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 602 LYS NZ :NH3+ 176:sc= 0.49 (180deg=0) USER MOD Set 1.2: B 4 U O2' : rot 144:sc= 0.537 USER MOD Set 2.1: A 523 HIS : no HD1:sc= -1.01 K(o=0.54,f=-1.9) USER MOD Set 2.2: A 558 GLN : amide:sc= -0.0821 K(o=0.54,f=1.3) USER MOD Set 2.3: B 2 U O2' : rot -40:sc= 1.64 USER MOD Set 3.1: A 531 SER OG : rot 120:sc= -0.238 USER MOD Set 3.2: A 584 ASN : amide:sc= -0.166 K(o=-0.4,f=1) USER MOD Set 4.1: A 575 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 553 MET CE :methyl -133:sc= -1.22 (180deg=-3.18) USER MOD Set 5.2: A 556 THR OG1 : rot -170:sc= -0.0564 USER MOD Set 6.1: A 548 THR OG1 : rot 180:sc= 0.0138 USER MOD Set 6.2: A 549 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.31) USER MOD Set 7.1: A 535 ASN : amide:sc= 0.252 K(o=-3.8,f=-6.4!) USER MOD Set 7.2: A 539 ASN : amide:sc= -4.01 K(o=-3.8,f=-2.4) USER MOD Single : A 512 MET CE :methyl -163:sc= -0.0588 (180deg=-0.406) USER MOD Single : A 514 GLN : amide:sc= -1.92 X(o=-1.9,f=-2!) USER MOD Single : A 516 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.784) USER MOD Single : A 525 CYS SG : rot -16:sc= -0.734! USER MOD Single : A 526 ASN : amide:sc= 0.488 K(o=0.49,f=-2.2) USER MOD Single : A 532 CYS SG : rot 14:sc= -1.17 USER MOD Single : A 533 THR OG1 : rot -140:sc= 0.8 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 110:sc= 1.01 USER MOD Single : A 554 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.28) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1) USER MOD Single : A 563 MET CE :methyl -176:sc= -5.04! (180deg=-5.38!) 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 X(o=0,f=0) USER MOD Single : A 572 MET CE :methyl 156:sc= -4.34 (180deg=-5.71!) USER MOD Single : A 574 GLN : amide:sc= -1.6! C(o=-1.6!,f=-6.4!) USER MOD Single : A 576 TYR OH : rot -145:sc= -0.106 USER MOD Single : A 577 GLN : amide:sc= -0.697 K(o=-0.7,f=-2.5!) USER MOD Single : A 587 LYS NZ :NH3+ -139:sc= -0.133 (180deg=-1.17) USER MOD Single : A 592 MET CE :methyl -156:sc= 0 (180deg=-0.0171) USER MOD Single : A 593 SER OG : rot 82:sc= 1.5 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 596 TYR OH : rot 47:sc= 1.25 USER MOD Single : A 597 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.132) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 167:sc= -0.0614 (180deg=-0.255) USER MOD Single : A 607 ASN : amide:sc= 0.159 K(o=0.16,f=-3.5!) USER MOD Single : A 613 GLN : amide:sc= -0.732 K(o=-0.73,f=0) USER MOD Single : A 616 HIS : no HD1:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD Single : A 618 GLN : amide:sc= -0.0821 K(o=-0.082,f=-0.71) USER MOD Single : B 1 ADN O2' : rot 145:sc= 0.357 USER MOD Single : B 1 ADN O5' : rot -150:sc= 0 USER MOD Single : B 3 C O2' : rot 26:sc= -0.161 USER MOD Single : B 5 U O2' : rot -88:sc= 0.57 USER MOD Single : B 6 A O2' : rot 173:sc= 0 USER MOD Single : B 6 A O3' : rot 128:sc= 0.151 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 8.939 -1.859 -13.071 1.00 3.64 O HETATM 2 C5' ADN B 1 9.819 -0.779 -12.748 1.00 3.04 C HETATM 3 C4' ADN B 1 9.940 0.201 -13.894 1.00 2.61 C HETATM 4 O4' ADN B 1 9.615 -0.487 -15.133 1.00 3.25 O HETATM 5 C3' ADN B 1 8.998 1.400 -13.825 1.00 2.05 C HETATM 6 O3' ADN B 1 9.645 2.588 -14.269 1.00 2.33 O HETATM 7 C2' ADN B 1 7.846 1.014 -14.747 1.00 2.68 C HETATM 8 O2' ADN B 1 7.247 2.142 -15.350 1.00 3.28 O HETATM 9 C1' ADN B 1 8.586 0.205 -15.808 1.00 3.33 C HETATM 10 N9 ADN B 1 7.739 -0.764 -16.503 1.00 4.21 N HETATM 11 C8 ADN B 1 7.652 -2.113 -16.276 1.00 4.58 C HETATM 12 N7 ADN B 1 6.796 -2.727 -17.056 1.00 5.53 N HETATM 13 C5 ADN B 1 6.284 -1.712 -17.851 1.00 5.90 C HETATM 14 C6 ADN B 1 5.331 -1.711 -18.883 1.00 7.05 C HETATM 15 N6 ADN B 1 4.701 -2.808 -19.310 1.00 7.92 N HETATM 16 N1 ADN B 1 5.045 -0.531 -19.474 1.00 7.44 N HETATM 17 C2 ADN B 1 5.681 0.569 -19.047 1.00 6.72 C HETATM 18 N3 ADN B 1 6.596 0.694 -18.087 1.00 5.56 N HETATM 19 C4 ADN B 1 6.857 -0.496 -17.522 1.00 5.16 C HETATM 0 HO5' ADN B 1 8.508 -2.185 -12.254 1.00 3.64 H new HETATM 0 HO2' ADN B 1 6.955 1.912 -16.257 1.00 3.28 H new HETATM 0 HN62 ADN B 1 4.018 -2.743 -20.065 1.00 7.92 H new HETATM 0 HN61 ADN B 1 4.903 -3.711 -18.881 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 9.451 -0.261 -11.863 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 10.804 -1.173 -12.500 1.00 3.04 H new HETATM 0 H8 ADN B 1 8.241 -2.628 -15.517 1.00 4.58 H new HETATM 0 H4' ADN B 1 10.963 0.574 -13.839 1.00 2.61 H new HETATM 0 H3' ADN B 1 8.664 1.616 -12.810 1.00 2.05 H new HETATM 0 H2' ADN B 1 7.036 0.496 -14.233 1.00 2.68 H new HETATM 0 H2 ADN B 1 5.411 1.493 -19.558 1.00 6.72 H new HETATM 0 H1' ADN B 1 8.954 0.888 -16.574 1.00 3.33 H new ATOM 32 P U B 2 10.281 3.601 -13.197 1.00 2.37 P ATOM 33 OP1 U B 2 10.943 4.707 -13.935 1.00 2.99 O ATOM 34 OP2 U B 2 11.065 2.794 -12.229 1.00 2.93 O ATOM 35 O5' U B 2 9.020 4.199 -12.427 1.00 2.04 O ATOM 36 C5' U B 2 9.028 5.545 -11.959 1.00 1.73 C ATOM 37 C4' U B 2 7.931 5.761 -10.945 1.00 1.24 C ATOM 38 O4' U B 2 6.737 5.065 -11.390 1.00 1.07 O ATOM 39 C3' U B 2 8.220 5.241 -9.539 1.00 0.95 C ATOM 40 O3' U B 2 7.778 6.167 -8.553 1.00 0.97 O ATOM 41 C2' U B 2 7.440 3.934 -9.455 1.00 0.83 C ATOM 42 O2' U B 2 6.988 3.679 -8.140 1.00 1.12 O ATOM 43 C1' U B 2 6.242 4.266 -10.341 1.00 0.74 C ATOM 44 N1 U B 2 5.566 3.097 -10.920 1.00 0.76 N ATOM 45 C2 U B 2 4.185 3.118 -10.961 1.00 1.11 C ATOM 46 O2 U B 2 3.523 4.053 -10.537 1.00 1.49 O ATOM 47 N3 U B 2 3.605 2.008 -11.521 1.00 1.23 N ATOM 48 C4 U B 2 4.247 0.904 -12.033 1.00 1.12 C ATOM 49 O4 U B 2 3.581 -0.015 -12.511 1.00 1.35 O ATOM 50 C5 U B 2 5.674 0.957 -11.953 1.00 1.05 C ATOM 51 C6 U B 2 6.274 2.024 -11.414 1.00 0.89 C ATOM 0 H5' U B 2 8.895 6.228 -12.798 1.00 1.73 H new ATOM 0 H5'' U B 2 9.995 5.774 -11.511 1.00 1.73 H new ATOM 0 H4' U B 2 7.826 6.844 -10.881 1.00 1.24 H new ATOM 0 H3' U B 2 9.285 5.100 -9.357 1.00 0.95 H new ATOM 0 H2' U B 2 8.021 3.058 -9.744 1.00 0.83 H new ATOM 0 HO2' U B 2 7.685 3.933 -7.500 1.00 1.12 H new ATOM 0 H1' U B 2 5.493 4.760 -9.722 1.00 0.74 H new ATOM 0 H3 U B 2 2.586 2.000 -11.562 1.00 1.23 H new ATOM 0 H5 U B 2 6.267 0.136 -12.328 1.00 1.05 H new ATOM 0 H6 U B 2 7.353 2.045 -11.364 1.00 0.89 H new ATOM 62 P C B 3 8.590 7.532 -8.311 1.00 1.05 P ATOM 63 OP1 C B 3 7.788 8.632 -8.903 1.00 1.58 O ATOM 64 OP2 C B 3 9.993 7.332 -8.749 1.00 1.17 O ATOM 65 O5' C B 3 8.574 7.700 -6.728 1.00 1.07 O ATOM 66 C5' C B 3 7.487 8.346 -6.071 1.00 0.98 C ATOM 67 C4' C B 3 7.374 7.858 -4.647 1.00 0.86 C ATOM 68 O4' C B 3 7.261 6.409 -4.655 1.00 0.90 O ATOM 69 C3' C B 3 8.573 8.178 -3.760 1.00 0.69 C ATOM 70 O3' C B 3 8.160 8.508 -2.438 1.00 0.87 O ATOM 71 C2' C B 3 9.410 6.904 -3.796 1.00 0.63 C ATOM 72 O2' C B 3 10.114 6.701 -2.588 1.00 0.82 O ATOM 73 C1' C B 3 8.330 5.834 -3.932 1.00 0.75 C ATOM 74 N1 C B 3 8.786 4.630 -4.646 1.00 0.69 N ATOM 75 C2 C B 3 8.833 3.411 -3.962 1.00 0.96 C ATOM 76 O2 C B 3 8.475 3.370 -2.775 1.00 1.32 O ATOM 77 N3 C B 3 9.262 2.305 -4.611 1.00 0.95 N ATOM 78 C4 C B 3 9.637 2.385 -5.891 1.00 0.70 C ATOM 79 N4 C B 3 10.057 1.269 -6.490 1.00 0.76 N ATOM 80 C5 C B 3 9.599 3.614 -6.612 1.00 0.69 C ATOM 81 C6 C B 3 9.172 4.699 -5.955 1.00 0.67 C ATOM 0 H5' C B 3 6.559 8.146 -6.606 1.00 0.98 H new ATOM 0 H5'' C B 3 7.636 9.426 -6.082 1.00 0.98 H new ATOM 0 H4' C B 3 6.504 8.373 -4.239 1.00 0.86 H new ATOM 0 H3' C B 3 9.135 9.046 -4.105 1.00 0.69 H new ATOM 0 H2' C B 3 10.165 6.913 -4.582 1.00 0.63 H new ATOM 0 HO2' C B 3 9.639 7.144 -1.854 1.00 0.82 H new ATOM 0 H1' C B 3 8.042 5.514 -2.931 1.00 0.75 H new ATOM 0 H41 C B 3 10.351 1.294 -7.466 1.00 0.76 H new ATOM 0 H42 C B 3 10.084 0.391 -5.971 1.00 0.76 H new ATOM 0 H5 C B 3 9.903 3.668 -7.647 1.00 0.69 H new ATOM 0 H6 C B 3 9.132 5.648 -6.470 1.00 0.67 H new ATOM 93 P U B 4 8.620 9.907 -1.793 1.00 0.75 P ATOM 94 OP1 U B 4 8.556 10.937 -2.860 1.00 1.02 O ATOM 95 OP2 U B 4 9.898 9.679 -1.072 1.00 1.15 O ATOM 96 O5' U B 4 7.498 10.245 -0.712 1.00 0.71 O ATOM 97 C5' U B 4 6.810 11.495 -0.739 1.00 0.76 C ATOM 98 C4' U B 4 5.657 11.494 0.240 1.00 0.65 C ATOM 99 O4' U B 4 5.756 10.327 1.103 1.00 0.61 O ATOM 100 C3' U B 4 5.598 12.696 1.181 1.00 0.67 C ATOM 101 O3' U B 4 4.249 13.108 1.386 1.00 0.79 O ATOM 102 C2' U B 4 6.214 12.172 2.473 1.00 0.63 C ATOM 103 O2' U B 4 5.700 12.847 3.603 1.00 0.77 O ATOM 104 C1' U B 4 5.698 10.737 2.454 1.00 0.58 C ATOM 105 N1 U B 4 6.479 9.799 3.273 1.00 0.58 N ATOM 106 C2 U B 4 6.300 9.836 4.646 1.00 0.66 C ATOM 107 O2 U B 4 5.550 10.623 5.198 1.00 0.71 O ATOM 108 N3 U B 4 7.031 8.914 5.351 1.00 0.75 N ATOM 109 C4 U B 4 7.904 7.980 4.840 1.00 0.79 C ATOM 110 O4 U B 4 8.479 7.207 5.610 1.00 0.93 O ATOM 111 C5 U B 4 8.037 8.006 3.417 1.00 0.72 C ATOM 112 C6 U B 4 7.341 8.893 2.696 1.00 0.62 C ATOM 0 H5' U B 4 6.439 11.689 -1.745 1.00 0.76 H new ATOM 0 H5'' U B 4 7.501 12.301 -0.493 1.00 0.76 H new ATOM 0 H4' U B 4 4.768 11.510 -0.391 1.00 0.65 H new ATOM 0 H3' U B 4 6.121 13.569 0.791 1.00 0.67 H new ATOM 0 H2' U B 4 7.296 12.289 