USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=35 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+ 164:sc= 2.46 (180deg=1.07) USER MOD Set 1.2: B 5 U O2' : rot 31:sc= 1.38 USER MOD Set 2.1: A 602 LYS NZ :NH3+ 170:sc= 0.312 (180deg=0) USER MOD Set 2.2: B 4 U O2' : rot 130:sc= 1.08 USER MOD Set 3.1: A 535 ASN : amide:sc= -0.723 K(o=-0.55,f=-5.3!) USER MOD Set 3.2: A 539 ASN : amide:sc= -2.09 K(o=-0.55,f=-4.8) USER MOD Set 3.3: A 618 GLN : amide:sc= 2.26 K(o=-0.55,f=-4.8) USER MOD Set 4.1: A 531 SER OG : rot 140:sc= 0.52 USER MOD Set 4.2: A 584 ASN : amide:sc= 0.533 K(o=1.1,f=0.54!) USER MOD Set 5.1: A 553 MET CE :methyl -113:sc= -1.2 (180deg=-1.18) USER MOD Set 5.2: A 556 THR OG1 : rot 15:sc= -0.189 USER MOD Set 6.1: A 523 HIS : no HD1:sc= -2.73 K(o=-2.4,f=-5.6!) USER MOD Set 6.2: A 558 GLN : amide:sc= 0.199 K(o=-2.4,f=-4.4!) USER MOD Set 6.3: B 2 U O2' : rot 22:sc= 0.0975 USER MOD Single : A 512 MET CE :methyl 143:sc= -0.198 (180deg=-0.828) USER MOD Single : A 514 GLN : amide:sc= -0.382 K(o=-0.38,f=-3.8!) USER MOD Single : A 516 LYS NZ :NH3+ 175:sc= -0.76 (180deg=-0.81) USER MOD Single : A 525 CYS SG : rot 150:sc= -0.397! USER MOD Single : A 526 ASN : amide:sc= 0.468 K(o=0.47,f=-3.6!) USER MOD Single : A 532 CYS SG : rot 46:sc= -0.538 USER MOD Single : A 533 THR OG1 : rot -110:sc= 1.97 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.00368 USER MOD Single : A 549 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.2!) USER MOD Single : A 550 TYR OH : rot 0:sc= -1.45 USER MOD Single : A 554 LYS NZ :NH3+ 160:sc= -0.102 (180deg=-0.442) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 563 MET CE :methyl -177:sc= -5.39! (180deg=-5.46!) 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= -0.644 K(o=-0.64,f=-1.5) USER MOD Single : A 572 MET CE :methyl 159:sc= -3.34 (180deg=-4.56!) USER MOD Single : A 574 GLN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot -145:sc= -0.69 USER MOD Single : A 577 GLN : amide:sc= -2.72! K(o=-2.7!,f=-1.2) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ -168:sc= -0.0236 (180deg=-0.191) USER MOD Single : A 592 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 593 SER OG : rot 73:sc= 1.04 USER MOD Single : A 594 THR OG1 : rot -87:sc= 0.0681 USER MOD Single : A 596 TYR OH : rot 10:sc= 0.566 USER MOD Single : A 597 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0198) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 140:sc= -0.209 (180deg=-1.39) USER MOD Single : A 607 ASN : amide:sc= -0.66 K(o=-0.66,f=-9.4!) USER MOD Single : A 613 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.083) USER MOD Single : A 616 HIS : no HD1:sc= -1.58! K(o=-1.6!,f=0.49) USER MOD Single : A 617 SER OG : rot 69:sc= 0.892 USER MOD Single : B 1 ADN O2' : rot -69:sc= 1.21 USER MOD Single : B 1 ADN O5' : rot -69:sc= 1.62 USER MOD Single : B 3 C O2' : rot 13:sc= -1.05 USER MOD Single : B 6 A O2' : rot 180:sc= 0 USER MOD Single : B 6 A O3' : rot 130:sc= 0.158 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 5.966 -1.433 -13.139 1.00 3.64 O HETATM 2 C5' ADN B 1 7.391 -1.427 -13.265 1.00 3.04 C HETATM 3 C4' ADN B 1 7.858 -0.323 -14.185 1.00 2.61 C HETATM 4 O4' ADN B 1 6.758 0.046 -15.062 1.00 3.25 O HETATM 5 C3' ADN B 1 8.287 0.961 -13.482 1.00 2.05 C HETATM 6 O3' ADN B 1 9.459 1.514 -14.070 1.00 2.33 O HETATM 7 C2' ADN B 1 7.088 1.892 -13.626 1.00 2.68 C HETATM 8 O2' ADN B 1 7.476 3.246 -13.753 1.00 3.28 O HETATM 9 C1' ADN B 1 6.475 1.424 -14.942 1.00 3.33 C HETATM 10 N9 ADN B 1 5.026 1.613 -14.982 1.00 4.21 N HETATM 11 C8 ADN B 1 4.052 0.649 -14.931 1.00 4.58 C HETATM 12 N7 ADN B 1 2.832 1.129 -14.933 1.00 5.53 N HETATM 13 C5 ADN B 1 3.016 2.503 -14.990 1.00 5.90 C HETATM 14 C6 ADN B 1 2.110 3.576 -15.017 1.00 7.05 C HETATM 15 N6 ADN B 1 0.785 3.421 -14.992 1.00 7.92 N HETATM 16 N1 ADN B 1 2.620 4.826 -15.074 1.00 7.44 N HETATM 17 C2 ADN B 1 3.951 4.975 -15.099 1.00 6.72 C HETATM 18 N3 ADN B 1 4.904 4.044 -15.077 1.00 5.56 N HETATM 19 C4 ADN B 1 4.363 2.816 -15.021 1.00 5.16 C HETATM 0 HO5' ADN B 1 5.678 -0.640 -12.641 1.00 3.64 H new HETATM 0 HO2' ADN B 1 7.843 3.563 -12.901 1.00 3.28 H new HETATM 0 HN62 ADN B 1 0.175 4.239 -15.014 1.00 7.92 H new HETATM 0 HN61 ADN B 1 0.382 2.485 -14.951 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 7.844 -1.300 -12.282 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 7.728 -2.390 -13.649 1.00 3.04 H new HETATM 0 H8 ADN B 1 4.272 -0.418 -14.892 1.00 4.58 H new HETATM 0 H4' ADN B 1 8.728 -0.728 -14.703 1.00 2.61 H new HETATM 0 H3' ADN B 1 8.550 0.791 -12.438 1.00 2.05 H new HETATM 0 H2' ADN B 1 6.425 1.852 -12.762 1.00 2.68 H new HETATM 0 H2 ADN B 1 4.305 6.005 -15.144 1.00 6.72 H new HETATM 0 H1' ADN B 1 6.898 2.011 -15.758 1.00 3.33 H new ATOM 32 P U B 2 10.547 2.225 -13.125 1.00 2.37 P ATOM 33 OP1 U B 2 10.504 3.688 -13.381 1.00 2.99 O ATOM 34 OP2 U B 2 11.827 1.486 -13.278 1.00 2.93 O ATOM 35 O5' U B 2 10.005 1.957 -11.650 1.00 2.04 O ATOM 36 C5' U B 2 10.387 2.788 -10.555 1.00 1.73 C ATOM 37 C4' U B 2 9.438 3.958 -10.425 1.00 1.24 C ATOM 38 O4' U B 2 8.216 3.661 -11.156 1.00 1.07 O ATOM 39 C3' U B 2 8.989 4.279 -9.003 1.00 0.95 C ATOM 40 O3' U B 2 8.811 5.679 -8.826 1.00 0.97 O ATOM 41 C2' U B 2 7.667 3.533 -8.875 1.00 0.83 C ATOM 42 O2' U B 2 6.803 4.140 -7.934 1.00 1.12 O ATOM 43 C1' U B 2 7.110 3.736 -10.281 1.00 0.74 C ATOM 44 N1 U B 2 6.119 2.730 -10.694 1.00 0.76 N ATOM 45 C2 U B 2 4.997 3.173 -11.372 1.00 1.11 C ATOM 46 O2 U B 2 4.797 4.348 -11.629 1.00 1.49 O ATOM 47 N3 U B 2 4.120 2.189 -11.750 1.00 1.23 N ATOM 48 C4 U B 2 4.245 0.836 -11.525 1.00 1.12 C ATOM 49 O4 U B 2 3.366 0.072 -11.928 1.00 1.35 O ATOM 50 C5 U B 2 5.430 0.457 -10.819 1.00 1.05 C ATOM 51 C6 U B 2 6.308 1.390 -10.434 1.00 0.89 C ATOM 0 H5' U B 2 11.404 3.151 -10.703 1.00 1.73 H new ATOM 0 H5'' U B 2 10.387 2.207 -9.632 1.00 1.73 H new ATOM 0 H4' U B 2 10.001 4.810 -10.807 1.00 1.24 H new ATOM 0 H3' U B 2 9.717 3.983 -8.248 1.00 0.95 H new ATOM 0 H2' U B 2 7.773 2.501 -8.541 1.00 0.83 H new ATOM 0 HO2' U B 2 7.058 5.078 -7.813 1.00 1.12 H new ATOM 0 H1' U B 2 6.588 4.693 -10.304 1.00 0.74 H new ATOM 0 H3 U B 2 3.285 2.492 -12.252 1.00 1.23 H new ATOM 0 H5 U B 2 5.616 -0.583 -10.597 1.00 1.05 H new ATOM 0 H6 U B 2 7.196 1.082 -9.901 1.00 0.89 H new ATOM 62 P C B 3 10.056 6.609 -8.419 1.00 1.05 P ATOM 63 OP1 C B 3 9.825 7.947 -9.019 1.00 1.58 O ATOM 64 OP2 C B 3 11.313 5.875 -8.719 1.00 1.17 O ATOM 65 O5' C B 3 9.925 6.750 -6.838 1.00 1.07 O ATOM 66 C5' C B 3 8.807 7.416 -6.258 1.00 0.98 C ATOM 67 C4' C B 3 8.537 6.875 -4.877 1.00 0.86 C ATOM 68 O4' C B 3 8.306 5.441 -4.972 1.00 0.90 O ATOM 69 C3' C B 3 9.677 7.047 -3.876 1.00 0.69 C ATOM 70 O3' C B 3 9.180 7.398 -2.591 1.00 0.87 O ATOM 71 C2' C B 3 10.355 5.682 -3.855 1.00 0.63 C ATOM 72 O2' C B 3 10.941 5.404 -2.599 1.00 0.82 O ATOM 73 C1' C B 3 9.149 4.772 -4.059 1.00 0.75 C ATOM 74 N1 C B 3 9.487 3.444 -4.593 1.00 0.69 N ATOM 75 C2 C B 3 9.151 2.316 -3.843 1.00 0.96 C ATOM 76 O2 C B 3 8.578 2.472 -2.754 1.00 1.32 O ATOM 77 N3 C B 3 9.465 1.089 -4.314 1.00 0.95 N ATOM 78 C4 C B 3 10.090 0.963 -5.486 1.00 0.70 C ATOM 79 N4 C B 3 10.379 -0.270 -5.907 1.00 0.76 N ATOM 80 C5 C B 3 10.444 2.097 -6.276 1.00 0.69 C ATOM 81 C6 C B 3 10.127 3.306 -5.795 1.00 0.67 C ATOM 0 H5' C B 3 7.927 7.281 -6.888 1.00 0.98 H new ATOM 0 H5'' C B 3 9.000 8.487 -6.205 1.00 0.98 H new ATOM 0 H4' C B 3 7.683 7.447 -4.514 1.00 0.86 H new ATOM 0 H3' C B 3 10.363 7.848 -4.152 1.00 0.69 H new ATOM 0 H2' C B 3 11.161 5.582 -4.582 1.00 0.63 H new ATOM 0 HO2' C B 3 10.617 6.050 -1.937 1.00 0.82 H new ATOM 0 H1' C B 3 8.682 4.587 -3.092 1.00 0.75 H new ATOM 0 H41 C B 3 10.856 -0.406 -6.798 1.00 0.76 H new ATOM 0 H42 C B 3 10.123 -1.076 -5.338 1.00 0.76 H new ATOM 0 H5 C B 3 10.948 1.985 -7.225 1.00 0.69 H new ATOM 0 H6 C B 3 10.381 4.187 -6.365 1.00 0.67 H new ATOM 93 P U B 4 8.998 8.946 -2.203 1.00 0.75 P ATOM 94 OP1 U B 4 8.271 9.606 -3.317 1.00 1.02 O ATOM 95 OP2 U B 4 10.320 9.473 -1.778 1.00 1.15 O ATOM 96 O5' U B 4 8.038 8.916 -0.933 1.00 0.71 O ATOM 97 C5' U B 4 8.138 9.918 0.072 1.00 0.76 C ATOM 98 C4' U B 4 6.795 10.155 0.716 1.00 0.65 C ATOM 99 O4' U B 4 6.598 9.173 1.773 1.00 0.61 O ATOM 100 C3' U B 4 6.646 11.512 1.393 1.00 0.67 C ATOM 101 O3' U B 4 5.309 11.983 1.308 1.00 0.79 O ATOM 102 C2' U B 4 7.042 11.223 2.835 1.00 0.63 C ATOM 103 O2' U B 4 6.446 12.129 3.741 1.00 0.77 O ATOM 104 C1' U B 4 6.420 9.842 3.006 1.00 0.58 C ATOM 105 N1 U B 4 7.040 9.051 4.081 1.00 0.58 N ATOM 106 C2 U B 4 6.665 9.337 5.380 1.00 0.66 C ATOM 107 O2 U B 4 5.836 10.185 5.663 1.00 0.71 O ATOM 108 N3 U B 4 7.295 8.589 6.342 1.00 0.75 N ATOM 109 C4 U B 4 8.239 7.606 6.142 1.00 0.79 C ATOM 110 O4 U B 4 8.717 7.020 7.116 1.00 0.93 O ATOM 111 C5 U B 4 8.568 7.367 4.771 1.00 0.72 C ATOM 112 C6 U B 4 7.975 8.079 3.807 1.00 0.62 C ATOM 0 H5' U B 4 8.507 10.845 -0.366 1.00 0.76 H new ATOM 0 H5'' U B 4 8.862 9.613 0.828 1.00 0.76 H new ATOM 0 H4' U B 4 6.074 10.090 -0.099 1.00 0.65 H new ATOM 0 H3' U B 4 7.253 12.291 0.932 1.00 0.67 H new ATOM 0 H2' U B 4 8.113 11.297 3.025 1.00 0.63 H new ATOM 0 HO2' U B 4 6.012 11.630 4.465 1.00 0.77 H new ATOM 0 H1' U B 4 5.372 9.957 3.284 1.00 0.58 H new ATOM 0 H3 U B 4 7.037 8.781 7.310 1.00 0.75 H new ATOM 0 H5 U B 4 9.296 6.611 4.514 1.00 0.72 H new ATOM 0 H6 U B 4 8.239 7.885 2.778 1.00 0.62 H new ATOM 123 P U B 5 5.005 13.560 1.334 1.00 0.85 P ATOM 124 OP1 U B 5 6.149 14.253 0.685 1.00 1.03 O ATOM 125 OP2 U B 5 4.598 13.933 2.711 1.00 1.33 O ATOM 126 O5' U B 5 3.740 13.709 0.380 1.00 0.85 O ATOM 127 C5' U B 5 3.205 12.574 -0.295 1.00 0.75 C ATOM 128 C4' U B 5 1.761 12.372 0.092 1.00 0.55 C ATOM 129 O4' U B 5 1.684 11.389 1.161 1.00 0.43 O ATOM 130 C3' U B 5 1.041 13.613 0.611 1.00 0.55 C ATOM 131 O3' U B 5 -0.268 13.702 0.059 1.00 0.57 O ATOM 132 C2' U B 5 1.006 13.418 2.123 1.00 0.48 C ATOM 133 O2' U B 5 -0.135 14.009 2.714 1.00 0.53 O ATOM 134 C1' U B 5 0.887 11.900 2.209 1.00 0.37 C ATOM 135 N1 U B 5 1.336 11.329 3.484 1.00 0.37 N ATOM 136 C2 U B 5 0.397 10.674 4.262 1.00 0.37 C ATOM 137 O2 U B 5 -0.770 10.544 3.927 1.00 0.40 O ATOM 138 N3 U B 5 0.872 10.168 5.446 1.00 0.43 N ATOM 139 C4 U B 5 2.162 10.249 5.922 1.00 0.48 C ATOM 140 O4 U B 5 2.435 9.753 7.015 1.00 0.56 O ATOM 141 C5 U B 5 3.071 10.940 5.061 1.00 0.49 C ATOM 142 C6 U B 5 2.644 11.444 3.900 1.00 0.44 C ATOM 0 H5' U B 5 3.784 11.686 -0.044 1.00 0.75 H new ATOM 0 H5'' U B 5 3.284 12.712 -1.373 1.00 0.75 H new ATOM 0 H4' U B 5 1.273 12.065 -0.833 1.00 0.55 H new ATOM 0 H3' U B 5 1.539 14.542 0.332 1.00 0.55 H new ATOM 0 H2' U B 5 1.859 13.863 2.635 1.00 0.48 H new ATOM 0 HO2' U B 5 -0.880 13.991 2.077 1.00 0.53 H new ATOM 0 H1' U B 5 -0.166 11.629 2.131 1.00 0.37 H new ATOM 0 H3 U B 5 0.198 9.680 6.036 1.00 0.43 H new ATOM 0 H5 U B 5 4.105 11.055 5.350 1.00 0.49 H new ATOM 0 H6 U B 5 3.349 11.960 3.265 1.00 0.44 H new ATOM 153 P A B 6 -0.951 15.135 -0.189 1.00 0.96 P ATOM 154 OP1 A B 6 -1.811 15.036 -1.395 1.00 1.91 O ATOM 155 OP2 A B 6 0.118 16.160 -0.139 1.00 1.79 O ATOM 156 O5' A B 6 -1.889 15.329 1.084 1.00 1.70 O ATOM 157 C5' A B 6 -2.916 16.318 1.095 1.00 2.27 C ATOM 158 C4' A B 6 -2.529 17.464 2.000 1.00 2.74 C ATOM 159 O4' A B 6 -1.091 17.433 2.227 1.00 2.62 O ATOM 160 C3' A B 6 -2.814 18.855 1.442 1.00 3.36 C ATOM 161 O3' A B 6 -3.145 19.779 2.480 1.00 4.05 O ATOM 162 C2' A B 6 -1.499 19.225 0.766 1.00 3.45 C ATOM 163 O2' A B 6 -1.323 20.626 0.678 1.00 4.23 O ATOM 164 C1' A B 6 -0.516 18.644 1.779 1.00 3.13 C ATOM 165 N9 A B 6 0.814 18.361 1.239 1.00 3.07 N ATOM 166 C8 A B 6 1.292 18.621 -0.022 1.00 3.68 C ATOM 167 N7 A B 6 2.536 18.247 -0.205 1.00 3.79 N ATOM 168 C5 A B 6 2.902 17.704 1.018 1.00 3.15 C ATOM 169 C6 A B 6 4.100 17.129 1.478 1.00 3.12 C ATOM 170 N6 A B 6 5.196 16.993 0.727 1.00 3.76 N ATOM 171 N1 A B 6 4.133 16.686 2.752 1.00 2.64 N ATOM 172 C2 A B 6 3.036 16.816 3.505 1.00 2.25 C ATOM 173 N3 A B 6 1.853 17.337 3.188 1.00 2.28 N ATOM 174 C4 A B 6 1.852 17.767 1.915 1.00 2.69 C ATOM 0 H5' A B 6 -3.852 15.876 1.436 1.00 2.27 H new ATOM 0 H5'' A B 6 -3.087 16.686 0.083 1.00 2.27 H new ATOM 0 H4' A B 6 -3.132 17.318 2.896 1.00 2.74 H new ATOM 0 H3' A B 6 -3.668 18.878 0.765 1.00 3.36 H new ATOM 0 H2' A B 6 -1.406 18.865 -0.259 1.00 3.45 H new ATOM 0 HO2' A B 6 -0.468 20.821 0.240 1.00 4.23 H new ATOM 0 HO3' A B 6 -2.595 20.585 2.388 1.00 4.05 H new ATOM 0 H1' A B 6 -0.360 19.381 2.567 1.00 3.13 H new ATOM 0 H8 A B 6 0.698 19.090 -0.792 1.00 3.68 H new ATOM 0 H61 A B 6 6.035 16.567 1.121 1.00 3.76 H new ATOM 0 H62 A B 6 5.194 17.316 -0.241 1.00 3.76 H new ATOM 0 H2 A B 6 3.122 16.445 4.516 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 14.916 -3.078 -11.306 1.00 8.88 N ATOM 189 CA GLY A 510 14.812 -4.199 -10.346 1.00 8.14 C ATOM 190 C GLY A 510 14.375 -3.724 -8.981 1.00 7.17 C ATOM 191 O GLY A 510 14.269 -2.519 -8.748 1.00 7.17 O ATOM 0 HA2 GLY A 510 14.100 -4.935 -10.721 1.00 8.14 H new ATOM 0 HA3 GLY A 510 15.776 -4.701 -10.266 1.00 8.14 H new ATOM 197 N ALA A 511 14.121 -4.655 -8.075 1.00 6.63 N ATOM 198 CA ALA A 511 13.685 -4.304 -6.735 1.00 5.95 C ATOM 199 C ALA A 511 14.497 -5.047 -5.683 1.00 5.06 C ATOM 200 O ALA A 511 15.292 -4.432 -4.968 1.00 5.04 O ATOM 201 CB ALA A 511 12.202 -4.595 -6.570 1.00 6.64 C ATOM 0 H ALA A 511 14.209 -5.657 -8.244 1.00 6.63 H new ATOM 0 HA ALA A 511 13.850 -3.236 -6.592 1.00 5.95 H new ATOM 0 HB1 ALA A 511 11.889 -4.327 -5.561 1.00 6.64 H new ATOM 0 HB2 ALA A 511 11.634 -4.010 -7.294 1.00 6.64 H new ATOM 0 HB3 ALA A 511 12.019 -5.656 -6.737 1.00 6.64 H new ATOM 207 N MET A 512 14.306 -6.368 -5.617 1.00 4.71 N ATOM 208 CA MET A 512 14.950 -7.219 -4.609 1.00 4.26 C ATOM 209 C MET A 512 14.373 -6.952 -3.219 1.00 3.49 C ATOM 210 O MET A 512 14.313 -5.810 -2.760 1.00 3.57 O ATOM 211 CB MET A 512 16.473 -7.026 -4.596 1.00 4.93 C ATOM 212 CG MET A 512 17.175 -7.791 -3.481 1.00 5.06 C ATOM 213 SD MET A 512 18.960 -7.519 -3.452 1.00 5.85 S ATOM 214 CE MET A 512 19.033 -5.743 -3.216 1.00 6.33 C ATOM 0 H MET A 512 13.701 -6.879 -6.260 1.00 4.71 H new ATOM 0 HA MET A 512 14.743 -8.254 -4.881 1.00 4.26 H new ATOM 0 HB2 MET A 512 16.879 -7.345 -5.556 1.00 4.93 H new ATOM 0 HB3 MET A 512 16.695 -5.964 -4.493 1.00 4.93 H new ATOM 0 HG2 MET A 512 16.752 -7.493 -2.522 1.00 5.06 H new ATOM 0 HG3 MET A 512 16.977 -8.856 -3.599 1.00 5.06 H new ATOM 0 HE1 MET A 512 19.870 -5.497 -2.563 1.00 6.33 H new ATOM 0 HE2 MET A 512 19.169 -5.253 -4.180 1.00 6.33 H new ATOM 0 HE3 MET A 512 18.104 -5.398 -2.761 1.00 6.33 H new ATOM 224 N ALA A 513 13.945 -8.015 -2.556 1.00 3.37 N ATOM 225 CA ALA A 513 13.382 -7.905 -1.223 1.00 3.26 C ATOM 226 C ALA A 513 14.469 -7.582 -0.203 1.00 2.63 C ATOM 227 O ALA A 513 15.247 -8.450 0.198 1.00 3.17 O ATOM 228 CB ALA A 513 12.652 -9.183 -0.842 1.00 4.20 C ATOM 0 H ALA A 513 13.978 -8.966 -2.923 1.00 3.37 H new ATOM 0 HA ALA A 513 12.662 -7.087 -1.224 1.00 3.26 H new ATOM 0 HB1 ALA A 513 12.237 -9.080 0.161 1.00 4.20 H new ATOM 0 HB2 ALA A 513 11.845 -9.366 -1.551 1.00 4.20 H new ATOM 0 HB3 ALA A 513 13.350 -10.020 -0.862 1.00 4.20 H new ATOM 234 N GLN A 514 14.529 -6.316 0.186 1.00 1.97 N ATOM 235 CA GLN A 514 15.472 -5.860 1.197 1.00 1.53 C ATOM 236 C GLN A 514 15.027 -6.299 2.589 1.00 1.41 C ATOM 237 O GLN A 514 14.022 -6.995 2.730 1.00 1.94 O ATOM 238 CB GLN A 514 15.591 -4.337 1.153 1.00 1.48 C ATOM 239 CG GLN A 514 16.314 -3.805 -0.073 1.00 1.76 C ATOM 240 CD GLN A 514 16.328 -2.293 -0.112 1.00 2.06 C ATOM 241 OE1 GLN A 514 16.264 -1.634 0.926 1.00 2.88 O ATOM 242 NE2 GLN A 514 16.431 -1.730 -1.303 1.00 2.17 N ATOM 0 H GLN A 514 13.929 -5.580 -0.188 1.00 1.97 H new ATOM 