USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=41 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 603 LYS NZ :NH3+ 180:sc= 0.675 (180deg=-0.146) USER MOD Set 1.2: B 5 U O2' : rot 120:sc= 0.728 USER MOD Set 2.1: A 602 LYS NZ :NH3+ 179:sc= 1.28 (180deg=0) USER MOD Set 2.2: B 4 U O2' : rot 16:sc= 1.24 USER MOD Set 3.1: A 531 SER OG : rot -76:sc= 0.821 USER MOD Set 3.2: A 584 ASN : amide:sc= 1.01 X(o=1.8,f=1.8) USER MOD Set 4.1: A 535 ASN :FLIP amide:sc= -0.0134 F(o=-3.1,f=-1.9) USER MOD Set 4.2: A 539 ASN :FLIP amide:sc= -1.85 F(o=-3.1,f=-1.9) USER MOD Set 5.1: A 523 HIS :FLIP no HD1:sc= -2.28 F(o=-6!,f=-5) USER MOD Set 5.2: A 525 CYS SG : rot -152:sc= -2.49! USER MOD Set 5.3: A 526 ASN : amide:sc= 0.383 K(o=-5,f=-8.2!) USER MOD Set 5.4: A 558 GLN : amide:sc= -1.13 K(o=-5,f=-6.9) USER MOD Set 5.5: B 2 U O2' : rot 144:sc= 0.557 USER MOD Single : A 512 MET CE :methyl -158:sc= -0.132 (180deg=-0.726) USER MOD Single : A 514 GLN :FLIP amide:sc= -3.25! C(o=-4.2!,f=-3.3!) USER MOD Single : A 516 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.27) USER MOD Single : A 532 CYS SG : rot 15:sc= -0.735 USER MOD Single : A 533 THR OG1 : rot -105:sc= 1.96 USER MOD Single : A 546 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0542) USER MOD Single : A 548 THR OG1 : rot 119:sc= 1.27 USER MOD Single : A 549 ASN : amide:sc= -0.929 K(o=-0.93,f=-3.4!) USER MOD Single : A 550 TYR OH : rot 152:sc= 0.669 USER MOD Single : A 553 MET CE :methyl -127:sc= -1.55 (180deg=-2.41!) USER MOD Single : A 554 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.622) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= -0.0554 USER MOD Single : A 557 ASN : amide:sc= 0.182 K(o=0.18,f=-1.5) USER MOD Single : A 563 MET CE :methyl -175:sc= -5.27! (180deg=-5.59!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.56) USER MOD Single : A 572 MET CE :methyl 168:sc= -3.74! (180deg=-4.35!) USER MOD Single : A 574 GLN : amide:sc=-0.00162 K(o=-0.0016,f=-0.96) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 577 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.15) USER MOD Single : A 579 LYS NZ :NH3+ 164:sc= -0.0401 (180deg=-0.352) USER MOD Single : A 587 LYS NZ :NH3+ -171:sc= -0.0122 (180deg=-0.117) USER MOD Single : A 592 MET CE :methyl -125:sc= 0 (180deg=-0.654) USER MOD Single : A 593 SER OG : rot 90:sc= 1.81 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0264 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) USER MOD Single : A 606 LYS NZ :NH3+ -158:sc= 1.15 (180deg=1.01) USER MOD Single : A 607 ASN : amide:sc= -0.387 K(o=-0.39,f=-6.7!) USER MOD Single : A 613 GLN : amide:sc= -1.64! C(o=-1.6!,f=-6.9!) USER MOD Single : A 616 HIS :FLIP no HE2:sc= 0.25 F(o=-0.89,f=0.25) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD Single : A 618 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 1 ADN O2' : rot 8:sc= 0.628 USER MOD Single : B 1 ADN O5' : rot 19:sc= 1.25 USER MOD Single : B 3 C O2' : rot -129:sc= -0.253 USER MOD Single : B 6 A O2' : rot 160:sc= 0.067 USER MOD Single : B 6 A O3' : rot 146:sc= 0.147 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 11.296 -2.170 -11.368 1.00 3.64 O HETATM 2 C5' ADN B 1 11.918 -0.910 -11.093 1.00 3.04 C HETATM 3 C4' ADN B 1 11.799 0.035 -12.268 1.00 2.61 C HETATM 4 O4' ADN B 1 10.886 -0.541 -13.242 1.00 3.25 O HETATM 5 C3' ADN B 1 11.227 1.410 -11.945 1.00 2.05 C HETATM 6 O3' ADN B 1 11.786 2.410 -12.792 1.00 2.33 O HETATM 7 C2' ADN B 1 9.731 1.233 -12.188 1.00 2.68 C HETATM 8 O2' ADN B 1 9.105 2.442 -12.563 1.00 3.28 O HETATM 9 C1' ADN B 1 9.745 0.283 -13.384 1.00 3.33 C HETATM 10 N9 ADN B 1 8.562 -0.572 -13.466 1.00 4.21 N HETATM 11 C8 ADN B 1 8.447 -1.879 -13.070 1.00 4.58 C HETATM 12 N7 ADN B 1 7.255 -2.389 -13.263 1.00 5.53 N HETATM 13 C5 ADN B 1 6.536 -1.344 -13.826 1.00 5.90 C HETATM 14 C6 ADN B 1 5.205 -1.242 -14.266 1.00 7.05 C HETATM 15 N6 ADN B 1 4.327 -2.245 -14.203 1.00 7.92 N HETATM 16 N1 ADN B 1 4.803 -0.060 -14.779 1.00 7.44 N HETATM 17 C2 ADN B 1 5.686 0.946 -14.844 1.00 6.72 C HETATM 18 N3 ADN B 1 6.962 0.971 -14.465 1.00 5.56 N HETATM 19 C4 ADN B 1 7.329 -0.219 -13.959 1.00 5.16 C HETATM 0 HO5' ADN B 1 11.194 -2.280 -12.336 1.00 3.64 H new HETATM 0 HO2' ADN B 1 9.786 3.130 -12.715 1.00 3.28 H new HETATM 0 HN62 ADN B 1 3.373 -2.110 -14.539 1.00 7.92 H new HETATM 0 HN61 ADN B 1 4.610 -3.147 -13.819 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 11.457 -0.459 -10.214 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 12.970 -1.067 -10.856 1.00 3.04 H new HETATM 0 H8 ADN B 1 9.272 -2.443 -12.634 1.00 4.58 H new HETATM 0 H4' ADN B 1 12.822 0.166 -12.621 1.00 2.61 H new HETATM 0 H3' ADN B 1 11.450 1.742 -10.931 1.00 2.05 H new HETATM 0 H2' ADN B 1 9.190 0.886 -11.307 1.00 2.68 H new HETATM 0 H2 ADN B 1 5.306 1.876 -15.267 1.00 6.72 H new HETATM 0 H1' ADN B 1 9.758 0.883 -14.294 1.00 3.33 H new ATOM 32 P U B 2 12.081 3.877 -12.206 1.00 2.37 P ATOM 33 OP1 U B 2 12.567 4.732 -13.316 1.00 2.99 O ATOM 34 OP2 U B 2 12.914 3.711 -10.988 1.00 2.93 O ATOM 35 O5' U B 2 10.643 4.401 -11.764 1.00 2.04 O ATOM 36 C5' U B 2 10.254 4.409 -10.395 1.00 1.73 C ATOM 37 C4' U B 2 9.069 5.322 -10.200 1.00 1.24 C ATOM 38 O4' U B 2 7.990 4.885 -11.075 1.00 1.07 O ATOM 39 C3' U B 2 8.482 5.318 -8.792 1.00 0.95 C ATOM 40 O3' U B 2 8.016 6.611 -8.420 1.00 0.97 O ATOM 41 C2' U B 2 7.338 4.319 -8.900 1.00 0.83 C ATOM 42 O2' U B 2 6.321 4.570 -7.955 1.00 1.12 O ATOM 43 C1' U B 2 6.834 4.660 -10.298 1.00 0.74 C ATOM 44 N1 U B 2 6.022 3.605 -10.922 1.00 0.76 N ATOM 45 C2 U B 2 4.876 3.994 -11.592 1.00 1.11 C ATOM 46 O2 U B 2 4.550 5.161 -11.727 1.00 1.49 O ATOM 47 N3 U B 2 4.124 2.966 -12.103 1.00 1.23 N ATOM 48 C4 U B 2 4.394 1.618 -12.012 1.00 1.12 C ATOM 49 O4 U B 2 3.600 0.808 -12.492 1.00 1.35 O ATOM 50 C5 U B 2 5.599 1.299 -11.311 1.00 1.05 C ATOM 51 C6 U B 2 6.357 2.274 -10.801 1.00 0.89 C ATOM 0 H5' U B 2 11.086 4.742 -9.774 1.00 1.73 H new ATOM 0 H5'' U B 2 10.001 3.398 -10.074 1.00 1.73 H new ATOM 0 H4' U B 2 9.444 6.323 -10.413 1.00 1.24 H new ATOM 0 H3' U B 2 9.209 5.051 -8.025 1.00 0.95 H new ATOM 0 H2' U B 2 7.632 3.284 -8.728 1.00 0.83 H new ATOM 0 HO2' U B 2 5.448 4.368 -8.352 1.00 1.12 H new ATOM 0 H1' U B 2 6.173 5.524 -10.234 1.00 0.74 H new ATOM 0 H3 U B 2 3.275 3.228 -12.604 1.00 1.23 H new ATOM 0 H5 U B 2 5.897 0.268 -11.194 1.00 1.05 H new ATOM 0 H6 U B 2 7.263 2.010 -10.276 1.00 0.89 H new ATOM 62 P C B 3 9.024 7.658 -7.733 1.00 1.05 P ATOM 63 OP1 C B 3 8.596 9.021 -8.144 1.00 1.58 O ATOM 64 OP2 C B 3 10.418 7.216 -8.000 1.00 1.17 O ATOM 65 O5' C B 3 8.744 7.498 -6.174 1.00 1.07 O ATOM 66 C5' C B 3 7.925 8.434 -5.474 1.00 0.98 C ATOM 67 C4' C B 3 7.537 7.888 -4.120 1.00 0.86 C ATOM 68 O4' C B 3 7.441 6.437 -4.201 1.00 0.90 O ATOM 69 C3' C B 3 8.530 8.166 -2.997 1.00 0.69 C ATOM 70 O3' C B 3 7.858 8.339 -1.753 1.00 0.87 O ATOM 71 C2' C B 3 9.412 6.922 -3.004 1.00 0.63 C ATOM 72 O2' C B 3 9.980 6.658 -1.738 1.00 0.82 O ATOM 73 C1' C B 3 8.377 5.848 -3.322 1.00 0.75 C ATOM 74 N1 C B 3 8.954 4.653 -3.960 1.00 0.69 N ATOM 75 C2 C B 3 9.231 3.533 -3.170 1.00 0.96 C ATOM 76 O2 C B 3 8.958 3.563 -1.961 1.00 1.32 O ATOM 77 N3 C B 3 9.785 2.439 -3.744 1.00 0.95 N ATOM 78 C4 C B 3 10.059 2.439 -5.050 1.00 0.70 C ATOM 79 N4 C B 3 10.617 1.346 -5.572 1.00 0.76 N ATOM 80 C5 C B 3 9.784 3.566 -5.878 1.00 0.69 C ATOM 81 C6 C B 3 9.237 4.640 -5.296 1.00 0.67 C ATOM 0 H5' C B 3 7.029 8.649 -6.056 1.00 0.98 H new ATOM 0 H5'' C B 3 8.460 9.376 -5.353 1.00 0.98 H new ATOM 0 H4' C B 3 6.600 8.391 -3.880 1.00 0.86 H new ATOM 0 H3' C B 3 9.101 9.084 -3.135 1.00 0.69 H new ATOM 0 H2' C B 3 10.257 6.997 -3.688 1.00 0.63 H new ATOM 0 HO2' C B 3 10.948 6.536 -1.833 1.00 0.82 H new ATOM 0 H1' C B 3 7.928 5.507 -2.389 1.00 0.75 H new ATOM 0 H41 C B 3 10.839 1.312 -6.567 1.00 0.76 H new ATOM 0 H42 C B 3 10.821 0.544 -4.976 1.00 0.76 H new ATOM 0 H5 C B 3 10.008 3.554 -6.934 1.00 0.69 H new ATOM 0 H6 C B 3 9.015 5.512 -5.894 1.00 0.67 H new ATOM 93 P U B 4 8.568 9.141 -0.552 1.00 0.75 P ATOM 94 OP1 U B 4 9.440 10.179 -1.164 1.00 1.02 O ATOM 95 OP2 U B 4 9.152 8.148 0.382 1.00 1.15 O ATOM 96 O5' U B 4 7.371 9.879 0.194 1.00 0.71 O ATOM 97 C5' U B 4 6.794 11.074 -0.330 1.00 0.76 C ATOM 98 C4' U B 4 5.564 11.449 0.467 1.00 0.65 C ATOM 99 O4' U B 4 5.271 10.379 1.407 1.00 0.61 O ATOM 100 C3' U B 4 5.698 12.702 1.323 1.00 0.67 C ATOM 101 O3' U B 4 4.435 13.338 1.490 1.00 0.79 O ATOM 102 C2' U B 4 6.213 12.154 2.648 1.00 0.63 C ATOM 103 O2' U B 4 5.867 12.991 3.733 1.00 0.77 O ATOM 104 C1' U B 4 5.419 10.852 2.731 1.00 0.58 C ATOM 105 N1 U B 4 6.071 9.813 3.540 1.00 0.58 N ATOM 106 C2 U B 4 5.850 9.830 4.905 1.00 0.66 C ATOM 107 O2 U B 4 5.146 10.660 5.453 1.00 0.71 O ATOM 108 N3 U B 4 6.478 8.833 5.607 1.00 0.75 N ATOM 109 C4 U B 4 7.286 7.841 5.096 1.00 0.79 C ATOM 110 O4 U B 4 7.767 7.003 5.861 1.00 0.93 O ATOM 111 C5 U B 4 7.467 7.892 3.679 1.00 0.72 C ATOM 112 C6 U B 4 6.870 8.852 2.963 1.00 0.62 C ATOM 0 H5' U B 4 6.529 10.930 -1.377 1.00 0.76 H new ATOM 0 H5'' U B 4 7.522 11.885 -0.294 1.00 0.76 H new ATOM 0 H4' U B 4 4.794 11.627 -0.284 1.00 0.65 H new ATOM 0 H3' U B 4 6.352 13.457 0.887 1.00 0.67 H new ATOM 0 H2' U B 4 7.298 12.056 2.695 1.00 0.63 H new ATOM 0 HO2' U B 4 5.165 13.615 3.454 1.00 0.77 H new ATOM 0 H1' U B 4 4.467 11.062 3.219 1.00 0.58 H new ATOM 0 H3 U B 4 6.331 8.825 6.616 1.00 0.75 H new ATOM 0 H5 U B 4 8.085 7.156 3.186 1.00 0.72 H new ATOM 0 H6 U B 4 7.020 8.874 1.894 1.00 0.62 H new ATOM 123 P U B 5 4.118 14.725 0.744 1.00 0.85 P ATOM 124 OP1 U B 5 4.855 14.728 -0.546 1.00 1.03 O ATOM 125 OP2 U B 5 4.325 15.828 1.715 1.00 1.33 O ATOM 126 O5' U B 5 2.561 14.635 0.427 1.00 0.85 O ATOM 127 C5' U B 5 2.072 13.772 -0.595 1.00 0.75 C ATOM 128 C4' U B 5 0.760 13.158 -0.172 1.00 0.55 C ATOM 129 O4' U B 5 1.014 12.162 0.860 1.00 0.43 O ATOM 130 C3' U B 5 -0.257 14.123 0.434 1.00 0.55 C ATOM 131 O3' U B 5 -1.579 13.764 0.048 1.00 0.57 O ATOM 132 C2' U B 5 -0.048 13.952 1.935 1.00 0.48 C ATOM 133 O2' U B 5 -1.210 14.256 2.682 1.00 0.53 O ATOM 134 C1' U B 5 0.205 12.450 1.980 1.00 0.37 C ATOM 135 N1 U B 5 0.859 11.967 3.205 1.00 0.37 N ATOM 136 C2 U B 5 0.163 11.048 3.969 1.00 0.37 C ATOM 137 O2 U B 5 -0.942 10.630 3.660 1.00 0.40 O ATOM 138 N3 U B 5 0.808 10.626 5.103 1.00 0.43 N ATOM 139 C4 U B 5 2.053 11.020 5.540 1.00 0.48 C ATOM 140 O4 U B 5 2.500 10.548 6.585 1.00 0.56 O ATOM 141 C5 U B 5 2.709 11.971 4.695 1.00 0.49 C ATOM 142 C6 U B 5 2.108 12.405 3.581 1.00 0.44 C ATOM 0 H5' U B 5 2.801 12.987 -0.799 1.00 0.75 H new ATOM 0 H5'' U B 5 1.939 14.331 -1.521 1.00 0.75 H new ATOM 0 H4' U B 5 0.337 12.761 -1.095 1.00 0.55 H new ATOM 0 H3' U B 5 -0.127 15.154 0.107 1.00 0.55 H new ATOM 0 H2' U B 5 0.727 14.596 2.352 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.488 13.466 3.190 1.00 0.53 H new ATOM 0 H1' U B 5 -0.757 11.938 1.969 1.00 0.37 H new ATOM 0 H3 U B 5 0.314 9.949 5.684 1.00 0.43 H new ATOM 0 H5 U B 5 3.690 12.339 4.957 1.00 0.49 H new ATOM 0 H6 U B 5 2.620 13.122 2.957 1.00 0.44 H new ATOM 153 P A B 6 -2.707 14.892 -0.150 1.00 0.96 P ATOM 154 OP1 A B 6 -2.259 16.138 0.522 1.00 1.91 O ATOM 155 OP2 A B 6 -4.008 14.279 0.223 1.00 1.79 O ATOM 156 O5' A B 6 -2.717 15.141 -1.724 1.00 1.70 O ATOM 157 C5' A B 6 -3.803 15.815 -2.355 1.00 2.27 C ATOM 158 C4' A B 6 -3.660 17.310 -2.181 1.00 2.74 C ATOM 159 O4' A B 6 -2.252 17.628 -2.003 1.00 2.62 O ATOM 160 C3' A B 6 -4.120 18.148 -3.370 1.00 3.36 C ATOM 161 O3' A B 6 -4.697 19.387 -2.950 1.00 4.05 O ATOM 162 C2' A B 6 -2.833 18.370 -4.154 1.00 3.45 C ATOM 163 O2' A B 6 -2.870 19.559 -4.918 1.00 4.23 O ATOM 164 C1' A B 6 -1.841 18.534 -3.006 1.00 3.13 C ATOM 165 N9 A B 6 -0.453 18.245 -3.371 1.00 3.07 N ATOM 166 C8 A B 6 0.126 18.349 -4.612 1.00 3.68 C ATOM 167 N7 A B 6 1.402 18.050 -4.626 1.00 3.79 N ATOM 168 C5 A B 6 1.683 17.726 -3.306 1.00 3.15 C ATOM 169 C6 A B 6 2.867 17.320 -2.665 1.00 3.12 C ATOM 170 N6 A B 6 4.034 17.164 -3.295 1.00 3.76 N ATOM 171 N1 A B 6 2.810 17.074 -1.338 1.00 2.64 N ATOM 172 C2 A B 6 1.637 17.228 -0.709 1.00 2.25 C ATOM 173 N3 A B 6 0.459 17.603 -1.202 1.00 2.28 N ATOM 174 C4 A B 6 0.550 17.841 -2.522 1.00 2.69 C ATOM 0 H5' A B 6 -4.747 15.480 -1.926 1.00 2.27 H new ATOM 0 H5'' A B 6 -3.829 15.566 -3.416 1.00 2.27 H new ATOM 0 H4' A B 6 -4.292 17.554 -1.327 1.00 2.74 H new ATOM 0 H3' A B 6 -4.900 17.662 -3.956 1.00 3.36 H new ATOM 0 H2' A B 6 -2.615 17.578 -4.871 1.00 3.45 H new ATOM 0 HO2' A B 6 -1.956 19.833 -5.142 1.00 4.23 H new ATOM 0 HO3' A B 6 -4.488 20.084 -3.606 1.00 4.05 H new ATOM 0 H1' A B 6 -1.849 19.576 -2.685 1.00 3.13 H new ATOM 0 H8 A B 6 -0.419 18.649 -5.494 1.00 3.68 H new ATOM 0 H61 A B 6 4.859 16.867 -2.774 1.00 3.76 H new ATOM 0 H62 A B 6 4.100 17.342 -4.297 1.00 3.76 H new ATOM 0 H2 A B 6 1.649 17.018 0.350 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 22.817 -3.227 -0.872 1.00 8.88 N ATOM 189 CA GLY A 510 22.480 -2.562 -2.153 1.00 8.14 C ATOM 190 C GLY A 510 20.993 -2.590 -2.427 1.00 7.17 C ATOM 191 O GLY A 510 20.201 -2.872 -1.527 1.00 7.17 O ATOM 0 HA2 GLY A 510 22.825 -1.528 -2.128 1.00 8.14 H new ATOM 0 HA3 GLY A 510 23.009 -3.055 -2.969 1.00 8.14 H new ATOM 197 N ALA A 511 20.609 -2.307 -3.666 1.00 6.63 N ATOM 198 CA ALA A 511 19.203 -2.293 -4.050 1.00 5.95 C ATOM 199 C ALA A 511 18.715 -3.706 -4.361 1.00 5.06 C ATOM 200 O ALA A 511 18.236 -3.993 -5.462 1.00 5.04 O ATOM 201 CB ALA A 511 18.990 -1.372 -5.244 1.00 6.64 C ATOM 0 H ALA A 511 21.254 -2.083 -4.424 1.00 6.63 H new ATOM 0 HA ALA A 511 18.619 -1.911 -3.213 1.00 5.95 H new ATOM 0 HB1 ALA A 511 17.935 -1.372 -5.520 1.00 6.64 H new ATOM 0 HB2 ALA A 511 19.297 -0.360 -4.982 1.00 6.64 H new ATOM 0 HB3 ALA A 511 19.585 -1.725 -6.086 1.00 6.64 H new ATOM 207 N MET A 512 18.852 -4.581 -3.379 1.00 4.71 N ATOM 208 CA MET A 512 18.447 -5.973 -3.497 1.00 4.26 C ATOM 209 C MET A 512 18.474 -6.613 -2.119 1.00 3.49 C ATOM 210 O MET A 512 19.346 -6.288 -1.309 1.00 3.57 O ATOM 211 CB MET A 512 19.371 -6.725 -4.463 1.00 4.93 C ATOM 212 CG MET A 512 19.051 -8.207 -4.594 1.00 5.06 C ATOM 213 SD MET A 512 20.010 -9.016 -5.891 1.00 5.85 S ATOM 214 CE MET A 512 19.348 -8.207 -7.345 1.00 6.33 C ATOM 0 H MET A 512 19.250 -4.344 -2.470 1.00 4.71 H new ATOM 0 HA MET A 512 17.436 -6.024 -3.900 1.00 4.26 H new ATOM 0 HB2 MET A 512 19.307 -6.261 -5.447 1.00 4.93 H new ATOM 0 HB3 MET A 512 20.401 -6.614 -4.125 1.00 4.93 H new ATOM 0 HG2 MET A 512 19.245 -8.702 -3.642 1.00 5.06 H new ATOM 0 HG3 MET A 512 17.988 -8.328 -4.805 1.00 5.06 H new ATOM 0 HE1 MET A 512 19.525 -8.831 -8.221 1.00 6.33 H new ATOM 0 HE2 MET A 512 18.276 -8.053 -7.220 1.00 6.33 H new ATOM 0 HE3 MET A 512 19.839 -7.244 -7.481 1.00 6.33 H new ATOM 224 N ALA A 513 17.514 -7.498 -1.851 1.00 3.37 N ATOM 225 CA ALA A 513 17.388 -8.130 -0.540 1.00 3.26 C ATOM 226 C ALA A 513 17.270 -7.065 0.544 1.00 2.63 C ATOM 227 O ALA A 513 18.086 -6.997 1.465 1.00 3.17 O ATOM 228 CB ALA A 513 18.567 -9.058 -0.270 1.00 4.20 C ATOM 0 H ALA A 513 16.810 -7.794 -2.528 1.00 3.37 H new ATOM 0 HA ALA A 513 16.482 -8.736 -0.529 1.00 3.26 H new ATOM 0 HB1 ALA A 513 18.451 -9.517 0.712 1.00 4.20 H new ATOM 0 HB2 ALA A 513 18.600 -9.836 -1.033 1.00 4.20 H new ATOM 0 HB3 ALA A 513 19.494 -8.485 -0.296 1.00 4.20 H new ATOM 234 N GLN A 514 16.256 -6.220 0.403 1.00 1.97 N ATOM 235 CA GLN A 514 16.048 -5.104 1.313 1.00 1.53 C ATOM 236 C GLN A 514 15.731 -5.599 2.715 1.00 1.41 C ATOM 237 O GLN A 514 14.904 -6.493 2.893 1.00 1.94 O ATOM 238 CB GLN A 514 14.908 -4.204 0.828 1.00 1.48 C ATOM 239 CG GLN A 514 15.147 -3.535 -0.523 1.00 1.76 C ATOM 240 CD GLN A 514 15.063 -4.476 -1.719 1.00 2.06 C ATOM 241 OE1 GLN A 514 14.171 -5.461 -1.673 1.00 2.88 O flip ATOM 242 NE2 GLN A 514 15.777 -4.292 -2.703 1.00 2.17 N flip ATOM 0 H GLN A 514 15.560 -6.289 -0.340 1.00 1.97 H new ATOM 0 HA GLN A 514 16.973 -4.528 1.336 1.00 1.53 H new ATOM 0 HB2 GLN A 514 13.996 -4.799 0.766 1.00 1.48 H new ATOM 0 HB3 GLN A 514 14.733 -3.429 1.575 1.00 1.48 H new ATOM 0 HG2 GLN A 514 14.416 -2.737 -0.653 1.00 1.76 H new ATOM 0 HG3 GLN A 514 16.132 -3.067 -0.513 1.00 1.76 H new ATOM 0 HE21 GLN A 514 16.452 -3.527 -2.708 1.00 2.17 H new ATOM 0 HE22 GLN A 514 15.694 -4.904 -3.515 1.00 2.17 H new ATOM 251 N ARG A 515 16.393 -5.018 3.703 1.00 1.22 N ATOM 252 CA ARG A 515 16.146 -5.363 5.093 1.00 1.19 C ATOM 253 C ARG A 515 14.809 -4.804 5.549 1.00 1.13 C ATOM 254 O ARG A 515 14.585 -3.593 5.498 1.00 1.84 O ATOM 255 CB ARG A 515 17.260 -4.827 5.990 1.00 1.39 C ATOM 256 CG ARG A 515 18.586 -5.540 5.812 1.00 1.59 C ATOM 257 CD ARG A 515 19.628 -5.010 6.780 1.00 1.75 C ATOM 258 NE ARG A 515 19.167 -5.075 8.170 1.00 2.36 N ATOM 259 CZ ARG A 515 19.958 -5.337 9.208 1.00 3.12 C ATOM 260 NH1 ARG A 515 21.238 -5.624 9.013 1.00 3.44 N ATOM 261 NH2 ARG A 515 19.461 -5.329 10.440 1.00 4.00 N ATOM 0 H ARG A 515 17.108 -4.303 3.567 1.00 1.22 H new ATOM 0 HA ARG A 515 16.124 -6.450 5.171 1.00 1.19 H new ATOM 0 HB2 ARG A 515 17.399 -3.765 5.786 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.949 -4.913 7.031 1.00 1.39 H new ATOM 0 HG2 ARG A 515 18.451 -6.610 5.969 1.00 1.59 H new ATOM 0 HG3 ARG A 515 18.937 -5.410 4.788 1.00 1.59 H new ATOM 0 HD2 ARG A 515 20.547 -5.586 6.675 1.00 1.75 H new ATOM 0 HD3 ARG A 515 19.868 -3.978 6.525 1.00 1.75 H new ATOM 0 HE ARG A 515 18.177 -4.909 8.353 1.00 2.36 H new ATOM 0 HH11 ARG A 515 21.618 -5.644 8.067 1.00 3.44 H new ATOM 0 HH12 ARG A 515 21.843 -5.825 9.810 1.00 3.44 H new ATOM 0 HH21 ARG A 515 18.474 -5.122 10.590 1.00 4.00 H new ATOM 0 HH22 ARG A 515 20.067 -5.530 11.236 1.00 4.00 H new ATOM 275 N LYS A 516 13.917 -5.684 5.975 1.00 0.82 N ATOM 276 CA LYS A 516 12.608 -5.271 6.457 1.00 0.79 C ATOM 277 C LYS A 516 12.353 -5.861 7.845 1.00 0.90 C ATOM 278 O LYS A 516 11.272 -6.378 8.127 1.00 1.11 O ATOM 279 CB LYS A 516 11.505 -5.707 5.480 1.00 0.97 C ATOM 280 CG LYS A 516 11.705 -5.230 4.044 1.00 1.06 C ATOM 281 CD LYS A 516 11.858 -3.718 3.947 1.00 1.07 C ATOM 282 CE LYS A 516 11.945 -3.269 2.495 1.00 1.24 C ATOM 283 NZ LYS A 516 12.517 -1.899 2.355 1.00 1.89 N ATOM 0 H LYS A 516 14.076 -6.691 5.997 1.00 0.82 H new ATOM 0 HA LYS A 516 12.591 -4.183 6.525 1.00 0.79 H new ATOM 0 HB2 LYS A 516 11.445 -6.795 5.483 1.00 0.97 H new ATOM 0 HB3 LYS A 516 10.547 -5.334 5.843 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.590 -5.709 3.626 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.855 -5.545 3.438 1.00 1.06 H new ATOM 0 HD2 LYS A 516 11.011 -3.232 4.431 1.00 1.07 H new ATOM 0 HD3 LYS A 516 12.754 -3.405 4.482 1.00 1.07 H new ATOM 0 HE2 LYS A 516 12.559 -3.975 1.936 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.950 -3.291 2.051 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 12.508 -1.620 1.353 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 11.947 -1.227 2.907 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 13.496 -1.894 2.707 1.00 1.89 H new ATOM 297 N GLY A 517 13.365 -5.788 8.703 1.00 0.96 N ATOM 298 CA GLY A 517 13.244 -6.328 10.045 1.00 1.13 C ATOM 299 C GLY A 517 12.675 -5.317 11.021 1.00 1.25 C ATOM 300 O GLY A 517 11.546 -5.467 11.493 1.00 2.04 O ATOM 0 H GLY A 517 14.268 -5.364 8.493 1.00 0.96 H new ATOM 0 HA2 GLY A 517 12.603 -7.210 10.023 1.00 1.13 H new ATOM 0 HA3 GLY A 517 14.224 -6.654 10.393 1.00 1.13 H new ATOM 304 N ALA A 518 13.451 -4.282 11.316 1.00 1.01 N ATOM 305 CA ALA A 518 13.004 -3.213 12.200 1.00 1.14 C ATOM 306 C ALA A 518 12.407 -2.074 11.382 1.00 1.08 C ATOM 307 O ALA A 518 12.875 -0.932 11.432 1.00 1.75 O ATOM 308 CB ALA A 518 14.157 -2.713 13.059 1.00 1.41 C ATOM 0 H ALA A 518 14.397 -4.160 10.954 1.00 1.01 H new ATOM 0 HA ALA A 518 12.233 -3.605 12.864 1.00 1.14 H new ATOM 0 HB1 ALA A 518 13.804 -1.915 13.713 1.00 1.41 H new ATOM 0 HB2 ALA A 518 14.543 -3.534 13.664 1.00 1.41 H new ATOM 0 HB3 ALA A 518 14.951 -2.332 12.417 1.00 1.41 H new ATOM 314 N GLY A 519 11.370 -2.399 10.628 1.00 0.67 N ATOM 315 CA GLY A 519 10.773 -1.446 9.722 1.00 0.60 C ATOM 316 C GLY A 519 10.516 -2.068 8.373 1.00 0.50 C ATOM 317 O GLY A 519 11.401 -2.713 7.811 1.00 0.51 O ATOM 0 H GLY A 519 10.927 -3.318 10.629 1.00 0.67 H new ATOM 0 HA2 GLY A 519 9.836 -1.079 10.141 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.431 -0.585 9.609 1.00 0.60 H new ATOM 321 N ARG A 520 9.312 -1.907 7.848 1.00 0.46 N ATOM 322 CA ARG A 520 9.024 -2.393 6.511 1.00 0.40 C ATOM 323 C ARG A 520 8.305 -1.335 5.695 1.00 0.34 C ATOM 324 O ARG A 520 7.394 -0.667 6.184 1.00 0.36 O ATOM 325 CB ARG A 520 8.156 -3.647 6.550 1.00 0.44 C ATOM 326 CG ARG A 520 8.624 -4.712 7.523 1.00 0.56 C ATOM 327 CD ARG A 520 7.972 -6.044 7.207 1.00 0.64 C ATOM 328 NE ARG A 520 6.533 -5.900 7.007 1.00 0.93 N ATOM 329 CZ ARG A 520 5.911 -6.151 5.859 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.601 -6.534 4.788 1.00 2.13 N ATOM 331 NH2 ARG A 520 4.599 -6.007 5.781 1.00 2.22 N ATOM 0 H ARG A 520 8.531 -1.451 8.319 1.00 0.46 H new ATOM 0 HA ARG A 520 9.981 -2.631 6.047 1.00 0.40 H new ATOM 0 HB2 ARG A 520 7.137 -3.359 6.810 1.00 0.44 H new ATOM 0 HB3 ARG A 520 8.120 -4.079 5.550 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.708 -4.810 7.470 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.380 -4.414 8.543 1.00 0.56 H new ATOM 0 HD2 ARG A 520 8.424 -6.468 6.311 1.00 0.64 H new ATOM 0 HD3 ARG A 520 8.159 -6.744 8.021 1.00 0.64 H new ATOM 0 HE ARG A 520 5.969 -5.587 7.798 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.614 -6.637 4.844 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.117 -6.725 3.911 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.070 -5.705 6.599 1.00 2.22 H new ATOM 0 HH22 ARG A 520 4.116 -6.198 4.903 1.00 2.22 H new ATOM 345 N VAL A 521 8.724 -1.185 4.453 1.00 0.29 N ATOM 346 CA VAL A 521 8.019 -0.335 3.513 1.00 0.24 C ATOM 347 C VAL A 521 7.467 -1.153 2.357 1.00 0.21 C ATOM 348 O VAL A 521 8.217 -1.837 1.652 1.00 0.23 O ATOM 349 CB VAL A 521 8.895 0.801 2.961 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.113 1.632 1.956 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.413 1.675 4.085 1.00 0.32 C ATOM 0 H VAL A 521 9.552 -1.642 4.071 1.00 0.29 H new ATOM 0 HA VAL A 521 7.200 0.120 4.070 1.00 0.24 H new ATOM 0 HB VAL A 521 9.752 0.358 2.453 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.747 2.432 1.574 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.793 0.997 1.130 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.238 2.063 2.443 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.030 2.472 3.671 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.572 2.110 4.624 1.00 0.32 H new ATOM 0 HG23 VAL A 521 10.010 1.072 4.769 1.00 0.32 H new ATOM 361 N VAL A 522 6.165 -1.076 2.162 1.00 0.20 N ATOM 362 CA VAL A 522 5.528 -1.675 1.007 1.00 0.18 C ATOM 363 C VAL A 522 4.867 -0.552 0.225 1.00 0.18 C ATOM 364 O VAL A 522 4.035 0.174 0.767 1.00 0.19 O ATOM 365 CB VAL A 522 4.479 -2.733 1.414 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.934 -3.458 0.194 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.070 -3.724 2.405 1.00 0.22 C ATOM 0 H VAL A 522 5.523 -0.600 2.796 1.00 0.20 H new ATOM 0 HA VAL A 522 6.274 -2.192 0.403 1.00 0.18 H new ATOM 0 HB VAL A 522 3.651 -2.215 1.898 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.198 -4.197 0.509 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.463 -2.739 -0.476 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.750 -3.958 -0.327 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.314 -4.460 2.678 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.921 -4.230 1.950 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.399 -3.193 3.298 1.00 0.22 H new ATOM 377 N HIS A 523 5.249 -0.378 -1.026 1.00 0.18 N ATOM 378 CA HIS A 523 4.810 0.767 -1.801 1.00 0.18 C ATOM 379 C HIS A 523 3.773 0.349 -2.831 1.00 0.17 C ATOM 380 O HIS A 523 3.953 -0.628 -3.555 1.00 0.18 O ATOM 381 CB HIS A 523 6.029 1.405 -2.485 1.00 0.20 C ATOM 382 CG HIS A 523 5.710 2.518 -3.440 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.383 3.815 -3.224 1.00 0.39 N flip ATOM 384 CD2 HIS A 523 5.755 2.363 -4.807 1.00 0.30 C flip ATOM 385 CE1 HIS A 523 5.242 4.413 -4.453 1.00 0.44 C flip ATOM 386 NE2 HIS A 523 5.472 3.510 -5.388 1.00 0.37 N flip ATOM 0 H HIS A 523 5.865 -1.017 -1.529 1.00 0.18 H new ATOM 0 HA HIS A 523 4.344 1.497 -1.139 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.700 1.788 -1.716 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.572 0.629 -3.024 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.987 1.443 -5.323 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.986 5.448 -4.625 1.00 0.44 H new ATOM 0 HE2 HIS A 523 5.436 3.674 -6.394 1.00 0.37 H new ATOM 395 N ILE A 524 2.698 1.104 -2.890 1.00 0.16 N ATOM 396 CA ILE A 524 1.638 0.865 -3.843 1.00 0.16 C ATOM 397 C ILE A 524 1.633 1.996 -4.857 1.00 0.17 C ATOM 398 O ILE A 524 1.851 3.151 -4.505 1.00 0.19 O ATOM 399 CB ILE A 524 0.270 0.772 -3.134 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.337 -0.291 -2.031 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.837 0.456 -4.133 1.00 0.18 C ATOM 402 CD1 ILE A 524 -0.970 -0.525 -1.310 1.00 0.18 C ATOM 0 H ILE A 524 2.535 1.903 -2.277 1.00 0.16 H new ATOM 0 HA ILE A 524 1.813 -0.085 -4.348 1.00 0.16 H new ATOM 0 HB ILE A 524 0.037 1.735 -2.681 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.670 -1.232 -2.470 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.092 0.006 -1.303 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.792 0.395 -3.611 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -0.884 1.244 -4.885 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.628 -0.497 -4.619 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.833 -1.291 -0.547 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.296 0.402 -0.839 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.725 -0.855 -2.024 1.00 0.18 H new ATOM 414 N CYS A 525 1.429 1.669 -6.112 1.00 0.17 N ATOM 415 CA CYS A 525 1.482 2.667 -7.158 1.00 0.18 C ATOM 416 C CYS A 525 0.308 2.514 -8.108 1.00 0.15 C ATOM 417 O CYS A 525 -0.356 1.472 -8.119 1.00 0.16 O ATOM 418 CB CYS A 525 2.801 2.546 -7.924 1.00 0.29 C ATOM 419 SG CYS A 525 3.083 3.857 -9.135 1.00 1.17 S ATOM 0 H CYS A 525 1.225 0.723 -6.434 1.00 0.17 H new ATOM 0 HA CYS A 525 1.423 3.654 -6.700 1.00 0.18 H new ATOM 0 HB2 CYS A 525 3.624 2.545 -7.209 1.00 0.29 H new ATOM 0 HB3 CYS A 525 2.823 1.584 -8.436 1.00 0.29 H new ATOM 0 HG CYS A 525 3.831 3.405 -10.098 1.00 1.17 H new ATOM 425 N ASN A 526 0.054 3.580 -8.864 1.00 0.15 N ATOM 426 CA ASN A 526 -0.929 3.592 -9.953 1.00 0.16 C ATOM 427 C ASN A 526 -2.312 3.906 -9.419 1.00 0.15 C ATOM 428 O ASN A 526 -3.324 3.521 -10.004 1.00 0.18 O ATOM 429 CB ASN A 526 -0.932 2.278 -10.751 1.00 0.19 C ATOM 430 CG ASN A 526 0.378 2.030 -11.474 1.00 0.21 C ATOM 431 OD1 ASN A 526 1.088 2.967 -11.839 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.705 0.767 -11.695 1.00 0.26 N ATOM 0 H ASN A 526 0.530 4.473 -8.738 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.635 4.381 -10.645 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.132 1.447 -10.074 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.745 2.300 -11.477 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.572 0.543 -12.183 1.00 0.26 H new ATOM 0 HD22 ASN A 526 0.090 0.018 -11.377 1.00 0.26 H new ATOM 439 N LEU A 527 -2.343 4.647 -8.324 1.00 0.15 N ATOM 440 CA LEU A 527 -3.592 5.079 -7.730 1.00 0.17 C ATOM 441 C LEU A 527 -3.988 6.408 -8.347 1.00 0.22 C ATOM 442 O LEU A 527 -3.212 7.356 -8.310 1.00 0.25 O ATOM 443 CB LEU A 527 -3.432 5.233 -6.215 1.00 0.15 C ATOM 444 CG LEU A 527 -3.272 3.931 -5.433 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.857 4.225 -4.005 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.573 3.150 -5.444 1.00 0.21 C ATOM 0 H LEU A 527 -1.510 4.963 -7.827 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.366 4.335 -7.920 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.563 5.861 -6.021 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.302 5.764 -5.828 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.496 3.332 -5.909 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.746 3.289 -3.458 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -1.907 4.760 -4.005 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.619 4.838 -3.524 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.446 2.224 -4.883 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.360 3.748 -4.984 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.849 2.917 -6.472 1.00 0.21 H new ATOM 458 N PRO A 528 -5.184 6.512 -8.930 1.00 0.26 N ATOM 459 CA PRO A 528 -5.596 7.737 -9.597 1.00 0.33 C ATOM 460 C PRO A 528 -5.925 8.843 -8.603 1.00 0.34 C ATOM 461 O PRO A 528 -6.629 8.615 -7.618 1.00 0.32 O ATOM 462 CB PRO A 528 -6.855 7.332 -10.378 1.00 0.38 C ATOM 463 CG PRO A 528 -6.984 5.848 -10.229 1.00 0.37 C ATOM 464 CD PRO A 528 -6.210 5.468 -9.001 1.00 0.29 C ATOM 0 HA PRO A 528 -4.804 8.136 -10.231 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.736 7.840 -9.986 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.767 7.611 -11.428 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.030 5.559 -10.132 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.592 5.335 -11.107 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.840 5.459 -8.112 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.771 4.474 -9.091 1.00 0.29 H new ATOM 472 N GLU A 529 -5.420 10.037 -8.871 1.00 0.41 N ATOM 473 CA GLU A 529 -5.736 11.208 -8.068 1.00 0.46 C ATOM 474 C GLU A 529 -7.220 11.521 -8.191 1.00 0.47 C ATOM 475 O GLU A 529 -7.758 11.573 -9.299 1.00 0.53 O ATOM 476 CB GLU A 529 -4.898 12.394 -8.532 1.00 0.57 C ATOM 477 CG GLU A 529 -5.243 13.704 -7.844 1.00 0.66 C ATOM 478 CD GLU A 529 -4.532 14.886 -8.464 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.987 15.370 -9.522 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.518 15.343 -7.900 1.00 1.41 O ATOM 0 H GLU A 529 -4.783 10.221 -9.646 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.503 11.009 -7.022 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.845 12.171 -8.359 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.025 12.516 -9.608 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.320 13.865 -7.894 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.979 13.637 -6.789 1.00 0.66 H new ATOM 487 N GLY A 530 -7.879 11.723 -7.062 1.00 0.46 N ATOM 488 CA GLY A 530 -9.318 11.852 -7.069 1.00 0.48 C ATOM 489 C GLY A 530 -9.970 10.511 -6.825 1.00 0.43 C ATOM 490 O GLY A 530 -11.195 10.376 -6.860 1.00 0.46 O ATOM 0 H GLY A 530 -7.444 11.800 -6.143 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.629 12.560 -6.301 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.648 12.255 -8.026 1.00 0.48 H new ATOM 494 N SER A 531 -9.133 9.513 -6.581 1.00 0.37 N ATOM 495 CA SER A 531 -9.581 8.146 -6.385 1.00 0.35 C ATOM 496 C SER A 531 -8.644 7.413 -5.423 1.00 0.28 C ATOM 497 O SER A 531 -8.765 6.205 -5.212 1.00 0.30 O ATOM 498 CB SER A 531 -9.620 7.429 -7.730 1.00 0.40 C ATOM 499 OG SER A 531 -10.480 8.104 -8.636 1.00 1.08 O ATOM 0 H SER A 531 -8.122 9.631 -6.514 1.00 0.37 H new ATOM 0 HA SER A 531 -10.581 8.155 -5.951 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.615 7.375 -8.148 1.00 0.40 H new ATOM 0 HB3 SER