2.532 1.00 0.63 H new ATOM 0 HO2' U B 4 5.622 12.219 4.351 1.00 0.77 H new ATOM 0 H1' U B 4 4.695 10.723 2.880 1.00 0.58 H new ATOM 0 H3 U B 4 6.915 8.921 6.364 1.00 0.75 H new ATOM 0 H5 U B 4 8.699 7.310 2.924 1.00 0.72 H new ATOM 0 H6 U B 4 7.460 8.899 1.623 1.00 0.62 H new ATOM 123 P U B 5 3.864 14.666 1.478 1.00 0.85 P ATOM 124 OP1 U B 5 4.959 15.447 0.843 1.00 1.03 O ATOM 125 OP2 U B 5 3.465 14.960 2.878 1.00 1.33 O ATOM 126 O5' U B 5 2.572 14.789 0.553 1.00 0.85 O ATOM 127 C5' U B 5 2.224 13.752 -0.361 1.00 0.75 C ATOM 128 C4' U B 5 0.928 13.095 0.055 1.00 0.55 C ATOM 129 O4' U B 5 1.205 12.098 1.077 1.00 0.43 O ATOM 130 C3' U B 5 -0.120 14.028 0.654 1.00 0.55 C ATOM 131 O3' U B 5 -1.416 13.728 0.145 1.00 0.57 O ATOM 132 C2' U B 5 -0.025 13.777 2.157 1.00 0.48 C ATOM 133 O2' U B 5 -1.264 13.956 2.813 1.00 0.53 O ATOM 134 C1' U B 5 0.339 12.298 2.174 1.00 0.37 C ATOM 135 N1 U B 5 1.000 11.853 3.410 1.00 0.37 N ATOM 136 C2 U B 5 0.243 11.137 4.321 1.00 0.37 C ATOM 137 O2 U B 5 -0.923 10.840 4.127 1.00 0.40 O ATOM 138 N3 U B 5 0.906 10.769 5.465 1.00 0.43 N ATOM 139 C4 U B 5 2.220 11.036 5.785 1.00 0.48 C ATOM 140 O4 U B 5 2.673 10.647 6.863 1.00 0.56 O ATOM 141 C5 U B 5 2.933 11.776 4.790 1.00 0.49 C ATOM 142 C6 U B 5 2.319 12.151 3.663 1.00 0.44 C ATOM 0 H5' U B 5 3.020 13.009 -0.398 1.00 0.75 H new ATOM 0 H5'' U B 5 2.125 14.163 -1.366 1.00 0.75 H new ATOM 0 H4' U B 5 0.521 12.688 -0.870 1.00 0.55 H new ATOM 0 H3' U B 5 0.051 15.075 0.405 1.00 0.55 H new ATOM 0 H2' U B 5 0.668 14.450 2.661 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.360 14.894 3.080 1.00 0.53 H new ATOM 0 H1' U B 5 -0.578 11.712 2.116 1.00 0.37 H new ATOM 0 H3 U B 5 0.368 10.241 6.153 1.00 0.43 H new ATOM 0 H5 U B 5 3.970 12.032 4.949 1.00 0.49 H new ATOM 0 H6 U B 5 2.878 12.707 2.925 1.00 0.44 H new ATOM 153 P A B 6 -2.586 14.827 0.225 1.00 0.96 P ATOM 154 OP1 A B 6 -3.148 15.014 -1.137 1.00 1.91 O ATOM 155 OP2 A B 6 -2.052 16.000 0.953 1.00 1.79 O ATOM 156 O5' A B 6 -3.698 14.133 1.131 1.00 1.70 O ATOM 157 C5' A B 6 -4.827 14.865 1.603 1.00 2.27 C ATOM 158 C4' A B 6 -4.632 15.256 3.050 1.00 2.74 C ATOM 159 O4' A B 6 -3.265 15.711 3.236 1.00 2.62 O ATOM 160 C3' A B 6 -5.504 16.411 3.530 1.00 3.36 C ATOM 161 O3' A B 6 -5.814 16.291 4.919 1.00 4.05 O ATOM 162 C2' A B 6 -4.634 17.632 3.249 1.00 3.45 C ATOM 163 O2' A B 6 -4.938 18.710 4.113 1.00 4.23 O ATOM 164 C1' A B 6 -3.251 17.081 3.589 1.00 3.13 C ATOM 165 N9 A B 6 -2.158 17.732 2.863 1.00 3.07 N ATOM 166 C8 A B 6 -2.252 18.698 1.891 1.00 3.68 C ATOM 167 N7 A B 6 -1.097 19.058 1.386 1.00 3.79 N ATOM 168 C5 A B 6 -0.178 18.277 2.073 1.00 3.15 C ATOM 169 C6 A B 6 1.222 18.187 2.001 1.00 3.12 C ATOM 170 N6 A B 6 1.970 18.913 1.167 1.00 3.76 N ATOM 171 N1 A B 6 1.837 17.310 2.823 1.00 2.64 N ATOM 172 C2 A B 6 1.086 16.582 3.657 1.00 2.25 C ATOM 173 N3 A B 6 -0.235 16.577 3.819 1.00 2.28 N ATOM 174 C4 A B 6 -0.817 17.459 2.987 1.00 2.69 C ATOM 0 H5' A B 6 -5.729 14.261 1.501 1.00 2.27 H new ATOM 0 H5'' A B 6 -4.970 15.758 0.994 1.00 2.27 H new ATOM 0 H4' A B 6 -4.896 14.363 3.616 1.00 2.74 H new ATOM 0 H3' A B 6 -6.474 16.454 3.034 1.00 3.36 H new ATOM 0 H2' A B 6 -4.753 18.028 2.240 1.00 3.45 H new ATOM 0 HO2' A B 6 -4.283 19.428 3.984 1.00 4.23 H new ATOM 0 HO3' A B 6 -5.587 17.126 5.378 1.00 4.05 H new ATOM 0 H1' A B 6 -3.066 17.259 4.648 1.00 3.13 H new ATOM 0 H8 A B 6 -3.192 19.123 1.572 1.00 3.68 H new ATOM 0 H61 A B 6 2.984 18.801 1.163 1.00 3.76 H new ATOM 0 H62 A B 6 1.528 19.579 0.534 1.00 3.76 H new ATOM 0 H2 A B 6 1.631 15.899 4.291 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 21.596 -14.440 -0.003 1.00 8.88 N ATOM 189 CA GLY A 510 21.020 -13.277 -0.715 1.00 8.14 C ATOM 190 C GLY A 510 19.943 -12.595 0.096 1.00 7.17 C ATOM 191 O GLY A 510 19.298 -13.225 0.937 1.00 7.17 O ATOM 0 HA2 GLY A 510 21.811 -12.562 -0.941 1.00 8.14 H new ATOM 0 HA3 GLY A 510 20.604 -13.605 -1.668 1.00 8.14 H new ATOM 197 N ALA A 511 19.744 -11.310 -0.150 1.00 6.63 N ATOM 198 CA ALA A 511 18.749 -10.537 0.575 1.00 5.95 C ATOM 199 C ALA A 511 17.450 -10.470 -0.213 1.00 5.06 C ATOM 200 O ALA A 511 17.322 -9.693 -1.159 1.00 5.04 O ATOM 201 CB ALA A 511 19.270 -9.139 0.862 1.00 6.64 C ATOM 0 H ALA A 511 20.261 -10.778 -0.850 1.00 6.63 H new ATOM 0 HA ALA A 511 18.550 -11.033 1.525 1.00 5.95 H new ATOM 0 HB1 ALA A 511 18.513 -8.573 1.405 1.00 6.64 H new ATOM 0 HB2 ALA A 511 20.176 -9.205 1.465 1.00 6.64 H new ATOM 0 HB3 ALA A 511 19.495 -8.635 -0.078 1.00 6.64 H new ATOM 207 N MET A 512 16.497 -11.301 0.172 1.00 4.71 N ATOM 208 CA MET A 512 15.203 -11.337 -0.490 1.00 4.26 C ATOM 209 C MET A 512 14.297 -10.254 0.079 1.00 3.49 C ATOM 210 O MET A 512 14.438 -9.875 1.246 1.00 3.57 O ATOM 211 CB MET A 512 14.542 -12.714 -0.326 1.00 4.93 C ATOM 212 CG MET A 512 14.118 -13.045 1.102 1.00 5.06 C ATOM 213 SD MET A 512 15.507 -13.211 2.246 1.00 5.85 S ATOM 214 CE MET A 512 16.313 -14.676 1.604 1.00 6.33 C ATOM 0 H MET A 512 16.595 -11.962 0.942 1.00 4.71 H new ATOM 0 HA MET A 512 15.357 -11.155 -1.554 1.00 4.26 H new ATOM 0 HB2 MET A 512 13.666 -12.762 -0.972 1.00 4.93 H new ATOM 0 HB3 MET A 512 15.236 -13.480 -0.673 1.00 4.93 H new ATOM 0 HG2 MET A 512 13.450 -12.264 1.465 1.00 5.06 H new ATOM 0 HG3 MET A 512 13.548 -13.974 1.097 1.00 5.06 H new ATOM 0 HE1 MET A 512 16.990 -15.078 2.357 1.00 6.33 H new ATOM 0 HE2 MET A 512 15.561 -15.425 1.355 1.00 6.33 H new ATOM 0 HE3 MET A 512 16.878 -14.417 0.709 1.00 6.33 H new ATOM 224 N ALA A 513 13.385 -9.754 -0.753 1.00 3.37 N ATOM 225 CA ALA A 513 12.431 -8.727 -0.343 1.00 3.26 C ATOM 226 C ALA A 513 13.152 -7.469 0.136 1.00 2.63 C ATOM 227 O ALA A 513 12.669 -6.767 1.025 1.00 3.17 O ATOM 228 CB ALA A 513 11.510 -9.269 0.745 1.00 4.20 C ATOM 0 H ALA A 513 13.287 -10.048 -1.725 1.00 3.37 H new ATOM 0 HA ALA A 513 11.827 -8.455 -1.208 1.00 3.26 H new ATOM 0 HB1 ALA A 513 10.803 -8.494 1.043 1.00 4.20 H new ATOM 0 HB2 ALA A 513 10.964 -10.131 0.363 1.00 4.20 H new ATOM 0 HB3 ALA A 513 12.104 -9.569 1.608 1.00 4.20 H new ATOM 234 N GLN A 514 14.301 -7.185 -0.483 1.00 1.97 N ATOM 235 CA GLN A 514 15.193 -6.104 -0.055 1.00 1.53 C ATOM 236 C GLN A 514 15.767 -6.422 1.325 1.00 1.41 C ATOM 237 O GLN A 514 16.914 -6.843 1.447 1.00 1.94 O ATOM 238 CB GLN A 514 14.468 -4.747 -0.028 1.00 1.48 C ATOM 239 CG GLN A 514 13.880 -4.330 -1.366 1.00 1.76 C ATOM 240 CD GLN A 514 14.927 -4.081 -2.435 1.00 2.06 C ATOM 241 OE1 GLN A 514 14.684 -4.312 -3.617 1.00 2.88 O ATOM 242 NE2 GLN A 514 16.090 -3.591 -2.036 1.00 2.17 N ATOM 0 H GLN A 514 14.640 -7.699 -1.296 1.00 1.97 H new ATOM 0 HA GLN A 514 16.004 -6.030 -0.779 1.00 1.53 H new ATOM 0 HB2 GLN A 514 13.668 -4.790 0.711 1.00 1.48 H new ATOM 0 HB3 GLN A 514 15.168 -3.980 0.304 1.00 1.48 H new ATOM 0 HG2 GLN A 514 13.197 -5.106 -1.711 1.00 1.76 H new ATOM 0 HG3 GLN A 514 13.290 -3.424 -1.228 1.00 1.76 H new ATOM 0 HE21 GLN A 514 16.255 -3.412 -1.046 1.00 2.17 H new ATOM 0 HE22 GLN A 514 16.821 -3.392 -2.719 1.00 2.17 H new ATOM 251 N ARG A 515 14.942 -6.228 2.348 1.00 1.22 N ATOM 252 CA ARG A 515 15.278 -6.561 3.727 1.00 1.19 C ATOM 253 C ARG A 515 13.992 -6.770 4.511 1.00 1.13 C ATOM 254 O ARG A 515 13.666 -7.893 4.903 1.00 1.84 O ATOM 255 CB ARG A 515 16.099 -5.456 4.403 1.00 1.39 C ATOM 256 CG ARG A 515 17.564 -5.422 4.008 1.00 1.59 C ATOM 257 CD ARG A 515 18.353 -4.507 4.927 1.00 1.75 C ATOM 258 NE ARG A 515 18.258 -4.928 6.326 1.00 2.36 N ATOM 259 CZ ARG A 515 18.608 -4.169 7.364 1.00 3.12 C ATOM 260 NH1 ARG A 515 19.104 -2.953 7.164 1.00 3.44 N ATOM 261 NH2 ARG A 515 18.460 -4.627 8.602 1.00 4.00 N ATOM 0 H ARG A 515 14.009 -5.830 2.241 1.00 1.22 H new ATOM 0 HA ARG A 515 15.883 -7.468 3.715 1.00 1.19 H new ATOM 0 HB2 ARG A 515 15.650 -4.492 4.165 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.031 -5.581 5.484 1.00 1.39 H new ATOM 0 HG2 ARG A 515 17.979 -6.429 4.048 1.00 1.59 H new ATOM 0 HG3 ARG A 515 17.659 -5.079 2.978 1.00 1.59 H new ATOM 0 HD2 ARG A 515 19.399 -4.498 4.620 1.00 1.75 H new ATOM 0 HD3 ARG A 515 17.983 -3.486 4.829 1.00 1.75 H new ATOM 0 HE ARG A 515 17.900 -5.864 6.519 1.00 2.36 H new ATOM 0 HH11 ARG A 515 19.218 -2.598 6.214 1.00 3.44 H new ATOM 0 HH12 ARG A 515 19.371 -2.374 7.960 1.00 3.44 H new ATOM 0 HH21 ARG A 515 18.078 -5.560 8.758 1.00 4.00 H new ATOM 0 HH22 ARG A 515 18.728 -4.046 9.396 1.00 4.00 H new ATOM 275 N LYS A 516 13.263 -5.672 4.718 1.00 0.82 N ATOM 276 CA LYS A 516 11.986 -5.686 5.432 1.00 0.79 C ATOM 277 C LYS A 516 12.149 -6.338 6.803 1.00 0.90 C ATOM 278 O LYS A 516 11.373 -7.210 7.199 1.00 1.11 O ATOM 279 CB LYS A 516 10.898 -6.387 4.606 1.00 0.97 C ATOM 280 CG LYS A 516 10.795 -5.877 3.173 1.00 1.06 C ATOM 281 CD LYS A 516 10.694 -4.359 3.101 1.00 1.07 C ATOM 282 CE LYS A 516 10.882 -3.864 1.673 1.00 1.24 C ATOM 283 NZ LYS A 516 10.945 -2.376 1.591 1.00 1.89 N ATOM 0 H LYS A 516 13.543 -4.746 4.394 1.00 0.82 H new ATOM 0 HA LYS A 516 11.666 -4.655 5.583 1.00 0.79 H new ATOM 0 HB2 LYS A 516 11.101 -7.458 4.588 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.936 -6.253 5.100 1.00 0.97 H new ATOM 0 HG2 LYS A 516 11.668 -6.207 2.609 1.00 1.06 H new ATOM 0 HG3 LYS A 516 9.921 -6.319 2.695 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.722 -4.038 3.475 1.00 1.07 H new ATOM 0 HD3 LYS A 516 11.449 -3.910 3.747 1.00 1.07 H new ATOM 0 HE2 LYS A 516 11.799 -4.287 1.262 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.060 -4.225 1.055 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 11.384 -2.096 0.691 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 9.983 -1.984 1.644 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 11.512 -2.008 2.382 1.00 1.89 H new ATOM 297 N GLY A 517 13.190 -5.912 7.497 1.00 0.96 N ATOM 298 CA GLY A 517 13.441 -6.360 8.848 1.00 1.13 C ATOM 299 C GLY A 517 13.722 -5.180 9.743 1.00 1.25 C ATOM 300 O GLY A 517 14.557 -4.340 9.402 1.00 2.04 O ATOM 0 H GLY A 517 13.879 -5.250 7.139 1.00 0.96 H new ATOM 0 HA2 GLY A 517 12.579 -6.912 9.222 1.00 1.13 H new ATOM 0 HA3 GLY A 517 14.289 -7.045 8.860 1.00 1.13 H new ATOM 304 N ALA A 518 13.017 -5.106 10.871 1.00 1.01 N ATOM 305 CA ALA A 518 13.052 -3.925 11.731 1.00 1.14 C ATOM 306 C ALA A 518 12.625 -2.701 10.930 1.00 1.08 C ATOM 307 O ALA A 518 13.140 -1.597 11.115 1.00 1.75 O ATOM 308 CB ALA A 518 14.438 -3.727 12.339 1.00 1.41 C ATOM 0 H ALA A 518 12.412 -5.854 11.211 1.00 1.01 H new ATOM 0 HA ALA A 518 12.355 -4.069 12.557 1.00 1.14 H new ATOM 0 HB1 ALA A 518 14.434 -2.841 12.974 1.00 1.41 H new ATOM 0 HB2 ALA A 518 14.701 -4.600 12.936 1.00 1.41 H new ATOM 0 HB3 ALA A 518 15.170 -3.598 11.542 1.00 1.41 H new ATOM 314 N GLY A 519 11.678 -2.921 10.030 1.00 0.67 N ATOM 315 CA GLY A 519 11.227 -1.879 9.137 1.00 0.60 C ATOM 316 C GLY A 519 10.743 -2.454 7.826 1.00 0.50 C ATOM 317 O GLY A 519 11.530 -3.024 7.067 1.00 0.51 O ATOM 0 H GLY A 519 11.209 -3.818 9.903 1.00 0.67 H new ATOM 0 HA2 GLY A 519 10.422 -1.315 9.609 1.00 0.60 H new ATOM 0 HA3 GLY A 519 12.041 -1.178 8.951 1.00 0.60 H new ATOM 321 N ARG A 520 9.453 -2.329 7.546 1.00 0.46 N ATOM 322 CA ARG A 520 8.927 -2.792 6.275 1.00 0.40 C ATOM 323 C ARG A 520 8.249 -1.653 5.527 1.00 0.34 C ATOM 324 O ARG A 520 7.481 -0.883 6.101 1.00 0.36 O ATOM 325 CB ARG A 520 7.910 -3.910 6.501 1.00 0.44 C ATOM 326 CG ARG A 520 8.428 -5.059 7.344 1.00 0.56 C ATOM 327 CD ARG A 520 7.290 -5.944 7.816 1.00 0.64 C ATOM 328 NE ARG A 520 6.322 -5.191 8.613 1.00 0.93 N ATOM 329 CZ ARG A 520 6.126 -5.374 9.917 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.811 -6.303 10.577 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.248 -4.619 10.562 1.00 2.22 N ATOM 0 H ARG A 520 8.762 -1.917 8.173 1.00 0.46 H new ATOM 0 HA ARG A 520 9.761 -3.166 5.682 1.00 0.40 H new ATOM 0 HB2 ARG A 520 7.026 -3.491 6.982 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.592 -4.298 5.533 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.136 -5.650 6.763 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.970 -4.668 8.205 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.789 -6.385 6.954 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.689 -6.767 8.409 1.00 0.64 H new ATOM 0 HE ARG A 520 5.762 -4.481 8.140 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.492 -6.881 10.084 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.656 -6.438 11.576 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.726 -3.901 10.059 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.095 -4.756 11.561 1.00 2.22 H new ATOM 345 N VAL A 521 8.573 -1.534 4.250 1.00 0.29 N ATOM 346 CA VAL A 521 7.832 -0.667 3.350 1.00 0.24 C ATOM 347 C VAL A 521 7.240 -1.463 2.202 1.00 0.21 C ATOM 348 O VAL A 521 7.969 -2.169 1.494 1.00 0.23 O ATOM 349 CB VAL A 521 8.679 0.486 2.787 1.00 0.26 C ATOM 350 CG1 VAL A 521 7.844 1.344 1.853 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.255 1.323 3.909 1.00 0.32 C ATOM 0 H VAL A 521 9.349 -2.030 3.812 1.00 0.29 H new ATOM 0 HA VAL A 521 7.035 -0.226 3.948 1.00 0.24 H new ATOM 0 HB VAL A 521 9.508 0.062 2.220 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.456 2.157 1.461 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.479 0.734 1.027 1.00 0.27 H new ATOM 0 HG13 VAL A 521 6.997 1.758 2.400 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.851 2.133 3.489 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.443 1.740 4.505 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.886 0.699 4.542 1.00 0.32 H new ATOM 361 N VAL A 522 5.943 -1.341 2.004 1.00 0.20 N ATOM 362 CA VAL A 522 5.293 -1.922 0.845 1.00 0.18 C ATOM 363 C VAL A 522 4.662 -0.782 0.059 1.00 0.18 C ATOM 364 O VAL A 522 3.860 -0.029 0.601 1.00 0.19 O ATOM 365 CB VAL A 522 4.214 -2.945 1.259 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.668 -3.686 0.050 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.766 -3.918 2.287 1.00 0.22 C ATOM 0 H VAL A 522 5.315 -0.842 2.634 1.00 0.20 H new ATOM 0 HA VAL A 522 6.025 -2.457 0.240 1.00 0.18 H new ATOM 0 HB VAL A 522 3.388 -2.398 1.714 1.00 0.20 H new ATOM 0 HG11 VAL A 522 2.910 -4.400 0.373 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.223 -2.973 -0.644 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.479 -4.218 -0.447 1.00 0.21 H new ATOM 0 HG21 VAL A 522 3.990 -4.631 2.566 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.615 -4.453 1.862 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.089 -3.369 3.171 1.00 0.22 H new ATOM 377 N HIS A 523 5.041 -0.617 -1.195 1.00 0.18 N ATOM 378 CA HIS A 523 4.623 0.537 -1.969 1.00 0.18 C ATOM 379 C HIS A 523 3.570 0.148 -2.998 1.00 0.17 C ATOM 380 O HIS A 523 3.748 -0.794 -3.767 1.00 0.18 O ATOM 381 CB HIS A 523 5.856 1.143 -2.655 1.00 0.20 C ATOM 382 CG HIS A 523 5.571 2.246 -3.631 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.541 2.043 -4.992 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.360 3.570 -3.445 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.330 3.192 -5.601 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.217 4.139 -4.688 1.00 0.37 N ATOM 0 H HIS A 523 5.640 -1.270 -1.700 1.00 0.18 H new ATOM 0 HA HIS A 523 4.173 1.276 -1.306 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.528 1.525 -1.886 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.388 0.348 -3.177 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.313 4.084 -2.496 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.261 3.335 -6.669 1.00 0.44 H new ATOM 0 HE2 HIS A 523 5.051 5.128 -4.874 1.00 0.37 H new ATOM 395 N ILE A 524 2.488 0.895 -3.012 1.00 0.16 N ATOM 396 CA ILE A 524 1.406 0.663 -3.944 1.00 0.16 C ATOM 397 C ILE A 524 1.364 1.813 -4.938 1.00 0.17 C ATOM 398 O ILE A 524 1.603 2.959 -4.571 1.00 0.19 O ATOM 399 CB ILE A 524 0.058 0.539 -3.200 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.188 -0.517 -2.096 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.066 0.186 -4.167 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.087 -0.778 -1.328 1.00 0.18 C ATOM 0 H ILE A 524 2.333 1.679 -2.379 1.00 0.16 H new ATOM 0 HA ILE A 524 1.577 -0.274 -4.473 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.193 1.498 -2.748 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.527 -1.452 -2.543 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.961 -0.200 -1.396 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.005 0.104 -3.619 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.154 0.966 -4.923 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.844 -0.765 -4.651 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.905 -1.537 -0.568 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.418 0.143 -0.849 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.859 -1.128 -2.013 1.00 0.18 H new ATOM 414 N CYS A 525 1.108 1.517 -6.194 1.00 0.17 N ATOM 415 CA CYS A 525 1.140 2.545 -7.216 1.00 0.18 C ATOM 416 C CYS A 525 0.019 2.371 -8.228 1.00 0.15 C ATOM 417 O CYS A 525 -0.599 1.305 -8.304 1.00 0.16 O ATOM 418 CB CYS A 525 2.502 2.545 -7.914 1.00 0.29 C ATOM 419 SG CYS A 525 3.110 0.902 -8.363 1.00 1.17 S ATOM 0 H CYS A 525 0.877 0.583 -6.532 1.00 0.17 H new ATOM 0 HA CYS A 525 0.987 3.508 -6.728 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.435 3.153 -8.816 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.232 3.023 -7.261 1.00 0.29 H new ATOM 0 HG CYS A 525 2.435 -0.002 -7.717 1.00 1.17 H new ATOM 425 N ASN A 526 -0.233 3.455 -8.966 1.00 0.15 N ATOM 426 CA ASN A 526 -1.237 3.515 -10.041 1.00 0.16 C ATOM 427 C ASN A 526 -2.594 3.891 -9.484 1.00 0.15 C ATOM 428 O ASN A 526 -3.629 3.546 -10.048 1.00 0.18 O ATOM 429 CB ASN A 526 -1.342 2.218 -10.860 1.00 0.19 C ATOM 430 CG ASN A 526 -0.104 1.936 -11.685 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.610 2.855 -12.088 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.147 0.665 -11.963 1.00 0.26 N ATOM 0 H ASN A 526 0.264 4.336 -8.833 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.894 4.288 -10.728 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.519 1.382 -10.184 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.206 