0 HA GLN A 514 16.443 -6.306 0.984 1.00 1.53 H new ATOM 0 HB2 GLN A 514 14.591 -3.904 1.188 1.00 1.48 H new ATOM 0 HB3 GLN A 514 16.116 -3.999 2.046 1.00 1.48 H new ATOM 0 HG2 GLN A 514 17.338 -4.177 -0.079 1.00 1.76 H new ATOM 0 HG3 GLN A 514 15.831 -4.186 -0.973 1.00 1.76 H new ATOM 0 HE21 GLN A 514 16.481 -2.312 -2.139 1.00 2.17 H new ATOM 0 HE22 GLN A 514 16.460 -0.714 -1.386 1.00 2.17 H new ATOM 251 N ARG A 515 15.770 -5.885 3.611 1.00 1.22 N ATOM 252 CA ARG A 515 15.409 -6.190 4.993 1.00 1.19 C ATOM 253 C ARG A 515 14.020 -5.651 5.304 1.00 1.13 C ATOM 254 O ARG A 515 13.768 -4.452 5.179 1.00 1.84 O ATOM 255 CB ARG A 515 16.420 -5.594 5.977 1.00 1.39 C ATOM 256 CG ARG A 515 17.823 -6.160 5.848 1.00 1.59 C ATOM 257 CD ARG A 515 18.741 -5.594 6.917 1.00 1.75 C ATOM 258 NE ARG A 515 20.117 -6.059 6.769 1.00 2.36 N ATOM 259 CZ ARG A 515 21.020 -6.021 7.747 1.00 3.12 C ATOM 260 NH1 ARG A 515 20.681 -5.576 8.952 1.00 3.44 N ATOM 261 NH2 ARG A 515 22.258 -6.438 7.522 1.00 4.00 N ATOM 0 H ARG A 515 16.625 -5.338 3.509 1.00 1.22 H new ATOM 0 HA ARG A 515 15.415 -7.274 5.106 1.00 1.19 H new ATOM 0 HB2 ARG A 515 16.461 -4.515 5.829 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.064 -5.763 6.993 1.00 1.39 H new ATOM 0 HG2 ARG A 515 17.789 -7.246 5.931 1.00 1.59 H new ATOM 0 HG3 ARG A 515 18.223 -5.928 4.861 1.00 1.59 H new ATOM 0 HD2 ARG A 515 18.721 -4.505 6.871 1.00 1.75 H new ATOM 0 HD3 ARG A 515 18.368 -5.878 7.901 1.00 1.75 H new ATOM 0 HE ARG A 515 20.403 -6.434 5.865 1.00 2.36 H new ATOM 0 HH11 ARG A 515 19.727 -5.262 9.130 1.00 3.44 H new ATOM 0 HH12 ARG A 515 21.375 -5.548 9.699 1.00 3.44 H new ATOM 0 HH21 ARG A 515 22.519 -6.788 6.600 1.00 4.00 H new ATOM 0 HH22 ARG A 515 22.950 -6.409 8.271 1.00 4.00 H new ATOM 275 N LYS A 516 13.118 -6.546 5.676 1.00 0.82 N ATOM 276 CA LYS A 516 11.741 -6.182 5.969 1.00 0.79 C ATOM 277 C LYS A 516 11.248 -6.965 7.181 1.00 0.90 C ATOM 278 O LYS A 516 10.171 -7.563 7.162 1.00 1.11 O ATOM 279 CB LYS A 516 10.850 -6.454 4.746 1.00 0.97 C ATOM 280 CG LYS A 516 11.211 -5.619 3.522 1.00 1.06 C ATOM 281 CD LYS A 516 10.850 -4.151 3.712 1.00 1.07 C ATOM 282 CE LYS A 516 11.495 -3.267 2.654 1.00 1.24 C ATOM 283 NZ LYS A 516 12.952 -3.085 2.898 1.00 1.89 N ATOM 0 H LYS A 516 13.319 -7.540 5.783 1.00 0.82 H new ATOM 0 HA LYS A 516 11.691 -5.117 6.198 1.00 0.79 H new ATOM 0 HB2 LYS A 516 10.918 -7.510 4.486 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.812 -6.258 5.014 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.279 -5.708 3.324 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.691 -6.011 2.648 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.767 -4.035 3.671 1.00 1.07 H new ATOM 0 HD3 LYS A 516 11.168 -3.824 4.702 1.00 1.07 H new ATOM 0 HE2 LYS A 516 11.344 -3.710 1.669 1.00 1.24 H new ATOM 0 HE3 LYS A 516 11.004 -2.294 2.645 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 13.371 -2.548 2.112 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 13.093 -2.564 3.787 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 13.412 -4.016 2.966 1.00 1.89 H new ATOM 297 N GLY A 517 12.056 -6.964 8.234 1.00 0.96 N ATOM 298 CA GLY A 517 11.718 -7.703 9.435 1.00 1.13 C ATOM 299 C GLY A 517 10.773 -6.932 10.330 1.00 1.25 C ATOM 300 O GLY A 517 9.588 -7.263 10.430 1.00 2.04 O ATOM 0 H GLY A 517 12.943 -6.462 8.277 1.00 0.96 H new ATOM 0 HA2 GLY A 517 11.261 -8.653 9.159 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.629 -7.936 9.986 1.00 1.13 H new ATOM 304 N ALA A 518 11.294 -5.907 10.983 1.00 1.01 N ATOM 305 CA ALA A 518 10.477 -5.049 11.827 1.00 1.14 C ATOM 306 C ALA A 518 10.183 -3.742 11.112 1.00 1.08 C ATOM 307 O ALA A 518 9.220 -3.042 11.427 1.00 1.75 O ATOM 308 CB ALA A 518 11.167 -4.793 13.157 1.00 1.41 C ATOM 0 H ALA A 518 12.280 -5.648 10.945 1.00 1.01 H new ATOM 0 HA ALA A 518 9.532 -5.554 12.029 1.00 1.14 H new ATOM 0 HB1 ALA A 518 10.540 -4.149 13.774 1.00 1.41 H new ATOM 0 HB2 ALA A 518 11.330 -5.741 13.670 1.00 1.41 H new ATOM 0 HB3 ALA A 518 12.126 -4.305 12.981 1.00 1.41 H new ATOM 314 N GLY A 519 11.021 -3.444 10.142 1.00 0.67 N ATOM 315 CA GLY A 519 10.855 -2.262 9.326 1.00 0.60 C ATOM 316 C GLY A 519 10.463 -2.634 7.919 1.00 0.50 C ATOM 317 O GLY A 519 11.284 -3.149 7.158 1.00 0.51 O ATOM 0 H GLY A 519 11.833 -4.012 9.898 1.00 0.67 H new ATOM 0 HA2 GLY A 519 10.092 -1.617 9.763 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.784 -1.692 9.311 1.00 0.60 H new ATOM 321 N ARG A 520 9.208 -2.410 7.567 1.00 0.46 N ATOM 322 CA ARG A 520 8.741 -2.767 6.245 1.00 0.40 C ATOM 323 C ARG A 520 8.142 -1.568 5.539 1.00 0.34 C ATOM 324 O ARG A 520 7.372 -0.805 6.121 1.00 0.36 O ATOM 325 CB ARG A 520 7.678 -3.856 6.348 1.00 0.44 C ATOM 326 CG ARG A 520 8.119 -5.075 7.132 1.00 0.56 C ATOM 327 CD ARG A 520 6.926 -5.883 7.595 1.00 0.64 C ATOM 328 NE ARG A 520 6.054 -5.095 8.461 1.00 0.93 N ATOM 329 CZ ARG A 520 5.914 -5.302 9.768 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.580 -6.283 10.370 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.115 -4.518 10.476 1.00 2.22 N ATOM 0 H ARG A 520 8.504 -1.988 8.172 1.00 0.46 H new ATOM 0 HA ARG A 520 9.596 -3.127 5.673 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.788 -3.437 6.817 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.392 -4.167 5.343 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.765 -5.696 6.512 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.709 -4.764 7.994 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.363 -6.232 6.730 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.270 -6.768 8.130 1.00 0.64 H new ATOM 0 HE ARG A 520 5.518 -4.338 8.037 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.203 -6.883 9.830 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.468 -6.436 11.372 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.610 -3.759 10.019 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.005 -4.673 11.478 1.00 2.22 H new ATOM 345 N VAL A 521 8.531 -1.394 4.291 1.00 0.29 N ATOM 346 CA VAL A 521 7.846 -0.484 3.399 1.00 0.24 C ATOM 347 C VAL A 521 7.288 -1.245 2.210 1.00 0.21 C ATOM 348 O VAL A 521 8.040 -1.892 1.472 1.00 0.23 O ATOM 349 CB VAL A 521 8.742 0.664 2.911 1.00 0.26 C ATOM 350 CG1 VAL A 521 7.955 1.597 2.006 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.317 1.423 4.088 1.00 0.32 C ATOM 0 H VAL A 521 9.325 -1.876 3.871 1.00 0.29 H new ATOM 0 HA VAL A 521 7.034 -0.033 3.970 1.00 0.24 H new ATOM 0 HB VAL A 521 9.568 0.243 2.339 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.602 2.406 1.667 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.586 1.042 1.144 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.112 2.013 2.557 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.949 2.233 3.725 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.505 1.837 4.686 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.911 0.746 4.702 1.00 0.32 H new ATOM 361 N VAL A 522 5.990 -1.169 2.020 1.00 0.20 N ATOM 362 CA VAL A 522 5.360 -1.774 0.864 1.00 0.18 C ATOM 363 C VAL A 522 4.678 -0.669 0.079 1.00 0.18 C ATOM 364 O VAL A 522 3.837 0.047 0.617 1.00 0.19 O ATOM 365 CB VAL A 522 4.335 -2.852 1.276 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.803 -3.592 0.062 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.949 -3.823 2.271 1.00 0.22 C ATOM 0 H VAL A 522 5.347 -0.693 2.652 1.00 0.20 H new ATOM 0 HA VAL A 522 6.115 -2.272 0.255 1.00 0.18 H new ATOM 0 HB VAL A 522 3.495 -2.351 1.758 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.083 -4.345 0.382 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.315 -2.886 -0.610 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.628 -4.077 -0.459 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.210 -4.575 2.549 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.811 -4.312 1.818 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.266 -3.280 3.161 1.00 0.22 H new ATOM 377 N HIS A 523 5.056 -0.495 -1.173 1.00 0.18 N ATOM 378 CA HIS A 523 4.596 0.635 -1.953 1.00 0.18 C ATOM 379 C HIS A 523 3.564 0.195 -2.978 1.00 0.17 C ATOM 380 O HIS A 523 3.769 -0.770 -3.715 1.00 0.18 O ATOM 381 CB HIS A 523 5.802 1.277 -2.647 1.00 0.20 C ATOM 382 CG HIS A 523 5.486 2.429 -3.555 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.379 2.296 -4.921 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.314 3.748 -3.294 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.163 3.480 -5.459 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.117 4.380 -4.496 1.00 0.37 N ATOM 0 H HIS A 523 5.683 -1.126 -1.672 1.00 0.18 H new ATOM 0 HA HIS A 523 4.120 1.362 -1.295 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.499 1.620 -1.882 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.316 0.510 -3.227 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.329 4.215 -2.320 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.044 3.680 -6.514 1.00 0.44 H new ATOM 0 HE2 HIS A 523 4.961 5.380 -4.624 1.00 0.37 H new ATOM 395 N ILE A 524 2.467 0.917 -3.019 1.00 0.16 N ATOM 396 CA ILE A 524 1.410 0.662 -3.973 1.00 0.16 C ATOM 397 C ILE A 524 1.374 1.811 -4.962 1.00 0.17 C ATOM 398 O ILE A 524 1.520 2.968 -4.578 1.00 0.19 O ATOM 399 CB ILE A 524 0.046 0.523 -3.263 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.162 -0.507 -2.135 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.043 0.128 -4.254 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.138 -0.794 -1.414 1.00 0.18 C ATOM 0 H ILE A 524 2.282 1.699 -2.391 1.00 0.16 H new ATOM 0 HA ILE A 524 1.606 -0.276 -4.492 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.234 1.486 -2.836 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.547 -1.439 -2.549 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.895 -0.153 -1.410 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.995 0.036 -3.731 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.126 0.892 -5.027 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.788 -0.827 -4.714 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.965 -1.533 -0.632 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.517 0.125 -0.967 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.870 -1.181 -2.123 1.00 0.18 H new ATOM 414 N CYS A 525 1.221 1.511 -6.231 1.00 0.17 N ATOM 415 CA CYS A 525 1.282 2.545 -7.243 1.00 0.18 C ATOM 416 C CYS A 525 0.157 2.414 -8.249 1.00 0.15 C ATOM 417 O CYS A 525 -0.506 1.373 -8.323 1.00 0.16 O ATOM 418 CB CYS A 525 2.638 2.508 -7.951 1.00 0.29 C ATOM 419 SG CYS A 525 3.127 0.869 -8.528 1.00 1.17 S ATOM 0 H CYS A 525 1.055 0.570 -6.587 1.00 0.17 H new ATOM 0 HA CYS A 525 1.164 3.507 -6.744 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.609 3.187 -8.803 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.401 2.884 -7.270 1.00 0.29 H new ATOM 0 HG CYS A 525 3.865 0.986 -9.592 1.00 1.17 H new ATOM 425 N ASN A 526 -0.050 3.503 -8.987 1.00 0.15 N ATOM 426 CA ASN A 526 -1.006 3.577 -10.096 1.00 0.16 C ATOM 427 C ASN A 526 -2.395 3.914 -9.587 1.00 0.15 C ATOM 428 O ASN A 526 -3.399 3.546 -10.195 1.00 0.18 O ATOM 429 CB ASN A 526 -1.047 2.288 -10.932 1.00 0.19 C ATOM 430 CG ASN A 526 0.279 1.957 -11.590 1.00 0.21 C ATOM 431 OD1 ASN A 526 1.091 2.840 -11.866 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.500 0.679 -11.855 1.00 0.26 N ATOM 0 H ASN A 526 0.451 4.377 -8.830 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.659 4.375 -10.752 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.344 1.457 -10.292 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.812 2.387 -11.702 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.370 0.394 -12.305 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.200 -0.021 -11.609 1.00 0.26 H new ATOM 439 N LEU A 527 -2.442 4.653 -8.490 1.00 0.15 N ATOM 440 CA LEU A 527 -3.707 5.081 -7.919 1.00 0.17 C ATOM 441 C LEU A 527 -4.176 6.338 -8.633 1.00 0.22 C ATOM 442 O LEU A 527 -3.452 7.330 -8.689 1.00 0.25 O ATOM 443 CB LEU A 527 -3.556 5.358 -6.418 1.00 0.15 C ATOM 444 CG LEU A 527 -3.353 4.128 -5.531 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.960 4.549 -4.126 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.626 3.304 -5.483 1.00 0.21 C ATOM 0 H LEU A 527 -1.618 4.968 -7.978 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.443 4.287 -8.048 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.709 6.029 -6.275 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.444 5.888 -6.074 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.552 3.523 -5.955 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.819 3.663 -3.507 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.031 5.117 -4.163 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.748 5.169 -3.698 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.471 2.431 -4.849 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.436 3.909 -5.075 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.887 2.979 -6.490 1.00 0.21 H new ATOM 458 N PRO A 528 -5.385 6.323 -9.202 1.00 0.26 N ATOM 459 CA PRO A 528 -5.906 7.491 -9.896 1.00 0.33 C ATOM 460 C PRO A 528 -6.254 8.611 -8.921 1.00 0.34 C ATOM 461 O PRO A 528 -6.888 8.376 -7.892 1.00 0.32 O ATOM 462 CB PRO A 528 -7.160 6.971 -10.606 1.00 0.38 C ATOM 463 CG PRO A 528 -7.537 5.699 -9.914 1.00 0.37 C ATOM 464 CD PRO A 528 -6.306 5.175 -9.227 1.00 0.29 C ATOM 0 HA PRO A 528 -5.179 7.921 -10.585 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.969 7.699 -10.549 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.963 6.795 -11.664 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.333 5.877 -9.191 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -7.915 4.970 -10.631 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.532 4.824 -8.220 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.876 4.332 -9.769 1.00 0.29 H new ATOM 472 N GLU A 529 -5.826 9.822 -9.248 1.00 0.41 N ATOM 473 CA GLU A 529 -6.086 10.988 -8.419 1.00 0.46 C ATOM 474 C GLU A 529 -7.578 11.294 -8.449 1.00 0.47 C ATOM 475 O GLU A 529 -8.205 11.230 -9.512 1.00 0.53 O ATOM 476 CB GLU A 529 -5.251 12.161 -8.934 1.00 0.57 C ATOM 477 CG GLU A 529 -4.988 13.276 -7.922 1.00 0.66 C ATOM 478 CD GLU A 529 -6.236 13.985 -7.436 1.00 1.12 C ATOM 479 OE1 GLU A 529 -6.815 14.772 -8.213 1.00 1.60 O ATOM 480 OE2 GLU A 529 -6.648 13.756 -6.281 1.00 1.41 O ATOM 0 H GLU A 529 -5.291 10.023 -10.093 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.801 10.802 -7.383 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.292 11.777 -9.282 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.755 12.591 -9.799 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -4.466 12.855 -7.063 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.320 14.010 -8.373 1.00 0.66 H new ATOM 487 N GLY A 530 -8.147 11.627 -7.302 1.00 0.46 N ATOM 488 CA GLY A 530 -9.583 11.763 -7.219 1.00 0.48 C ATOM 489 C GLY A 530 -10.222 10.437 -6.889 1.00 0.43 C ATOM 490 O GLY A 530 -11.445 10.308 -6.860 1.00 0.46 O ATOM 0 H GLY A 530 -7.644 11.804 -6.433 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.841 12.497 -6.456 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.974 12.136 -8.166 1.00 0.48 H new ATOM 494 N SER A 531 -9.373 9.450 -6.649 1.00 0.37 N ATOM 495 CA SER A 531 -9.801 8.084 -6.420 1.00 0.35 C ATOM 496 C SER A 531 -8.823 7.384 -5.476 1.00 0.28 C ATOM 497 O SER A 531 -8.925 6.183 -5.229 1.00 0.30 O ATOM 498 CB SER A 531 -9.863 7.343 -7.753 1.00 0.40 C ATOM 499 OG SER A 531 -10.813 7.934 -8.626 1.00 1.08 O ATOM 0 H SER A 531 -8.362 9.578 -6.608 1.00 0.37 H new ATOM 0 HA SER A 531 -10.790 8.085 -5.962 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.879 