A 531 -9.963 6.404 -7.591 1.00 0.40 H new ATOM 0 HG SER A 531 -11.413 7.915 -8.404 1.00 1.08 H new ATOM 505 N CYS A 532 -7.715 8.157 -4.834 1.00 0.24 N ATOM 506 CA CYS A 532 -6.783 7.593 -3.875 1.00 0.20 C ATOM 507 C CYS A 532 -7.372 7.718 -2.488 1.00 0.18 C ATOM 508 O CYS A 532 -7.070 8.665 -1.760 1.00 0.21 O ATOM 509 CB CYS A 532 -5.436 8.321 -3.906 1.00 0.21 C ATOM 510 SG CYS A 532 -4.622 8.345 -5.515 1.00 0.25 S ATOM 0 H CYS A 532 -7.590 9.154 -5.007 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.615 6.548 -4.136 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.588 9.349 -3.576 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.768 7.850 -3.184 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.471 7.998 -6.436 1.00 0.25 H new ATOM 516 N THR A 533 -8.228 6.788 -2.118 1.00 0.17 N ATOM 517 CA THR A 533 -8.854 6.862 -0.821 1.00 0.18 C ATOM 518 C THR A 533 -8.083 5.986 0.140 1.00 0.17 C ATOM 519 O THR A 533 -7.467 5.001 -0.267 1.00 0.18 O ATOM 520 CB THR A 533 -10.315 6.385 -0.876 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.348 4.968 -1.071 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.072 7.075 -2.004 1.00 0.28 C ATOM 0 H THR A 533 -8.501 5.987 -2.687 1.00 0.17 H new ATOM 0 HA THR A 533 -8.847 7.901 -0.490 1.00 0.18 H new ATOM 0 HB THR A 533 -10.798 6.640 0.067 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.603 4.771 -1.997 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.102 6.720 -2.021 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.062 8.153 -1.843 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.594 6.846 -2.956 1.00 0.28 H new ATOM 530 N GLU A 534 -8.112 6.336 1.411 1.00 0.19 N ATOM 531 CA GLU A 534 -7.455 5.539 2.425 1.00 0.20 C ATOM 532 C GLU A 534 -8.148 4.199 2.530 1.00 0.19 C ATOM 533 O GLU A 534 -7.522 3.166 2.761 1.00 0.20 O ATOM 534 CB GLU A 534 -7.440 6.273 3.764 1.00 0.23 C ATOM 535 CG GLU A 534 -6.790 7.655 3.686 1.00 0.27 C ATOM 536 CD GLU A 534 -6.660 8.325 5.042 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.699 8.570 5.691 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.517 8.591 5.473 1.00 1.64 O ATOM 0 H GLU A 534 -8.584 7.168 1.765 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.416 5.372 2.142 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.463 6.380 4.124 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.906 5.668 4.497 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.801 7.561 3.237 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.380 8.292 3.027 1.00 0.27 H new ATOM 545 N ASN A 535 -9.455 4.239 2.327 1.00 0.20 N ATOM 546 CA ASN A 535 -10.288 3.068 2.478 1.00 0.22 C ATOM 547 C ASN A 535 -9.941 2.000 1.439 1.00 0.21 C ATOM 548 O ASN A 535 -9.692 0.862 1.805 1.00 0.21 O ATOM 549 CB ASN A 535 -11.761 3.463 2.362 1.00 0.27 C ATOM 550 CG ASN A 535 -12.691 2.440 2.983 1.00 0.96 C ATOM 551 OD1 ASN A 535 -13.127 1.477 2.193 1.00 1.82 O flip ATOM 552 ND2 ASN A 535 -13.018 2.524 4.168 1.00 1.38 N flip ATOM 0 H ASN A 535 -9.961 5.081 2.055 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.105 2.643 3.465 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.914 4.428 2.846 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.017 3.590 1.310 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -12.658 3.285 4.744 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.649 1.833 4.573 1.00 1.38 H new ATOM 559 N ASP A 536 -9.841 2.379 0.158 1.00 0.21 N ATOM 560 CA ASP A 536 -9.649 1.393 -0.923 1.00 0.22 C ATOM 561 C ASP A 536 -8.260 0.763 -0.860 1.00 0.17 C ATOM 562 O ASP A 536 -8.098 -0.449 -1.006 1.00 0.16 O ATOM 563 CB ASP A 536 -9.847 2.031 -2.307 1.00 0.27 C ATOM 564 CG ASP A 536 -11.297 2.348 -2.626 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.099 1.403 -2.778 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.638 3.545 -2.749 1.00 0.61 O ATOM 0 H ASP A 536 -9.889 3.348 -0.157 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.401 0.618 -0.776 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.262 2.949 -2.362 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.455 1.357 -3.068 1.00 0.27 H new ATOM 571 N VAL A 537 -7.269 1.611 -0.640 1.00 0.15 N ATOM 572 CA VAL A 537 -5.874 1.178 -0.566 1.00 0.13 C ATOM 573 C VAL A 537 -5.700 0.161 0.563 1.00 0.12 C ATOM 574 O VAL A 537 -5.109 -0.916 0.391 1.00 0.13 O ATOM 575 CB VAL A 537 -4.932 2.386 -0.361 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.470 1.965 -0.341 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.167 3.408 -1.458 1.00 0.13 C ATOM 0 H VAL A 537 -7.402 2.614 -0.508 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.609 0.703 -1.510 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.158 2.829 0.609 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.841 2.843 -0.195 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.305 1.261 0.474 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.215 1.490 -1.288 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.502 4.259 -1.311 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.966 2.953 -2.428 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.202 3.747 -1.424 1.00 0.13 H new ATOM 587 N ILE A 538 -6.257 0.493 1.710 1.00 0.12 N ATOM 588 CA ILE A 538 -6.261 -0.411 2.839 1.00 0.12 C ATOM 589 C ILE A 538 -7.151 -1.630 2.573 1.00 0.12 C ATOM 590 O ILE A 538 -6.866 -2.727 3.059 1.00 0.12 O ATOM 591 CB ILE A 538 -6.676 0.293 4.138 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.635 1.336 4.532 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.842 -0.722 5.250 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.956 2.023 5.836 1.00 0.23 C ATOM 0 H ILE A 538 -6.715 1.388 1.884 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.236 -0.759 2.969 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.629 0.796 3.973 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.659 0.856 4.610 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.560 2.084 3.742 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -7.137 -0.212 6.167 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.611 -1.443 4.973 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.898 -1.243 5.411 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.180 2.754 6.063 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.918 2.529 5.753 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -6.003 1.283 6.635 1.00 0.23 H new ATOM 606 N ASN A 539 -8.237 -1.445 1.815 1.00 0.12 N ATOM 607 CA ASN A 539 -9.099 -2.571 1.442 1.00 0.14 C ATOM 608 C ASN A 539 -8.302 -3.628 0.703 1.00 0.15 C ATOM 609 O ASN A 539 -8.688 -4.792 0.679 1.00 0.17 O ATOM 610 CB ASN A 539 -10.278 -2.177 0.539 1.00 0.17 C ATOM 611 CG ASN A 539 -11.341 -1.312 1.193 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.484 -1.399 2.505 1.00 0.25 O flip ATOM 613 ND2 ASN A 539 -12.035 -0.563 0.505 1.00 0.21 N flip ATOM 0 H ASN A 539 -8.537 -0.540 1.452 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.497 -2.947 2.385 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.887 -1.647 -0.329 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.751 -3.087 0.171 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.896 -0.523 -0.505 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -12.749 0.017 0.945 1.00 0.21 H new ATOM 620 N LEU A 540 -7.229 -3.222 0.045 1.00 0.15 N ATOM 621 CA LEU A 540 -6.337 -4.184 -0.570 1.00 0.17 C ATOM 622 C LEU A 540 -5.473 -4.852 0.497 1.00 0.16 C ATOM 623 O LEU A 540 -5.290 -6.069 0.490 1.00 0.19 O ATOM 624 CB LEU A 540 -5.435 -3.481 -1.581 1.00 0.19 C ATOM 625 CG LEU A 540 -6.155 -2.799 -2.741 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.142 -2.169 -3.679 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.045 -3.784 -3.485 1.00 0.24 C ATOM 0 H LEU A 540 -6.959 -2.246 -0.075 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.934 -4.941 -1.078 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.842 -2.733 -1.054 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.737 -4.212 -1.989 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.796 -2.014 -2.340 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.663 -1.684 -4.505 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.554 -1.429 -3.136 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.480 -2.941 -4.071 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.546 -3.272 -4.307 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.436 -4.597 -3.881 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.791 -4.189 -2.801 1.00 0.24 H new ATOM 639 N GLY A 541 -4.978 -4.038 1.431 1.00 0.14 N ATOM 640 CA GLY A 541 -4.103 -4.538 2.484 1.00 0.16 C ATOM 641 C GLY A 541 -4.737 -5.520 3.465 1.00 0.15 C ATOM 642 O GLY A 541 -4.202 -6.600 3.701 1.00 0.19 O ATOM 0 H GLY A 541 -5.168 -3.037 1.477 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.245 -5.023 2.018 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.721 -3.687 3.047 1.00 0.16 H new ATOM 646 N LEU A 542 -5.879 -5.160 4.021 1.00 0.13 N ATOM 647 CA LEU A 542 -6.444 -5.897 5.159 1.00 0.14 C ATOM 648 C LEU A 542 -6.825 -7.360 4.874 1.00 0.16 C ATOM 649 O LEU A 542 -6.611 -8.216 5.730 1.00 0.20 O ATOM 650 CB LEU A 542 -7.637 -5.149 5.732 1.00 0.13 C ATOM 651 CG LEU A 542 -7.281 -3.919 6.559 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.529 -3.129 6.893 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.551 -4.333 7.827 1.00 0.16 C ATOM 0 H LEU A 542 -6.439 -4.366 3.711 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.635 -5.950 5.887 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.285 -4.843 4.911 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.213 -5.834 6.354 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.620 -3.281 5.973 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.258 -2.254 7.484 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.014 -2.809 5.971 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.214 -3.755 7.465 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.302 -3.446 8.409 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.191 -4.987 8.418 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.636 -4.863 7.563 1.00 0.16 H new ATOM 665 N PRO A 543 -7.420 -7.695 3.718 1.00 0.17 N ATOM 666 CA PRO A 543 -7.815 -9.077 3.432 1.00 0.19 C ATOM 667 C PRO A 543 -6.630 -10.043 3.357 1.00 0.20 C ATOM 668 O PRO A 543 -6.788 -11.236 3.613 1.00 0.23 O ATOM 669 CB PRO A 543 -8.528 -8.975 2.081 1.00 0.22 C ATOM 670 CG PRO A 543 -8.947 -7.551 2.007 1.00 0.21 C ATOM 671 CD PRO A 543 -7.813 -6.798 2.628 1.00 0.17 C ATOM 0 HA PRO A 543 -8.439 -9.486 4.227 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.865 -9.240 1.258 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.385 -9.647 2.029 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.114 -7.239 0.976 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.879 -7.382 2.546 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.999 -6.630 1.923 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.124 -5.820 2.995 1.00 0.17 H new ATOM 679 N PHE A 544 -5.443 -9.543 3.020 1.00 0.20 N ATOM 680 CA PHE A 544 -4.265 -10.403 2.951 1.00 0.22 C ATOM 681 C PHE A 544 -3.384 -10.254 4.193 1.00 0.22 C ATOM 682 O PHE A 544 -2.528 -11.098 4.456 1.00 0.28 O ATOM 683 CB PHE A 544 -3.430 -10.085 1.709 1.00 0.23 C ATOM 684 CG PHE A 544 -4.124 -10.336 0.400 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.311 -11.627 -0.068 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.569 -9.275 -0.370 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.933 -11.854 -1.282 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.194 -9.496 -1.582 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.376 -10.787 -2.038 1.00 0.33 C ATOM 0 H PHE A 544 -5.273 -8.563 2.794 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.627 -11.430 2.897 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -3.129 -9.038 1.749 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.517 -10.680 1.740 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.967 -12.464 0.521 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.426 -8.264 -0.019 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -5.072 -12.864 -1.638 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.540 -8.660 -2.172 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.864 -10.962 -2.985 1.00 0.33 H new ATOM 699 N GLY A 545 -3.598 -9.196 4.962 1.00 0.19 N ATOM 700 CA GLY A 545 -2.750 -8.942 6.112 1.00 0.21 C ATOM 701 C GLY A 545 -3.289 -7.836 6.991 1.00 0.21 C ATOM 702 O GLY A 545 -4.323 -7.252 6.694 1.00 0.44 O ATOM 0 H GLY A 545 -4.339 -8.511 4.813 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.655 -9.856 6.699 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.749 -8.677 5.771 1.00 0.21 H new ATOM 706 N LYS A 546 -2.589 -7.530 8.065 1.00 0.27 N ATOM 707 CA LYS A 546 -3.054 -6.510 8.988 1.00 0.25 C ATOM 708 C LYS A 546 -2.413 -5.175 8.636 1.00 0.20 C ATOM 709 O LYS A 546 -1.190 -5.064 8.596 1.00 0.24 O ATOM 710 CB LYS A 546 -2.722 -6.896 10.433 1.00 0.35 C ATOM 711 CG LYS A 546 -3.259 -5.918 11.469 1.00 0.41 C ATOM 712 CD LYS A 546 -2.765 -6.246 12.873 1.00 0.92 C ATOM 713 CE LYS A 546 -3.205 -7.630 13.332 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.685 -7.751 13.429 1.00 2.07 N ATOM 0 H LYS A 546 -1.704 -7.968 8.320 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.137 -6.423 8.902 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.128 -7.887 10.637 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.640 -6.967 10.541 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.954 -4.906 11.204 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.349 -5.936 11.454 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -1.677 -6.187 12.896 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.140 -5.498 13.572 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -2.827 -8.378 12.635 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -2.761 -7.846 14.304 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.931 -8.659 13.872 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -5.060 -6.972 14.006 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -5.100 -7.707 12.476 1.00 2.07 H new ATOM 728 N VAL A 547 -3.232 -4.171 8.367 1.00 0.16 N ATOM 729 CA VAL A 547 -2.732 -2.841 8.069 1.00 0.15 C ATOM 730 C VAL A 547 -2.568 -2.028 9.345 1.00 0.18 C ATOM 731 O VAL A 547 -3.542 -1.749 10.051 1.00 0.20 O ATOM 732 CB VAL A 547 -3.688 -2.111 7.100 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.264 -0.668 6.870 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.765 -2.857 5.781 1.00 0.14 C ATOM 0 H VAL A 547 -4.249 -4.254 8.349 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.756 -2.944 7.594 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.677 -2.092 7.559 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.962 -0.189 6.183 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -3.265 -0.133 7.820 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.262 -0.647 6.442 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.442 -2.333 5.106 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.773 -2.907 5.333 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.136 -3.867 5.955 1.00 0.14 H new ATOM 744 N THR A 548 -1.330 -1.686 9.662 1.00 0.20 N ATOM 745 CA THR A 548 -1.052 -0.857 10.817 1.00 0.23 C ATOM 746 C THR A 548 -0.782 0.594 10.429 1.00 0.23 C ATOM 747 O THR A 548 -1.208 1.518 11.123 1.00 0.27 O ATOM 748 CB THR A 548 0.141 -1.426 11.603 1.00 0.27 C ATOM 749 OG1 THR A 548 1.235 -1.684 10.711 1.00 0.26 O ATOM 750 CG2 THR A 548 -0.248 -2.709 