11.410 1.00 0.91 O ATOM 0 H GLU A 598 11.649 2.673 5.989 1.00 0.38 H new ATOM 0 HA GLU A 598 9.779 1.141 7.653 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.700 1.670 9.129 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.579 3.365 8.698 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.315 3.465 9.709 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.424 1.768 10.131 1.00 0.62 H new ATOM 1585 N LEU A 599 8.124 3.033 7.570 1.00 0.36 N ATOM 1586 CA LEU A 599 7.087 4.020 7.310 1.00 0.32 C ATOM 1587 C LEU A 599 6.737 4.785 8.574 1.00 0.33 C ATOM 1588 O LEU A 599 6.449 4.194 9.614 1.00 0.37 O ATOM 1589 CB LEU A 599 5.833 3.357 6.735 1.00 0.33 C ATOM 1590 CG LEU A 599 6.016 2.712 5.361 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.700 2.175 4.835 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.604 3.708 4.379 1.00 0.33 C ATOM 0 H LEU A 599 7.818 2.248 8.145 1.00 0.36 H new ATOM 0 HA LEU A 599 7.477 4.723 6.574 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.490 2.595 7.435 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.044 4.105 6.666 1.00 0.33 H new ATOM 0 HG LEU A 599 6.708 1.877 5.471 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.857 1.721 3.856 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.311 1.425 5.524 1.00 0.45 H new ATOM 0 HD13 LEU A 599 3.984 2.992 4.745 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.727 3.231 3.407 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.934 4.562 4.282 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.574 4.047 4.742 1.00 0.33 H new ATOM 1604 N GLN A 600 6.791 6.103 8.480 1.00 0.36 N ATOM 1605 CA GLN A 600 6.423 6.969 9.588 1.00 0.44 C ATOM 1606 C GLN A 600 5.171 7.767 9.240 1.00 0.39 C ATOM 1607 O GLN A 600 5.047 8.276 8.127 1.00 0.43 O ATOM 1608 CB GLN A 600 7.573 7.924 9.920 1.00 0.59 C ATOM 1609 CG GLN A 600 7.233 8.931 11.008 1.00 0.85 C ATOM 1610 CD GLN A 600 8.336 9.944 11.235 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.517 9.646 11.067 1.00 1.52 O ATOM 1612 NE2 GLN A 600 7.957 11.152 11.611 1.00 1.34 N ATOM 0 H GLN A 600 7.089 6.600 7.641 1.00 0.36 H new ATOM 0 HA GLN A 600 6.217 6.348 10.460 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.439 7.341 10.234 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.861 8.461 9.016 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.315 9.454 10.739 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.036 8.400 11.939 1.00 0.85 H new ATOM 0 HE21 GLN A 600 6.966 11.359 11.739 1.00 1.34 H new ATOM 0 HE22 GLN A 600 8.655 11.878 11.773 1.00 1.34 H new ATOM 1621 N LEU A 601 4.248 7.879 10.184 1.00 0.37 N ATOM 1622 CA LEU A 601 3.041 8.662 9.966 1.00 0.34 C ATOM 1623 C LEU A 601 3.241 10.110 10.395 1.00 0.39 C ATOM 1624 O LEU A 601 3.148 10.444 11.577 1.00 0.46 O ATOM 1625 CB LEU A 601 1.849 8.057 10.710 1.00 0.36 C ATOM 1626 CG LEU A 601 1.381 6.695 10.194 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.169 6.217 10.977 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.057 6.766 8.710 1.00 0.32 C ATOM 0 H LEU A 601 4.311 7.441 11.103 1.00 0.37 H new ATOM 0 HA LEU A 601 2.829 8.642 8.897 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.111 7.958 11.763 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.014 8.755 10.654 1.00 0.36 H new ATOM 0 HG LEU A 601 2.191 5.979 10.336 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.150 5.247 10.597 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.430 6.125 12.031 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.643 6.936 10.865 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.726 5.787 8.363 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.265 7.496 8.545 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.947 7.065 8.157 1.00 0.32 H new ATOM 1640 N LYS A 602 3.530 10.962 9.422 1.00 0.41 N ATOM 1641 CA LYS A 602 3.619 12.398 9.651 1.00 0.48 C ATOM 1642 C LYS A 602 2.217 12.993 9.651 1.00 0.46 C ATOM 1643 O LYS A 602 1.993 14.115 10.104 1.00 0.51 O ATOM 1644 CB LYS A 602 4.460 13.058 8.556 1.00 0.59 C ATOM 1645 CG LYS A 602 5.862 12.485 8.434 1.00 0.69 C ATOM 1646 CD LYS A 602 6.608 13.092 7.257 1.00 0.93 C ATOM 1647 CE LYS A 602 7.947 12.409 7.036 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.653 12.945 5.842 1.00 