7.351 -8.223 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.125 6.299 -7.580 1.00 0.40 H new ATOM 0 HG SER A 531 -10.456 7.945 -9.539 1.00 1.08 H new ATOM 505 N CYS A 532 -7.877 8.150 -4.944 1.00 0.24 N ATOM 506 CA CYS A 532 -6.889 7.615 -4.022 1.00 0.20 C ATOM 507 C CYS A 532 -7.420 7.721 -2.606 1.00 0.18 C ATOM 508 O CYS A 532 -7.134 8.688 -1.902 1.00 0.21 O ATOM 509 CB CYS A 532 -5.571 8.390 -4.124 1.00 0.21 C ATOM 510 SG CYS A 532 -4.856 8.447 -5.779 1.00 0.25 S ATOM 0 H CYS A 532 -7.776 9.146 -5.138 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.701 6.573 -4.279 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.738 9.411 -3.780 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.847 7.939 -3.445 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.785 8.729 -6.644 1.00 0.25 H new ATOM 516 N THR A 533 -8.207 6.749 -2.184 1.00 0.17 N ATOM 517 CA THR A 533 -8.765 6.803 -0.854 1.00 0.18 C ATOM 518 C THR A 533 -7.937 5.920 0.056 1.00 0.17 C ATOM 519 O THR A 533 -7.331 4.951 -0.399 1.00 0.18 O ATOM 520 CB THR A 533 -10.230 6.317 -0.830 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.273 4.902 -1.044 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.056 7.018 -1.900 1.00 0.28 C ATOM 0 H THR A 533 -8.468 5.930 -2.733 1.00 0.17 H new ATOM 0 HA THR A 533 -8.748 7.839 -0.516 1.00 0.18 H new ATOM 0 HB THR A 533 -10.653 6.557 0.145 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.651 4.716 -1.929 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.084 6.657 -1.861 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.042 8.094 -1.724 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.634 6.806 -2.882 1.00 0.28 H new ATOM 530 N GLU A 534 -7.907 6.251 1.332 1.00 0.19 N ATOM 531 CA GLU A 534 -7.206 5.439 2.307 1.00 0.20 C ATOM 532 C GLU A 534 -7.912 4.103 2.428 1.00 0.19 C ATOM 533 O GLU A 534 -7.288 3.060 2.619 1.00 0.20 O ATOM 534 CB GLU A 534 -7.127 6.163 3.650 1.00 0.23 C ATOM 535 CG GLU A 534 -6.576 7.586 3.529 1.00 0.27 C ATOM 536 CD GLU A 534 -6.486 8.311 4.859 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.541 8.637 5.440 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.358 8.546 5.344 1.00 1.64 O ATOM 0 H GLU A 534 -8.361 7.079 1.718 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.181 5.265 1.980 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.121 6.201 4.096 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.495 5.591 4.329 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.585 7.547 3.077 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.212 8.158 2.854 1.00 0.27 H new ATOM 545 N ASN A 535 -9.230 4.161 2.286 1.00 0.20 N ATOM 546 CA ASN A 535 -10.071 2.992 2.449 1.00 0.22 C ATOM 547 C ASN A 535 -9.752 1.932 1.399 1.00 0.21 C ATOM 548 O ASN A 535 -9.482 0.803 1.756 1.00 0.21 O ATOM 549 CB ASN A 535 -11.550 3.384 2.356 1.00 0.27 C ATOM 550 CG ASN A 535 -12.487 2.262 2.773 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.160 1.450 3.639 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.663 2.213 2.167 1.00 1.38 N ATOM 0 H ASN A 535 -9.739 5.015 2.056 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.870 2.571 3.434 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.730 4.254 2.987 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.779 3.680 1.332 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.334 1.485 2.413 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.899 2.903 1.454 1.00 1.38 H new ATOM 559 N ASP A 536 -9.683 2.313 0.120 1.00 0.21 N ATOM 560 CA ASP A 536 -9.533 1.324 -0.963 1.00 0.22 C ATOM 561 C ASP A 536 -8.151 0.679 -0.932 1.00 0.17 C ATOM 562 O ASP A 536 -8.004 -0.534 -1.095 1.00 0.16 O ATOM 563 CB ASP A 536 -9.766 1.963 -2.341 1.00 0.27 C ATOM 564 CG ASP A 536 -11.215 2.340 -2.593 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.089 1.448 -2.524 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.493 3.529 -2.857 1.00 0.61 O ATOM 0 H ASP A 536 -9.727 3.283 -0.193 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.288 0.556 -0.799 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.146 2.855 -2.429 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.439 1.269 -3.115 1.00 0.27 H new ATOM 571 N VAL A 537 -7.150 1.515 -0.719 1.00 0.15 N ATOM 572 CA VAL A 537 -5.760 1.069 -0.667 1.00 0.13 C ATOM 573 C VAL A 537 -5.582 0.045 0.459 1.00 0.12 C ATOM 574 O VAL A 537 -5.014 -1.044 0.275 1.00 0.13 O ATOM 575 CB VAL A 537 -4.807 2.275 -0.472 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.349 1.862 -0.544 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.092 3.330 -1.524 1.00 0.13 C ATOM 0 H VAL A 537 -7.272 2.518 -0.577 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.507 0.592 -1.614 1.00 0.13 H new ATOM 0 HB VAL A 537 -4.988 2.682 0.523 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.715 2.738 -0.402 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.139 1.132 0.237 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.144 1.420 -1.519 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.419 4.176 -1.383 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.938 2.906 -2.516 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.124 3.668 -1.430 1.00 0.13 H new ATOM 587 N ILE A 538 -6.108 0.390 1.618 1.00 0.12 N ATOM 588 CA ILE A 538 -6.099 -0.503 2.759 1.00 0.12 C ATOM 589 C ILE A 538 -7.016 -1.712 2.534 1.00 0.12 C ATOM 590 O ILE A 538 -6.729 -2.806 3.020 1.00 0.12 O ATOM 591 CB ILE A 538 -6.470 0.233 4.055 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.411 1.281 4.386 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.608 -0.753 5.198 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.731 2.074 5.630 1.00 0.23 C ATOM 0 H ILE A 538 -6.551 1.292 1.794 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.080 -0.874 2.868 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.427 0.735 3.911 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.448 0.787 4.515 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.309 1.964 3.543 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.871 -0.218 6.110 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.390 -1.476 4.963 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.663 -1.276 5.344 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.940 2.802 5.811 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.679 2.594 5.496 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.805 1.399 6.483 1.00 0.23 H new ATOM 606 N ASN A 539 -8.123 -1.518 1.811 1.00 0.12 N ATOM 607 CA ASN A 539 -9.029 -2.626 1.492 1.00 0.14 C ATOM 608 C ASN A 539 -8.289 -3.712 0.741 1.00 0.15 C ATOM 609 O ASN A 539 -8.684 -4.870 0.778 1.00 0.17 O ATOM 610 CB ASN A 539 -10.240 -2.201 0.639 1.00 0.17 C ATOM 611 CG ASN A 539 -11.229 -1.287 1.339 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.915 -0.493 0.691 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.322 -1.383 2.655 1.00 0.21 N ATOM 0 H ASN A 539 -8.412 -0.613 1.439 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.399 -2.988 2.451 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.876 -1.699 -0.257 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.766 -3.097 0.310 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.976 -0.789 3.165 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.739 -2.051 3.160 1.00 0.21 H new ATOM 620 N LEU A 540 -7.246 -3.334 0.018 1.00 0.15 N ATOM 621 CA LEU A 540 -6.397 -4.319 -0.626 1.00 0.17 C ATOM 622 C LEU A 540 -5.485 -4.983 0.398 1.00 0.16 C ATOM 623 O LEU A 540 -5.260 -6.191 0.350 1.00 0.19 O ATOM 624 CB LEU A 540 -5.542 -3.657 -1.701 1.00 0.19 C ATOM 625 CG LEU A 540 -6.317 -3.007 -2.841 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.351 -2.419 -3.851 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.250 -4.010 -3.504 1.00 0.24 C ATOM 0 H LEU A 540 -6.971 -2.364 -0.135 1.00 0.15 H new ATOM 0 HA LEU A 540 -7.037 -5.073 -1.084 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.918 -2.898 -1.229 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.871 -4.406 -2.121 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.930 -2.203 -2.434 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.911 -1.956 -4.663 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.729 -1.668 -3.365 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.718 -3.210 -4.252 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.792 -3.522 -4.314 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.667 -4.839 -3.905 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.960 -4.388 -2.768 1.00 0.24 H new ATOM 639 N GLY A 541 -4.955 -4.174 1.314 1.00 0.14 N ATOM 640 CA GLY A 541 -4.063 -4.691 2.342 1.00 0.16 C ATOM 641 C GLY A 541 -4.696 -5.663 3.329 1.00 0.15 C ATOM 642 O GLY A 541 -4.208 -6.776 3.507 1.00 0.19 O ATOM 0 H GLY A 541 -5.127 -3.170 1.363 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.225 -5.189 1.855 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.653 -3.849 2.900 1.00 0.16 H new ATOM 646 N LEU A 542 -5.803 -5.266 3.933 1.00 0.13 N ATOM 647 CA LEU A 542 -6.365 -5.995 5.076 1.00 0.14 C ATOM 648 C LEU A 542 -6.672 -7.480 4.813 1.00 0.16 C ATOM 649 O LEU A 542 -6.327 -8.320 5.644 1.00 0.20 O ATOM 650 CB LEU A 542 -7.607 -5.282 5.597 1.00 0.13 C ATOM 651 CG LEU A 542 -7.326 -4.005 6.384 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.613 -3.243 6.634 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.643 -4.339 7.701 1.00 0.16 C ATOM 0 H LEU A 542 -6.337 -4.442 3.656 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.580 -5.995 5.832 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.250 -5.038 4.752 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.164 -5.970 6.233 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.660 -3.373 5.796 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.395 -2.335 7.196 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.070 -2.978 5.681 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.300 -3.867 7.205 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.448 -3.420 8.253 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.290 -4.987 8.292 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.701 -4.850 7.503 1.00 0.16 H new ATOM 665 N PRO A 543 -7.321 -7.847 3.688 1.00 0.17 N ATOM 666 CA PRO A 543 -7.716 -9.243 3.431 1.00 0.19 C ATOM 667 C PRO A 543 -6.547 -10.232 3.438 1.00 0.20 C ATOM 668 O PRO A 543 -6.736 -11.414 3.727 1.00 0.23 O ATOM 669 CB PRO A 543 -8.356 -9.177 2.042 1.00 0.22 C ATOM 670 CG PRO A 543 -8.823 -7.773 1.925 1.00 0.21 C ATOM 671 CD PRO A 543 -7.758 -6.962 2.598 1.00 0.17 C ATOM 0 HA PRO A 543 -8.376 -9.614 4.215 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.638 -9.425 1.260 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.183 -9.881 1.950 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.943 -7.481 0.882 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.790 -7.636 2.408 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.941 -6.722 1.918 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.146 -6.016 2.975 1.00 0.17 H new ATOM 679 N PHE A 544 -5.341 -9.763 3.126 1.00 0.20 N ATOM 680 CA PHE A 544 -4.173 -10.638 3.133 1.00 0.22 C ATOM 681 C PHE A 544 -3.362 -10.465 4.415 1.00 0.22 C ATOM 682 O PHE A 544 -2.529 -11.309 4.755 1.00 0.28 O ATOM 683 CB PHE A 544 -3.279 -10.348 1.927 1.00 0.23 C ATOM 684 CG PHE A 544 -3.940 -10.568 0.600 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.020 -11.837 0.054 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.466 -9.502 -0.108 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.613 -12.040 -1.176 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.064 -9.698 -1.335 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.137 -10.968 -1.872 1.00 0.33 C ATOM 0 H PHE A 544 -5.149 -8.795 2.868 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.532 -11.666 3.081 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.938 -9.314 1.983 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.392 -10.979 1.987 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.614 -12.678 0.596 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.408 -8.506 0.305 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.667 -13.035 -1.593 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.475 -8.858 -1.876 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.603 -11.123 -2.834 1.00 0.33 H new ATOM 699 N GLY A 545 -3.609 -9.376 5.127 1.00 0.19 N ATOM 700 CA GLY A 545 -2.897 -9.121 6.361 1.00 0.21 C ATOM 701 C GLY A 545 -3.303 -7.806 6.990 1.00 0.21 C ATOM 702 O GLY A 545 -3.747 -6.894 6.299 1.00 0.44 O ATOM 0 H GLY A 545 -4.292 -8.663 4.871 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -3.087 -9.933 7.063 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.825 -9.113 6.166 1.00 0.21 H new ATOM 706 N LYS A 546 -3.145 -7.704 8.298 1.00 0.27 N ATOM 707 CA LYS A 546 -3.554 -6.513 9.029 1.00 0.25 C ATOM 708 C LYS A 546 -2.706 -5.308 8.637 1.00 0.20 C ATOM 709 O LYS A 546 -1.480 -5.382 8.597 1.00 0.24 O ATOM 710 CB LYS A 546 -3.452 -6.760 10.535 1.00 0.35 C ATOM 711 CG LYS A 546 -3.882 -5.573 11.385 1.00 0.41 C ATOM 712 CD LYS A 546 -3.700 -5.854 12.869 1.00 0.92 C ATOM 713 CE LYS A 546 -4.550 -7.029 13.324 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.382 -7.309 14.773 1.00 2.07 N ATOM 0 H LYS A 546 -2.735 -8.434 8.880 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.590 -6.296 8.770 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -4.067 -7.622 10.794 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.422 -7.017 10.782 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.300 -4.695 11.106 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.927 -5.340 11.183 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -2.650 -6.063 13.074 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.967 -4.967 13.443 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -5.599 -6.820 13.114 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -4.280 -7.915 12.750 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.979 -8.117 15.042 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -3.386 -7.534 14.970 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -4.664 -6.473 15.323 1.00 2.07 H new ATOM 728 N VAL A 547 -3.376 -4.206 8.342 1.00 0.16 N ATOM 729 CA VAL A 547 -2.713 -2.963 8.002 1.00 0.15 C ATOM 730 C VAL A 547 -2.453 -2.139 9.255 1.00 0.18 C ATOM 731 O VAL A 547 -3.386 -1.704 9.933 1.00 0.20 O ATOM 732 CB VAL A 547 -3.574 -2.157 7.006 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.992 -0.777 6.746 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.711 -2.928 5.702 1.00 0.14 C ATOM 0 H VAL A 547 -4.394 -4.151 8.332 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.756 -3.196 7.535 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.560 -2.017 7.450 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.627 -0.241 6.040 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.941 -0.221 7.682 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.990 -0.877 6.329 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.320 -2.355 5.003 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.723 -3.094 5.272 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.189 -3.889 5.896 1.00 0.14 H new ATOM 744 N THR A 548 -1.183 -1.937 9.570 1.00 0.20 N ATOM 745 CA THR A 548 -0.815 -1.170 10.743 1.00 0.23 C ATOM 746 C THR A 548 -0.588 0.298 10.395 1.00 0.23 C ATOM 747 O THR A 548 -0.949 1.186 11.167 1.00 0.27 O ATOM 748 CB THR A 548 0.446 -1.756 11.401 1.00 0.27 