12.320 1.00 0.31 C ATOM 0 H THR A 548 -0.504 -1.971 9.135 1.00 0.20 H new ATOM 0 HA THR A 548 -1.941 -0.867 11.448 1.00 0.23 H new ATOM 0 HB THR A 548 0.444 -0.690 12.348 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.007 -1.140 10.974 1.00 0.26 H new ATOM 0 HG21 THR A 548 0.611 -3.094 12.869 1.00 0.31 H new ATOM 0 HG22 THR A 548 -1.062 -2.505 13.016 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.573 -3.450 11.589 1.00 0.31 H new ATOM 758 N ASN A 549 -0.136 0.786 9.288 1.00 0.20 N ATOM 759 CA ASN A 549 0.215 2.123 8.808 1.00 0.21 C ATOM 760 C ASN A 549 0.012 2.204 7.306 1.00 0.18 C ATOM 761 O ASN A 549 0.090 1.201 6.602 1.00 0.20 O ATOM 762 CB ASN A 549 1.681 2.495 9.131 1.00 0.26 C ATOM 763 CG ASN A 549 1.946 2.865 10.586 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.260 2.424 11.500 1.00 1.26 O ATOM 765 ND2 ASN A 549 2.968 3.678 10.808 1.00 0.81 N ATOM 0 H ASN A 549 0.159 0.030 8.671 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.438 2.828 9.323 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.321 1.654 8.863 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.975 3.333 8.499 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.203 3.954 11.762 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.520 4.028 10.025 1.00 0.81 H new ATOM 772 N TYR A 550 -0.272 3.402 6.831 1.00 0.17 N ATOM 773 CA TYR A 550 -0.548 3.635 5.423 1.00 0.17 C ATOM 774 C TYR A 550 -0.377 5.113 5.105 1.00 0.17 C ATOM 775 O TYR A 550 -0.583 5.964 5.971 1.00 0.17 O ATOM 776 CB TYR A 550 -1.970 3.169 5.085 1.00 0.17 C ATOM 777 CG TYR A 550 -3.037 3.812 5.944 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.921 4.740 5.416 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.145 3.502 7.296 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.882 5.334 6.210 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.103 4.091 8.090 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.967 5.006 7.541 1.00 0.25 C ATOM 783 OH TYR A 550 -5.933 5.586 8.325 1.00 0.31 O ATOM 0 H TYR A 550 -0.318 4.241 7.409 1.00 0.17 H new ATOM 0 HA TYR A 550 0.155 3.064 4.816 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.177 3.389 4.038 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.026 2.087 5.200 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.857 5.002 4.370 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.464 2.785 7.731 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.565 6.055 5.785 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.174 3.835 9.137 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.165 4.980 9.060 1.00 0.31 H new ATOM 793 N ILE A 551 -0.010 5.417 3.870 1.00 0.18 N ATOM 794 CA ILE A 551 0.282 6.783 3.459 1.00 0.16 C ATOM 795 C ILE A 551 -0.198 6.965 2.036 1.00 0.17 C ATOM 796 O ILE A 551 0.165 6.185 1.165 1.00 0.20 O ATOM 797 CB ILE A 551 1.799 7.072 3.494 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.383 6.759 4.875 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.083 8.518 3.107 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.891 6.831 4.936 1.00 0.20 C ATOM 0 H ILE A 551 0.094 4.727 3.126 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.220 7.465 4.146 1.00 0.16 H new ATOM 0 HB ILE A 551 2.282 6.422 2.765 1.00 0.18 H new ATOM 0 HG12 ILE A 551 1.967 7.457 5.601 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.065 5.760 5.175 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.157 8.699 3.139 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.713 8.704 2.099 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.582 9.187 3.807 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.226 6.597 5.946 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.318 6.113 4.236 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.218 7.836 4.669 1.00 0.20 H new ATOM 812 N LEU A 552 -1.009 7.967 1.785 1.00 0.16 N ATOM 813 CA LEU A 552 -1.548 8.154 0.452 1.00 0.19 C ATOM 814 C LEU A 552 -0.900 9.337 -0.237 1.00 0.19 C ATOM 815 O LEU A 552 -1.034 10.463 0.225 1.00 0.26 O ATOM 816 CB LEU A 552 -3.050 8.358 0.504 1.00 0.27 C ATOM 817 CG LEU A 552 -3.869 7.142 0.877 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.321 7.450 0.624 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.429 5.917 0.096 1.00 0.42 C ATOM 0 H LEU A 552 -1.308 8.658 2.473 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.329 7.252 -0.120 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.265 9.151 1.221 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.383 8.711 -0.472 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.718 6.913 1.932 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.928 6.584 0.887 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.623 8.303 1.231 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.464 7.686 -0.430 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.038 5.061 0.388 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.552 6.102 -0.971 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.381 5.707 0.309 1.00 0.42 H new ATOM 831 N MET A 553 -0.249 9.103 -1.366 1.00 0.18 N ATOM 832 CA MET A 553 0.390 10.198 -2.077 1.00 0.26 C ATOM 833 C MET A 553 -0.375 10.487 -3.356 1.00 0.26 C ATOM 834 O MET A 553 -0.002 10.058 -4.449 1.00 0.25 O ATOM 835 CB MET A 553 1.846 9.863 -2.406 1.00 0.35 C ATOM 836 CG MET A 553 2.721 9.628 -1.187 1.00 0.56 C ATOM 837 SD MET A 553 4.400 9.139 -1.628 1.00 1.03 S ATOM 838 CE MET A 553 4.104 7.548 -2.387 1.00 0.80 C ATOM 0 H MET A 553 -0.150 8.186 -1.802 1.00 0.18 H new ATOM 0 HA MET A 553 0.381 11.080 -1.436 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.869 8.972 -3.033 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.271 10.677 -2.993 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.756 10.538 -0.588 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.272 8.854 -0.565 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.736 6.796 -1.914 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.057 7.274 -2.260 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.339 7.603 -3.450 1.00 0.80 H new ATOM 848 N LYS A 554 -1.449 11.233 -3.186 1.00 0.32 N ATOM 849 CA LYS A 554 -2.247 11.751 -4.280 1.00 0.37 C ATOM 850 C LYS A 554 -1.418 12.522 -5.298 1.00 0.38 C ATOM 851 O LYS A 554 -1.765 12.564 -6.478 1.00 0.40 O ATOM 852 CB LYS A 554 -3.363 12.637 -3.717 1.00 0.47 C ATOM 853 CG LYS A 554 -4.414 11.884 -2.899 1.00 0.43 C ATOM 854 CD LYS A 554 -3.866 11.298 -1.598 1.00 0.37 C ATOM 855 CE LYS A 554 -4.980 10.908 -0.640 1.00 0.39 C ATOM 856 NZ LYS A 554 -5.696 12.092 -0.098 1.00 1.03 N ATOM 0 H LYS A 554 -1.798 11.501 -2.266 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.676 10.900 -4.810 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.916 13.409 -3.090 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -3.859 13.145 -4.544 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -5.236 12.561 -2.666 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.827 11.078 -3.506 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -3.257 10.423 -1.822 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.213 12.027 -1.118 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.690 10.261 -1.155 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.562 10.330 0.184 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.209 11.822 0.765 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.009 12.840 0.127 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.371 12.444 -0.806 1.00 1.03 H new ATOM 870 N SER A 555 -0.318 13.112 -4.859 1.00 0.40 N ATOM 871 CA SER A 555 0.476 13.964 -5.723 1.00 0.44 C ATOM 872 C SER A 555 1.176 13.147 -6.810 1.00 0.38 C ATOM 873 O SER A 555 1.191 13.533 -7.978 1.00 0.38 O ATOM 874 CB SER A 555 1.495 14.721 -4.871 1.00 0.51 C ATOM 875 OG SER A 555 2.297 13.816 -4.128 1.00 0.50 O ATOM 0 H SER A 555 0.043 13.015 -3.910 1.00 0.40 H new ATOM 0 HA SER A 555 -0.179 14.676 -6.225 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.128 15.335 -5.512 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.977 15.398 -4.192 1.00 0.51 H new ATOM 0 HG SER A 555 2.944 14.318 -3.590 1.00 0.50 H new ATOM 881 N THR A 556 1.752 12.015 -6.422 1.00 0.34 N ATOM 882 CA THR A 556 2.488 11.172 -7.352 1.00 0.32 C ATOM 883 C THR A 556 1.657 9.993 -7.852 1.00 0.27 C ATOM 884 O THR A 556 2.160 9.154 -8.602 1.00 0.28 O ATOM 885 CB THR A 556 3.774 10.639 -6.695 1.00 0.36 C ATOM 886 OG1 THR A 556 3.453 9.987 -5.458 1.00 0.34 O ATOM 887 CG2 THR A 556 4.766 11.762 -6.436 1.00 0.45 C ATOM 0 H THR A 556 1.722 11.660 -5.466 1.00 0.34 H new ATOM 0 HA THR A 556 2.737 11.798 -8.209 1.00 0.32 H new ATOM 0 HB THR A 556 4.234 9.926 -7.380 1.00 0.36 H new ATOM 0 HG1 THR A 556 4.274 9.648 -5.044 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.664 11.354 -5.972 1.00 0.45 H new ATOM 0 HG22 THR A 556 5.030 12.239 -7.380 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.316 12.499 -5.771 1.00 0.45 H new ATOM 895 N ASN A 557 0.380 9.953 -7.456 1.00 0.26 N ATOM 896 CA ASN A 557 -0.515 8.841 -7.799 1.00 0.26 C ATOM 897 C ASN A 557 0.042 7.528 -7.249 1.00 0.21 C ATOM 898 O ASN A 557 -0.024 6.473 -7.891 1.00 0.25 O ATOM 899 CB ASN A 557 -0.716 8.747 -9.321 1.00 0.31 C ATOM 900 CG ASN A 557 -1.434 9.955 -9.896 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.663 9.983 -9.993 1.00 1.09 O ATOM 902 ND2 ASN A 557 -0.672 10.963 -10.294 1.00 1.28 N ATOM 0 H ASN A 557 -0.059 10.682 -6.894 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.487 9.028 -7.343 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.255 8.643 -9.805 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.286 7.847 -9.553 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.099 11.797 -10.696 1.00 1.28 H new ATOM 0 HD22 ASN A 557 0.342 10.905 -10.198 1.00 1.28 H new ATOM 909 N GLN A 558 0.580 7.614 -6.040 1.00 0.17 N ATOM 910 CA GLN A 558 1.247 6.492 -5.389 1.00 0.17 C ATOM 911 C GLN A 558 0.883 6.466 -3.910 1.00 0.16 C ATOM 912 O GLN A 558 0.290 7.411 -3.408 1.00 0.20 O ATOM 913 CB GLN A 558 2.760 6.620 -5.559 1.00 0.22 C ATOM 914 CG GLN A 558 3.210 6.609 -7.008 1.00 0.29 C ATOM 915 CD GLN A 558 4.678 6.930 -7.162 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.482 6.638 -6.279 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.037 7.529 -8.287 1.00 0.84 N ATOM 0 H GLN A 558 0.567 8.467 -5.480 1.00 0.17 H new ATOM 0 HA GLN A 558 0.919 5.560 -5.850 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.093 7.546 -5.091 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.248 5.802 -5.029 1.00 0.22 H new ATOM 0 HG2 GLN A 558 3.009 5.629 -7.440 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.622 7.333 -7.573 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.335 7.752 -8.992 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.016 7.767 -8.448 1.00 0.84 H new ATOM 926 N ALA A 559 1.194 5.381 -3.215 1.00 0.15 N ATOM 927 CA ALA A 559 0.871 5.276 -1.800 1.00 0.14 C ATOM 928 C ALA A 559 1.749 4.240 -1.092 1.00 0.14 C ATOM 929 O ALA A 559 2.457 3.467 -1.731 1.00 0.16 O ATOM 930 CB ALA A 559 -0.601 4.956 -1.629 1.00 0.15 C ATOM 0 H ALA A 559 1.667 4.566 -3.605 1.00 0.15 H new ATOM 0 HA ALA A 559 1.078 6.238 -1.331 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.836 4.879 -0.567 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.200 5.749 -2.076 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.827 4.010 -2.120 1.00 0.15 H new ATOM 936 N PHE A 560 1.723 4.267 0.231 1.00 0.14 N ATOM 937 CA PHE A 560 2.467 3.306 1.046 1.00 0.15 C ATOM 938 C PHE A 560 1.523 2.493 1.918 1.00 0.14 C ATOM 939 O PHE A 560 0.495 2.996 2.374 1.00 0.16 O ATOM 940 CB PHE A 560 3.485 4.003 1.954 1.00 0.16 C ATOM 941 CG PHE A 560 4.624 4.666 1.235 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.620 3.908 0.647 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.713 6.047 1.173 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.683 4.512 0.006 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.771 6.657 0.530 1.00 0.35 C ATOM 946 CZ PHE A 560 6.758 5.889 -0.053 1.00 0.30 C ATOM 0 H PHE A 560 1.191 4.949 0.772 1.00 0.14 H new ATOM 0 HA PHE A 560 2.995 2.650 0.354 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.965 4.753 2.550 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.892 3.269 2.650 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.566 2.830 0.690 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.946 6.653 1.633 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.455 3.908 -0.448 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.826 7.735 0.483 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.588 6.365 -0.555 1.00 0.30 H new ATOM 956 N LEU A 561 1.892 1.241 2.154 1.00 0.14 N ATOM 957 CA LEU A 561 1.083 0.335 2.950 1.00 0.14 C ATOM 958 C LEU A 561 1.966 -0.493 3.884 1.00 0.16 C ATOM 959 O LEU A 561 2.848 -1.223 3.437 1.00 0.18 O ATOM 960 CB LEU A 561 0.287 -0.581 2.012 1.00 0.15 C ATOM 961 CG LEU A 561 -0.654 -1.583 2.686 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.669 -0.858 3.557 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.360 -2.431 1.632 1.00 0.20 C ATOM 0 H LEU A 561 2.756 0.829 1.800 1.00 0.14 H new ATOM 0 HA LEU A 561 0.393 0.912 3.565 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.302 0.044 1.341 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.993 -1.136 1.394 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.065 -2.241 3.325 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.330 -1.586 4.028 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.147 -0.289 4.327 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.258 -0.179 2.941 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.027 -3.140 2.122 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.939 -1.784 0.973 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.619 -2.975 1.047 1.00 0.20 H new ATOM 975 N GLU A 562 1.735 -0.357 5.181 1.00 0.17 N ATOM 976 CA GLU A 562 2.453 -1.150 6.169 1.00 0.20 C ATOM 977 C GLU A 562 1.596 -2.314 6.635 1.00 0.18 C ATOM 978 O GLU A 562 0.481 -2.132 7.133 1.00 0.18 O ATOM 979 CB GLU A 562 2.870 -0.305 7.374 1.00 0.27 C ATOM 980 CG GLU A 562 3.667 -1.088 8.410 1.00 0.57 C ATOM 981 CD GLU A 562 4.087 -0.250 9.600 1.00 1.17 C ATOM 982 OE1 GLU A 562 5.221 0.272 9.598 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.273 -0.090 10.532 1.00 1.21 O ATOM 0 H GLU A 562 1.056 0.295 5.575 1.00 0.17 H new ATOM 0 HA GLU A 562 3.356 -1.530 5.690 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.467 0.539 7.028 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.978 0.107 7.847 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.068 -1.929 8.760 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.556 -1.505 7.936 1.00 0.57 H new ATOM 990 N MET A 563 2.131 -3.508 6.466 1.00 0.25 N ATOM 991 CA MET A 563 1.433 -4.723 6.835 1.00 0.23 C ATOM 992 C MET A 563 2.131 -5.345 8.034 1.00 0.27 C ATOM 993 O MET A 563 3.352 -5.228 8.138 1.00 0.39 O ATOM 994 CB MET A 563 1.442 -5.693 5.658 1.00 0.25 C ATOM 995 CG MET A 563 1.004 -5.053 4.352 1.00 0.25 C ATOM 996 SD MET A 563 1.667 -5.910 2.914 1.00 0.31 S ATOM 997 CE MET A 563 1.097 -4.852 1.583 1.00 0.25 C ATOM 0 H MET A 563 3.058 -3.662 6.070 1.00 0.25 H new ATOM 0 HA MET A 563 0.399 -4.497 7.095 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.447 -6.099 5.537 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.784 -6.533 5.882 1.00 0.25 H new ATOM 0 HG2 MET A 563 -0.085 -5.049 4.299 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.328 -4.012 4.333 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.355 -5.302 0.624 