2.282 -11.522 1.00 0.19 H new ATOM 0 HD21 ASN A 526 0.957 0.418 -12.531 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.470 -0.066 -11.609 1.00 0.26 H new ATOM 439 N LEU A 527 -2.578 4.630 -8.389 1.00 0.15 N ATOM 440 CA LEU A 527 -3.803 5.112 -7.786 1.00 0.17 C ATOM 441 C LEU A 527 -4.216 6.393 -8.498 1.00 0.22 C ATOM 442 O LEU A 527 -3.418 7.318 -8.606 1.00 0.25 O ATOM 443 CB LEU A 527 -3.591 5.373 -6.290 1.00 0.15 C ATOM 444 CG LEU A 527 -3.311 4.135 -5.437 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.882 4.539 -4.035 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.544 3.251 -5.373 1.00 0.21 C ATOM 0 H LEU A 527 -1.727 4.909 -7.900 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.589 4.364 -7.887 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.759 6.067 -6.175 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.478 5.870 -5.897 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.499 3.574 -5.900 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.687 3.645 -3.442 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -1.976 5.142 -4.091 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.675 5.120 -3.565 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.331 2.373 -4.763 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.369 3.809 -4.931 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.818 2.935 -6.380 1.00 0.21 H new ATOM 458 N PRO A 528 -5.446 6.468 -9.027 1.00 0.26 N ATOM 459 CA PRO A 528 -5.894 7.655 -9.745 1.00 0.33 C ATOM 460 C PRO A 528 -6.177 8.811 -8.798 1.00 0.34 C ATOM 461 O PRO A 528 -6.836 8.638 -7.770 1.00 0.32 O ATOM 462 CB PRO A 528 -7.190 7.207 -10.437 1.00 0.38 C ATOM 463 CG PRO A 528 -7.309 5.737 -10.194 1.00 0.37 C ATOM 464 CD PRO A 528 -6.476 5.428 -8.984 1.00 0.29 C ATOM 0 HA PRO A 528 -5.137 8.017 -10.441 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.051 7.739 -10.032 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.155 7.423 -11.505 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.349 5.455 -10.029 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.959 5.173 -11.058 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -7.062 5.476 -8.066 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -6.044 4.428 -9.034 1.00 0.29 H new ATOM 472 N GLU A 529 -5.693 9.990 -9.159 1.00 0.41 N ATOM 473 CA GLU A 529 -5.918 11.191 -8.374 1.00 0.46 C ATOM 474 C GLU A 529 -7.402 11.523 -8.365 1.00 0.47 C ATOM 475 O GLU A 529 -8.072 11.406 -9.392 1.00 0.53 O ATOM 476 CB GLU A 529 -5.110 12.347 -8.959 1.00 0.57 C ATOM 477 CG GLU A 529 -5.222 13.641 -8.172 1.00 0.66 C ATOM 478 CD GLU A 529 -4.585 14.808 -8.895 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.295 15.520 -9.637 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.368 15.023 -8.719 1.00 1.41 O ATOM 0 H GLU A 529 -5.136 10.139 -10.000 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.592 11.025 -7.347 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.061 12.054 -9.010 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.441 12.526 -9.982 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.273 13.861 -7.986 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.746 13.515 -7.200 1.00 0.66 H new ATOM 487 N GLY A 530 -7.921 11.920 -7.215 1.00 0.46 N ATOM 488 CA GLY A 530 -9.347 12.124 -7.096 1.00 0.48 C ATOM 489 C GLY A 530 -10.057 10.832 -6.770 1.00 0.43 C ATOM 490 O GLY A 530 -11.285 10.774 -6.725 1.00 0.46 O ATOM 0 H GLY A 530 -7.384 12.104 -6.367 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.548 12.859 -6.317 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.738 12.532 -8.028 1.00 0.48 H new ATOM 494 N SER A 531 -9.277 9.782 -6.555 1.00 0.37 N ATOM 495 CA SER A 531 -9.815 8.456 -6.310 1.00 0.35 C ATOM 496 C SER A 531 -8.864 7.654 -5.426 1.00 0.28 C ATOM 497 O SER A 531 -9.036 6.449 -5.234 1.00 0.30 O ATOM 498 CB SER A 531 -10.039 7.739 -7.639 1.00 0.40 C ATOM 499 OG SER A 531 -10.930 8.475 -8.460 1.00 1.08 O ATOM 0 H SER A 531 -8.258 9.827 -6.546 1.00 0.37 H new ATOM 0 HA SER A 531 -10.769 8.548 -5.792 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.087 7.608 -8.153 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.442 6.743 -7.457 1.00 0.40 H new ATOM 0 HG SER A 531 -10.479 8.719 -9.295 1.00 1.08 H new ATOM 505 N CYS A 532 -7.867 8.336 -4.877 1.00 0.24 N ATOM 506 CA CYS A 532 -6.911 7.702 -3.989 1.00 0.20 C ATOM 507 C CYS A 532 -7.430 7.801 -2.568 1.00 0.18 C ATOM 508 O CYS A 532 -7.143 8.770 -1.862 1.00 0.21 O ATOM 509 CB CYS A 532 -5.541 8.383 -4.075 1.00 0.21 C ATOM 510 SG CYS A 532 -4.802 8.415 -5.718 1.00 0.25 S ATOM 0 H CYS A 532 -7.702 9.330 -5.034 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.793 6.660 -4.285 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.640 9.408 -3.718 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.857 7.874 -3.396 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.702 8.111 -6.605 1.00 0.25 H new ATOM 516 N THR A 533 -8.210 6.823 -2.150 1.00 0.17 N ATOM 517 CA THR A 533 -8.778 6.863 -0.824 1.00 0.18 C ATOM 518 C THR A 533 -7.992 5.940 0.076 1.00 0.17 C ATOM 519 O THR A 533 -7.441 4.939 -0.383 1.00 0.18 O ATOM 520 CB THR A 533 -10.252 6.415 -0.838 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.333 5.046 -1.252 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.079 7.282 -1.776 1.00 0.28 C ATOM 0 H THR A 533 -8.460 6.003 -2.703 1.00 0.17 H new ATOM 0 HA THR A 533 -8.731 7.889 -0.458 1.00 0.18 H new ATOM 0 HB THR A 533 -10.653 6.522 0.170 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.108 4.927 -1.839 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.115 6.943 -1.766 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.033 8.320 -1.447 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.682 7.205 -2.788 1.00 0.28 H new ATOM 530 N GLU A 534 -7.954 6.261 1.355 1.00 0.19 N ATOM 531 CA GLU A 534 -7.270 5.427 2.324 1.00 0.20 C ATOM 532 C GLU A 534 -7.983 4.099 2.431 1.00 0.19 C ATOM 533 O GLU A 534 -7.367 3.054 2.633 1.00 0.20 O ATOM 534 CB GLU A 534 -7.168 6.117 3.685 1.00 0.23 C ATOM 535 CG GLU A 534 -6.423 7.457 3.649 1.00 0.27 C ATOM 536 CD GLU A 534 -7.251 8.574 3.041 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.394 8.793 3.494 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.755 9.254 2.115 1.00 1.64 O ATOM 0 H GLU A 534 -8.390 7.095 1.748 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.249 5.255 1.983 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.173 6.282 4.074 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.662 5.450 4.382 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.135 7.735 4.663 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -5.503 7.341 3.077 1.00 0.27 H new ATOM 545 N ASN A 535 -9.295 4.164 2.273 1.00 0.20 N ATOM 546 CA ASN A 535 -10.140 2.999 2.421 1.00 0.22 C ATOM 547 C ASN A 535 -9.790 1.937 1.383 1.00 0.21 C ATOM 548 O ASN A 535 -9.518 0.807 1.748 1.00 0.21 O ATOM 549 CB ASN A 535 -11.610 3.399 2.282 1.00 0.27 C ATOM 550 CG ASN A 535 -12.564 2.275 2.635 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.284 1.451 3.506 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.698 2.232 1.956 1.00 1.38 N ATOM 0 H ASN A 535 -9.798 5.021 2.040 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.973 2.578 3.413 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.811 4.255 2.926 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.798 3.720 1.258 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.379 1.497 2.146 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.892 2.934 1.242 1.00 1.38 H new ATOM 559 N ASP A 536 -9.691 2.320 0.106 1.00 0.21 N ATOM 560 CA ASP A 536 -9.503 1.337 -0.973 1.00 0.22 C ATOM 561 C ASP A 536 -8.114 0.714 -0.935 1.00 0.17 C ATOM 562 O ASP A 536 -7.953 -0.495 -1.115 1.00 0.16 O ATOM 563 CB ASP A 536 -9.740 1.969 -2.350 1.00 0.27 C ATOM 564 CG ASP A 536 -11.210 2.109 -2.690 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.857 1.082 -2.983 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.725 3.249 -2.687 1.00 0.61 O ATOM 0 H ASP A 536 -9.737 3.290 -0.206 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.241 0.551 -0.809 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.271 2.952 -2.378 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.252 1.361 -3.112 1.00 0.27 H new ATOM 571 N VAL A 537 -7.122 1.560 -0.710 1.00 0.15 N ATOM 572 CA VAL A 537 -5.729 1.124 -0.655 1.00 0.13 C ATOM 573 C VAL A 537 -5.555 0.092 0.463 1.00 0.12 C ATOM 574 O VAL A 537 -4.986 -0.997 0.275 1.00 0.13 O ATOM 575 CB VAL A 537 -4.784 2.334 -0.437 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.321 1.926 -0.517 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.078 3.412 -1.463 1.00 0.13 C ATOM 0 H VAL A 537 -7.253 2.560 -0.561 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.466 0.662 -1.606 1.00 0.13 H new ATOM 0 HB VAL A 537 -4.967 2.723 0.565 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.690 2.801 -0.359 