C ATOM 749 OG1 THR A 548 1.470 -1.931 10.413 1.00 0.26 O ATOM 750 CG2 THR A 548 0.137 -3.092 12.062 1.00 0.31 C ATOM 0 H THR A 548 -0.394 -2.293 9.030 1.00 0.20 H new ATOM 0 HA THR A 548 -1.643 -1.230 11.450 1.00 0.23 H new ATOM 0 HB THR A 548 0.792 -1.062 12.167 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.272 -2.303 10.836 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.042 -3.489 12.521 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.626 -2.951 12.827 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.227 -3.794 11.311 1.00 0.31 H new ATOM 758 N ASN A 549 -0.047 0.540 9.209 1.00 0.20 N ATOM 759 CA ASN A 549 0.201 1.900 8.730 1.00 0.21 C ATOM 760 C ASN A 549 -0.073 2.001 7.240 1.00 0.18 C ATOM 761 O ASN A 549 -0.102 0.998 6.533 1.00 0.20 O ATOM 762 CB ASN A 549 1.643 2.358 9.004 1.00 0.26 C ATOM 763 CG ASN A 549 1.909 2.719 10.448 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.000 3.047 11.203 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.168 2.707 10.831 1.00 0.81 N ATOM 0 H ASN A 549 0.231 -0.191 8.554 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.478 2.553 9.279 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.328 1.564 8.706 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.864 3.222 8.377 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.414 2.976 11.784 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.898 2.428 10.175 1.00 0.81 H new ATOM 772 N TYR A 550 -0.284 3.221 6.779 1.00 0.17 N ATOM 773 CA TYR A 550 -0.589 3.485 5.385 1.00 0.17 C ATOM 774 C TYR A 550 -0.316 4.952 5.081 1.00 0.17 C ATOM 775 O TYR A 550 -0.407 5.796 5.972 1.00 0.17 O ATOM 776 CB TYR A 550 -2.056 3.145 5.107 1.00 0.17 C ATOM 777 CG TYR A 550 -3.018 3.939 5.961 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.850 4.880 5.388 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.074 3.764 7.341 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.709 5.629 6.165 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.937 4.507 8.119 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.748 5.440 7.522 1.00 0.25 C ATOM 783 OH TYR A 550 -5.606 6.191 8.279 1.00 0.31 O ATOM 0 H TYR A 550 -0.249 4.057 7.362 1.00 0.17 H new ATOM 0 HA TYR A 550 0.040 2.867 4.744 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.273 3.331 4.055 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.216 2.081 5.282 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.828 5.031 4.319 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.431 3.034 7.810 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.351 6.365 5.704 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.974 4.356 9.188 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.106 6.802 7.698 1.00 0.31 H new ATOM 793 N ILE A 551 0.027 5.252 3.837 1.00 0.18 N ATOM 794 CA ILE A 551 0.376 6.604 3.428 1.00 0.16 C ATOM 795 C ILE A 551 -0.108 6.813 2.005 1.00 0.17 C ATOM 796 O ILE A 551 0.210 6.013 1.134 1.00 0.20 O ATOM 797 CB ILE A 551 1.906 6.821 3.465 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.472 6.505 4.855 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.262 8.242 3.063 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.975 6.626 4.952 1.00 0.20 C ATOM 0 H ILE A 551 0.071 4.566 3.084 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.091 7.310 4.114 1.00 0.16 H new ATOM 0 HB ILE A 551 2.356 6.136 2.746 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.017 7.177 5.582 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.181 5.492 5.132 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.344 8.369 3.097 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.906 8.434 2.051 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.792 8.944 3.752 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.295 6.386 5.966 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.442 5.934 4.251 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.274 7.645 4.709 1.00 0.20 H new ATOM 812 N LEU A 552 -0.870 7.854 1.749 1.00 0.16 N ATOM 813 CA LEU A 552 -1.380 8.067 0.409 1.00 0.19 C ATOM 814 C LEU A 552 -0.653 9.206 -0.271 1.00 0.19 C ATOM 815 O LEU A 552 -0.646 10.323 0.230 1.00 0.26 O ATOM 816 CB LEU A 552 -2.874 8.348 0.422 1.00 0.27 C ATOM 817 CG LEU A 552 -3.764 7.174 0.782 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.198 7.541 0.495 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.366 5.924 0.017 1.00 0.42 C ATOM 0 H LEU A 552 -1.147 8.555 2.436 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.206 7.149 -0.152 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.066 9.155 1.129 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.165 8.711 -0.564 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.648 6.953 1.843 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.846 6.703 0.751 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.477 8.410 1.090 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.309 7.775 -0.564 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.023 5.101 0.298 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.454 6.109 -1.054 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.335 5.663 0.257 1.00 0.42 H new ATOM 831 N MET A 553 -0.090 8.947 -1.438 1.00 0.18 N ATOM 832 CA MET A 553 0.639 9.990 -2.144 1.00 0.26 C ATOM 833 C MET A 553 -0.172 10.422 -3.353 1.00 0.26 C ATOM 834 O MET A 553 0.082 10.007 -4.488 1.00 0.25 O ATOM 835 CB MET A 553 2.007 9.474 -2.602 1.00 0.35 C ATOM 836 CG MET A 553 2.784 8.737 -1.524 1.00 0.56 C ATOM 837 SD MET A 553 4.165 7.789 -2.195 1.00 1.03 S ATOM 838 CE MET A 553 5.197 9.102 -2.840 1.00 0.80 C ATOM 0 H MET A 553 -0.121 8.044 -1.911 1.00 0.18 H new ATOM 0 HA MET A 553 0.795 10.835 -1.474 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.866 8.808 -3.453 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.603 10.317 -2.952 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.160 9.456 -0.796 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.111 8.065 -0.990 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.230 9.038 -3.928 1.00 0.80 H new ATOM 0 HE2 MET A 553 4.784 10.067 -2.546 1.00 0.80 H new ATOM 0 HE3 MET A 553 6.206 9.002 -2.440 1.00 0.80 H new ATOM 848 N LYS A 554 -1.151 11.268 -3.082 1.00 0.32 N ATOM 849 CA LYS A 554 -1.982 11.866 -4.121 1.00 0.37 C ATOM 850 C LYS A 554 -1.169 12.569 -5.204 1.00 0.38 C ATOM 851 O LYS A 554 -1.593 12.626 -6.359 1.00 0.40 O ATOM 852 CB LYS A 554 -2.964 12.854 -3.489 1.00 0.47 C ATOM 853 CG LYS A 554 -3.551 12.387 -2.160 1.00 0.43 C ATOM 854 CD LYS A 554 -4.225 11.026 -2.265 1.00 0.37 C ATOM 855 CE LYS A 554 -4.966 10.677 -0.983 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.052 11.649 -0.675 1.00 1.03 N ATOM 0 H LYS A 554 -1.395 11.562 -2.136 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.520 11.052 -4.607 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.456 13.806 -3.335 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -3.779 13.037 -4.189 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.758 12.339 -1.413 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.276 13.121 -1.809 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -4.923 11.027 -3.102 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.476 10.262 -2.475 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.391 9.677 -1.072 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.259 10.650 -0.153 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.731 11.214 -0.018 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.643 12.499 -0.238 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.541 11.913 -1.554 1.00 1.03 H new ATOM 870 N SER A 555 -0.003 13.086 -4.847 1.00 0.40 N ATOM 871 CA SER A 555 0.779 13.896 -5.765 1.00 0.44 C ATOM 872 C SER A 555 1.350 13.059 -6.913 1.00 0.38 C ATOM 873 O SER A 555 1.291 13.462 -8.076 1.00 0.38 O ATOM 874 CB SER A 555 1.899 14.590 -4.989 1.00 0.51 C ATOM 875 OG SER A 555 2.711 13.641 -4.316 1.00 0.50 O ATOM 0 H SER A 555 0.421 12.958 -3.928 1.00 0.40 H new ATOM 0 HA SER A 555 0.126 14.645 -6.214 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.511 15.178 -5.673 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.470 15.285 -4.267 1.00 0.51 H new ATOM 0 HG SER A 555 3.422 14.106 -3.828 1.00 0.50 H new ATOM 881 N THR A 556 1.893 11.893 -6.588 1.00 0.34 N ATOM 882 CA THR A 556 2.558 11.055 -7.575 1.00 0.32 C ATOM 883 C THR A 556 1.692 9.881 -8.034 1.00 0.27 C ATOM 884 O THR A 556 2.164 9.021 -8.779 1.00 0.28 O ATOM 885 CB THR A 556 3.882 10.508 -7.012 1.00 0.36 C ATOM 886 OG1 THR A 556 3.641 9.841 -5.767 1.00 0.34 O ATOM 887 CG2 THR A 556 4.895 11.622 -6.805 1.00 0.45 C ATOM 0 H THR A 556 1.885 11.506 -5.644 1.00 0.34 H new ATOM 0 HA THR A 556 2.747 11.691 -8.440 1.00 0.32 H new ATOM 0 HB THR A 556 4.292 9.803 -7.736 1.00 0.36 H new ATOM 0 HG1 THR A 556 2.681 9.672 -5.667 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.819 11.204 -6.407 1.00 0.45 H new ATOM 0 HG22 THR A 556 5.099 12.110 -7.758 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.494 12.352 -6.102 1.00 0.45 H new ATOM 895 N ASN A 557 0.426 9.868 -7.606 1.00 0.26 N ATOM 896 CA ASN A 557 -0.491 8.758 -7.907 1.00 0.26 C ATOM 897 C ASN A 557 0.051 7.452 -7.330 1.00 0.21 C ATOM 898 O ASN A 557 -0.049 6.383 -7.940 1.00 0.25 O ATOM 899 CB ASN A 557 -0.702 8.608 -9.419 1.00 0.31 C ATOM 900 CG ASN A 557 -1.446 9.774 -10.030 1.00 0.38 C ATOM 901 OD1 ASN A 557 -0.844 10.753 -10.471 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.763 9.679 -10.061 1.00 1.28 N ATOM 0 H ASN A 557 0.010 10.614 -7.049 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.452 8.985 -7.446 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.267 8.506 -9.907 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.255 7.689 -9.614 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.320 10.434 -10.461 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -3.224 8.850 -9.685 1.00 1.28 H new ATOM 909 N GLN A 558 0.604 7.556 -6.133 1.00 0.17 N ATOM 910 CA GLN A 558 1.268 6.440 -5.475 1.00 0.17 C ATOM 911 C GLN A 558 0.843 6.380 -4.018 1.00 0.16 C ATOM 912 O GLN A 558 0.176 7.287 -3.538 1.00 0.20 O ATOM 913 CB GLN A 558 2.786 6.596 -5.573 1.00 0.22 C ATOM 914 CG GLN A 558 3.315 6.542 -6.995 1.00 0.29 C ATOM 915 CD GLN A 558 4.795 6.848 -7.071 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.542 6.583 -6.131 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.225 7.407 -8.189 1.00 0.84 N ATOM 0 H GLN A 558 0.606 8.418 -5.588 1.00 0.17 H new ATOM 0 HA GLN A 558 0.981 5.513 -5.971 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.074 7.546 -5.123 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.262 5.809 -4.988 1.00 0.22 H new ATOM 0 HG2 GLN A 558 3.129 5.552 -7.412 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.767 7.255 -7.611 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.569 7.609 -8.943 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.213 7.636 -8.297 1.00 0.84 H new ATOM 926 N ALA A 559 1.163 5.296 -3.331 1.00 0.15 N ATOM 927 CA ALA A 559 0.863 5.187 -1.913 1.00 0.14 C ATOM 928 C ALA A 559 1.744 4.137 -1.231 1.00 0.14 C ATOM 929 O ALA A 559 2.410 3.341 -1.891 1.00 0.16 O ATOM 930 CB ALA A 559 -0.609 4.882 -1.715 1.00 0.15 C ATOM 0 H ALA A 559 1.629 4.481 -3.731 1.00 0.15 H new ATOM 0 HA ALA A 559 1.086 6.144 -1.442 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.824 4.802 -0.649 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.208 5.684 -2.147 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.855 3.940 -2.206 1.00 0.15 H new ATOM 936 N PHE A 560 1.762 4.167 0.089 1.00 0.14 N ATOM 937 CA PHE A 560 2.488 3.177 0.877 1.00 0.15 C ATOM 938 C PHE A 560 1.527 2.420 1.781 1.00 0.14 C ATOM 939 O PHE A 560 0.556 2.986 2.285 1.00 0.16 O ATOM 940 CB PHE A 560 3.574 3.820 1.745 1.00 0.16 C ATOM 941 CG PHE A 560 4.710 4.448 0.990 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.684 3.660 0.402 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.822 5.825 0.895 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.746 4.231 -0.270 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.880 6.403 0.221 1.00 0.35 C ATOM 946 CZ PHE A 560 6.844 5.606 -0.361 1.00 0.30 C ATOM 0 H PHE A 560 1.279 4.872 0.646 1.00 0.14 H new ATOM 0 HA PHE A 560 2.965 2.495 0.173 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.111 4.582 2.372 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.979 3.060 2.413 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.612 2.585 0.470 1.00 0.26 H new ATOM 0 HD2 PHE A 560 4.073 6.454 1.353 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.499 3.604 -0.724 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.953 7.478 0.150 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.673 6.056 -0.887 1.00 0.30 H new ATOM 956 N LEU A 561 1.811 1.144 1.980 1.00 0.14 N ATOM 957 CA LEU A 561 0.982 0.288 2.807 1.00 0.14 C ATOM 958 C LEU A 561 1.858 -0.552 3.734 1.00 0.16 C ATOM 959 O LEU A 561 2.701 -1.321 3.278 1.00 0.18 O ATOM 960 CB LEU A 561 0.136 -0.616 1.906 1.00 0.15 C ATOM 961 CG LEU A 561 -0.837 -1.553 2.618 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.911 -0.755 3.343 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.466 -2.513 1.618 1.00 0.20 C ATOM 0 H LEU A 561 2.620 0.675 1.574 1.00 0.14 H new ATOM 0 HA LEU A 561 0.322 0.901 3.421 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.433 0.015 1.224 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.809 -1.219 1.296 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.286 -2.133 3.358 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.596 -1.439 3.845 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.444 -0.103 4.081 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.464 -0.151 2.623 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.158 -3.177 2.136 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.006 -1.946 0.860 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.685 -3.105 1.141 1.00 0.20 H new ATOM 975 N GLU A 562 1.669 -0.382 5.033 1.00 0.17 N ATOM 976 CA GLU A 562 2.405 -1.164 6.015 1.00 0.20 C ATOM 977 C GLU A 562 1.525 -2.285 6.547 1.00 0.18 C ATOM 978 O GLU A 562 0.352 -2.080 6.871 1.00 0.18 O ATOM 979 CB GLU A 562 2.902 -0.285 7.161 1.00 0.27 C ATOM 980 CG GLU A 562 4.350 -0.549 7.555 1.00 0.57 C ATOM 981 CD GLU A 562 4.589 -1.951 8.086 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.729 -2.890 7.275 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.656 -2.116 9.323 1.00 1.21 O ATOM 0 H GLU A 562 1.013 0.290 5.432 1.00 0.17 H new ATOM 0 HA GLU A 562 3.278 -1.596 5.526 1.00 0.20 H new ATOM 0 HB2 GLU A 562 2.798 0.762 6.875 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.264 -0.443 8.031 1.00 0.27 H new ATOM 0 HG2 GLU A 562 4.990 -0.384 6.688 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.649 0.174 8.314 1.00 0.57 H new ATOM 990 N MET A 563 2.112 -3.459 6.651 1.00 0.25 N ATOM 991 CA MET A 563 1.374 -4.672 6.942 1.00 0.23 C ATOM 992 C MET A 563 1.894 -5.303 8.223 1.00 0.27 C ATOM 993 O MET A 563 2.959 -4.924 8.696 1.00 0.39 O ATOM 994 CB MET A 563 1.503 -5.638 5.767 1.00 0.25 C ATOM 995 CG MET A 563 1.119 -5.001 4.443 1.00 0.25 C ATOM 996 SD MET A 563 1.618 -5.978 3.018 1.00 0.31 S ATOM 997 CE MET A 563 1.062 -4.925 1.676 1.00 0.25 C ATOM 0 H MET A 563 3.116 -3.600 6.536 1.00 0.25 H new ATOM 0 HA MET A 563 0.320 -4.434 7.086 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.530 -5.998 5.708 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.870 -6.507 5.945 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.039 -4.856 4.416 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.575 -4.013 4.376 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.252 -5.419 0.723 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.007 -4.736 1.780 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.602 -3.979 1.708 1.00 0.25 H new ATOM 1007 N ALA A 564 1.152 -6.234 8.800 1.00 0.28 N ATOM 1008 CA ALA A 564 1.534 -6.820 10.079 1.00 0.33 C ATOM 1009 C ALA A 564 2.905 -7.490 10.013 1.00 0.27 C ATOM 1010 O ALA A 564 3.730 -7.331 10.915 1.00 0.40 O ATOM 1011 CB ALA A 564 0.480 -7.820 10.527 1.00 0.50 C ATOM 0 H ALA A 564 0.285 -6.600 8.407 1.00 0.28 H new ATOM 0 HA ALA A 564 1.601 -6.012 10.807 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.773 -8.253 11.483 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.479 -7.313 10.637 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.389 -8.611 9.783 1.00 0.50 H new ATOM 1017 N TYR A 565 3.146 -8.229 8.937 1.00 0.27 N ATOM 1018 CA TYR A 565 4.391 -8.973 8.782 1.00 0.37 C ATOM 1019 C TYR A 565 4.840 -8.989 7.325 1.00 0.33 C ATOM 1020 O TYR A 565 4.052 -8.720 6.417 1.00 0.29 O ATOM 1021 CB TYR A 565 4.230 -10.409 9.287 1.00 0.55 C ATOM 1022 CG TYR A 565 4.013 -10.521 10.779 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.735 -10.652 11.306 1.00 0.75 C ATOM 1024 CD2 TYR A 565 5.087 -10.494 11.659 1.00 0.86 C ATOM 1025 CE1 TYR A 565 2.533 -10.750 12.667 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.893 -10.594 13.023 1.00 1.00 C ATOM 1027 CZ TYR A 565 3.613 -10.721 13.522 1.00 0.98 C ATOM 1028 OH TYR A 565 3.414 -10.820 14.880 1.00 1.15 O ATOM 0 H TYR A 565 2.495 -8.329 8.158 1.00 0.27 H new ATOM 0 HA TYR A 565 5.153 -8.470 9.378 1.00 0.37 H new ATOM 0 HB2 TYR A 565 3.387 -10.871 8.773 1.00 0.55 H new ATOM 0 HB3 TYR A 565 5.119 -10.979 9.017 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.886 -10.678 10.640 1.00 0.75 H new ATOM 0 HD2 TYR A 565 6.090 -10.393 11.271 1.00 0.86 H new ATOM 0 HE1 TYR A 565 1.532 -10.849 13.061 1.00 0.90 H new ATOM 0 HE2 TYR A 565 5.738 -10.573 13.695 1.00 1.00 H new ATOM 0 HH TYR A 565 4.278 -10.784 15.341 1.00 1.15 H new ATOM 1038 N THR A 566 6.110 -9.316 7.118 1.00 0.39 N ATOM 1039 CA THR A 566 6.688 -9.390 5.780 1.00 0.40 C ATOM 1040 C THR A 566 5.996 -10.472 4.947 1.00 0.36 C ATOM 1041 O THR A 566 5.942 -10.387 3.717 1.00 0.35 O ATOM 1042 CB THR A 566 8.214 -9.648 5.824 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.767 -9.569 4.504 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.538 -11.009 6.428 1.00 0.57 C ATOM 0 H THR A 566 6.766 -9.536 7.868 1.00 0.39 H new ATOM 0 HA THR A 566 6.526 -8.421 5.308 1.00 0.40 H new ATOM 0 HB THR A 566 8.657 -8.879 6.457 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.733 -9.732 4.544 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.618 -11.153 6.442 1.00 0.57 H new ATOM 0 HG22 THR A 566 8.153 -11.056 7.447 1.00 0.57 H new ATOM 0 HG23 THR A 566 8.075 -11.793 5.828 1.00 0.57 H new ATOM 1052 N GLU A 567 5.461 -11.480 5.631 1.00 0.38 N ATOM 1053 CA GLU A 567 4.706 -12.550 4.984 1.00 0.40 C ATOM 1054 C GLU A 567 3.474 -11.994 4.280 1.00 0.31 C ATOM 1055 O GLU A 567 3.048 -12.511 3.247 1.00 0.32 O ATOM 1056 CB GLU A 567 4.291 -13.603 6.010 1.00 0.49 C ATOM 1057 CG GLU A 567 3.540 -13.027 7.197 1.00 0.55 C ATOM 1058 CD GLU A 567 3.242 -14.061 8.255 1.00 0.71 C ATOM 1059 OE1 GLU A 567 4.171 -14.432 9.004 1.00 0.89 O ATOM 1060 OE2 GLU A 567 2.079 -14.500 8.352 1.00 0.84 O ATOM 0 H GLU A 567 5.538 -11.578 6.643 1.00 0.38 H new ATOM 0 HA GLU A 567 5.350 -13.016 4.238 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.665 -14.349 5.521 1.00 0.49 H new ATOM 0 HB3 GLU A 567 5.181 -14.120 6.369 1.00 0.49 H new ATOM 0 HG2 GLU A 567 4.128 -12.221 7.637 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.605 -12.587 6.851 1.00 0.55 H new ATOM 1067 N ALA A 568 2.910 -10.935 4.841 1.00 0.26 N ATOM 1068 CA ALA A 568 1.727 -10.323 4.272 1.00 0.24 C ATOM 1069 C ALA A 568 2.104 -9.581 3.003 1.00 0.21 C ATOM 1070 O ALA A 568 1.415 -9.672 1.990 1.00 0.22 O ATOM 1071 CB ALA A 568 1.072 -9.386 5.276 1.00 0.25 C ATOM 0 H ALA A 568 3.255 -10.485 5.689 1.00 0.26 H new ATOM 0 HA ALA A 568 1.004 -11.100 4.025 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.185 -8.936 4.829 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.785 -9.948 6.165 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.776 -8.601 5.554 1.00 0.25 H new ATOM 1077 N ALA A 569 3.238 -8.890 3.053 1.00 0.19 N ATOM 1078 CA ALA A 569 3.710 -8.103 1.925 1.00 0.21 C ATOM 1079 C ALA A 569 4.028 -8.991 0.734 1.00 0.22 C ATOM 1080 O ALA A 569 3.609 -8.713 -0.386 1.00 0.24 O ATOM 1081 CB ALA A 569 4.940 -7.306 2.327 1.00 0.23 C ATOM 0 H ALA A 569 3.849 -8.861 3.869 1.00 0.19 H new ATOM 0 HA ALA A 569 2.916 -7.416 1.632 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.287 -6.719 1.477 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.687 -6.638 3.150 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.729 -7.989 2.643 1.00 0.23 H new ATOM 1087 N GLN A 570 4.731 -10.087 0.990 1.00 0.24 N ATOM 1088 CA GLN A 570 5.151 -10.982 -0.079 1.00 0.28 C ATOM 1089 C GLN A 570 3.941 -11.623 -0.749 1.00 0.27 C ATOM 1090 O GLN A 570 3.930 -11.829 -1.961 1.00 0.29 O ATOM 1091 CB GLN A 570 6.114 -12.054 0.447 1.00 0.34 C ATOM 1092 CG GLN A 570 5.494 -13.010 1.452 1.00 0.38 C ATOM 1093 CD GLN A 570 6.509 -13.938 2.087 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.676 -13.585 2.247 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.073 -15.129 2.454 1.00 1.04 N ATOM 0 H GLN A 570 5.021 -10.376 1.924 1.00 0.24 H new ATOM 0 HA GLN A 570 5.683 -10.391 -0.825 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.496 -12.629 -0.397 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.969 -11.562 0.910 1.00 0.34 H new ATOM 0 HG2 GLN A 570 4.996 -12.435 2.233 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.727 -13.604 0.955 1.00 0.38 H new ATOM 0 HE21 GLN A 570 5.097 -15.383 2.304 1.00 1.04 H new ATOM 0 HE22 GLN A 570 6.712 -15.795 2.888 1.00 1.04 H new ATOM 1104 N ALA A 571 2.919 -11.920 0.045 1.00 0.26 N ATOM 1105 CA ALA A 571 1.702 -12.525 -0.469 1.00 0.27 C ATOM 1106 C ALA A 571 0.947 -11.554 -1.371 1.00 0.25 C ATOM 1107 O ALA A 571 0.494 -11.921 -2.455 1.00 0.27 O ATOM 1108 CB ALA A 571 0.817 -12.977 0.680 1.00 0.31 C ATOM 0 H ALA A 571 2.912 -11.750 1.051 1.00 0.26 H new ATOM 0 HA ALA A 571 1.978 -13.394 -1.066 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.092 -13.429 0.283 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.352 -13.709 1.285 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.555 -12.118 1.298 1.00 0.31 H new ATOM 1114 N MET A 572 0.824 -10.310 -0.921 1.00 0.25 N ATOM 1115 CA MET A 572 0.090 -9.302 -1.678 1.00 0.28 C ATOM 1116 C MET A 572 0.837 -8.929 -2.948 1.00 0.24 C ATOM 1117 O MET A 572 0.240 -8.846 -4.019 1.00 0.24 O ATOM 1118 CB MET A 572 -0.163 -8.050 -0.838 1.00 0.37 C ATOM 1119 CG MET A 572 -0.792 -8.348 0.508 1.00 0.47 C ATOM 1120 SD MET A 572 -1.462 -6.885 1.308 1.00 0.36 S ATOM 1121 CE MET A 572 -1.383 -7.390 3.024 1.00 0.33 C ATOM 0 H MET A 572 1.220 -9.977 -0.042 1.00 0.25 H new ATOM 0 HA MET A 572 -0.873 -9.736 -1.948 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.781 -7.528 -0.682 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.813 -7.374 -1.393 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.588 -9.081 0.377 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.045 -8.802 1.159 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.399 -6.508 3.664 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.239 -8.023 3.257 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.462 -7.947 3.197 1.00 0.33 H new ATOM 1131 N VAL A 573 2.148 -8.733 -2.837 1.00 0.24 N ATOM 1132 CA VAL A 573 2.954 -8.341 -3.985 1.00 0.27 C ATOM 1133 C VAL A 573 2.848 -9.384 -5.096 1.00 0.25 C ATOM 1134 O VAL A 573 2.609 -9.043 -6.247 1.00 0.28 O ATOM 1135 CB VAL A 573 4.439 -8.128 -3.594 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.298 -7.862 -4.821 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.571 -6.978 -2.608 1.00 0.32 C ATOM 0 H VAL A 573 2.671 -8.839 -1.968 1.00 0.24 H new ATOM 0 HA VAL A 573 2.563 -7.391 -4.350 1.00 0.27 H new ATOM 0 HB VAL A 573 4.793 -9.044 -3.121 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.334 -7.717 -4.515 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.236 -8.712 -5.500 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.940 -6.966 -5.328 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.620 -6.843 -2.345 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.190 -6.063 -3.063 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.997 -7.202 -1.709 1.00 0.32 H new ATOM 1147 N GLN A 574 2.981 -10.656 -4.739 1.00 0.23 N ATOM 1148 CA GLN A 574 2.860 -11.736 -5.716 1.00 0.25 C ATOM 1149 C GLN A 574 1.465 -11.758 -6.333 1.00 0.23 C ATOM 1150 O GLN A 574 1.306 -12.020 -7.526 1.00 0.26 O ATOM 1151 CB GLN A 574 3.155 -13.089 -5.069 1.00 0.28 C ATOM 1152 CG GLN A 574 4.597 -13.254 -4.624 1.00 0.33 C ATOM 1153 CD GLN A 574 4.829 -14.564 -3.901 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.166 -15.577 -4.512 1.00 2.04 O ATOM 1155 NE2 GLN A 574 4.640 -14.554 -2.593 1.00 2.09 N ATOM 0 H GLN A 574 3.172 -10.966 -3.786 1.00 0.23 H new ATOM 0 HA GLN A 574 3.591 -11.552 -6.503 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.501 -13.219 -4.207 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.910 -13.881 -5.777 1.00 0.28 H new ATOM 0 HG2 GLN A 574 5.252 -13.201 -5.494 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.870 -12.427 -3.969 1.00 0.33 H new ATOM 0 HE21 GLN A 574 4.361 -13.692 -2.125 1.00 2.09 H new ATOM 0 HE22 GLN A 574 4.774 -15.408 -2.052 1.00 2.09 H new ATOM 1164 N TYR A 575 0.461 -11.470 -5.514 1.00 0.20 N ATOM 1165 CA TYR A 575 -0.919 -11.524 -5.970 1.00 0.20 C ATOM 1166 C TYR A 575 -1.200 -10.419 -6.981 1.00 0.20 C ATOM 1167 O TYR A 575 -1.653 -10.687 -8.086 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.891 -11.409 -4.790 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.347 -11.410 -5.205 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.070 -10.228 -5.272 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -3.996 -12.595 -5.526 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.400 -10.226 -5.644 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.326 -12.601 -5.900 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.016 -11.409 -5.977 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.348 -11.416 -6.325 1.00 0.48 O ATOM 0 H TYR A 575 0.577 -11.199 -4.538 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.069 -12.489 -6.454 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.716 -12.238 -4.104 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.678 -10.491 -4.242 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.585 -9.294 -5.029 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.452 -13.527 -5.483 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -5.954 -9.299 -5.673 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -5.822 -13.532 -6.130 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.627 -12.332 -6.532 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.892 -9.185 -6.604 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.218 -8.026 -7.430 1.00 0.25 C ATOM 1187 C TYR A 576 -0.278 -7.859 -8.626 1.00 0.30 C ATOM 1188 O TYR A 576 -0.562 -7.077 -9.532 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.256 -6.760 -6.571 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.353 -6.797 -5.522 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.678 -6.554 -5.862 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.065 -7.089 -4.195 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.679 -6.599 -4.908 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.061 -7.135 -3.237 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.365 -6.888 -3.599 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.362 -6.937 -2.651 1.00 0.35 O ATOM 0 H TYR A 576 -0.416 -8.959 -5.731 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.208 -8.200 -7.851 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.292 -6.631 -6.079 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.404 -5.893 -7.215 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.931 -6.326 -6.887 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.043 -7.284 -3.906 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.704 -6.408 -5.189 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.817 -7.364 -2.210 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.017 -6.604 -1.796 1.00 0.35 H new ATOM 1206 N GLN A 577 0.840 -8.574 -8.630 1.00 0.31 N ATOM 1207 CA GLN A 577 1.711 -8.573 -9.806 1.00 0.38 C ATOM 1208 C GLN A 577 1.054 -9.340 -10.947 1.00 0.37 C ATOM 1209 O GLN A 577 1.080 -8.907 -12.099 1.00 0.42 O ATOM 1210 CB GLN A 577 3.079 -9.191 -9.512 1.00 0.45 C ATOM 1211 CG GLN A 577 4.001 -8.311 -8.688 1.00 0.52 C ATOM 1212 CD GLN A 577 5.353 -8.958 -8.463 1.00 1.04 C ATOM 1213 OE1 GLN A 577 6.293 -8.748 -9.229 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.452 -9.770 -7.424 1.00 1.57 N ATOM 0 H GLN A 577 1.163 -9.151 -7.853 1.00 0.31 H new ATOM 0 HA GLN A 577 1.862 -7.531 -10.089 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.932 -10.135 -8.987 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.569 -9.425 -10.457 1.00 0.45 H new ATOM 0 HG2 GLN A 577 4.136 -7.355 -9.193 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.536 -8.100 -7.725 1.00 0.52 H new ATOM 0 HE21 GLN A 577 4.648 -9.917 -6.813 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.332 -10.249 -7.233 1.00 1.57 H new ATOM 1223 N GLU A 578 0.467 -10.482 -10.619 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.187 -11.307 -11.624 1.00 0.38 C ATOM 1225 C GLU A 578 -1.666 -10.961 -11.749 1.00 0.33 C ATOM 1226 O GLU A 578 -2.220 -10.972 -12.847 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.008 -12.788 -11.291 1.00 0.42 C ATOM 1228 CG GLU A 578 1.445 -13.182 -11.095 1.00 0.52 C ATOM 1229 CD GLU A 578 1.642 -14.678 -11.016 1.00 1.24 C ATOM 1230 OE1 GLU A 578 1.306 -15.270 -9.972 1.00 2.14 O ATOM 1231 OE2 GLU A 578 2.150 -15.264 -11.993 1.00 1.31 O ATOM 0 H GLU A 578 0.430 -10.857 -9.671 1.00 0.35 H new ATOM 0 HA GLU A 578 0.283 -11.103 -12.586 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -0.567 -13.021 -10.385 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -0.436 -13.389 -12.093 1.00 0.42 H new ATOM 0 HG2 GLU A 578 2.038 -12.785 -11.919 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.821 -12.722 -10.181 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.306 -10.653 -10.631 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.698 -10.230 -10.636 1.00 0.28 C ATOM 1240 C LYS A 579 -3.824 -8.874 -9.943 1.00 0.25 C ATOM 1241 O LYS A 579 -4.151 -8.805 -8.758 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.575 -11.257 -9.909 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.462 -12.671 -10.456 1.00 0.42 C ATOM 1244 CD LYS A 579 -5.353 -13.634 -9.686 1.00 0.69 C ATOM 1245 CE LYS A 579 -5.177 -15.067 -10.159 1.00 1.69 C ATOM 1246 NZ LYS A 579 -6.083 -16.002 -9.440 1.00 2.46 N ATOM 0 H LYS A 579 -1.881 -10.688 -9.705 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.034 -10.149 -11.670 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.306 -11.265 -8.853 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.615 -10.938 -9.970 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -4.740 -12.679 -11.510 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -3.426 -13.004 -10.397 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.122 -13.571 -8.623 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.395 -13.338 -9.804 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -5.373 -15.123 -11.230 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -4.142 -15.375 -10.008 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -5.933 -16.969 -9.791 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -5.879 -15.968 -8.421 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -7.071 -15.723 -9.605 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.552 -7.779 -10.669 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.593 -6.425 -10.103 1.00 0.25 C ATOM 1262 C PRO A 580 -5.001 -6.009 -9.688 1.00 0.22 C ATOM 1263 O PRO A 580 -5.992 -6.572 -10.157 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.090 -5.539 -11.246 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.343 -6.324 -12.484 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.189 -7.767 -12.097 1.00 0.32 C ATOM 0 HA PRO A 580 -2.995 -6.350 -9.195 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.619 -4.586 -11.268 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.030 -5.313 -11.132 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.342 -6.129 -12.873 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.637 -6.053 -13.269 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.843 -8.412 -12.683 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.170 -8.119 -12.255 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.086 -5.009 -8.822 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.372 -4.531 -8.343 1.00 0.22 C ATOM 1276 C ALA A 581 -6.869 -3.407 -9.225 1.00 0.20 C ATOM 1277 O ALA A 581 -6.090 -2.557 -9.643 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.254 -4.042 -6.912 1.00 0.27 C ATOM 0 H ALA A 581 -4.280 -4.515 -8.438 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.083 -5.357 -8.377 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.225 -3.687 -6.567 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.920 -4.860 -6.274 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.532 -3.227 -6.864 1.00 0.27 H new ATOM 1284 N ILE A 582 -8.154 -3.405 -9.524 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.704 -2.409 -10.420 1.00 0.26 C ATOM 1286 C ILE A 582 -9.482 -1.351 -9.649 1.00 0.28 C ATOM 1287 O ILE A 582 -10.464 -1.655 -8.971 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.630 -3.053 -11.472 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.951 -4.271 -12.108 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.994 -2.031 -12.540 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.822 -5.005 -13.104 1.00 0.51 C ATOM 0 H ILE A 582 -8.831 -4.077 -9.162 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.863 -1.937 -10.929 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.543 -3.387 -10.979 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -8.038 -3.947 -12.608 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.654 -4.963 -11.320 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.648 -2.494 -13.279 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.508 -1.189 -12.077 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -9.087 -1.677 -13.030 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.273 -5.854 -13.511 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.724 -5.361 -12.606 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.098 -4.329 -13.914 1.00 0.51 H new ATOM 1303 N ILE A 583 -9.030 -0.112 -9.751 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.753 1.020 -9.196 1.00 0.33 C ATOM 1305 C ILE A 583 -10.081 2.006 -10.302 1.00 0.36 C ATOM 1306 O ILE A 583 -9.181 2.638 -10.857 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.941 1.751 -8.102 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.776 0.874 -6.856 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.603 3.073 -7.747 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.076 0.567 -6.145 1.00 0.51 C ATOM 0 H ILE A 583 -8.158 0.136 -10.218 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.664 0.632 -8.741 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.946 1.956 -8.497 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.301 -0.064 -7.144 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.101 1.372 -6.160 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -9.020 3.576 -6.976 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.653 3.705 -8.634 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.611 2.887 -7.377 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.876 -0.058 -5.274 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.544 1.498 -5.824 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.746 0.039 -6.824 1.00 0.51 H new ATOM 1322 N ASN A 584 -11.365 2.118 -10.626 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.835 3.034 -11.663 1.00 0.47 C ATOM 1324 C ASN A 584 -11.036 2.843 -12.949 1.00 0.45 C ATOM 1325 O ASN A 584 -10.616 3.803 -13.595 1.00 0.50 O ATOM 1326 CB ASN A 584 -11.782 4.491 -11.183 1.00 0.55 C ATOM 1327 CG ASN A 584 -12.792 4.769 -10.082 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -13.822 4.100 -9.987 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -12.520 5.762 -9.254 1.00 0.91 N ATOM 0 H ASN A 584 -12.108 1.579 -10.180 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.878 2.800 -11.876 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -10.779 4.716 -10.819 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.972 5.156 -12.025 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -13.173 5.996 -8.506 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.657 6.295 -9.363 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.830 1.580 -13.290 1.00 0.42 N ATOM 1337 CA GLY A 585 -10.152 1.221 -14.519 1.00 0.44 C ATOM 1338 C GLY A 585 -8.634 1.186 -14.420 1.00 0.39 C ATOM 1339 O GLY A 585 -7.964 0.822 -15.387 1.00 0.42 O ATOM 0 H GLY A 585 -11.126 0.784 -12.726 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.504 0.241 -14.840 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.436 1.931 -15.296 1.00 0.44 H new ATOM 1343 N GLU A 586 -8.078 1.549 -13.273 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.627 1.550 -13.122 1.00 0.32 C ATOM 1345 C GLU A 586 -6.146 0.307 -12.380 1.00 0.24 C ATOM 1346 O GLU A 586 -6.634 -0.010 -11.295 1.00 0.26 O ATOM 1347 CB GLU A 586 -6.163 2.803 -12.374 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.443 4.101 -13.113 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.781 4.156 -14.474 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.551 3.956 -14.550 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -6.484 4.403 -15.478 1.00 1.79 O ATOM 0 H GLU A 586 -8.597 1.842 -12.445 1.00 0.35 H new ATOM 0 HA GLU A 586 -6.195 1.547 -14.123 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.655 2.837 -11.402 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -5.092 2.727 -12.187 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.520 4.221 -13.233 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.094 4.939 -12.510 1.00 0.57 H new ATOM 1358 N LYS A 587 -5.206 -0.402 -13.002 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.550 -1.547 -12.378 1.00 0.19 C ATOM 1360 C LYS A 587 -3.526 -1.081 -11.348 1.00 0.17 C ATOM 1361 O LYS A 587 -2.572 -0.378 -11.683 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.837 -2.406 -13.425 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.699 -2.812 -14.610 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.942 -3.573 -14.187 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.669 -4.141 -15.396 1.00 1.10 C ATOM 1366 NZ LYS A 587 -6.954 -3.098 -16.417 1.00 1.67 N ATOM 0 H LYS A 587 -4.880 -0.200 -13.947 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.322 -2.140 -11.888 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.970 -1.858 -13.795 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.462 -3.307 -12.941 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.993 -1.921 -15.164 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.111 -3.430 -15.289 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.665 -4.382 -13.511 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.609 -2.910 -13.635 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.066 -4.931 -15.844 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -7.605 -4.598 -15.074 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.620 -3.475 -17.122 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -7.373 -2.266 -15.955 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -6.069 -2.823 -16.889 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.726 -1.480 -10.106 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.829 -1.106 -9.026 1.00 0.15 C ATOM 1382 C LEU A 588 -1.727 -2.141 -8.853 1.00 0.17 C ATOM 1383 O LEU A 588 -1.978 -3.346 -8.907 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.611 -0.972 -7.722 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.852 -0.085 -7.799 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.505 0.031 -6.437 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.502 1.286 -8.346 1.00 0.16 C ATOM 0 H LEU A 588 -4.508 -2.068 -9.817 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.372 -0.149 -9.279 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.914 -1.966 -7.394 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.945 -0.573 -6.957 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.563 -0.549 -8.483 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.388 0.666 -6.510 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.798 -0.959 -6.089 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.799 0.470 -5.731 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.401 1.900 -8.392 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.770 1.762 -7.693 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.082 1.182 -9.347 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.513 -1.660 -8.647 1.00 0.17 N ATOM 1400 CA LEU A 589 0.631 -2.540 -8.461 1.00 0.19 C ATOM 1401 C LEU A 589 1.193 -2.396 -7.050 1.00 0.18 C ATOM 1402 O LEU A 589 1.558 -1.297 -6.632 1.00 0.18 O ATOM 1403 CB LEU A 589 1.712 -2.258 -9.508 1.00 0.23 C ATOM 1404 CG LEU A 589 2.910 -3.208 -9.471 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.456 -4.643 -9.678 1.00 0.37 C ATOM 1406 CD2 LEU A 589 3.931 -2.826 -10.528 1.00 0.38 C ATOM 0 H LEU A 589 -0.293 -0.665 -8.604 1.00 0.17 H new ATOM 0 HA LEU A 589 0.295 -3.569 -8.593 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.259 -2.307 -10.498 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.072 -1.238 -9.372 1.00 0.23 H new ATOM 0 HG LEU A 589 3.379 -3.126 -8.491 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.321 -5.306 -9.649 1.00 0.37 H new ATOM 0 HD12 LEU A 589 1.758 -4.921 -8.888 1.00 0.37 H new ATOM 0 HD13 LEU A 589 1.963 -4.733 -10.646 1.00 0.37 H new ATOM 0 HD21 LEU A 589 4.775 -3.514 -10.484 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.470 -2.879 -11.515 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.282 -1.810 -10.345 1.00 0.38 H new ATOM 1418 N ILE A 590 1.237 -3.497 -6.314 1.00 0.18 N ATOM 1419 CA ILE A 590 1.807 -3.497 -4.972 1.00 0.18 C ATOM 1420 C ILE A 590 3.166 -4.195 -4.974 1.00 0.20 C ATOM 1421 O ILE A 590 3.269 -5.354 -5.374 1.00 0.26 O ATOM 1422 CB ILE A 590 0.865 -4.195 -3.962 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.519 -3.533 -3.990 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.460 -4.158 -2.558 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.474 -4.034 -2.926 1.00 0.21 C ATOM 0 H ILE A 590 0.885 -4.403 -6.623 1.00 0.18 H new ATOM 0 HA ILE A 590 1.933 -2.459 -4.664 1.00 0.18 H new ATOM 0 HB ILE A 590 0.753 -5.240 -4.250 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.396 -2.456 -3.873 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.967 -3.697 -4.970 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.783 -4.654 -1.863 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.421 -4.672 -2.557 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.602 -3.122 -2.250 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.427 -3.513 -3.018 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.632 -5.105 -3.054 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.051 -3.845 -1.939 1.00 0.21 H new ATOM 1437 N ARG A 591 4.204 -3.484 -4.536 1.00 0.18 N ATOM 1438 CA ARG A 591 5.572 -4.007 -4.531 1.00 0.22 C ATOM 1439 C ARG A 591 6.352 -3.433 -3.350 1.00 0.18 C ATOM 1440 O ARG A 591 5.909 -2.479 -2.716 1.00 0.19 O ATOM 1441 CB ARG A 591 6.299 -3.682 -5.844 1.00 0.33 C ATOM 1442 CG ARG A 591 5.766 -4.444 -7.050 1.00 0.45 C ATOM 1443 CD ARG A 591 6.718 -4.366 -8.233 1.00 0.65 C ATOM 1444 NE ARG A 591 7.966 -5.090 -7.985 1.00 1.33 N ATOM 1445 CZ ARG A 591 8.843 -5.411 -8.937 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.613 -5.069 -10.199 1.00 1.56 N ATOM 1447 NH2 ARG A 591 9.948 -6.083 -8.631 1.00 2.62 N ATOM 0 H ARG A 591 4.123 -2.533 -4.176 1.00 0.18 H new ATOM 0 HA ARG A 591 5.515 -5.091 -4.433 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.218 -2.612 -6.038 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.359 -3.905 -5.725 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.607 -5.488 -6.779 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.796 -4.038 -7.337 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.231 -4.777 -9.117 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.942 -3.321 -8.449 1.00 0.65 H new ATOM 0 HE ARG A 591 8.178 -5.366 -7.026 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.764 -4.559 -10.443 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.286 -5.316 -10.925 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.128 -6.355 -7.665 1.00 2.62 H new ATOM 0 HH22 ARG A 591 10.616 -6.326 -9.362 1.00 2.62 H new ATOM 1461 N MET A 592 7.507 -4.014 -3.053 1.00 0.17 N ATOM 1462 CA MET A 592 8.316 -3.568 -1.920 1.00 0.18 C ATOM 1463 C MET A 592 9.139 -2.343 -2.305 1.00 0.21 C ATOM 1464 O MET A 592 9.500 -2.171 -3.469 1.00 0.29 O ATOM 1465 CB MET A 592 9.245 -4.683 -1.433 1.00 0.19 C ATOM 1466 CG MET A 592 8.517 -5.859 -0.802 1.00 0.22 C ATOM 1467 SD MET A 592 9.649 -7.046 -0.052 1.00 0.29 S ATOM 1468 CE MET A 592 8.499 -8.278 0.556 1.00 0.34 C ATOM 0 H MET A 592 7.906 -4.793 -3.577 1.00 0.17 H new ATOM 0 HA MET A 592 7.638 -3.305 -1.109 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.836 -5.044 -2.275 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.944 -4.269 -0.707 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.826 -5.491 -0.044 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.918 -6.362 -1.561 1.00 0.22 H new ATOM 0 HE1 MET A 592 9.051 -9.080 1.047 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.816 -7.817 1.270 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.930 -8.687 -0.278 1.00 0.34 H new ATOM 1478 N SER A 593 9.432 -1.497 -1.324 1.00 0.23 N ATOM 1479 CA SER A 593 10.179 -0.273 -1.574 1.00 0.26 C ATOM 1480 C SER A 593 11.680 -0.518 -1.527 1.00 0.25 C ATOM 1481 O SER A 593 12.189 -1.215 -0.645 1.00 0.27 O ATOM 1482 CB SER A 593 9.808 0.802 -0.560 1.00 0.34 C ATOM 1483 OG SER A 593 10.487 2.022 -0.823 1.00 1.37 O ATOM 0 H SER A 593 9.164 -1.637 -0.350 1.00 0.23 H new ATOM 0 HA SER A 593 9.914 0.069 -2.575 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.731 0.971 -0.585 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.054 