1.73 N ATOM 0 H LYS A 602 3.708 10.681 8.458 1.00 0.41 H new ATOM 0 HA LYS A 602 4.096 12.579 10.614 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.947 12.948 7.600 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.530 14.127 8.759 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.415 12.674 9.354 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.805 11.403 8.312 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.001 13.005 6.356 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.766 14.156 7.434 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.573 12.543 7.918 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.792 11.337 6.915 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.494 12.365 5.646 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.015 12.919 5.021 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.944 13.927 6.023 1.00 1.73 H new ATOM 1662 N LYS A 603 1.280 12.218 9.127 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.110 12.621 9.044 1.00 0.48 C ATOM 1664 C LYS A 603 -0.980 11.622 9.790 1.00 0.54 C ATOM 1665 O LYS A 603 -0.829 10.413 9.610 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.553 12.696 7.580 1.00 0.58 C ATOM 1667 CG LYS A 603 0.191 13.739 6.761 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.115 15.147 7.240 1.00 0.79 C ATOM 1669 CE LYS A 603 0.679 16.180 6.462 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.388 17.561 6.924 1.00 1.69 N ATOM 0 H LYS A 603 1.466 11.290 8.747 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.218 13.606 9.498 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.413 11.719 7.118 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.620 12.915 7.545 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.264 13.557 6.826 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.085 13.643 5.711 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.181 15.347 7.131 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.118 15.231 8.302 1.00 0.79 H new ATOM 0 HE2 LYS A 603 1.744 15.977 6.571 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.445 16.095 5.401 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.949 18.238 6.369 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.624 17.764 6.797 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 0.635 17.650 7.930 1.00 1.69 H new ATOM 1684 N PRO A 604 -1.885 12.107 10.652 1.00 0.67 N ATOM 1685 CA PRO A 604 -2.818 11.246 11.377 1.00 0.81 C ATOM 1686 C PRO A 604 -3.810 10.574 10.438 1.00 0.80 C ATOM 1687 O PRO A 604 -4.161 11.127 9.391 1.00 1.21 O ATOM 1688 CB PRO A 604 -3.544 12.207 12.321 1.00 1.01 C ATOM 1689 CG PRO A 604 -3.398 13.546 11.686 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.064 13.527 10.993 1.00 0.82 C ATOM 0 HA PRO A 604 -2.308 10.435 11.896 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -4.593 11.934 12.433 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.103 12.191 13.318 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.204 13.733 10.977 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -3.440 14.339 12.432 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.062 14.158 10.104 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -1.267 13.889 11.643 1.00 0.82 H new ATOM 1698 N GLY A 605 -4.279 9.400 10.822 1.00 0.68 N ATOM 1699 CA GLY A 605 -5.160 8.640 9.973 1.00 0.80 C ATOM 1700 C GLY A 605 -6.376 8.161 10.718 1.00 0.84 C ATOM 1701 O GLY A 605 -6.568 8.481 11.891 1.00 1.23 O ATOM 0 H GLY A 605 -4.061 8.958 11.715 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -5.470 9.254 9.128 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -4.623 7.784 9.565 1.00 0.80 H new ATOM 1705 N LYS A 606 -7.193 7.404 10.030 1.00 0.92 N ATOM 1706 CA LYS A 606 -8.389 6.820 10.615 1.00 1.10 C ATOM 1707 C LYS A 606 -8.057 5.442 11.162 1.00 0.81 C ATOM 1708 O LYS A 606 -7.055 4.843 10.761 1.00 0.82 O ATOM 1709 CB LYS A 606 -9.485 6.704 9.555 1.00 1.50 C ATOM 1710 CG LYS A 606 -9.856 8.027 8.904 1.00 1.82 C ATOM 1711 CD LYS A 606 -10.898 7.843 7.811 1.00 2.34 C ATOM 1712 CE LYS A 606 -10.367 6.992 6.666 1.00 2.84 C ATOM 1713 NZ LYS A 606 -11.390 6.792 5.609 1.00 3.47 N ATOM 0 H LYS A 606 -7.054 7.171 9.047 1.00 0.92 H new ATOM 0 HA LYS A 606 -8.745 7.459 11.423 