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.015 -4.734 1.649 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.574 -3.875 1.665 1.00 0.25 H new ATOM 1007 N ALA A 564 1.392 -6.007 8.910 1.00 0.28 N ATOM 1008 CA ALA A 564 1.937 -6.422 10.200 1.00 0.33 C ATOM 1009 C ALA A 564 3.151 -7.323 10.032 1.00 0.27 C ATOM 1010 O ALA A 564 4.178 -7.131 10.692 1.00 0.40 O ATOM 1011 CB ALA A 564 0.870 -7.118 11.028 1.00 0.50 C ATOM 0 H ALA A 564 0.418 -6.269 8.756 1.00 0.28 H new ATOM 0 HA ALA A 564 2.262 -5.524 10.726 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.293 -7.421 11.986 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.038 -6.435 11.198 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.513 -7.999 10.495 1.00 0.50 H new ATOM 1017 N TYR A 565 3.044 -8.280 9.126 1.00 0.27 N ATOM 1018 CA TYR A 565 4.120 -9.225 8.896 1.00 0.37 C ATOM 1019 C TYR A 565 4.584 -9.186 7.446 1.00 0.33 C ATOM 1020 O TYR A 565 3.832 -8.813 6.542 1.00 0.29 O ATOM 1021 CB TYR A 565 3.665 -10.635 9.262 1.00 0.55 C ATOM 1022 CG TYR A 565 3.325 -10.808 10.722 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.005 -10.915 11.138 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.323 -10.864 11.685 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.689 -11.077 12.471 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.015 -11.024 13.021 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.697 -11.130 13.410 1.00 0.98 C ATOM 1028 OH TYR A 565 2.386 -11.297 14.741 1.00 1.15 O ATOM 0 H TYR A 565 2.222 -8.422 8.538 1.00 0.27 H new ATOM 0 HA TYR A 565 4.961 -8.943 9.529 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.791 -10.891 8.663 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.452 -11.341 8.996 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.212 -10.871 10.406 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.357 -10.781 11.384 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.657 -11.162 12.778 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.803 -11.066 13.758 1.00 1.00 H new ATOM 0 HH TYR A 565 3.211 -11.314 15.270 1.00 1.15 H new ATOM 1038 N THR A 566 5.834 -9.585 7.242 1.00 0.39 N ATOM 1039 CA THR A 566 6.448 -9.601 5.920 1.00 0.40 C ATOM 1040 C THR A 566 5.748 -10.614 5.015 1.00 0.36 C ATOM 1041 O THR A 566 5.714 -10.459 3.791 1.00 0.35 O ATOM 1042 CB THR A 566 7.966 -9.904 5.999 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.553 -9.824 4.697 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.236 -11.279 6.594 1.00 0.57 C ATOM 0 H THR A 566 6.450 -9.907 7.988 1.00 0.39 H new ATOM 0 HA THR A 566 6.330 -8.606 5.491 1.00 0.40 H new ATOM 0 HB THR A 566 8.415 -9.157 6.653 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.512 -10.016 4.758 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.311 -11.454 6.633 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.824 -11.326 7.602 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.766 -12.042 5.974 1.00 0.57 H new ATOM 1052 N GLU A 567 5.174 -11.637 5.639 1.00 0.38 N ATOM 1053 CA GLU A 567 4.406 -12.663 4.945 1.00 0.40 C ATOM 1054 C GLU A 567 3.249 -12.050 4.157 1.00 0.31 C ATOM 1055 O GLU A 567 2.849 -12.571 3.117 1.00 0.32 O ATOM 1056 CB GLU A 567 3.877 -13.681 5.952 1.00 0.49 C ATOM 1057 CG GLU A 567 2.947 -13.085 6.996 1.00 0.55 C ATOM 1058 CD GLU A 567 2.728 -14.018 8.166 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.609 -14.085 9.049 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.679 -14.694 8.203 1.00 0.84 O ATOM 0 H GLU A 567 5.229 -11.778 6.648 1.00 0.38 H new ATOM 0 HA GLU A 567 5.065 -13.164 4.236 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.348 -14.468 5.415 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.721 -14.151 6.457 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.364 -12.145 7.357 1.00 0.55 H new ATOM 0 HG3 GLU A 567 1.987 -12.852 6.535 1.00 0.55 H new ATOM 1067 N ALA A 568 2.713 -10.949 4.662 1.00 0.26 N ATOM 1068 CA ALA A 568 1.582 -10.301 4.028 1.00 0.24 C ATOM 1069 C ALA A 568 2.017 -9.608 2.747 1.00 0.21 C ATOM 1070 O ALA A 568 1.364 -9.731 1.714 1.00 0.22 O ATOM 1071 CB ALA A 568 0.935 -9.308 4.979 1.00 0.25 C ATOM 0 H ALA A 568 3.045 -10.488 5.509 1.00 0.26 H new ATOM 0 HA ALA A 568 0.845 -11.063 3.774 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.088 -8.831 4.486 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.589 -9.831 5.871 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.664 -8.549 5.263 1.00 0.25 H new ATOM 1077 N ALA A 569 3.148 -8.912 2.812 1.00 0.19 N ATOM 1078 CA ALA A 569 3.637 -8.138 1.680 1.00 0.21 C ATOM 1079 C ALA A 569 3.960 -9.032 0.493 1.00 0.22 C ATOM 1080 O ALA A 569 3.587 -8.727 -0.638 1.00 0.24 O ATOM 1081 CB ALA A 569 4.861 -7.338 2.084 1.00 0.23 C ATOM 0 H ALA A 569 3.743 -8.869 3.639 1.00 0.19 H new ATOM 0 HA ALA A 569 2.846 -7.453 1.375 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.218 -6.763 1.230 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.600 -6.658 2.895 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.646 -8.017 2.418 1.00 0.23 H new ATOM 1087 N GLN A 570 4.627 -10.149 0.758 1.00 0.24 N ATOM 1088 CA GLN A 570 5.017 -11.064 -0.305 1.00 0.28 C ATOM 1089 C GLN A 570 3.781 -11.670 -0.966 1.00 0.27 C ATOM 1090 O GLN A 570 3.717 -11.789 -2.187 1.00 0.29 O ATOM 1091 CB GLN A 570 5.935 -12.172 0.234 1.00 0.34 C ATOM 1092 CG GLN A 570 5.319 -12.994 1.354 1.00 0.38 C ATOM 1093 CD GLN A 570 6.231 -14.096 1.857 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.454 -13.976 1.818 1.00 1.24 O ATOM 1095 NE2 GLN A 570 5.640 -15.178 2.340 1.00 1.04 N ATOM 0 H GLN A 570 4.907 -10.441 1.694 1.00 0.24 H new ATOM 0 HA GLN A 570 5.571 -10.498 -1.054 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.204 -12.838 -0.586 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.859 -11.721 0.594 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.066 -12.334 2.184 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.387 -13.435 1.002 1.00 0.38 H new ATOM 0 HE21 GLN A 570 4.622 -15.239 2.355 1.00 1.04 H new ATOM 0 HE22 GLN A 570 6.203 -15.950 2.697 1.00 1.04 H new ATOM 1104 N ALA A 571 2.788 -12.009 -0.150 1.00 0.26 N ATOM 1105 CA ALA A 571 1.568 -12.627 -0.642 1.00 0.27 C ATOM 1106 C ALA A 571 0.790 -11.670 -1.536 1.00 0.25 C ATOM 1107 O ALA A 571 0.297 -12.062 -2.596 1.00 0.27 O ATOM 1108 CB ALA A 571 0.705 -13.089 0.522 1.00 0.31 C ATOM 0 H ALA A 571 2.808 -11.864 0.859 1.00 0.26 H new ATOM 0 HA ALA A 571 1.844 -13.495 -1.241 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.206 -13.550 0.139 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.257 -13.816 1.118 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.444 -12.233 1.144 1.00 0.31 H new ATOM 1114 N MET A 572 0.691 -10.413 -1.111 1.00 0.25 N ATOM 1115 CA MET A 572 -0.042 -9.410 -1.877 1.00 0.28 C ATOM 1116 C MET A 572 0.653 -9.129 -3.200 1.00 0.24 C ATOM 1117 O MET A 572 0.012 -9.132 -4.248 1.00 0.24 O ATOM 1118 CB MET A 572 -0.197 -8.105 -1.094 1.00 0.37 C ATOM 1119 CG MET A 572 -0.800 -8.291 0.283 1.00 0.47 C ATOM 1120 SD MET A 572 -1.437 -6.761 0.982 1.00 0.36 S ATOM 1121 CE MET A 572 -1.454 -7.183 2.723 1.00 0.33 C ATOM 0 H MET A 572 1.106 -10.067 -0.246 1.00 0.25 H new ATOM 0 HA MET A 572 -1.035 -9.816 -2.070 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.781 -7.634 -0.993 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.823 -7.420 -1.666 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.607 -9.021 0.225 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.045 -8.703 0.952 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.618 -6.282 3.314 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.256 -7.895 2.917 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.498 -7.629 2.999 1.00 0.33 H new ATOM 1131 N VAL A 573 1.965 -8.914 -3.155 1.00 0.24 N ATOM 1132 CA VAL A 573 2.719 -8.609 -4.366 1.00 0.27 C ATOM 1133 C VAL A 573 2.566 -9.733 -5.385 1.00 0.25 C ATOM 1134 O VAL A 573 2.264 -9.480 -6.545 1.00 0.28 O ATOM 1135 CB VAL A 573 4.219 -8.375 -4.070 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.005 -8.179 -5.361 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.401 -7.172 -3.156 1.00 0.32 C ATOM 0 H VAL A 573 2.523 -8.945 -2.302 1.00 0.24 H new ATOM 0 HA VAL A 573 2.310 -7.686 -4.776 1.00 0.27 H new ATOM 0 HB VAL A 573 4.605 -9.261 -3.565 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.057 -8.016 -5.126 1.00 0.34 H new ATOM 0 HG12 VAL A 573 4.906 -9.067 -5.986 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.615 -7.313 -5.897 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.462 -7.022 -2.958 1.00 0.32 H new ATOM 0 HG22 VAL A 573 3.993 -6.284 -3.638 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.878 -7.347 -2.216 1.00 0.32 H new ATOM 1147 N GLN A 574 2.723 -10.974 -4.931 1.00 0.23 N ATOM 1148 CA GLN A 574 2.572 -12.135 -5.806 1.00 0.25 C ATOM 1149 C GLN A 574 1.161 -12.207 -6.377 1.00 0.23 C ATOM 1150 O GLN A 574 0.968 -12.578 -7.536 1.00 0.26 O ATOM 1151 CB GLN A 574 2.891 -13.426 -5.052 1.00 0.28 C ATOM 1152 CG GLN A 574 4.341 -13.536 -4.614 1.00 0.33 C ATOM 1153 CD GLN A 574 4.596 -14.761 -3.760 1.00 1.30 C ATOM 1154 OE1 GLN A 574 3.709 -15.232 -3.046 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.810 -15.285 -3.822 1.00 2.09 N ATOM 0 H GLN A 574 2.954 -11.202 -3.964 1.00 0.23 H new ATOM 0 HA GLN A 574 3.277 -12.023 -6.630 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.250 -13.491 -4.173 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.647 -14.277 -5.688 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.982 -13.571 -5.495 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.617 -12.642 -4.054 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.517 -14.865 -4.426 1.00 2.09 H new ATOM 0 HE22 GLN A 574 6.039 -16.109 -3.266 1.00 2.09 H new ATOM 1164 N TYR A 575 0.179 -11.842 -5.564 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.209 -11.867 -6.000 1.00 0.20 C ATOM 1166 C TYR A 575 -1.435 -10.820 -7.079 1.00 0.20 C ATOM 1167 O TYR A 575 -1.944 -11.129 -8.149 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.164 -11.622 -4.826 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.625 -11.599 -5.224 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.274 -10.400 -5.479 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.353 -12.777 -5.344 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.607 -10.372 -5.841 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.686 -12.757 -5.706 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.306 -11.562 -5.960 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.635 -11.528 -6.312 1.00 0.48 O ATOM 0 H TYR A 575 0.317 -11.527 -4.604 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.417 -12.857 -6.407 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -2.013 -12.400 -4.078 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.910 -10.673 -4.355 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.728 -9.472 -5.393 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.869 -13.723 -5.151 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.100 -9.430 -6.030 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.238 -13.681 -5.789 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.985 -12.442 -6.355 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.031 -9.589 -6.792 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.222 -8.477 -7.717 1.00 0.25 C ATOM 1187 C TYR A 576 -0.292 -8.552 -8.932 1.00 0.30 C ATOM 1188 O TYR A 576 -0.479 -7.825 -9.906 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.079 -7.142 -6.983 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.152 -6.944 -5.928 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.489 -6.818 -6.286 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.833 -6.899 -4.578 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.473 -6.654 -5.329 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.812 -6.734 -3.616 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.129 -6.612 -3.997 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.106 -6.452 -3.040 1.00 0.35 O ATOM 0 H TYR A 576 -0.566 -9.334 -5.921 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.237 -8.552 -8.108 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.097 -7.093 -6.512 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.128 -6.327 -7.705 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.764 -6.849 -7.330 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.801 -6.995 -4.274 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.507 -6.559 -5.625 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.545 -6.701 -2.570 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.695 -6.444 -2.151 1.00 0.35 H new ATOM 1206 N GLN A 577 0.721 -9.406 -8.871 1.00 0.31 N ATOM 1207 CA GLN A 577 1.529 -9.692 -10.053 1.00 0.38 C ATOM 1208 C GLN A 577 0.692 -10.444 -11.082 1.00 0.37 C ATOM 1209 O GLN A 577 0.737 -10.149 -12.276 1.00 0.42 O ATOM 1210 CB GLN A 577 2.768 -10.519 -9.695 1.00 0.45 C ATOM 1211 CG GLN A 577 3.857 -9.738 -8.974 1.00 0.52 C ATOM 1212 CD GLN A 577 4.433 -8.620 -9.818 1.00 1.04 C ATOM 1213 OE1 GLN A 577 5.391 -8.821 -10.562 1.00 1.89 O ATOM 1214 NE2 GLN A 577 3.865 -7.432 -9.699 1.00 1.57 N ATOM 0 H GLN A 577 1.002 -9.908 -8.029 1.00 0.31 H new ATOM 0 HA GLN A 577 1.862 -8.742 -10.471 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.462 -11.356 -9.068 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.185 -10.941 -10.609 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.449 -9.320 -8.054 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.657 -10.420 -8.687 1.00 0.52 H new ATOM 0 HE21 GLN A 577 3.072 -7.307 -9.070 1.00 1.57 H new ATOM 0 HE22 GLN A 577 4.220 -6.641 -10.236 1.00 1.57 H new ATOM 1223 N GLU A 578 -0.081 -11.410 -10.604 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.962 -12.181 -11.470 1.00 0.38 C ATOM 1225 C GLU A 578 -2.304 -11.480 -11.661 1.00 0.33 C ATOM 1226 O GLU A 578 -2.870 -11.496 -12.755 1.00 0.36 O ATOM 1227 CB GLU A 578 -1.176 -13.578 -10.887 1.00 0.42 C ATOM 1228 CG GLU A 578 0.042 -14.479 -11.006 1.00 0.52 C ATOM 1229 CD GLU A 578 0.355 -14.844 -12.443 1.00 1.24 C ATOM 1230 OE1 GLU A 578 1.064 -14.064 -13.117 1.00 2.14 O ATOM 1231 OE2 GLU A 578 -0.102 -15.911 -12.906 1.00 1.31 O ATOM 0 H GLU A 578 -0.116 -11.678 -9.621 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.486 -12.267 -12.447 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.449 -13.486 -9.836 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -2.018 -14.050 -11.394 1.00 0.42 H new ATOM 0 HG2 GLU A 578 0.904 -13.979 -10.565 1.00 0.52 H new ATOM 0 HG3 GLU A 578 -0.126 -15.390 -10.431 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.813 -10.866 -10.601 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.044 -10.095 -10.673 1.00 0.28 C ATOM 1240 C LYS A 579 -3.892 -8.775 -9.933 1.00 0.25 C ATOM 1241 O LYS A 579 -4.087 -8.717 -8.720 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.217 -10.858 -10.056 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.693 -12.047 -10.870 1.00 0.42 C ATOM 1244 CD LYS A 579 -7.079 -12.497 -10.429 1.00 0.69 C ATOM 1245 CE LYS A 579 -8.142 -11.450 -10.751 1.00 1.69 C ATOM 1246 NZ LYS A 579 -8.193 -11.130 -12.203 1.00 2.46 N ATOM 0 H LYS A 579 -2.387 -10.889 -9.674 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.246 -9.914 -11.729 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.927 -11.206 -9.065 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.051 -10.169 -9.921 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.713 -11.783 -11.927 