0.457 0.444 1.00 0.34 H new ATOM 0 HG SER A 593 10.099 2.448 -1.615 1.00 1.37 H new ATOM 1489 N THR A 594 12.367 0.069 -2.490 1.00 0.27 N ATOM 1490 CA THR A 594 13.807 -0.034 -2.597 1.00 0.30 C ATOM 1491 C THR A 594 14.511 1.085 -1.833 1.00 0.31 C ATOM 1492 O THR A 594 15.691 0.973 -1.492 1.00 0.33 O ATOM 1493 CB THR A 594 14.220 0.023 -4.075 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.554 1.122 -4.717 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.870 -1.272 -4.788 1.00 0.38 C ATOM 0 H THR A 594 11.937 0.633 -3.223 1.00 0.27 H new ATOM 0 HA THR A 594 14.106 -0.986 -2.158 1.00 0.30 H new ATOM 0 HB THR A 594 15.300 0.163 -4.127 1.00 0.35 H new ATOM 0 HG1 THR A 594 12.674 0.830 -5.036 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.173 -1.205 -5.833 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.391 -2.102 -4.311 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.794 -1.439 -4.732 1.00 0.38 H new ATOM 1503 N ARG A 595 13.787 2.165 -1.558 1.00 0.32 N ATOM 1504 CA ARG A 595 14.405 3.362 -0.999 1.00 0.37 C ATOM 1505 C ARG A 595 14.134 3.520 0.496 1.00 0.37 C ATOM 1506 O ARG A 595 14.958 4.071 1.223 1.00 0.41 O ATOM 1507 CB ARG A 595 13.919 4.603 -1.746 1.00 0.41 C ATOM 1508 CG ARG A 595 14.413 4.680 -3.180 1.00 0.46 C ATOM 1509 CD ARG A 595 13.899 5.924 -3.887 1.00 0.56 C ATOM 1510 NE ARG A 595 14.267 7.156 -3.188 1.00 1.36 N ATOM 1511 CZ ARG A 595 14.055 8.378 -3.675 1.00 1.67 C ATOM 1512 NH1 ARG A 595 13.505 8.533 -4.873 1.00 1.16 N ATOM 1513 NH2 ARG A 595 14.397 9.446 -2.966 1.00 2.75 N ATOM 0 H ARG A 595 12.781 2.236 -1.711 1.00 0.32 H new ATOM 0 HA ARG A 595 15.482 3.251 -1.124 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.829 4.614 -1.745 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.248 5.493 -1.209 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.503 4.680 -3.190 1.00 0.46 H new ATOM 0 HG3 ARG A 595 14.090 3.793 -3.724 1.00 0.46 H new ATOM 0 HD2 ARG A 595 14.297 5.952 -4.901 1.00 0.56 H new ATOM 0 HD3 ARG A 595 12.814 5.868 -3.972 1.00 0.56 H new ATOM 0 HE ARG A 595 14.712 7.074 -2.274 1.00 1.36 H new ATOM 0 HH11 ARG A 595 13.243 7.715 -5.424 1.00 1.16 H new ATOM 0 HH12 ARG A 595 13.344 9.470 -5.243 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.823 9.333 -2.046 1.00 2.75 H new ATOM 0 HH22 ARG A 595 14.234 10.381 -3.341 1.00 2.75 H new ATOM 1527 N TYR A 596 12.994 3.027 0.959 1.00 0.35 N ATOM 1528 CA TYR A 596 12.606 3.224 2.351 1.00 0.37 C ATOM 1529 C TYR A 596 12.527 1.908 3.110 1.00 0.35 C ATOM 1530 O TYR A 596 12.108 0.883 2.568 1.00 0.36 O ATOM 1531 CB TYR A 596 11.268 3.964 2.436 1.00 0.39 C ATOM 1532 CG TYR A 596 11.345 5.418 2.019 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.052 5.812 0.720 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.710 6.396 2.934 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.123 7.142 0.345 1.00 0.54 C ATOM 1536 CE2 TYR A 596 11.783 7.726 2.568 1.00 0.61 C ATOM 1537 CZ TYR A 596 11.490 8.094 1.273 1.00 0.56 C ATOM 1538 OH TYR A 596 11.563 9.420 0.906 1.00 0.65 O ATOM 0 H TYR A 596 12.328 2.494 0.400 1.00 0.35 H new ATOM 0 HA TYR A 596 13.380 3.831 2.821 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.540 3.453 1.805 1.00 0.39 H new ATOM 0 HB3 TYR A 596 10.897 3.909 3.460 1.00 0.39 H new ATOM 0 HD1 TYR A 596 10.764 5.069 -0.009 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.941 6.112 3.950 1.00 0.54 H new ATOM 0 HE1 TYR A 596 10.892 7.433 -0.669 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.068 8.474 3.293 1.00 0.61 H new ATOM 0 HH TYR A 596 11.176 9.534 0.013 1.00 0.65 H new ATOM 1548 N LYS A 597 12.964 1.944 4.364 1.00 0.38 N ATOM 1549 CA LYS A 597 12.913 0.775 5.234 1.00 0.41 C ATOM 1550 C LYS A 597 11.865 0.943 6.333 1.00 0.41 C ATOM 1551 O LYS A 597 11.515 -0.020 7.005 1.00 0.48 O ATOM 1552 CB LYS A 597 14.281 0.488 5.865 1.00 0.50 C ATOM 1553 CG LYS A 597 15.351 0.060 4.865 1.00 0.62 C ATOM 1554 CD LYS A 597 15.878 1.235 4.051 1.00 1.29 C ATOM 1555 CE LYS A 597 16.772 0.777 2.909 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.981 0.059 3.391 1.00 2.18 N ATOM 0 H LYS A 597 13.360 2.775 4.803 1.00 0.38 H new ATOM 0 HA LYS A 597 12.631 -0.073 4.609 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.623 1.382 6.387 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.166 -0.294 6.615 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.177 -0.411 5.398 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.937 -0.691 4.191 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.039 1.804 3.650 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.437 1.907 4.703 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.205 0.124 2.246 1.00 1.67 H new ATOM 0 HE3 LYS A 597 17.077 1.642 2.320 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.592 -0.174 2.582 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.503 0.665 4.056 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.695 -0.817 3.872 1.00 2.18 H new ATOM 1570 N GLU A 598 11.363 2.160 6.516 1.00 0.38 N ATOM 1571 CA GLU A 598 10.361 2.407 7.548 1.00 0.41 C ATOM 1572 C GLU A 598 9.333 3.435 7.089 1.00 0.34 C ATOM 1573 O GLU A 598 9.632 4.320 6.284 1.00 0.33 O ATOM 1574 CB GLU A 598 11.031 2.897 8.839 1.00 0.55 C ATOM 1575 CG GLU A 598 10.046 3.244 9.948 1.00 0.62 C ATOM 1576 CD GLU A 598 10.720 3.786 11.188 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.928 3.013 12.146 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.059 4.986 11.207 1.00 0.91 O ATOM 0 H GLU A 598 11.629 2.981 5.972 1.00 0.38 H new ATOM 0 HA GLU A 598 9.848 1.464 7.739 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.713 2.126 9.199 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.635 3.776 8.613 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.334 3.981 9.577 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.475 2.354 10.211 1.00 0.62 H new ATOM 1585 N LEU A 599 8.126 3.304 7.618 1.00 0.36 N ATOM 1586 CA LEU A 599 7.064 4.267 7.386 1.00 0.32 C ATOM 1587 C LEU A 599 6.608 4.875 8.700 1.00 0.33 C ATOM 1588 O LEU A 599 6.186 4.159 9.612 1.00 0.37 O ATOM 1589 CB LEU A 599 5.871 3.606 6.691 1.00 0.33 C ATOM 1590 CG LEU A 599 6.180 2.943 5.351 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.919 2.362 4.744 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.811 3.936 4.391 1.00 0.33 C ATOM 0 H LEU A 599 7.857 2.526 8.220 1.00 0.36 H new ATOM 0 HA LEU A 599 7.458 5.052 6.740 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.452 2.855 7.361 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.099 4.360 6.535 1.00 0.33 H new ATOM 0 HG LEU A 599 6.890 2.135 5.529 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.157 1.893 3.789 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.500 1.616 5.420 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.191 3.158 4.586 1.00 0.45 H new ATOM 0 HD21 LEU A 599 7.023 3.441 3.443 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.124 4.766 4.222 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.740 4.315 4.818 1.00 0.33 H new ATOM 1604 N GLN A 600 6.700 6.188 8.811 1.00 0.36 N ATOM 1605 CA GLN A 600 6.175 6.872 9.975 1.00 0.44 C ATOM 1606 C GLN A 600 5.005 7.751 9.563 1.00 0.39 C ATOM 1607 O GLN A 600 5.057 8.430 8.537 1.00 0.43 O ATOM 1608 CB GLN A 600 7.248 7.698 10.694 1.00 0.59 C ATOM 1609 CG GLN A 600 7.756 8.897 9.912 1.00 0.85 C ATOM 1610 CD GLN A 600 8.597 9.823 10.765 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.816 9.677 10.851 1.00 1.52 O ATOM 1612 NE2 GLN A 600 7.951 10.779 11.415 1.00 1.34 N ATOM 0 H GLN A 600 7.130 6.796 8.114 1.00 0.36 H new ATOM 0 HA GLN A 600 5.833 6.118 10.683 1.00 0.44 H new ATOM 0 HB2 GLN A 600 6.843 8.046 11.644 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.092 7.049 10.926 1.00 0.59 H new ATOM 0 HG2 GLN A 600 8.347 8.551 9.064 1.00 0.85 H new ATOM 0 HG3 GLN A 600 6.908 9.449 9.506 1.00 0.85 H new ATOM 0 HE21 GLN A 600 6.940 10.868 11.318 1.00 1.34 H new ATOM 0 HE22 GLN A 600 8.465 11.426 12.013 1.00 1.34 H new ATOM 1621 N LEU A 601 3.949 7.724 10.353 1.00 0.37 N ATOM 1622 CA LEU A 601 2.741 8.461 10.029 1.00 0.34 C ATOM 1623 C LEU A 601 2.882 9.930 10.403 1.00 0.39 C ATOM 1624 O LEU A 601 2.731 10.304 11.567 1.00 0.46 O ATOM 1625 CB LEU A 601 1.537 7.850 10.742 1.00 0.36 C ATOM 1626 CG LEU A 601 1.260 6.383 10.413 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.000 5.915 11.118 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.134 6.183 8.909 1.00 0.32 C ATOM 0 H LEU A 601 3.902 7.199 11.226 1.00 0.37 H new ATOM 0 HA LEU A 601 2.584 8.395 8.952 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.687 7.942 11.818 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.652 8.435 10.492 1.00 0.36 H new ATOM 0 HG LEU A 601 2.100 5.786 10.767 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.186 4.869 10.875 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.125 6.021 12.196 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.846 6.519 10.790 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.937 5.132 8.697 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.312 6.790 8.529 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.062 6.483 8.423 1.00 0.32 H new ATOM 1640 N LYS A 602 3.190 10.753 9.411 1.00 0.41 N ATOM 1641 CA LYS A 602 3.268 12.192 9.605 1.00 0.48 C ATOM 1642 C LYS A 602 1.893 12.821 9.431 1.00 0.46 C ATOM 1643 O LYS A 602 1.689 13.996 9.731 1.00 0.51 O ATOM 1644 CB LYS A 602 4.270 12.820 8.634 1.00 0.59 C ATOM 1645 CG LYS A 602 5.715 12.468 8.955 1.00 0.69 C ATOM 1646 CD LYS A 602 6.699 13.299 8.144 1.00 0.93 C ATOM 1647 CE LYS A 602 6.555 13.051 6.653 1.00 1.49 C ATOM 1648 NZ LYS A 602 7.528 13.845 5.862 1.00 1.73 N ATOM 0 H LYS A 602 3.391 10.446 8.459 1.00 0.41 H new ATOM 0 HA LYS A 602 3.616 12.383 10.620 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.039 12.492 7.621 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.154 13.904 8.652 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.898 12.624 10.018 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.883 11.410 8.755 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.540 14.357 8.353 1.00 0.93 H new ATOM 0 HD3 LYS A 602 7.717 13.062 8.455 1.00 0.93 H new ATOM 0 HE2 LYS A 602 6.699 11.991 6.446 1.00 1.49 H new ATOM 0 HE3 LYS A 602 5.542 13.302 6.340 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 7.514 13.525 4.873 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.270 14.852 5.904 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.482 13.715 6.254 1.00 1.73 H new ATOM 1662 N LYS A 603 0.957 12.031 8.930 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.424 12.462 8.795 1.00 0.48 C ATOM 1664 C LYS A 603 -1.314 11.586 9.670 1.00 0.54 C ATOM 1665 O LYS A 603 -0.972 10.435 9.943 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.868 12.394 7.327 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.108 13.347 6.415 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.224 14.786 6.892 1.00 0.79 C ATOM 1669 CE LYS A 603 0.555 15.741 6.003 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.042 15.863 4.643 1.00 1.69 N ATOM 0 H LYS A 603 1.132 11.079 8.608 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.512 13.498 9.123 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.737 11.375 6.963 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.933 12.619 7.267 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.942 13.058 6.379 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.495 13.267 5.399 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.274 15.080 6.909 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.144 14.860 7.915 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.589 16.724 6.472 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.585 15.394 5.915 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.343 16.705 4.169 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 0.189 15.016 4.085 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.075 15.953 4.724 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.445 12.133 10.148 1.00 0.67 N ATOM 1685 CA PRO A 604 -3.365 11.417 11.042 1.00 0.81 C ATOM 1686 C PRO A 604 -3.927 10.144 10.419 1.00 0.80 C ATOM 1687 O PRO A 604 -4.184 10.085 9.212 1.00 1.21 O ATOM 1688 CB PRO A 604 -4.490 12.425 11.297 1.00 1.01 C ATOM 1689 CG PRO A 604 -4.380 13.420 10.195 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.920 13.495 9.861 1.00 0.82 C ATOM 0 HA PRO A 604 -2.857 11.086 11.948 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -5.465 11.937 11.291 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -4.378 12.902 12.271 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.965 13.111 9.328 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -4.761 14.393 10.506 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.758 13.768 8.818 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -2.405 14.239 10.469 1.00 0.82 H new ATOM 1698 N GLY A 605 -4.120 9.134 11.251 1.00 0.68 N ATOM 1699 CA GLY A 605 -4.608 7.865 10.773 1.00 0.80 C ATOM 1700 C GLY A 605 -5.960 7.508 11.351 1.00 0.84 C ATOM 1701 O GLY A 605 -6.144 7.491 12.570 1.00 1.23 O ATOM 0 H GLY A 605 -3.945 9.174 12.255 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -4.677 7.893 9.686 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.891 7.085 11.027 1.00 0.80 H new ATOM 1705 N LYS A 606 -6.908 7.252 10.468 1.00 0.92 N ATOM 1706 CA LYS A 606 -8.217 6.746 10.848 1.00 1.10 C ATOM 1707 C LYS A 606 -8.065 5.296 11.294 1.00 0.81 C ATOM 1708 O LYS A 606 -7.152 4.605 10.834 1.00 0.82 O ATOM 1709 CB LYS A 606 -9.170 6.842 9.647 1.00 1.50 C ATOM 1710 CG LYS A 606 -8.826 5.877 8.517 1.00 1.82 C ATOM 1711 CD LYS A 606 -9.418 6.293 7.173 1.00 2.34 C ATOM 1712 CE LYS A 606 -10.943 6.281 7.166 1.00 2.84 C ATOM 1713 NZ LYS A 606 -11.526 7.514 7.757 1.00 3.47 N ATOM 0 H LYS A 606 -6.793 7.389 9.464 1.00 0.92 H new ATOM 0 HA LYS A 606 -8.631 7.335 11.666 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -10.188 6.645 9.984 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -9.153 7.861 9.261 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -7.742 5.808 8.424 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -9.188 4.882 8.774 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -9.067 7.294 6.921 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -9.051 5.622 6.397 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -11.297 6.171 6.141 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -11.299 5.413 7.721 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -12.353 7.809 7.199 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -11.819 7.324 8.737 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -10.815 8.273 7.750 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.916 4.836 12.202 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.845 3.459 12.676 1.00 0.48 C ATOM 1729 C ASN A 607 -8.990 2.477 11.519 1.00 0.43 C ATOM 1730 O ASN A 607 -9.992 2.480 10.800 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.921 3.202 13.729 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.833 1.808 14.312 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.452 0.877 13.811 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -9.051 1.656 15.369 1.00 1.33 N ATOM 0 H ASN A 607 -9.660 5.392 12.623 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.866 3.307 13.131 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.825 3.935 14.530 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.905 3.345 13.282 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -8.946 