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.108 1.182 0.251 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.115 1.502 -1.500 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.410 4.258 -1.303 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.924 3.012 -2.465 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.112 3.741 -1.359 1.00 0.13 H new ATOM 587 N ILE A 538 -6.094 0.425 1.619 1.00 0.12 N ATOM 588 CA ILE A 538 -6.093 -0.480 2.749 1.00 0.12 C ATOM 589 C ILE A 538 -7.002 -1.689 2.496 1.00 0.12 C ATOM 590 O ILE A 538 -6.723 -2.788 2.975 1.00 0.12 O ATOM 591 CB ILE A 538 -6.485 0.233 4.051 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.444 1.288 4.413 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.619 -0.772 5.175 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.784 2.040 5.676 1.00 0.23 C ATOM 0 H ILE A 538 -6.542 1.324 1.800 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.072 -0.842 2.866 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.445 0.727 3.902 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.473 0.807 4.533 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.350 1.996 3.589 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.897 -0.256 6.094 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.388 -1.501 4.921 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.668 -1.284 5.321 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.007 2.776 5.882 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.741 2.547 5.551 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.851 1.340 6.509 1.00 0.23 H new ATOM 606 N ASN A 539 -8.096 -1.486 1.755 1.00 0.12 N ATOM 607 CA ASN A 539 -8.997 -2.588 1.407 1.00 0.14 C ATOM 608 C ASN A 539 -8.241 -3.675 0.674 1.00 0.15 C ATOM 609 O ASN A 539 -8.637 -4.835 0.704 1.00 0.17 O ATOM 610 CB ASN A 539 -10.166 -2.154 0.504 1.00 0.17 C ATOM 611 CG ASN A 539 -11.220 -1.293 1.180 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.907 -0.518 0.518 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.357 -1.408 2.489 1.00 0.21 N ATOM 0 H ASN A 539 -8.377 -0.577 1.388 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.400 -2.947 2.354 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.763 -1.605 -0.347 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.649 -3.047 0.107 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.050 -0.843 2.981 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.770 -2.061 3.008 1.00 0.21 H new ATOM 620 N LEU A 540 -7.183 -3.296 -0.024 1.00 0.15 N ATOM 621 CA LEU A 540 -6.327 -4.277 -0.660 1.00 0.17 C ATOM 622 C LEU A 540 -5.428 -4.945 0.374 1.00 0.16 C ATOM 623 O LEU A 540 -5.217 -6.157 0.331 1.00 0.19 O ATOM 624 CB LEU A 540 -5.461 -3.610 -1.722 1.00 0.19 C ATOM 625 CG LEU A 540 -6.221 -2.950 -2.868 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.245 -2.403 -3.893 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.188 -3.932 -3.514 1.00 0.24 C ATOM 0 H LEU A 540 -6.900 -2.326 -0.162 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.959 -5.031 -1.129 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.840 -2.856 -1.239 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.787 -4.358 -2.139 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.805 -2.122 -2.466 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.797 -1.934 -4.707 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.597 -1.664 -3.421 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.638 -3.218 -4.288 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.718 -3.438 -4.328 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.633 -4.784 -3.906 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.906 -4.278 -2.771 1.00 0.24 H new ATOM 639 N GLY A 541 -4.901 -4.141 1.296 1.00 0.14 N ATOM 640 CA GLY A 541 -4.010 -4.664 2.325 1.00 0.16 C ATOM 641 C GLY A 541 -4.649 -5.625 3.321 1.00 0.15 C ATOM 642 O GLY A 541 -4.174 -6.743 3.503 1.00 0.19 O ATOM 0 H GLY A 541 -5.074 -3.137 1.350 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.179 -5.174 1.837 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.588 -3.824 2.877 1.00 0.16 H new ATOM 646 N LEU A 542 -5.745 -5.214 3.932 1.00 0.13 N ATOM 647 CA LEU A 542 -6.307 -5.939 5.077 1.00 0.14 C ATOM 648 C LEU A 542 -6.612 -7.423 4.820 1.00 0.16 C ATOM 649 O LEU A 542 -6.262 -8.261 5.651 1.00 0.20 O ATOM 650 CB LEU A 542 -7.552 -5.230 5.591 1.00 0.13 C ATOM 651 CG LEU A 542 -7.275 -3.976 6.414 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.558 -3.209 6.653 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.626 -4.350 7.737 1.00 0.16 C ATOM 0 H LEU A 542 -6.270 -4.383 3.661 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.522 -5.932 5.833 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.177 -4.959 4.740 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.127 -5.928 6.199 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.589 -3.337 5.858 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.344 -2.317 7.242 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.991 -2.917 5.696 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.264 -3.840 7.194 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.433 -3.447 8.316 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.294 -5.004 8.298 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.685 -4.867 7.547 1.00 0.16 H new ATOM 665 N PRO A 543 -7.272 -7.789 3.703 1.00 0.17 N ATOM 666 CA PRO A 543 -7.666 -9.183 3.445 1.00 0.19 C ATOM 667 C PRO A 543 -6.498 -10.176 3.428 1.00 0.20 C ATOM 668 O PRO A 543 -6.701 -11.371 3.658 1.00 0.23 O ATOM 669 CB PRO A 543 -8.343 -9.109 2.073 1.00 0.22 C ATOM 670 CG PRO A 543 -8.821 -7.705 1.988 1.00 0.21 C ATOM 671 CD PRO A 543 -7.723 -6.904 2.617 1.00 0.17 C ATOM 0 HA PRO A 543 -8.306 -9.562 4.242 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.645 -9.343 1.269 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.168 -9.818 1.995 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.991 -7.404 0.954 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.764 -7.573 2.518 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.922 -6.687 1.910 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.083 -5.947 2.995 1.00 0.17 H new ATOM 679 N PHE A 544 -5.281 -9.708 3.157 1.00 0.20 N ATOM 680 CA PHE A 544 -4.120 -10.595 3.174 1.00 0.22 C ATOM 681 C PHE A 544 -3.320 -10.429 4.462 1.00 0.22 C ATOM 682 O PHE A 544 -2.508 -11.287 4.815 1.00 0.28 O ATOM 683 CB PHE A 544 -3.210 -10.326 1.976 1.00 0.23 C ATOM 684 CG PHE A 544 -3.848 -10.584 0.646 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.907 -11.867 0.136 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.391 -9.544 -0.093 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.493 -12.113 -1.088 1.00 0.33 C ATOM 688 CE2 PHE A 544 -4.980 -9.785 -1.319 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.034 -11.049 -1.819 1.00 0.33 C ATOM 0 H PHE A 544 -5.075 -8.736 2.927 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.493 -11.618 3.118 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.879 -9.288 2.012 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.319 -10.947 2.065 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.489 -12.686 0.702 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.353 -8.536 0.294 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.534 -13.119 -1.479 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.400 -8.966 -1.884 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.494 -11.231 -2.779 1.00 0.33 H new ATOM 699 N GLY A 545 -3.561 -9.338 5.170 1.00 0.19 N ATOM 700 CA GLY A 545 -2.841 -9.080 6.400 1.00 0.21 C ATOM 701 C GLY A 545 -3.279 -7.791 7.052 1.00 0.21 C ATOM 702 O GLY A 545 -3.735 -6.874 6.375 1.00 0.44 O ATOM 0 H GLY A 545 -4.244 -8.624 4.915 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.997 -9.908 7.092 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.772 -9.036 6.192 1.00 0.21 H new ATOM 706 N LYS A 546 -3.146 -7.715 8.366 1.00 0.27 N ATOM 707 CA LYS A 546 -3.566 -6.534 9.100 1.00 0.25 C ATOM 708 C LYS A 546 -2.703 -5.332 8.731 1.00 0.20 C ATOM 709 O LYS A 546 -1.475 -5.406 8.744 1.00 0.24 O ATOM 710 CB LYS A 546 -3.504 -6.785 10.607 1.00 0.35 C ATOM 711 CG LYS A 546 -3.996 -5.612 11.441 1.00 0.41 C ATOM 712 CD LYS A 546 -3.952 -5.924 12.928 1.00 0.92 C ATOM 713 CE LYS A 546 -4.484 -4.766 13.755 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.488 -5.075 15.209 1.00 2.07 N ATOM 0 H LYS A 546 -2.751 -8.456 8.945 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.598 -6.316 8.825 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -4.101 -7.665 10.845 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.475 -7.013 10.887 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.382 -4.735 11.234 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -5.017 -5.362 11.151 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.541 -6.818 13.131 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -2.926 -6.144 13.225 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -3.874 -3.881 13.574 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -5.497 -4.526 13.433 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.858 -4.259 15.736 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -5.091 -5.904 15.386 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -3.518 -5.279 15.523 1.00 2.07 H new ATOM 728 N VAL A 547 -3.362 -4.236 8.397 1.00 0.16 N ATOM 729 CA VAL A 547 -2.686 -2.996 8.067 1.00 0.15 C ATOM 730 C VAL A 547 -2.402 -2.202 9.333 1.00 0.18 C ATOM 731 O VAL A 547 -3.324 -1.766 10.028 1.00 0.20 O ATOM 732 CB VAL A 547 -3.546 -2.163 7.092 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.956 -0.783 6.849 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.700 -2.908 5.777 1.00 0.14 C ATOM 0 H VAL A 547 -4.379 -4.182 8.347 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.738 -3.230 7.582 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.525 -2.021 7.549 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.593 -0.232 6.157 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.893 -0.243 7.794 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.958 -0.884 6.421 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.308 -2.316 5.092 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.717 -3.076 5.337 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.186 -3.867 5.957 1.00 0.14 H new ATOM 744 N THR A 548 -1.127 -2.036 9.643 1.00 0.20 N ATOM 745 CA THR A 548 -0.734 -1.307 10.833 1.00 0.23 C ATOM 746 C THR A 548 -0.510 0.168 10.531 1.00 0.23 C ATOM 747 O THR A 548 -0.850 1.039 11.334 1.00 0.27 O ATOM 748 CB THR A 548 0.551 -1.912 11.423 1.00 0.27 C ATOM 749 OG1 THR A 548 1.539 -2.040 10.391 1.00 0.26 O ATOM 750 CG2 THR A 548 0.275 -3.275 12.040 1.00 0.31 C ATOM 0 H THR A 548 -0.350 -2.395 9.088 1.00 0.20 H new ATOM 0 HA THR A 548 -1.545 -1.390 11.557 1.00 0.23 H new ATOM 0 HB THR A 548 0.919 -1.248 12.205 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.358 -2.424 10.768 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.199 -3.682 12.450 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.461 -3.171 12.837 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.111 -3.949 11.275 1.00 0.31 H new ATOM 758 N ASN A 549 0.029 0.443 9.354 1.00 0.20 N ATOM 759 CA ASN A 549 0.269 1.814 8.929 1.00 0.21 C ATOM 760 C ASN A 549 0.065 1.946 7.431 1.00 0.18 C ATOM 761 O ASN A 549 0.147 0.966 6.697 1.00 0.20 O ATOM 762 CB ASN A 549 1.686 2.282 9.304 1.00 0.26 C ATOM 763 CG ASN A 549 1.973 2.188 10.794 1.00 0.40 C ATOM 764 OD1 ASN A 549 2.545 1.205 11.270 1.00 1.26 O ATOM 765 ND2 ASN A 549 1.569 3.199 11.547 1.00 0.81 N ATOM 0 H ASN A 549 0.309 -0.265 8.675 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.448 2.449 9.449 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.416 1.681 8.761 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.819 3.314 8.979 1.00 0.26 H new ATOM 0 HD21 ASN A 549 1.728 3.180 12.554 1.00 0.81 H new ATOM 0 HD22 ASN A 549 1.099 3.997 11.120 1.00 0.81 H new ATOM 772 N TYR A 550 -0.218 3.156 6.988 1.00 0.17 N ATOM 773 CA TYR A 550 -0.458 3.423 5.581 1.00 0.17 C ATOM 774 C TYR A 550 -0.202 4.893 5.287 1.00 0.17 C ATOM 775 O TYR A 550 -0.367 5.740 6.163 1.00 0.17 O ATOM 776 CB TYR A 550 -1.902 3.051 5.226 1.00 0.17 C ATOM 777 CG TYR A 550 -2.937 3.800 6.039 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.786 4.712 5.438 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.057 3.602 7.413 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.725 5.405 6.177 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.994 4.291 8.156 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.827 5.191 7.532 1.00 0.25 C ATOM 783 OH TYR A 550 -5.768 5.880 8.263 1.00 0.31 O ATOM 0 H TYR A 550 -0.288 3.978 7.588 1.00 0.17 H new ATOM 0 HA TYR A 550 0.220 2.822 4.975 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.070 3.250 4.167 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.040 1.980 5.375 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.714 4.885 4.374 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.405 2.896 7.906 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.379 6.114 5.691 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.073 4.125 9.220 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.471 5.263 8.555 1.00 0.31 H new ATOM 793 N ILE A 551 0.203 5.192 4.063 1.00 0.18 N ATOM 794 CA ILE A 551 0.488 6.558 3.645 1.00 0.16 C ATOM 795 C ILE A 551 0.054 6.707 2.205 1.00 0.17 C ATOM 796 O ILE A 551 0.504 5.947 1.355 1.00 0.20 O ATOM 797 CB ILE A 551 1.997 6.873 3.701 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.587 6.527 5.070 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.245 8.339 3.371 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.090 6.683 5.145 1.00 0.20 C ATOM 0 H ILE A 551 0.344 4.496 3.331 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.040 7.235 4.316 1.00 0.16 H new ATOM 0 HB ILE A 551 2.497 6.254 2.955 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.127 7.164 5.825 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.325 5.499 5.319 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.314 8.546 3.415 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.874 8.554 2.369 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.724 8.968 4.093 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.434 6.420 6.145 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.561 6.025 4.415 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.360 7.717 4.929 1.00 0.20 H new ATOM 812 N LEU A 552 -0.806 7.651 1.900 1.00 0.16 N ATOM 813 CA LEU A 552 -1.227 7.801 0.523 1.00 0.19 C ATOM 814 C LEU A 552 -0.621 9.047 -0.078 1.00 0.19 C ATOM 815 O LEU A 552 -0.737 10.119 0.496 1.00 0.26 O ATOM 816 CB LEU A 552 -2.738 7.855 0.388 1.00 0.27 C ATOM 817 CG LEU A 552 -3.501 6.648 0.908 1.00 0.30 C ATOM 818 CD1 LEU A 552 -4.921 6.721 0.412 1.00 0.43 C ATOM 819 CD2 LEU A 552 -2.850 5.345 0.493 1.00 0.42 C ATOM 0 H LEU A 552 -1.218 8.309 2.562 1.00 0.16 H new ATOM 0 HA LEU A 552 -0.875 6.922 -0.016 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.098 8.740 0.913 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -2.983 7.988 -0.666 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.488 6.668 1.998 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.479 5.860 0.779 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.387 7.637 0.776 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -4.926 6.719 -0.678 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.428 4.508 0.886 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -2.818 5.285 -0.595 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -1.835 5.303 0.889 1.00 0.42 H new ATOM 831 N MET A 553 -0.019 8.933 -1.245 1.00 0.18 N ATOM 832 CA MET A 553 0.562 10.104 -1.870 1.00 0.26 C ATOM 833 C MET A 553 -0.276 10.478 -3.072 1.00 0.26 C ATOM 834 O MET A 553 0.024 10.108 -4.209 1.00 0.25 O ATOM 835 CB MET A 553 2.005 9.837 -2.301 1.00 0.35 C ATOM 836 CG MET A 553 2.931 9.453 -1.161 1.00 0.56 C ATOM 837 SD MET A 553 4.600 9.076 -1.728 1.00 1.03 S ATOM 838 CE MET A 553 4.296 7.633 -2.740 1.00 0.80 C ATOM 0 H MET A 553 0.080 8.064 -1.769 1.00 0.18 H new ATOM 0 HA MET A 553 0.575 10.923 -1.151 1.00 0.26 H new ATOM 0 HB2 MET A 553 2.009 9.039 -3.043 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.398 10.729 -2.790 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.971 10.268 -0.439 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.523 8.587 -0.641 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.021 6.857 -2.495 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.289 7.261 -2.550 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.392 7.900 -3.792 1.00 0.80 H new ATOM 848 N LYS A 554 -1.343 11.210 -2.796 1.00 0.32 N ATOM 849 CA LYS A 554 -2.220 11.737 -3.832 1.00 0.37 C ATOM 850 C LYS A 554 -1.452 12.524 -4.892 1.00 0.38 C ATOM 851 O LYS A 554 -1.869 12.586 -6.046 1.00 0.40 O ATOM 852 CB LYS A 554 -3.308 12.621 -3.203 1.00 0.47 C ATOM 853 CG LYS A 554 -3.785 12.153 -1.824 1.00 0.43 C ATOM 854 CD LYS A 554 -4.303 10.723 -1.836 1.00 0.37 C ATOM 855 CE LYS A 554 -4.768 10.278 -0.454 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.076 10.867 -0.067 1.00 1.03 N ATOM 0 H LYS A 554 -1.627 11.456 -1.848 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.684 10.886 -4.331 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.927 13.639 -3.116 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.164 12.658 -3.877 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.962 12.231 -1.114 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.574 12.818 -1.472 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.130 10.642 -2.541 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.517 10.055 -2.188 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -4.845 9.191 -0.435 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.016 