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -9.157 6.009 8.782 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -10.375 6.273 10.013 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -10.240 8.710 9.661 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -8.963 8.488 8.482 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -11.788 7.374 8.231 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -11.202 8.818 7.430 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -9.487 7.470 6.235 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -10.047 6.024 7.051 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -11.354 5.809 5.272 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -12.334 6.990 5.998 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -11.200 7.437 4.816 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.863 4.948 12.093 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.693 3.584 12.582 1.00 0.48 C ATOM 1729 C ASN A 607 -8.850 2.587 11.449 1.00 0.43 C ATOM 1730 O ASN A 607 -9.895 2.517 10.802 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.695 3.252 13.690 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.187 3.610 15.071 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -8.444 4.577 15.248 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -9.572 2.819 16.061 1.00 1.33 N ATOM 0 H ASN A 607 -9.632 5.463 12.521 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.686 3.514 12.994 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -10.627 3.785 13.502 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -9.925 2.187 13.658 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -9.252 3.000 17.012 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -10.188 2.028 15.872 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.809 1.808 11.235 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.775 0.842 10.155 1.00 0.22 C ATOM 1743 C VAL A 608 -8.664 -0.370 10.476 1.00 0.21 C ATOM 1744 O VAL A 608 -9.105 -1.090 9.579 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.313 0.421 9.872 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.238 -0.706 8.860 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.503 1.623 9.387 1.00 0.27 C ATOM 0 H VAL A 608 -6.963 1.827 11.804 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.176 1.303 9.253 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.887 0.054 10.806 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.195 -0.972 8.689 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.776 -1.574 9.241 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.689 -0.383 7.922 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.476 1.315 9.191 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.945 2.014 8.471 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.509 2.399 10.153 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.956 -0.568 11.759 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.869 -1.630 12.185 1.00 0.33 C ATOM 1759 C ALA A 609 -11.263 -1.429 11.581 1.00 0.32 C ATOM 1760 O ALA A 609 -11.938 -2.392 11.181 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.949 -1.672 13.703 1.00 0.44 C ATOM 0 H ALA A 609 -8.575 -0.009 12.522 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.480 -2.583 11.825 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.631 -2.465 14.010 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.958 -1.866 14.114 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.315 -0.715 14.075 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.685 -0.172 11.502 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.963 0.171 10.895 1.00 0.35 C ATOM 1769 C ALA A 610 -12.967 -0.204 9.421 1.00 0.30 C ATOM 1770 O ALA A 610 -14.006 -0.533 8.853 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.251 1.654 11.065 1.00 0.40 C ATOM 0 H ALA A 610 -11.158 0.628 11.852 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.748 -0.393 11.399 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.210 1.893 10.606 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.286 1.898 12.127 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.464 2.235 10.585 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.789 -0.179 8.814 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.645 -0.519 7.408 1.00 0.23 C ATOM 1779 C ILE A 611 -11.845 -2.024 7.216 1.00 0.22 C ATOM 1780 O ILE A 611 -12.320 -2.471 6.173 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.266 -0.076 6.862 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.113 1.436 7.029 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.118 -0.456 5.393 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.762 1.962 6.603 1.00 0.23 C ATOM 0 H ILE A 611 -10.916 0.075 9.277 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.408 0.016 6.843 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.485 -0.586 7.426 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.887 1.937 6.448 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.281 1.696 8.074 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.141 -0.135 5.031 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.207 -1.537 5.286 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.899 0.032 4.810 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.729 3.041 6.751 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.983 1.490 7.201 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.599 1.735 5.550 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.493 -2.807 8.239 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.780 -4.241 8.236 1.00 0.24 C ATOM 1798 C ILE A 612 -13.286 -4.466 8.166 1.00 0.27 C ATOM 1799 O ILE A 612 -13.768 -5.310 7.405 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.239 -4.952 9.498 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.743 -4.686 9.678 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.498 -6.450 9.406 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.173 -5.238 10.968 1.00 0.31 C ATOM 0 H ILE A 612 -11.012 -2.474 9.074 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.281 -4.663 7.364 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.763 -4.552 10.366 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.203 -5.122 8.838 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.569 -3.611 9.646 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.113 -6.941 10.300 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.570 -6.630 9.326 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -10.996 -6.853 8.526 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.109 -5.009 11.023 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.686 -4.784 11.816 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.314 -6.319 10.995 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.026 -3.686 8.950 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.487 -3.758 8.935 1.00 0.35 C ATOM 1817 C GLN A 613 -16.004 -3.365 7.556 1.00 0.34 C ATOM 1818 O GLN A 613 -16.993 -3.905 7.062 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.086 -2.817 9.980 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.560 -3.035 11.386 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.199 -2.106 12.399 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.651 -0.946 11.948 1.00 1.97 O flip ATOM 1823 NE2 GLN A 613 -16.294 -2.430 13.582 1.00 2.31 N flip ATOM 0 H GLN A 613 -13.642 -3.000 9.600 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.784 -4.781 9.169 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.884 -1.788 9.684 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.169 -2.941 9.986 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.741 -4.068 11.681 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.480 -2.886 11.393 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -15.934 -3.332 13.894 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.732 -1.797 14.251 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.288 -2.434 6.942 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.647 -1.903 5.633 1.00 0.33 C ATOM 1834 C ASP A 614 -15.544 -2.983 4.559 1.00 0.30 C ATOM 1835 O ASP A 614 -16.449 -3.139 3.739 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.744 -0.724 5.273 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.012 -0.191 3.883 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.338 -0.641 2.930 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.903 0.667 3.734 1.00 1.09 O ATOM 0 H ASP A 614 -14.441 -2.025 7.337 