0.736 15.798 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.553 2.458 15.755 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.980 1.637 11.354 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.920 0.714 10.233 1.00 0.22 C ATOM 1743 C VAL A 608 -8.761 -0.542 10.493 1.00 0.21 C ATOM 1744 O VAL A 608 -9.205 -1.208 9.556 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.452 0.345 9.912 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.369 -0.728 8.838 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.681 1.588 9.477 1.00 0.27 C ATOM 0 H VAL A 608 -7.184 1.576 11.989 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.346 1.215 9.363 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.002 -0.057 10.820 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.323 -0.962 8.638 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.883 -1.626 9.180 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.841 -0.366 7.925 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.649 1.317 9.254 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.146 2.011 8.587 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.697 2.325 10.280 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.006 -0.855 11.759 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.896 -1.963 12.101 1.00 0.33 C ATOM 1759 C ALA A 609 -11.308 -1.684 11.588 1.00 0.32 C ATOM 1760 O ALA A 609 -12.027 -2.593 11.159 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.908 -2.206 13.601 1.00 0.44 C ATOM 0 H ALA A 609 -8.607 -0.365 12.560 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.522 -2.866 11.618 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.578 -3.035 13.830 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.900 -2.449 13.938 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.255 -1.308 14.112 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.688 -0.412 11.607 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.964 0.017 11.055 1.00 0.35 C ATOM 1769 C ALA A 610 -12.986 -0.205 9.545 1.00 0.30 C ATOM 1770 O ALA A 610 -14.043 -0.409 8.947 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.219 1.479 11.383 1.00 0.40 C ATOM 0 H ALA A 610 -11.126 0.343 12.001 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.758 -0.579 11.505 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.177 1.784 10.963 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.238 1.611 12.465 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.424 2.091 10.957 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.806 -0.170 8.940 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.664 -0.426 7.516 1.00 0.23 C ATOM 1779 C ILE A 611 -11.897 -1.912 7.234 1.00 0.22 C ATOM 1780 O ILE A 611 -12.399 -2.285 6.175 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.274 0.013 6.999 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.078 1.509 7.251 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.130 -0.289 5.513 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.718 2.022 6.838 1.00 0.23 C ATOM 0 H ILE A 611 -10.929 0.035 9.419 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.412 0.163 6.985 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.510 -0.547 7.538 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.845 2.063 6.710 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.226 1.712 8.312 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.145 0.028 5.171 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.244 -1.360 5.347 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.898 0.249 4.956 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.653 3.090 7.047 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.945 1.495 7.398 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.573 1.852 5.771 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.541 -2.762 8.199 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.843 -4.191 8.108 1.00 0.24 C ATOM 1798 C ILE A 612 -13.351 -4.393 8.030 1.00 0.27 C ATOM 1799 O ILE A 612 -13.849 -5.169 7.213 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.304 -4.979 9.328 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.804 -4.746 9.513 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.590 -6.466 9.163 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.233 -5.390 10.759 1.00 0.31 C ATOM 0 H ILE A 612 -11.046 -2.488 9.048 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.353 -4.568 7.210 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.816 -4.616 10.219 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.276 -5.132 8.641 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.615 -3.673 9.551 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.206 -7.008 10.027 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.666 -6.623 9.085 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.103 -6.832 8.259 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.165 -5.180 10.820 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.733 -4.986 11.639 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.389 -6.468 10.716 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.079 -3.660 8.866 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.538 -3.730 8.873 1.00 0.35 C ATOM 1817 C GLN A 613 -16.078 -3.218 7.540 1.00 0.34 C ATOM 1818 O GLN A 613 -17.114 -3.668 7.044 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.115 -2.894 10.019 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.558 -3.242 11.393 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.564 -4.731 11.679 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.557 -5.285 12.153 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -14.440 -5.384 11.428 1.00 2.31 N ATOM 0 H GLN A 613 -13.684 -3.011 9.547 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.838 -4.768 9.018 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.921 -1.840 9.818 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.197 -3.021 10.036 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.537 -2.868 11.470 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.144 -2.729 12.156 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -13.639 -4.889 11.035 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -14.375 -6.382 11.628 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.330 -2.289 6.962 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.683 -1.688 5.684 1.00 0.33 C ATOM 1834 C ASP A 614 -15.588 -2.736 4.578 1.00 0.30 C ATOM 1835 O ASP A 614 -16.461 -2.828 3.720 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.751 -0.514 5.379 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.357 0.491 4.421 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -15.767 1.581 4.861 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.439 0.177 3.213 1.00 1.09 O ATOM 0 H ASP A 614 -14.464 -1.931 7.365 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.706 -1.316 5.735 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.494 -0.010 6.311 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.822 -0.896 4.956 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.534 -3.547 4.632 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.323 -4.615 3.658 1.00 0.27 C ATOM 1846 C ILE A 615 -15.417 -5.673 3.764 1.00 0.32 C ATOM 1847 O ILE A 615 -15.881 -6.200 2.755 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.953 -5.294 3.853 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.833 -4.276 3.674 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.777 -6.449 2.875 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.462 -4.837 3.947 1.00 0.18 C ATOM 0 H ILE A 615 -13.808 -3.484 5.346 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.354 -4.154 2.671 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.909 -5.695 4.866 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.863 -3.890 2.655 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.011 -3.431 4.340 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.803 -6.913 3.031 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.561 -7.188 3.039 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.840 -6.074 1.854 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.714 -4.058 3.800 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.414 -5.197 4.975 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.264 -5.663 3.264 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.829 -5.976 4.991 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.911 -6.932 5.218 1.00 0.46 C ATOM 1865 C HIS A 616 -18.220 -6.403 4.643 1.00 0.44 C ATOM 1866 O HIS A 616 -19.101 -7.173 4.264 1.00 0.46 O ATOM 1867 CB HIS A 616 -17.071 -7.241 6.711 1.00 0.59 C ATOM 1868 CG HIS A 616 -16.039 -8.187 7.247 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -16.258 -9.540 7.386 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.779 -7.970 7.684 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -15.178 -10.111 7.885 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -14.263 -9.181 8.074 1.00 0.82 N ATOM 0 H HIS A 616 -15.433 -5.576 5.841 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.653 -7.859 4.706 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -17.022 -6.308 7.273 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -18.061 -7.664 6.881 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.271 -7.018 7.720 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -15.063 -11.163 8.102 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -13.327 -9.336 8.448 1.00 0.82 H new ATOM 1881 N SER A 617 -18.343 -5.082 4.591 1.00 0.45 N ATOM 1882 CA SER A 617 -19.490 -4.444 3.969 1.00 0.51 C ATOM 1883 C SER A 617 -19.380 -4.521 2.444 1.00 0.49 C ATOM 1884 O SER A 617 -20.386 -4.482 1.730 1.00 0.57 O ATOM 1885 CB SER A 617 -19.586 -2.984 4.419 1.00 0.58 C ATOM 1886 OG SER A 617 -19.576 -2.887 5.838 1.00 1.18 O ATOM 0 H SER A 617 -17.657 -4.432 4.975 1.00 0.45 H new ATOM 0 HA SER A 617 -20.394 -4.969 4.279 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.752 -2.417 4.006 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.500 -2.538 4.027 1.00 0.58 H new ATOM 0 HG SER A 617 -18.692 -3.141 6.177 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.147 -4.632 1.960 1.00 0.49 N ATOM 1893 CA GLN A 618 -17.872 -4.697 0.529 1.00 0.58 C ATOM 1894 C GLN A 618 -17.824 -6.143 0.048 1.00 1.36 C ATOM 1895 O GLN A 618 -17.968 -7.083 0.833 1.00 2.14 O ATOM 1896 CB GLN A 618 -16.521 -4.047 0.209 1.00 1.70 C ATOM 1897 CG GLN A 618 -16.409 -2.581 0.585 1.00 2.78 C ATOM 1898 CD GLN A 618 -15.032 -2.024 0.269 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -14.380 -2.457 -0.683 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -14.571 -1.079 1.067 1.00 4.68 N ATOM 0 H GLN A 618 -17.313 -4.679 2.546 1.00 0.49 H new ATOM 0 HA GLN A 618 -18.676 -4.164 0.022 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -15.737 -4.600 0.726 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -16.330 -4.148 -0.859 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.165 -2.009 0.048 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -16.615 -2.461 1.649 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -15.140 -0.746 1.845 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -13.646 -0.682 0.905 1.00 4.68 H new ATOM 1909 N ARG A 619 -17.614 -6.301 -1.251 1.00 2.22 N ATOM 1910 CA ARG A 619 -17.356 -7.601 -1.848 1.00 3.46 C ATOM 1911 C ARG A 619 -16.256 -7.464 -2.892 1.00 4.18 C ATOM 1912 O ARG A 619 -16.528 -7.177 -4.060 1.00 4.57 O ATOM 1913 CB ARG A 619 -18.620 -8.186 -2.487 1.00 4.18 C ATOM 1914 CG ARG A 619 -19.670 -8.636 -1.483 1.00 4.41 C ATOM 1915 CD ARG A 619 -20.803 -9.384 -2.166 1.00 5.33 C ATOM 1916 NE ARG A 619 -21.772 -9.913 -1.207 1.00 6.03 N ATOM 1917 CZ ARG A 619 -22.414 -11.073 -1.360 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -22.180 -11.829 -2.424 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -23.289 -11.476 -0.446 1.00 7.77 N ATOM 0 H ARG A 619 -17.618 -5.531 -1.920 1.00 2.22 H new ATOM 0 HA ARG A 619 -17.038 -8.286 -1.062 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -19.060 -7.439 -3.147 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -18.340 -9.036 -3.110 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -19.208 -9.278 -0.733 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -20.069 -7.768 -0.957 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -21.310 -8.715 -2.861 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -20.392 -10.204 -2.755 1.00 5.33 H new ATOM 0 HE ARG A 619 -21.969 -9.363 -0.371 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -21.508 -11.524 -3.128 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -22.672 -12.715 -2.538 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -23.471 -10.899 0.375 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -23.779 -12.363 -0.565 1.00 7.77 H new ATOM 1933 N GLU A 620 -15.013 -7.647 -2.455 1.00 4.80 N ATOM 1934 CA GLU A 620 -13.851 -7.470 -3.320 1.00 5.84 C ATOM 1935 C GLU A 620 -13.878 -8.439 -4.499 1.00 6.68 C ATOM 1936 O GLU A 620 -14.349 -9.574 -4.383 1.00 7.20 O ATOM 1937 CB GLU A 620 -12.546 -7.637 -2.523 1.00 6.43 C ATOM 1938 CG GLU A 620 -12.285 -9.050 -2.003 1.00 6.93 C ATOM 1939 CD GLU A 620 -13.305 -9.514 -0.981 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -13.671 -8.716 -0.094 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -13.739 -10.680 -1.053 1.00 7.86 O ATOM 0 H GLU A 620 -14.784 -7.920 -1.499 1.00 4.80 H new ATOM 0 HA GLU A 620 -13.891 -6.456 -3.717 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -11.710 -7.339 -3.156 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -12.565 -6.952 -1.676 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -12.283 -9.744 -2.844 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -11.291 -9.087 -1.556 1.00 6.93 H new ATOM 1948 N ARG A 621 -13.380 -7.977 -5.633 1.00 7.11 N ATOM 1949 CA ARG A 621 -13.327 -8.787 -6.835 1.00 8.13 C ATOM 1950 C ARG A 621 -11.952 -8.671 -7.473 1.00 9.01 C ATOM 1951 O ARG A 621 -11.231 -9.686 -7.522 1.00 9.48 O ATOM 1952 CB ARG A 621 -14.406 -8.349 -7.829 1.00 8.49 C ATOM 1953 CG ARG A 621 -14.478 -9.225 -9.067 1.00 8.97 C ATOM 1954 CD ARG A 621 -15.493 -8.698 -10.067 1.00 9.41 C ATOM 1955 NE ARG A 621 -15.104 -7.401 -10.620 1.00 9.86 N ATOM 1956 CZ ARG A 621 -15.942 -6.580 -11.250 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -17.223 -6.905 -11.384 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -15.503 -5.429 -11.746 1.00 11.00 N ATOM 1959 OXT ARG A 621 -11.586 -7.555 -7.898 1.00 9.43 O ATOM 0 H ARG A 621 -13.004 -7.036 -5.745 1.00 7.11 H new ATOM 0 HA ARG A 621 -13.511 -9.827 -6.564 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -15.375 -8.359 -7.330 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -14.214 -7.320 -8.132 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -13.495 -9.274 -9.536 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -14.744 -10.242 -8.779 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -15.608 -9.417 -10.878 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -16.465 -8.607 -9.582 1.00 9.41 H new ATOM 0 HE ARG A 621 -14.133 -7.108 -10.517 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -17.568 -7.786 -11.004 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -17.862 -6.273 -11.867 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -14.521 -5.172 -11.645 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -16.148 -4.802 -12.228 1.00 11.00 H new TER 1973 ARG A 621