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.988 -12.871 -10.761 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -7.331 -13.435 -10.923 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -7.074 -12.693 -9.357 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -9.117 -11.813 -10.426 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -7.936 -10.540 -10.187 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.082 -10.636 -12.419 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.389 -10.520 -12.452 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.143 -12.010 -12.754 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.528 -7.704 -10.642 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.458 -6.368 -10.055 1.00 0.25 C ATOM 1262 C PRO A 580 -4.849 -5.856 -9.688 1.00 0.22 C ATOM 1263 O PRO A 580 -5.855 -6.360 -10.194 1.00 0.22 O ATOM 1264 CB PRO A 580 -2.837 -5.520 -11.163 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.158 -6.244 -12.422 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.158 -7.705 -12.068 1.00 0.32 C ATOM 0 HA PRO A 580 -2.882 -6.343 -9.130 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.252 -4.512 -11.170 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -1.760 -5.420 -11.028 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.128 -5.937 -12.813 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.420 -6.029 -13.195 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.874 -8.265 -12.670 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.180 -8.159 -12.230 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.909 -4.851 -8.828 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.190 -4.355 -8.350 1.00 0.22 C ATOM 1276 C ALA A 581 -6.689 -3.254 -9.265 1.00 0.20 C ATOM 1277 O ALA A 581 -5.923 -2.398 -9.692 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.062 -3.841 -6.927 1.00 0.27 C ATOM 0 H ALA A 581 -4.095 -4.367 -8.450 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.909 -5.174 -8.356 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.029 -3.473 -6.585 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.730 -4.650 -6.276 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.334 -3.030 -6.897 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.965 -3.300 -9.593 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.521 -2.397 -10.580 1.00 0.26 C ATOM 1286 C ILE A 582 -9.278 -1.243 -9.927 1.00 0.28 C ATOM 1287 O ILE A 582 -10.268 -1.454 -9.225 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.469 -3.163 -11.527 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.787 -4.439 -12.038 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.884 -2.284 -12.695 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.667 -5.287 -12.931 1.00 0.51 C ATOM 0 H ILE A 582 -8.636 -3.954 -9.190 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.689 -1.980 -11.148 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.364 -3.440 -10.971 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.887 -4.163 -12.587 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.469 -5.037 -11.184 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.552 -2.842 -13.351 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.399 -1.400 -12.320 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.999 -1.979 -13.253 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.115 -6.171 -13.252 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.556 -5.594 -12.380 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.964 -4.708 -13.805 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.806 -0.026 -10.174 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.485 1.184 -9.725 1.00 0.33 C ATOM 1305 C ILE A 583 -9.698 2.113 -10.914 1.00 0.36 C ATOM 1306 O ILE A 583 -8.734 2.594 -11.507 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.685 1.930 -8.629 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.634 1.114 -7.333 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.286 3.305 -8.366 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.982 0.940 -6.663 1.00 0.51 C ATOM 0 H ILE A 583 -7.944 0.149 -10.690 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.441 0.887 -9.293 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.665 2.060 -8.990 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.218 0.130 -7.551 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.953 1.601 -6.635 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.709 3.812 -7.593 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.261 3.894 -9.283 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.318 3.193 -8.034 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.863 0.352 -5.753 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.392 1.918 -6.412 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.662 0.425 -7.342 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.961 2.333 -11.270 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.329 3.131 -12.445 1.00 0.47 C ATOM 1324 C ASN A 584 -10.742 2.509 -13.703 1.00 0.45 C ATOM 1325 O ASN A 584 -10.397 3.206 -14.659 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.846 4.582 -12.329 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.421 5.324 -11.141 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.526 5.042 -10.676 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -10.670 6.293 -10.653 1.00 0.91 N ATOM 0 H ASN A 584 -11.761 1.965 -10.755 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.418 3.139 -12.502 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.758 4.589 -12.258 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.109 5.117 -13.242 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -10.999 6.843 -9.859 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -9.761 6.492 -11.070 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.639 1.191 -13.698 1.00 0.42 N ATOM 1337 CA GLY A 585 -10.087 0.480 -14.832 1.00 0.44 C ATOM 1338 C GLY A 585 -8.573 0.564 -14.899 1.00 0.39 C ATOM 1339 O GLY A 585 -7.966 0.134 -15.879 1.00 0.42 O ATOM 0 H GLY A 585 -10.930 0.596 -12.923 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.386 -0.567 -14.779 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.510 0.887 -15.751 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.959 1.116 -13.863 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.510 1.237 -13.813 1.00 0.32 C ATOM 1345 C GLU A 586 -5.922 0.214 -12.844 1.00 0.24 C ATOM 1346 O GLU A 586 -6.361 0.103 -11.699 1.00 0.26 O ATOM 1347 CB GLU A 586 -6.112 2.659 -13.409 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.543 3.712 -14.419 1.00 0.57 C ATOM 1349 CD GLU A 586 -6.212 5.126 -13.987 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -5.017 5.498 -14.013 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -7.147 5.885 -13.646 1.00 1.79 O ATOM 0 H GLU A 586 -8.442 1.487 -13.045 1.00 0.35 H new ATOM 0 HA GLU A 586 -6.107 1.035 -14.805 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.554 2.892 -12.440 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -5.030 2.705 -13.285 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -6.060 3.509 -15.375 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -7.618 3.631 -14.582 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.954 -0.556 -13.330 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.323 -1.605 -12.530 1.00 0.19 C ATOM 1360 C LYS A 587 -3.352 -1.024 -11.508 1.00 0.17 C ATOM 1361 O LYS A 587 -2.456 -0.252 -11.858 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.572 -2.592 -13.428 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.394 -3.141 -14.587 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.693 -3.781 -14.123 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.425 -4.446 -15.281 1.00 1.10 C ATOM 1366 NZ LYS A 587 -6.718 -3.494 -16.388 1.00 1.67 N ATOM 0 H LYS A 587 -4.587 -0.474 -14.278 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.120 -2.125 -11.999 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.687 -2.098 -13.829 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.224 -3.426 -12.819 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.618 -2.334 -15.284 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.803 -3.878 -15.131 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.481 -4.521 -13.351 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.334 -3.023 -13.672 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -5.822 -5.270 -15.664 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -7.359 -4.876 -14.918 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.346 -3.950 -17.081 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -7.183 -2.647 -16.004 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.830 -3.219 -16.854 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.533 -1.406 -10.250 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.672 -0.961 -9.164 1.00 0.15 C ATOM 1382 C LEU A 588 -1.488 -1.909 -8.995 1.00 0.17 C ATOM 1383 O LEU A 588 -1.646 -3.130 -9.062 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.464 -0.910 -7.856 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.785 -0.144 -7.920 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.453 -0.128 -6.559 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.569 1.268 -8.425 1.00 0.16 C ATOM 0 H LEU A 588 -4.281 -2.033 -9.955 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.301 0.034 -9.409 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.671 -1.931 -7.536 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.837 -0.456 -7.089 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.442 -0.656 -8.623 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.392 0.421 -6.621 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.651 -1.151 -6.239 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.796 0.357 -5.837 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.524 1.792 -8.461 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.891 1.795 -7.753 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.136 1.235 -9.425 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.312 -1.344 -8.773 1.00 0.17 N ATOM 1400 CA LEU A 589 0.897 -2.140 -8.616 1.00 0.19 C ATOM 1401 C LEU A 589 1.451 -2.024 -7.196 1.00 0.18 C ATOM 1402 O LEU A 589 1.861 -0.945 -6.772 1.00 0.18 O ATOM 1403 CB LEU A 589 1.956 -1.713 -9.636 1.00 0.23 C ATOM 1404 CG LEU A 589 3.243 -2.539 -9.626 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.944 -3.995 -9.943 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.241 -1.979 -10.622 1.00 0.38 C ATOM 0 H LEU A 589 -0.168 -0.337 -8.697 1.00 0.17 H new ATOM 0 HA LEU A 589 0.638 -3.183 -8.795 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.518 -1.765 -10.633 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.212 -0.669 -9.454 1.00 0.23 H new ATOM 0 HG LEU A 589 3.678 -2.483 -8.628 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.871 -4.568 -9.932 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.260 -4.397 -9.196 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.486 -4.066 -10.930 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.151 -2.579 -10.602 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.811 -2.007 -11.623 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.480 -0.949 -10.358 1.00 0.38 H new ATOM 1418 N ILE A 590 1.445 -3.130 -6.461 1.00 0.18 N ATOM 1419 CA ILE A 590 2.026 -3.164 -5.122 1.00 0.18 C ATOM 1420 C ILE A 590 3.394 -3.841 -5.158 1.00 0.20 C ATOM 1421 O ILE A 590 3.538 -4.928 -5.717 1.00 0.26 O ATOM 1422 CB ILE A 590 1.107 -3.900 -4.116 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.279 -3.244 -4.090 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.730 -3.906 -2.724 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.203 -3.778 -3.011 1.00 0.21 C ATOM 0 H ILE A 590 1.044 -4.016 -6.769 1.00 0.18 H new ATOM 0 HA ILE A 590 2.136 -2.133 -4.787 1.00 0.18 H new ATOM 0 HB ILE A 590 0.994 -4.935 -4.438 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.157 -2.170 -3.949 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.753 -3.386 -5.061 1.00 0.19 H new ATOM 0 HG21 ILE A 590 1.069 -4.428 -2.032 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.693 -4.415 -2.759 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.873 -2.880 -2.385 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.161 -3.260 -3.063 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.359 -4.846 -3.162 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.754 -3.612 -2.032 1.00 0.21 H new ATOM 1437 N ARG A 591 4.393 -3.188 -4.568 1.00 0.18 N ATOM 1438 CA ARG A 591 5.764 -3.695 -4.560 1.00 0.22 C ATOM 1439 C ARG A 591 6.457 -3.331 -3.253 1.00 0.18 C ATOM 1440 O ARG A 591 6.001 -2.457 -2.520 1.00 0.19 O ATOM 1441 CB ARG A 591 6.571 -3.103 -5.720 1.00 0.33 C ATOM 1442 CG ARG A 591 6.135 -3.569 -7.096 1.00 0.45 C ATOM 1443 CD ARG A 591 7.070 -3.043 -8.173 1.00 0.65 C ATOM 1444 NE ARG A 591 8.449 -3.486 -7.963 1.00 1.33 N ATOM 1445 CZ ARG A 591 9.418 -3.371 -8.870 1.00 1.69 C ATOM 1446 NH1 ARG A 591 9.170 -2.811 -10.045 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.637 -3.820 -8.596 1.00 2.62 N ATOM 0 H ARG A 591 4.277 -2.297 -4.084 1.00 0.18 H new ATOM 0 HA ARG A 591 5.715 -4.779 -4.666 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.498 -2.016 -5.679 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.622 -3.357 -5.581 1.00 0.33 H new ATOM 0 HG2 ARG A 591 6.117 -4.658 -7.126 1.00 0.45 H new ATOM 0 HG3 ARG A 591 5.119 -3.228 -7.294 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.725 -3.381 -9.150 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.036 -1.954 -8.183 1.00 0.65 H new ATOM 0 HE ARG A 591 8.683 -3.910 -7.065 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.234 -2.466 -10.258 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.915 -2.725 -10.736 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.830 -4.252 -7.692 1.00 2.62 H new ATOM 0 HH22 ARG A 591 11.380 -3.733 -9.289 1.00 2.62 H new ATOM 1461 N MET A 592 7.564 -3.999 -2.964 1.00 0.17 N ATOM 1462 CA MET A 592 8.378 -3.651 -1.806 1.00 0.18 C ATOM 1463 C MET A 592 9.299 -2.493 -2.164 1.00 0.21 C ATOM 1464 O MET A 592 9.785 -2.410 -3.293 1.00 0.29 O ATOM 1465 CB MET A 592 9.196 -4.851 -1.324 1.00 0.19 C ATOM 1466 CG MET A 592 8.345 -5.980 -0.773 1.00 0.22 C ATOM 1467 SD MET A 592 9.327 -7.276 0.003 1.00 0.29 S ATOM 1468 CE MET A 592 8.033 -8.386 0.543 1.00 0.34 C ATOM 0 H MET A 592 7.919 -4.782 -3.512 1.00 0.17 H new ATOM 0 HA MET A 592 7.717 -3.352 -0.993 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.795 -5.229 -2.152 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.891 -4.521 -0.552 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.642 -5.577 -0.044 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.754 -6.412 -1.581 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.132 -8.567 1.613 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.061 -7.937 0.340 1.00 0.34 H new ATOM 0 HE3 MET A 592 8.116 -9.331 0.006 1.00 0.34 H new ATOM 1478 N SER A 593 9.538 -1.598 -1.215 1.00 0.23 N ATOM 1479 CA SER A 593 10.325 -0.406 -1.493 1.00 0.26 C ATOM 1480 C SER A 593 11.816 -0.666 -1.345 1.00 0.25 C ATOM 1481 O SER A 593 12.280 -1.219 -0.340 1.00 0.27 O ATOM 1482 CB SER A 593 9.913 0.742 -0.579 1.00 0.34 C ATOM 1483 OG SER A 593 10.706 1.898 -0.810 1.00 1.37 O ATOM 0 H SER A 593 9.202 -1.674 -0.255 1.00 0.23 H new ATOM 0 HA SER A 593 10.128 -0.130 -2.529 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.862 0.981 -0.743 