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.681 -1.560 5.680 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.889 0.076 5.999 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.701 -1.034 5.345 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.448 -3.737 4.583 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.230 -4.812 3.624 1.00 0.27 C ATOM 1846 C ILE A 615 -15.342 -5.846 3.714 1.00 0.32 C ATOM 1847 O ILE A 615 -15.905 -6.257 2.699 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.883 -5.508 3.875 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.750 -4.500 3.739 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.688 -6.662 2.899 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.420 -5.025 4.201 1.00 0.18 C ATOM 0 H ILE A 615 -13.695 -3.621 5.261 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.225 -4.366 2.629 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.878 -5.913 4.887 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.669 -4.196 2.695 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.998 -3.607 4.313 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.729 -7.143 3.091 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.491 -7.388 3.029 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.705 -6.282 1.878 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.661 -4.253 4.075 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.484 -5.303 5.253 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.149 -5.900 3.611 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.656 -6.251 4.937 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.712 -7.229 5.173 1.00 0.46 C ATOM 1865 C HIS A 616 -18.079 -6.678 4.775 1.00 0.44 C ATOM 1866 O HIS A 616 -18.952 -7.429 4.339 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.728 -7.669 6.639 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.600 -8.585 6.999 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -14.310 -8.322 7.308 1.00 1.26 N flip ATOM 1870 CD2 HIS A 616 -15.736 -9.953 7.070 1.00 0.76 C flip ATOM 1871 CE1 HIS A 616 -13.700 -9.524 7.557 1.00 1.24 C flip ATOM 1872 NE2 HIS A 616 -14.580 -10.491 7.409 1.00 0.82 N flip ATOM 0 H HIS A 616 -15.194 -5.917 5.783 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.500 -8.097 4.549 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.686 -6.785 7.276 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.673 -8.169 6.850 1.00 0.59 H new ATOM 0 HD1 HIS A 616 -13.873 -7.401 7.348 1.00 1.26 H new ATOM 0 HD2 HIS A 616 -16.647 -10.501 6.878 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -12.664 -9.656 7.831 1.00 1.24 H new ATOM 1881 N SER A 617 -18.261 -5.370 4.922 1.00 0.45 N ATOM 1882 CA SER A 617 -19.505 -4.733 4.528 1.00 0.51 C ATOM 1883 C SER A 617 -19.629 -4.702 3.007 1.00 0.49 C ATOM 1884 O SER A 617 -20.725 -4.863 2.464 1.00 0.57 O ATOM 1885 CB SER A 617 -19.594 -3.313 5.097 1.00 0.58 C ATOM 1886 OG SER A 617 -19.529 -3.323 6.515 1.00 1.18 O ATOM 0 H SER A 617 -17.563 -4.735 5.310 1.00 0.45 H new ATOM 0 HA SER A 617 -20.330 -5.318 4.935 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.781 -2.707 4.697 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.526 -2.848 4.776 1.00 0.58 H new ATOM 0 HG SER A 617 -18.619 -3.550 6.799 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.489 -4.500 2.334 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.398 -4.495 0.866 1.00 0.58 C ATOM 1894 C GLN A 618 -19.022 -3.239 0.260 1.00 1.36 C ATOM 1895 O GLN A 618 -18.468 -2.640 -0.663 1.00 2.14 O ATOM 1896 CB GLN A 618 -19.048 -5.743 0.262 1.00 1.70 C ATOM 1897 CG GLN A 618 -18.382 -7.045 0.675 1.00 2.78 C ATOM 1898 CD GLN A 618 -19.072 -8.261 0.089 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -19.653 -8.198 -0.995 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -19.007 -9.376 0.793 1.00 4.68 N ATOM 0 H GLN A 618 -17.595 -4.334 2.796 1.00 0.49 H new ATOM 0 HA GLN A 618 -17.336 -4.499 0.620 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -20.097 -5.773 0.557 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -19.025 -5.663 -0.825 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.340 -7.034 0.356 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -18.382 -7.120 1.762 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -18.516 -9.387 1.687 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -19.448 -10.227 0.443 1.00 4.68 H new ATOM 1909 N ARG A 619 -20.177 -2.855 0.773 1.00 2.22 N ATOM 1910 CA ARG A 619 -20.868 -1.671 0.299 1.00 3.46 C ATOM 1911 C ARG A 619 -20.292 -0.424 0.949 1.00 4.18 C ATOM 1912 O ARG A 619 -20.187 -0.349 2.173 1.00 4.57 O ATOM 1913 CB ARG A 619 -22.365 -1.765 0.598 1.00 4.18 C ATOM 1914 CG ARG A 619 -23.051 -2.951 -0.059 1.00 4.41 C ATOM 1915 CD ARG A 619 -22.817 -2.974 -1.560 1.00 5.33 C ATOM 1916 NE ARG A 619 -23.187 -1.711 -2.198 1.00 6.03 N ATOM 1917 CZ ARG A 619 -22.949 -1.428 -3.477 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -22.371 -2.332 -4.262 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -23.295 -0.245 -3.971 1.00 7.77 N ATOM 0 H ARG A 619 -20.658 -3.351 1.523 1.00 2.22 H new ATOM 0 HA ARG A 619 -20.728 -1.606 -0.780 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -22.507 -1.828 1.677 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -22.850 -0.847 0.266 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -22.680 -3.876 0.382 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -24.122 -2.910 0.142 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -21.766 -3.185 -1.759 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -23.394 -3.785 -2.003 1.00 5.33 H new ATOM 0 HE ARG A 619 -23.655 -1.005 -1.629 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -22.110 -3.243 -3.884 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -22.189 -2.115 -5.242 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -23.743 0.447 -3.371 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -23.113 -0.028 -4.951 1.00 7.77 H new ATOM 1933 N GLU A 620 -19.907 0.543 0.129 1.00 4.80 N ATOM 1934 CA GLU A 620 -19.423 1.819 0.634 1.00 5.84 C ATOM 1935 C GLU A 620 -20.574 2.608 1.250 1.00 6.68 C ATOM 1936 O GLU A 620 -21.453 3.108 0.546 1.00 7.20 O ATOM 1937 CB GLU A 620 -18.741 2.629 -0.477 1.00 6.43 C ATOM 1938 CG GLU A 620 -19.546 2.728 -1.766 1.00 6.93 C ATOM 1939 CD GLU A 620 -18.978 3.747 -2.728 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -19.616 4.800 -2.942 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -17.892 3.497 -3.288 1.00 7.86 O ATOM 0 H GLU A 620 -19.920 0.468 -0.888 1.00 4.80 H new ATOM 0 HA GLU A 620 -18.679 1.624 1.406 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -18.544 3.635 -0.108 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -17.775 2.176 -0.700 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -19.572 1.752 -2.250 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -20.576 2.993 -1.528 1.00 6.93 H new ATOM 1948 N ARG A 621 -20.585 2.689 2.568 1.00 7.11 N ATOM 1949 CA ARG A 621 -21.655 3.367 3.276 1.00 8.13 C ATOM 1950 C ARG A 621 -21.147 4.665 3.882 1.00 9.01 C ATOM 1951 O ARG A 621 -21.319 5.725 3.244 1.00 9.48 O ATOM 1952 CB ARG A 621 -22.234 2.460 4.365 1.00 8.49 C ATOM 1953 CG ARG A 621 -22.771 1.137 3.840 1.00 8.97 C ATOM 1954 CD ARG A 621 -23.835 1.346 2.774 1.00 9.41 C ATOM 1955 NE ARG A 621 -24.970 2.121 3.273 1.00 9.86 N ATOM 1956 CZ ARG A 621 -26.110 2.283 2.608 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -26.269 1.737 1.407 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -27.092 2.995 3.144 1.00 11.00 N ATOM 1959 OXT ARG A 621 -20.566 4.622 4.984 1.00 9.43 O ATOM 0 H ARG A 621 -19.864 2.293 3.171 1.00 7.11 H new ATOM 0 HA ARG A 621 -22.447 3.602 2.565 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -21.461 2.259 5.107 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -23.037 2.990 4.877 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -21.951 0.550 3.426 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -23.190 0.561 4.665 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -23.395 1.859 1.919 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -24.186 0.377 2.419 1.00 9.41 H new ATOM 0 HE ARG A 621 -24.882 2.565 4.187 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -25.515 1.191 0.991 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -27.145 1.864 0.901 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -26.972 3.417 4.065 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -27.967 3.120 2.636 1.00 11.00 H new TER 1973 ARG A 621