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.011 0.434 0.462 1.00 0.34 H new ATOM 0 HG SER A 593 10.285 2.450 -1.502 1.00 1.37 H new ATOM 1489 N THR A 594 12.545 -0.245 -2.359 1.00 0.27 N ATOM 1490 CA THR A 594 13.988 -0.350 -2.386 1.00 0.30 C ATOM 1491 C THR A 594 14.637 0.894 -1.779 1.00 0.31 C ATOM 1492 O THR A 594 15.838 0.912 -1.512 1.00 0.33 O ATOM 1493 CB THR A 594 14.481 -0.531 -3.831 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.848 0.441 -4.674 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.170 -1.928 -4.342 1.00 0.38 C ATOM 0 H THR A 594 12.147 0.184 -3.195 1.00 0.27 H new ATOM 0 HA THR A 594 14.273 -1.219 -1.793 1.00 0.30 H new ATOM 0 HB THR A 594 15.562 -0.393 -3.849 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.162 0.329 -5.596 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.529 -2.029 -5.366 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.664 -2.665 -3.709 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.093 -2.093 -4.317 1.00 0.38 H new ATOM 1503 N ARG A 595 13.833 1.933 -1.563 1.00 0.32 N ATOM 1504 CA ARG A 595 14.367 3.233 -1.172 1.00 0.37 C ATOM 1505 C ARG A 595 14.231 3.506 0.325 1.00 0.37 C ATOM 1506 O ARG A 595 15.059 4.210 0.904 1.00 0.41 O ATOM 1507 CB ARG A 595 13.648 4.333 -1.951 1.00 0.41 C ATOM 1508 CG ARG A 595 13.827 4.232 -3.455 1.00 0.46 C ATOM 1509 CD ARG A 595 13.005 5.281 -4.188 1.00 0.56 C ATOM 1510 NE ARG A 595 13.400 6.643 -3.834 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.016 7.728 -4.506 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.246 7.611 -5.582 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.410 8.929 -4.105 1.00 2.75 N ATOM 0 H ARG A 595 12.817 1.900 -1.652 1.00 0.32 H new ATOM 0 HA ARG A 595 15.432 3.224 -1.404 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.584 4.295 -1.717 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.014 5.303 -1.615 1.00 0.41 H new ATOM 0 HG2 ARG A 595 14.881 4.354 -3.706 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.533 3.238 -3.791 1.00 0.46 H new ATOM 0 HD2 ARG A 595 13.117 5.141 -5.263 1.00 0.56 H new ATOM 0 HD3 ARG A 595 11.949 5.139 -3.956 1.00 0.56 H new ATOM 0 HE ARG A 595 14.006 6.771 -3.024 1.00 1.36 H new ATOM 0 HH11 ARG A 595 11.946 6.688 -5.897 1.00 1.16 H new ATOM 0 HH12 ARG A 595 11.954 8.444 -6.093 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.007 9.022 -3.283 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.117 9.760 -4.619 1.00 2.75 H new ATOM 1527 N TYR A 596 13.205 2.946 0.952 1.00 0.35 N ATOM 1528 CA TYR A 596 12.932 3.240 2.359 1.00 0.37 C ATOM 1529 C TYR A 596 12.793 1.983 3.205 1.00 0.35 C ATOM 1530 O TYR A 596 12.419 0.914 2.710 1.00 0.36 O ATOM 1531 CB TYR A 596 11.675 4.103 2.491 1.00 0.39 C ATOM 1532 CG TYR A 596 11.896 5.548 2.108 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.821 5.963 0.784 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.185 6.499 3.077 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.029 7.284 0.440 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.391 7.821 2.740 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.313 8.207 1.422 1.00 0.56 C ATOM 1538 OH TYR A 596 12.516 9.524 1.082 1.00 0.65 O ATOM 0 H TYR A 596 12.553 2.293 0.518 1.00 0.35 H new ATOM 0 HA TYR A 596 13.794 3.790 2.738 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.888 3.685 1.863 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.319 4.058 3.520 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.597 5.241 0.012 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.250 6.199 4.112 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.969 7.592 -0.593 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.612 8.549 3.507 1.00 0.61 H new ATOM 0 HH TYR A 596 12.705 10.045 1.890 1.00 0.65 H new ATOM 1548 N LYS A 597 13.116 2.126 4.486 1.00 0.38 N ATOM 1549 CA LYS A 597 13.055 1.025 5.434 1.00 0.41 C ATOM 1550 C LYS A 597 11.906 1.178 6.418 1.00 0.41 C ATOM 1551 O LYS A 597 11.483 0.201 7.017 1.00 0.48 O ATOM 1552 CB LYS A 597 14.365 0.909 6.208 1.00 0.50 C ATOM 1553 CG LYS A 597 15.528 0.444 5.351 1.00 0.62 C ATOM 1554 CD LYS A 597 16.844 0.502 6.104 1.00 1.29 C ATOM 1555 CE LYS A 597 17.993 0.045 5.222 1.00 1.67 C ATOM 1556 NZ LYS A 597 19.307 0.164 5.904 1.00 2.18 N ATOM 0 H LYS A 597 13.427 3.008 4.894 1.00 0.38 H new ATOM 0 HA LYS A 597 12.887 0.119 4.852 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.608 1.878 6.644 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.230 0.212 7.035 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.346 -0.577 5.016 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.593 1.066 4.458 1.00 0.62 H new ATOM 0 HD2 LYS A 597 17.027 1.520 6.448 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.788 -0.129 6.991 1.00 1.29 H new ATOM 0 HE2 LYS A 597 17.832 -0.992 4.927 1.00 1.67 H new ATOM 0 HE3 LYS A 597 18.005 0.639 4.308 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 20.061 -0.159 5.264 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 19.475 1.157 6.163 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 19.307 -0.423 6.763 1.00 2.18 H new ATOM 1570 N GLU A 598 11.388 2.388 6.584 1.00 0.38 N ATOM 1571 CA GLU A 598 10.355 2.616 7.586 1.00 0.41 C ATOM 1572 C GLU A 598 9.300 3.603 7.091 1.00 0.34 C ATOM 1573 O GLU A 598 9.577 4.476 6.268 1.00 0.33 O ATOM 1574 CB GLU A 598 10.991 3.142 8.877 1.00 0.55 C ATOM 1575 CG GLU A 598 9.999 3.388 10.004 1.00 0.62 C ATOM 1576 CD GLU A 598 10.632 4.078 11.192 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.829 3.423 12.237 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.938 5.283 11.085 1.00 0.91 O ATOM 0 H GLU A 598 11.660 3.213 6.049 1.00 0.38 H new ATOM 0 HA GLU A 598 9.860 1.664 7.779 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.741 2.428 9.217 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.514 4.073 8.658 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.174 3.996 9.632 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.574 2.437 10.324 1.00 0.62 H new ATOM 1585 N LEU A 599 8.090 3.436 7.608 1.00 0.36 N ATOM 1586 CA LEU A 599 6.974 4.313 7.290 1.00 0.32 C ATOM 1587 C LEU A 599 6.496 5.035 8.537 1.00 0.33 C ATOM 1588 O LEU A 599 6.093 4.403 9.512 1.00 0.37 O ATOM 1589 CB LEU A 599 5.820 3.507 6.689 1.00 0.33 C ATOM 1590 CG LEU A 599 6.158 2.765 5.400 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.973 1.950 4.917 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.593 3.744 4.327 1.00 0.33 C ATOM 0 H LEU A 599 7.856 2.688 8.260 1.00 0.36 H new ATOM 0 HA LEU A 599 7.313 5.049 6.561 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.478 2.783 7.429 1.00 0.33 H new ATOM 0 HB3 LEU A 599 4.987 4.182 6.495 1.00 0.33 H new ATOM 0 HG LEU A 599 6.981 2.081 5.608 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.240 1.431 3.997 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.698 1.220 5.679 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.128 2.613 4.728 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.831 3.200 3.413 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.786 4.450 4.130 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.475 4.287 4.666 1.00 0.33 H new ATOM 1604 N GLN A 600 6.535 6.354 8.503 1.00 0.36 N ATOM 1605 CA GLN A 600 6.083 7.153 9.629 1.00 0.44 C ATOM 1606 C GLN A 600 4.835 7.942 9.239 1.00 0.39 C ATOM 1607 O GLN A 600 4.750 8.469 8.131 1.00 0.43 O ATOM 1608 CB GLN A 600 7.199 8.092 10.102 1.00 0.59 C ATOM 1609 CG GLN A 600 7.675 9.069 9.039 1.00 0.85 C ATOM 1610 CD GLN A 600 8.866 9.888 9.491 1.00 1.10 C ATOM 1611 OE1 GLN A 600 10.014 9.498 9.283 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.603 11.019 10.124 1.00 1.34 N ATOM 0 H GLN A 600 6.875 6.896 7.708 1.00 0.36 H new ATOM 0 HA GLN A 600 5.829 6.490 10.456 1.00 0.44 H new ATOM 0 HB2 GLN A 600 6.845 8.655 10.966 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.046 7.493 10.437 1.00 0.59 H new ATOM 0 HG2 GLN A 600 7.939 8.518 8.137 1.00 0.85 H new ATOM 0 HG3 GLN A 600 6.857 9.739 8.775 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.636 11.306 10.276 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.367 11.605 10.461 1.00 1.34 H new ATOM 1621 N LEU A 601 3.863 8.000 10.132 1.00 0.37 N ATOM 1622 CA LEU A 601 2.611 8.681 9.837 1.00 0.34 C ATOM 1623 C LEU A 601 2.699 10.166 10.168 1.00 0.39 C ATOM 1624 O LEU A 601 2.434 10.587 11.296 1.00 0.46 O ATOM 1625 CB LEU A 601 1.451 8.035 10.599 1.00 0.36 C ATOM 1626 CG LEU A 601 1.176 6.569 10.247 1.00 0.34 C ATOM 1627 CD1 LEU A 601 -0.025 6.049 11.019 1.00 0.46 C ATOM 1628 CD2 LEU A 601 0.955 6.407 8.751 1.00 0.32 C ATOM 0 H LEU A 601 3.914 7.587 11.063 1.00 0.37 H new ATOM 0 HA LEU A 601 2.424 8.582 8.768 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.656 8.103 11.667 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.546 8.613 10.410 1.00 0.36 H new ATOM 0 HG LEU A 601 2.050 5.982 10.531 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.204 5.007 10.755 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.170 6.124 12.089 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.904 6.643 10.768 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.762 5.359 8.523 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.101 7.009 8.442 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.844 6.737 8.214 1.00 0.32 H new ATOM 1640 N LYS A 602 3.079 10.951 9.170 1.00 0.41 N ATOM 1641 CA LYS A 602 3.156 12.399 9.306 1.00 0.48 C ATOM 1642 C LYS A 602 1.767 13.019 9.227 1.00 0.46 C ATOM 1643 O LYS A 602 1.572 14.187 9.554 1.00 0.51 O ATOM 1644 CB LYS A 602 4.052 12.980 8.211 1.00 0.59 C ATOM 1645 CG LYS A 602 5.515 12.590 8.352 1.00 0.69 C ATOM 1646 CD LYS A 602 6.315 12.946 7.108 1.00 0.93 C ATOM 1647 CE LYS A 602 6.262 14.432 6.801 1.00 1.49 C ATOM 1648 NZ LYS A 602 6.979 14.760 5.540 1.00 1.73 N ATOM 0 H LYS A 602 3.342 10.605 8.247 1.00 0.41 H new ATOM 0 HA LYS A 602 3.585 12.634 10.280 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.687 12.646 7.240 1.00 0.59 H new ATOM 0 HB3 LYS A 602 3.971 14.067 8.225 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.944 13.095 9.217 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.590 11.519 8.538 1.00 0.69 H new ATOM 0 HD2 LYS A 602 7.353 12.641 7.245 1.00 0.93 H new ATOM 0 HD3 LYS A 602 5.928 12.386 6.256 1.00 0.93 H new ATOM 0 HE2 LYS A 602 5.222 14.750 6.722 1.00 1.49 H new ATOM 0 HE3 LYS A 602 6.704 14.990 7.626 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 6.907 15.781 5.355 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.980 14.495 5.631 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 6.552 14.234 4.751 1.00 1.73 H new ATOM 1662 N LYS A 603 0.807 12.224 8.781 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.577 12.660 8.694 1.00 0.48 C ATOM 1664 C LYS A 603 -1.459 11.728 9.513 1.00 0.54 C ATOM 1665 O LYS A 603 -1.221 10.518 9.548 1.00 0.62 O ATOM 1666 CB LYS A 603 -1.050 12.670 7.235 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.276 13.619 6.332 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.319 15.048 6.847 1.00 0.79 C ATOM 1669 CE LYS A 603 0.353 16.010 5.881 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.413 16.148 4.612 1.00 1.69 N ATOM 0 H LYS A 603 0.964 11.265 8.471 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.649 13.673 9.089 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.972 11.660 6.833 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -2.105 12.942 7.209 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.760 13.289 6.261 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.692 13.583 5.325 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.355 15.349 7.000 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.175 15.101 7.817 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.453 16.987 6.353 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.361 15.658 5.660 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.078 16.812 3.980 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.487 15.220 4.148 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.366 16.508 4.819 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.473 12.276 10.201 1.00 0.67 N ATOM 1685 CA PRO A 604 -3.422 11.474 10.975 1.00 0.81 C ATOM 1686 C PRO A 604 -4.292 10.610 10.072 1.00 0.80 C ATOM 1687 O PRO A 604 -4.591 10.986 8.936 1.00 1.21 O ATOM 1688 CB PRO A 604 -4.275 12.514 11.702 1.00 1.01 C ATOM 1689 CG PRO A 604 -4.158 13.748 10.874 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.776 13.718 10.283 1.00 0.82 C ATOM 0 HA PRO A 604 -2.919 10.783 11.651 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -5.312 12.189 11.783 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.914 12.683 12.717 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.917 13.767 10.092 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -4.304 14.641 11.481 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.748 14.191 9.302 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -2.058 14.245 10.912 1.00 0.82 H new ATOM 1698 N GLY A 605 -4.703 9.460 10.578 1.00 0.68 N ATOM 1699 CA GLY A 605 -5.488 8.549 9.787 1.00 0.80 C ATOM 1700 C GLY A 605 -6.690 8.037 10.538 1.00 0.84 C ATOM 1701 O GLY A 605 -6.906 8.380 11.700 1.00 1.23 O ATOM 0 H GLY A 605 -4.504 9.143 11.527 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -5.816 9.050 8.877 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -4.867 7.707 9.481 1.00 0.80 H new ATOM 1705 N LYS A 606 -7.464 7.214 9.866 1.00 0.92 N ATOM 1706 CA LYS A 606 -8.653 6.614 10.450 1.00 1.10 C ATOM 1707 C LYS A 606 -8.276 5.280 11.081 1.00 0.81 C ATOM 1708 O LYS A 606 -7.260 4.688 10.714 1.00 0.82 O ATOM 1709 CB LYS A 606 -9.714 6.388 9.365 1.00 1.50 C ATOM 1710 CG LYS A 606 -9.836 7.530 8.365 1.00 1.82 C ATOM 1711 CD LYS A 606 -10.241 8.836 9.029 1.00 2.34 C ATOM 1712 CE LYS A 606 -10.271 9.980 8.027 1.00 2.84 C ATOM 1713 NZ LYS A 606 -8.935 10.228 7.415 1.00 3.47 N ATOM 0 H LYS A 606 -7.291 6.939 8.899 1.00 0.92 H new ATOM 0 HA LYS A 606 -9.061 7.281 11.209 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -9.476 5.471 8.826 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -10.681 6.234 9.844 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -8.883 7.665 7.853 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -10.572 7.268 7.605 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -11.224 8.724 9.486 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -9.541 9.071 9.831 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -10.992 9.754 7.242 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -10.615 10.887 8.524 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -8.897 11.200 7.047 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -8.195 10.101 8.134 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -8.780 9.557 6.636 1.00 3.47 H new ATOM 1727 N ASN A 607 -9.064 4.819 12.046 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.842 3.508 12.643 1.00 0.48 C ATOM 1729 C ASN A 607 -8.997 2.415 11.595 1.00 0.43 C ATOM 1730 O ASN A 607 -10.052 2.279 10.972 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.814 3.270 13.799 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.665 1.885 14.399 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.320 0.938 13.965 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -8.809 1.755 15.400 1.00 1.33 N ATOM 0 H ASN A 607 -9.858 5.331 12.430 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.825 3.479 13.034 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.646 4.019 14.573 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.836 3.402 13.445 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -8.674 0.845 15.840 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.285 2.565 15.731 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.946 1.631 11.420 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.879 0.662 10.338 1.00 0.22 C ATOM 1743 C VAL A 608 -8.723 -0.589 10.621 1.00 0.21 C ATOM 1744 O VAL A 608 -9.187 -1.252 9.693 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.413 0.269 10.062 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.314 -0.665 8.874 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.566 1.512 9.831 1.00 0.27 C ATOM 0 H VAL A 608 -7.121 1.647 12.019 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.298 1.139 9.452 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.033 -0.257 10.938 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.270 -0.926 8.702 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.886 -1.571 9.075 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.715 -0.171 7.989 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.534 1.218 9.638 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.954 2.062 8.974 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.603 2.147 10.716 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.938 -0.905 11.894 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.777 -2.048 12.260 1.00 0.33 C ATOM 1759 C ALA A 609 -11.200 -1.862 11.734 1.00 0.32 C ATOM 1760 O ALA A 609 -11.856 -2.812 11.285 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.785 -2.245 13.768 1.00 0.44 C ATOM 0 H ALA A 609 -8.548 -0.393 12.685 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.357 -2.942 11.800 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.414 -3.099 14.020 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.768 -2.428 14.116 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.178 -1.350 14.250 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.659 -0.620 11.762 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.972 -0.279 11.240 1.00 0.35 C ATOM 1769 C ALA A 610 -13.018 -0.502 9.734 1.00 0.30 C ATOM 1770 O ALA A 610 -14.070 -0.801 9.170 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.314 1.162 11.576 1.00 0.40 C ATOM 0 H ALA A 610 -11.139 0.171 12.142 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.713 -0.928 11.707 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.300 1.404 11.179 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.316 1.293 12.658 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.571 1.825 11.132 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.862 -0.368 9.093 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.754 -0.589 7.660 1.00 0.23 C ATOM 1779 C ILE A 611 -11.892 -2.083 7.356 1.00 0.22 C ATOM 1780 O ILE A 611 -12.377 -2.471 6.295 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.417 -0.044 7.097 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.313 1.459 7.375 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.317 -0.307 5.600 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -9.006 2.072 6.930 1.00 0.23 C ATOM 0 H ILE A 611 -10.986 -0.107 9.546 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.561 -0.043 7.171 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.594 -0.560 7.592 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -11.133 1.970 6.871 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.439 1.631 8.444 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.371 0.083 5.224 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.366 -1.380 5.415 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -11.142 0.187 5.088 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -9.007 3.137 7.160 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.181 1.589 7.453 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.886 1.933 5.856 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.472 -2.923 8.305 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.675 -4.367 8.186 1.00 0.24 C ATOM 1798 C ILE A 612 -13.162 -4.666 8.109 1.00 0.27 C ATOM 1799 O ILE A 612 -13.614 -5.445 7.265 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.094 -5.141 9.392 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.621 -4.802 9.607 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.263 -6.640 9.184 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.034 -5.414 10.860 1.00 0.31 C ATOM 0 H ILE A 612 -10.993 -2.631 9.157 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.157 -4.690 7.283 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.644 -4.840 10.284 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.049 -5.143 8.744 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.510 -3.719 9.656 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -10.850 -7.175 10.039 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.322 -6.876 9.085 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -10.737 -6.943 8.279 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -7.985 -5.130 10.947 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.581 -5.054 11.731 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.113 -6.500 10.806 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.921 -4.012 8.975 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.369 -4.169 8.993 1.00 0.35 C ATOM 1817 C GLN A 613 -15.980 -3.615 7.710 1.00 0.34 C ATOM 1818 O GLN A 613 -17.018 -4.083 7.240 1.00 0.37 O ATOM 1819 CB GLN A 613 -15.956 -3.468 10.218 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.382 -3.974 11.532 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.744 -5.422 11.818 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -15.959 -6.223 10.907 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.797 -5.772 13.088 1.00 2.31 N ATOM 0 H GLN A 613 -13.558 -3.366 9.676 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.608 -5.231 9.053 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.772 -2.397 10.138 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.037 -3.607 10.224 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.297 -3.874 11.511 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -15.744 -3.347 12.346 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -15.613 -5.081 13.816 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.022 -6.734 13.343 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.312 -2.618 7.154 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.718 -2.018 5.888 1.00 0.33 C ATOM 1834 C ASP A 614 -15.574 -3.026 4.747 1.00 0.30 C ATOM 1835 O ASP A 614 -16.480 -3.185 3.927 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.885 -0.768 5.603 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.246 -0.113 4.288 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.580 -0.401 3.277 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.194 0.704 4.268 1.00 1.09 O ATOM 0 H ASP A 614 -14.476 -2.201 7.563 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.766 -1.729 5.962 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -15.025 -0.051 6.412 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.828 -1.035 5.593 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.445 -3.728 4.718 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.186 -4.736 3.694 1.00 0.27 C ATOM 1846 C ILE A 615 -15.161 -5.899 3.819 1.00 0.32 C ATOM 1847 O ILE A 615 -15.660 -6.416 2.822 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.760 -5.293 3.812 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.741 -4.175 3.648 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.527 -6.374 2.770 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.338 -4.601 3.985 1.00 0.18 C ATOM 0 H ILE A 615 -13.691 -3.617 5.396 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.311 -4.246 2.728 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.640 -5.732 4.802 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.768 -3.815 2.620 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.023 -3.338 4.286 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.512 -6.759 2.866 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.239 -7.185 2.922 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.663 -5.954 1.773 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.659 -3.759 3.848 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.298 -4.934 5.022 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.039 -5.419 3.329 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.414 -6.312 5.052 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.349 -7.399 5.319 1.00 0.46 C ATOM 1865 C HIS A 616 -17.776 -6.988 4.970 1.00 0.44 C ATOM 1866 O HIS A 616 -18.613 -7.832 4.642 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.252 -7.851 6.776 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.064 -8.725 7.047 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -13.742 -8.436 7.087 1.00 1.26 N flip ATOM 1870 CD2 HIS A 616 -15.165 -10.072 7.316 1.00 0.76 C flip ATOM 1871 CE1 HIS A 616 -13.081 -9.599 7.379 1.00 1.24 C flip ATOM 1872 NE2 HIS A 616 -13.960 -10.571 7.514 1.00 0.82 N flip ATOM 0 H HIS A 616 -14.985 -5.911 5.886 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.078 -8.242 4.684 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.203 -6.973 7.419 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.160 -8.391 7.043 1.00 0.59 H new ATOM 0 HD1 HIS A 616 -13.317 -7.522 6.929 1.00 1.26 H new ATOM 0 HD2 HIS A 616 -16.087 -10.632 7.358 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -12.011 -9.703 7.482 1.00 1.24 H new ATOM 1881 N SER A 617 -18.050 -5.688 5.034 1.00 0.45 N ATOM 1882 CA SER A 617 -19.319 -5.154 4.567 1.00 0.51 C ATOM 1883 C SER A 617 -19.415 -5.340 3.052 1.00 0.49 C ATOM 1884 O SER A 617 -20.510 -5.404 2.488 1.00 0.57 O ATOM 1885 CB SER A 617 -19.458 -3.675 4.945 1.00 0.58 C ATOM 1886 OG SER A 617 -20.777 -3.202 4.722 1.00 1.18 O ATOM 0 H SER A 617 -17.408 -4.988 5.405 1.00 0.45 H new ATOM 0 HA SER A 617 -20.135 -5.694 5.047 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.195 -3.540 5.994 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.754 -3.082 4.361 1.00 0.58 H new ATOM 0 HG SER A 617 -20.833 -2.257 4.974 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.234 -5.434 2.427 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.073 -5.758 1.008 1.00 0.58 C ATOM 1894 C GLN A 618 -18.249 -4.531 0.125 1.00 1.36 C ATOM 1895 O GLN A 618 -19.359 -4.052 -0.101 1.00 2.14 O ATOM 1896 CB GLN A 618 -19.003 -6.906 0.589 1.00 1.70 C ATOM 1897 CG GLN A 618 -18.650 -8.224 1.265 1.00 2.78 C ATOM 1898 CD GLN A 618 -19.725 -9.281 1.116 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -20.461 -9.309 0.128 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -19.819 -10.162 2.100 1.00 4.68 N ATOM 0 H GLN A 618 -17.346 -5.283 2.906 1.00 0.49 H new ATOM 0 HA GLN A 618 -17.049 -6.103 0.865 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -20.032 -6.642 0.832 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -18.953 -7.032 -0.493 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.718 -8.602 0.844 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -18.472 -8.044 2.325 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -19.189 -10.102 2.900 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -20.521 -10.901 2.058 1.00 4.68 H new ATOM 1909 N ARG A 619 -17.123 -4.031 -0.373 1.00 2.22 N ATOM 1910 CA ARG A 619 -17.095 -2.840 -1.210 1.00 3.46 C ATOM 1911 C ARG A 619 -17.072 -3.225 -2.683 1.00 4.18 C ATOM 1912 O ARG A 619 -16.502 -2.517 -3.517 1.00 4.57 O ATOM 1913 CB ARG A 619 -15.864 -1.990 -0.883 1.00 4.18 C ATOM 1914 CG ARG A 619 -15.796 -1.522 0.562 1.00 4.41 C ATOM 1915 CD ARG A 619 -16.971 -0.626 0.919 1.00 5.33 C ATOM 1916 NE ARG A 619 -17.076 0.530 0.026 1.00 6.03 N ATOM 1917 CZ ARG A 619 -17.909 1.552 0.222 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -18.712 1.570 1.279 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -17.936 2.557 -0.643 1.00 7.77 N ATOM 0 H ARG A 619 -16.204 -4.441 -0.207 1.00 2.22 H new ATOM 0 HA ARG A 619 -17.995 -2.259 -1.009 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -14.967 -2.567 -1.109 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -15.855 -1.118 -1.537 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -15.784 -2.387 1.225 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -14.864 -0.982 0.726 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -17.894 -1.204 0.872 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -16.863 -0.280 1.947 1.00 5.33 H new ATOM 0 HE ARG A 619 -16.474 0.555 -0.797 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -18.694 0.799 1.947 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -19.347 2.355 1.424 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -17.320 2.547 -1.456 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -18.573 3.340 -0.495 1.00 7.77 H new ATOM 1933 N GLU A 620 -17.681 -4.353 -2.997 1.00 4.80 N ATOM 1934 CA GLU A 620 -17.731 -4.837 -4.364 1.00 5.84 C ATOM 1935 C GLU A 620 -19.157 -5.216 -4.729 1.00 6.68 C ATOM 1936 O GLU A 620 -19.666 -6.239 -4.270 1.00 7.20 O ATOM 1937 CB GLU A 620 -16.792 -6.031 -4.538 1.00 6.43 C ATOM 1938 CG GLU A 620 -16.677 -6.507 -5.976 1.00 6.93 C ATOM 1939 CD GLU A 620 -15.645 -7.599 -6.146 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -15.976 -8.778 -5.910 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -14.495 -7.288 -6.518 1.00 7.86 O ATOM 0 H GLU A 620 -18.150 -4.954 -2.320 1.00 4.80 H new ATOM 0 HA GLU A 620 -17.401 -4.043 -5.034 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -15.801 -5.760 -4.173 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -17.146 -6.855 -3.918 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -17.647 -6.873 -6.312 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -16.416 -5.663 -6.615 1.00 6.93 H new ATOM 1948 N ARG A 621 -19.792 -4.371 -5.543 1.00 7.11 N ATOM 1949 CA ARG A 621 -21.185 -4.553 -5.946 1.00 8.13 C ATOM 1950 C ARG A 621 -22.106 -4.429 -4.739 1.00 9.01 C ATOM 1951 O ARG A 621 -22.449 -3.287 -4.367 1.00 9.48 O ATOM 1952 CB ARG A 621 -21.392 -5.906 -6.634 1.00 8.49 C ATOM 1953 CG ARG A 621 -20.606 -6.067 -7.923 1.00 8.97 C ATOM 1954 CD ARG A 621 -20.715 -7.483 -8.457 1.00 9.41 C ATOM 1955 NE ARG A 621 -20.010 -7.649 -9.726 1.00 9.86 N ATOM 1956 CZ ARG A 621 -19.278 -8.718 -10.038 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -19.091 -9.686 -9.147 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -18.716 -8.805 -11.232 1.00 11.00 N ATOM 1959 OXT ARG A 621 -22.479 -5.468 -4.157 1.00 9.43 O ATOM 0 H ARG A 621 -19.353 -3.541 -5.941 1.00 7.11 H new ATOM 0 HA ARG A 621 -21.432 -3.769 -6.662 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -21.107 -6.701 -5.944 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -22.453 -6.035 -6.848 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -20.977 -5.364 -8.669 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -19.559 -5.821 -7.747 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -20.308 -8.179 -7.723 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -21.766 -7.739 -8.591 1.00 9.41 H new ATOM 0 HE ARG A 621 -20.083 -6.901 -10.415 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -19.509 -9.613 -8.219 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -18.530 -10.502 -9.391 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -18.843 -8.055 -11.911 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -18.155 -9.622 -11.473 1.00 11.00 H new TER 1973 ARG A 621