10.558 0.284 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.374 10.478 0.850 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.983 11.900 0.009 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.788 10.636 -0.789 1.00 1.03 H new ATOM 870 N SER A 555 -0.327 13.112 -4.510 1.00 0.40 N ATOM 871 CA SER A 555 0.432 13.956 -5.414 1.00 0.44 C ATOM 872 C SER A 555 1.078 13.137 -6.539 1.00 0.38 C ATOM 873 O SER A 555 1.027 13.524 -7.709 1.00 0.38 O ATOM 874 CB SER A 555 1.496 14.710 -4.615 1.00 0.51 C ATOM 875 OG SER A 555 2.337 13.809 -3.913 1.00 0.50 O ATOM 0 H SER A 555 0.078 13.018 -3.579 1.00 0.40 H new ATOM 0 HA SER A 555 -0.246 14.667 -5.885 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.095 15.323 -5.288 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.014 15.388 -3.910 1.00 0.51 H new ATOM 0 HG SER A 555 3.010 14.314 -3.411 1.00 0.50 H new ATOM 881 N THR A 556 1.665 11.999 -6.187 1.00 0.34 N ATOM 882 CA THR A 556 2.406 11.192 -7.149 1.00 0.32 C ATOM 883 C THR A 556 1.579 10.029 -7.691 1.00 0.27 C ATOM 884 O THR A 556 2.081 9.220 -8.475 1.00 0.28 O ATOM 885 CB THR A 556 3.691 10.628 -6.514 1.00 0.36 C ATOM 886 OG1 THR A 556 3.368 9.912 -5.314 1.00 0.34 O ATOM 887 CG2 THR A 556 4.679 11.736 -6.192 1.00 0.45 C ATOM 0 H THR A 556 1.642 11.614 -5.243 1.00 0.34 H new ATOM 0 HA THR A 556 2.655 11.856 -7.977 1.00 0.32 H new ATOM 0 HB THR A 556 4.154 9.953 -7.234 1.00 0.36 H new ATOM 0 HG1 THR A 556 4.193 9.692 -4.832 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.575 11.306 -5.745 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.947 12.262 -7.108 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.225 12.436 -5.491 1.00 0.45 H new ATOM 895 N ASN A 557 0.307 9.968 -7.288 1.00 0.26 N ATOM 896 CA ASN A 557 -0.588 8.869 -7.668 1.00 0.26 C ATOM 897 C ASN A 557 -0.017 7.530 -7.200 1.00 0.21 C ATOM 898 O ASN A 557 -0.137 6.503 -7.877 1.00 0.25 O ATOM 899 CB ASN A 557 -0.800 8.843 -9.190 1.00 0.31 C ATOM 900 CG ASN A 557 -1.548 10.057 -9.710 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.774 10.053 -9.801 1.00 1.09 O ATOM 902 ND2 ASN A 557 -0.818 11.102 -10.073 1.00 1.28 N ATOM 0 H ASN A 557 -0.130 10.673 -6.694 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.551 9.033 -7.184 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.170 8.782 -9.684 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.352 7.942 -9.458 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.272 11.938 -10.442 1.00 1.28 H new ATOM 0 HD22 ASN A 557 0.198 11.070 -9.984 1.00 1.28 H new ATOM 909 N GLN A 558 0.584 7.554 -6.018 1.00 0.17 N ATOM 910 CA GLN A 558 1.249 6.386 -5.450 1.00 0.17 C ATOM 911 C GLN A 558 1.034 6.371 -3.946 1.00 0.16 C ATOM 912 O GLN A 558 0.568 7.355 -3.386 1.00 0.20 O ATOM 913 CB GLN A 558 2.745 6.411 -5.785 1.00 0.22 C ATOM 914 CG GLN A 558 3.024 6.388 -7.278 1.00 0.29 C ATOM 915 CD GLN A 558 4.499 6.455 -7.611 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.341 5.974 -6.853 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.817 7.052 -8.747 1.00 0.84 N ATOM 0 H GLN A 558 0.625 8.383 -5.425 1.00 0.17 H new ATOM 0 HA GLN A 558 0.824 5.479 -5.880 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.193 7.305 -5.352 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.230 5.554 -5.318 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.603 5.478 -7.706 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.513 7.228 -7.749 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.084 7.436 -9.344 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.795 7.128 -9.027 1.00 0.84 H new ATOM 926 N ALA A 559 1.336 5.263 -3.285 1.00 0.15 N ATOM 927 CA ALA A 559 1.063 5.149 -1.863 1.00 0.14 C ATOM 928 C ALA A 559 1.930 4.089 -1.181 1.00 0.14 C ATOM 929 O ALA A 559 2.597 3.290 -1.837 1.00 0.16 O ATOM 930 CB ALA A 559 -0.404 4.854 -1.651 1.00 0.15 C ATOM 0 H ALA A 559 1.765 4.439 -3.706 1.00 0.15 H new ATOM 0 HA ALA A 559 1.317 6.103 -1.400 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.607 4.769 -0.584 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.002 5.663 -2.071 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.662 3.917 -2.145 1.00 0.15 H new ATOM 936 N PHE A 560 1.933 4.127 0.142 1.00 0.14 N ATOM 937 CA PHE A 560 2.662 3.162 0.957 1.00 0.15 C ATOM 938 C PHE A 560 1.706 2.411 1.875 1.00 0.14 C ATOM 939 O PHE A 560 0.744 2.986 2.390 1.00 0.16 O ATOM 940 CB PHE A 560 3.732 3.851 1.811 1.00 0.16 C ATOM 941 CG PHE A 560 4.830 4.515 1.032 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.832 3.762 0.443 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.871 5.895 0.902 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.855 4.371 -0.260 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.890 6.508 0.199 1.00 0.35 C ATOM 946 CZ PHE A 560 6.883 5.745 -0.383 1.00 0.30 C ATOM 0 H PHE A 560 1.429 4.829 0.684 1.00 0.14 H new ATOM 0 HA PHE A 560 3.148 2.462 0.277 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.249 4.599 2.440 1.00 0.16 H new ATOM 0 HB3 PHE A 560 4.175 3.112 2.478 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.814 2.686 0.534 1.00 0.26 H new ATOM 0 HD2 PHE A 560 4.098 6.497 1.355 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.631 3.772 -0.712 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.910 7.584 0.105 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.680 6.223 -0.933 1.00 0.30 H new ATOM 956 N LEU A 561 1.980 1.134 2.077 1.00 0.14 N ATOM 957 CA LEU A 561 1.145 0.280 2.905 1.00 0.14 C ATOM 958 C LEU A 561 2.012 -0.582 3.823 1.00 0.16 C ATOM 959 O LEU A 561 2.848 -1.350 3.357 1.00 0.18 O ATOM 960 CB LEU A 561 0.278 -0.603 1.998 1.00 0.15 C ATOM 961 CG LEU A 561 -0.678 -1.562 2.704 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.713 -0.789 3.505 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.355 -2.475 1.686 1.00 0.20 C ATOM 0 H LEU A 561 2.787 0.660 1.672 1.00 0.14 H new ATOM 0 HA LEU A 561 0.501 0.897 3.531 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.307 0.046 1.346 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.938 -1.187 1.357 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.106 -2.180 3.396 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.386 -1.488 4.001 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.210 -0.176 4.253 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.286 -0.147 2.836 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.034 -3.154 2.201 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.917 -1.872 0.973 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.598 -3.052 1.155 1.00 0.20 H new ATOM 975 N GLU A 562 1.826 -0.425 5.126 1.00 0.17 N ATOM 976 CA GLU A 562 2.550 -1.230 6.104 1.00 0.20 C ATOM 977 C GLU A 562 1.648 -2.324 6.655 1.00 0.18 C ATOM 978 O GLU A 562 0.482 -2.086 6.981 1.00 0.18 O ATOM 979 CB GLU A 562 3.085 -0.360 7.240 1.00 0.27 C ATOM 980 CG GLU A 562 4.536 -0.651 7.603 1.00 0.57 C ATOM 981 CD GLU A 562 4.758 -2.063 8.115 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.894 -2.983 7.281 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.787 -2.263 9.347 1.00 1.21 O ATOM 0 H GLU A 562 1.180 0.252 5.532 1.00 0.17 H new ATOM 0 HA GLU A 562 3.400 -1.693 5.603 1.00 0.20 H new ATOM 0 HB2 GLU A 562 2.994 0.689 6.957 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.462 -0.507 8.123 1.00 0.27 H new ATOM 0 HG2 GLU A 562 5.162 -0.488 6.726 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.862 0.059 8.363 1.00 0.57 H new ATOM 990 N MET A 563 2.202 -3.517 6.763 1.00 0.25 N ATOM 991 CA MET A 563 1.433 -4.695 7.117 1.00 0.23 C ATOM 992 C MET A 563 1.980 -5.301 8.402 1.00 0.27 C ATOM 993 O MET A 563 3.089 -4.966 8.804 1.00 0.39 O ATOM 994 CB MET A 563 1.489 -5.690 5.955 1.00 0.25 C ATOM 995 CG MET A 563 1.085 -5.050 4.633 1.00 0.25 C ATOM 996 SD MET A 563 1.584 -6.005 3.191 1.00 0.31 S ATOM 997 CE MET A 563 1.033 -4.930 1.861 1.00 0.25 C ATOM 0 H MET A 563 3.194 -3.696 6.608 1.00 0.25 H new ATOM 0 HA MET A 563 0.391 -4.429 7.296 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.499 -6.091 5.870 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.829 -6.531 6.167 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.003 -4.921 4.617 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.526 -4.055 4.570 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.208 -5.418 0.902 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.032 -4.726 1.975 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.588 -3.992 1.897 1.00 0.25 H new ATOM 1007 N ALA A 564 1.221 -6.167 9.059 1.00 0.28 N ATOM 1008 CA ALA A 564 1.615 -6.661 10.374 1.00 0.33 C ATOM 1009 C ALA A 564 2.921 -7.448 10.313 1.00 0.27 C ATOM 1010 O ALA A 564 3.799 -7.279 11.164 1.00 0.40 O ATOM 1011 CB ALA A 564 0.506 -7.504 10.984 1.00 0.50 C ATOM 0 H ALA A 564 0.338 -6.540 8.709 1.00 0.28 H new ATOM 0 HA ALA A 564 1.785 -5.795 11.014 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.819 -7.863 11.964 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.395 -6.899 11.090 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.297 -8.355 10.336 1.00 0.50 H new ATOM 1017 N TYR A 565 3.051 -8.298 9.307 1.00 0.27 N ATOM 1018 CA TYR A 565 4.246 -9.115 9.151 1.00 0.37 C ATOM 1019 C TYR A 565 4.723 -9.121 7.703 1.00 0.33 C ATOM 1020 O TYR A 565 3.967 -8.799 6.785 1.00 0.29 O ATOM 1021 CB TYR A 565 3.982 -10.549 9.616 1.00 0.55 C ATOM 1022 CG TYR A 565 3.762 -10.685 11.107 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.482 -10.798 11.633 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.837 -10.704 11.986 1.00 0.86 C ATOM 1025 CE1 TYR A 565 2.280 -10.929 12.993 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.642 -10.833 13.349 1.00 1.00 C ATOM 1027 CZ TYR A 565 3.362 -10.944 13.846 1.00 0.98 C ATOM 1028 OH TYR A 565 3.163 -11.079 15.200 1.00 1.15 O ATOM 0 H TYR A 565 2.344 -8.441 8.586 1.00 0.27 H new ATOM 0 HA TYR A 565 5.029 -8.678 9.771 1.00 0.37 H new ATOM 0 HB2 TYR A 565 3.106 -10.933 9.094 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.826 -11.175 9.326 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.631 -10.783 10.968 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.841 -10.617 11.599 1.00 0.86 H new ATOM 0 HE1 TYR A 565 1.278 -11.019 13.386 1.00 0.90 H new ATOM 0 HE2 TYR A 565 5.488 -10.847 14.020 1.00 1.00 H new ATOM 0 HH TYR A 565 4.028 -11.072 15.660 1.00 1.15 H new ATOM 1038 N THR A 566 5.980 -9.511 7.513 1.00 0.39 N ATOM 1039 CA THR A 566 6.591 -9.539 6.187 1.00 0.40 C ATOM 1040 C THR A 566 5.895 -10.563 5.290 1.00 0.36 C ATOM 1041 O THR A 566 5.866 -10.411 4.065 1.00 0.35 O ATOM 1042 CB THR A 566 8.108 -9.848 6.256 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.716 -9.642 4.972 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.365 -11.278 6.707 1.00 0.57 C ATOM 0 H THR A 566 6.599 -9.814 8.265 1.00 0.39 H new ATOM 0 HA THR A 566 6.468 -8.544 5.759 1.00 0.40 H new ATOM 0 HB THR A 566 8.547 -9.169 6.987 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.674 -9.839 5.028 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.439 -11.460 6.744 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.937 -11.430 7.698 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.904 -11.970 6.003 1.00 0.57 H new ATOM 1052 N GLU A 567 5.331 -11.597 5.911 1.00 0.38 N ATOM 1053 CA GLU A 567 4.605 -12.641 5.197 1.00 0.40 C ATOM 1054 C GLU A 567 3.436 -12.057 4.411 1.00 0.31 C ATOM 1055 O GLU A 567 3.090 -12.550 3.336 1.00 0.32 O ATOM 1056 CB GLU A 567 4.103 -13.697 6.181 1.00 0.49 C ATOM 1057 CG GLU A 567 3.186 -13.138 7.256 1.00 0.55 C ATOM 1058 CD GLU A 567 2.906 -14.140 8.352 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.804 -14.380 9.187 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.785 -14.688 8.388 1.00 0.84 O ATOM 0 H GLU A 567 5.365 -11.733 6.921 1.00 0.38 H new ATOM 0 HA GLU A 567 5.289 -13.108 4.489 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.572 -14.473 5.629 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.959 -14.174 6.657 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.640 -12.247 7.689 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.245 -12.828 6.802 1.00 0.55 H new ATOM 1067 N ALA A 568 2.844 -10.997 4.946 1.00 0.26 N ATOM 1068 CA ALA A 568 1.701 -10.367 4.315 1.00 0.24 C ATOM 1069 C ALA A 568 2.147 -9.584 3.092 1.00 0.21 C ATOM 1070 O ALA A 568 1.514 -9.644 2.041 1.00 0.22 O ATOM 1071 CB ALA A 568 0.978 -9.463 5.299 1.00 0.25 C ATOM 0 H ALA A 568 3.140 -10.558 5.818 1.00 0.26 H new ATOM 0 HA ALA A 568 1.005 -11.143 3.996 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.123 -8.999 4.807 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.632 -10.052 6.148 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.659 -8.688 5.649 1.00 0.25 H new ATOM 1077 N ALA A 569 3.271 -8.887 3.228 1.00 0.19 N ATOM 1078 CA ALA A 569 3.776 -8.029 2.168 1.00 0.21 C ATOM 1079 C ALA A 569 4.131 -8.833 0.930 1.00 0.22 C ATOM 1080 O ALA A 569 3.742 -8.482 -0.181 1.00 0.24 O ATOM 1081 CB ALA A 569 4.995 -7.268 2.663 1.00 0.23 C ATOM 0 H ALA A 569 3.850 -8.902 4.068 1.00 0.19 H new ATOM 0 HA ALA A 569 2.991 -7.324 1.895 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.371 -6.626 1.867 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.718 -6.657 3.522 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.771 -7.975 2.956 1.00 0.23 H new ATOM 1087 N GLN A 570 4.832 -9.938 1.132 1.00 0.24 N ATOM 1088 CA GLN A 570 5.264 -10.772 0.021 1.00 0.28 C ATOM 1089 C GLN A 570 4.068 -11.445 -0.643 1.00 0.27 C ATOM 1090 O GLN A 570 4.028 -11.589 -1.862 1.00 0.29 O ATOM 1091 CB GLN A 570 6.290 -11.810 0.488 1.00 0.34 C ATOM 1092 CG GLN A 570 5.826 -12.654 1.661 1.00 0.38 C ATOM 1093 CD GLN A 570 6.900 -13.600 2.157 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.693 -13.255 3.032 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.932 -14.799 1.603 1.00 1.04 N ATOM 0 H GLN A 570 5.113 -10.277 2.052 1.00 0.24 H new ATOM 0 HA GLN A 570 5.746 -10.134 -0.720 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.531 -12.468 -0.347 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.211 -11.296 0.765 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.519 -11.999 2.476 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.948 -13.229 1.366 1.00 0.38 H new ATOM 0 HE21 GLN A 570 6.256 -15.045 0.880 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.633 -15.479 1.898 1.00 1.04 H new ATOM 1104 N ALA A 571 3.086 -11.826 0.168 1.00 0.26 N ATOM 1105 CA ALA A 571 1.886 -12.478 -0.335 1.00 0.27 C ATOM 1106 C ALA A 571 1.090 -11.543 -1.238 1.00 0.25 C ATOM 1107 O ALA A 571 0.637 -11.940 -2.312 1.00 0.27 O ATOM 1108 CB ALA A 571 1.025 -12.957 0.824 1.00 0.31 C ATOM 0 H ALA A 571 3.100 -11.693 1.179 1.00 0.26 H new ATOM 0 HA ALA A 571 2.190 -13.340 -0.929 1.00 0.27 H new ATOM 0 HB1 ALA A 571 0.130 -13.443 0.436 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.590 -13.667 1.428 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.737 -12.105 1.440 1.00 0.31 H new ATOM 1114 N MET A 572 0.927 -10.296 -0.806 1.00 0.25 N ATOM 1115 CA MET A 572 0.164 -9.325 -1.578 1.00 0.28 C ATOM 1116 C MET A 572 0.901 -8.950 -2.853 1.00 0.24 C ATOM 1117 O MET A 572 0.294 -8.863 -3.918 1.00 0.24 O ATOM 1118 CB MET A 572 -0.128 -8.069 -0.758 1.00 0.37 C ATOM 1119 CG MET A 572 -0.746 -8.367 0.593 1.00 0.47 C ATOM 1120 SD MET A 572 -1.454 -6.914 1.379 1.00 0.36 S ATOM 1121 CE MET A 572 -1.368 -7.407 3.098 1.00 0.33 C ATOM 0 H MET A 572 1.311 -9.937 0.068 1.00 0.25 H new ATOM 0 HA MET A 572 -0.785 -9.791 -1.842 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.799 -7.515 -0.612 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.800 -7.423 -1.323 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.523 -9.122 0.472 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.014 -8.793 1.248 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.354 -6.520 3.731 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.238 -8.015 3.346 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.460 -7.987 3.265 1.00 0.33 H new ATOM 1131 N VAL A 573 2.210 -8.744 -2.752 1.00 0.24 N ATOM 1132 CA VAL A 573 3.012 -8.397 -3.918 1.00 0.27 C ATOM 1133 C VAL A 573 2.912 -9.493 -4.975 1.00 0.25 C ATOM 1134 O VAL A 573 2.664 -9.213 -6.144 1.00 0.28 O ATOM 1135 CB VAL A 573 4.492 -8.151 -3.543 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.341 -7.934 -4.785 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.614 -6.954 -2.613 1.00 0.32 C ATOM 0 H VAL A 573 2.735 -8.811 -1.880 1.00 0.24 H new ATOM 0 HA VAL A 573 2.614 -7.468 -4.326 1.00 0.27 H new ATOM 0 HB VAL A 573 4.858 -9.039 -3.027 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.377 -7.763 -4.492 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.285 -8.816 -5.423 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.971 -7.067 -5.332 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.662 -6.796 -2.359 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.223 -6.066 -3.110 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.045 -7.141 -1.702 1.00 0.32 H new ATOM 1147 N GLN A 574 3.054 -10.743 -4.547 1.00 0.23 N ATOM 1148 CA GLN A 574 2.936 -11.878 -5.458 1.00 0.25 C ATOM 1149 C GLN A 574 1.549 -11.925 -6.083 1.00 0.23 C ATOM 1150 O GLN A 574 1.396 -12.246 -7.263 1.00 0.26 O ATOM 1151 CB GLN A 574 3.207 -13.192 -4.720 1.00 0.28 C ATOM 1152 CG GLN A 574 4.658 -13.389 -4.307 1.00 0.33 C ATOM 1153 CD GLN A 574 5.598 -13.551 -5.489 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.374 -13.007 -6.567 1.00 2.04 O ATOM 1155 NE2 GLN A 574 6.664 -14.302 -5.291 1.00 2.09 N ATOM 0 H GLN A 574 3.250 -10.996 -3.579 1.00 0.23 H new ATOM 0 HA GLN A 574 3.677 -11.751 -6.247 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.579 -13.232 -3.830 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.907 -14.023 -5.359 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.979 -12.535 -3.710 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.731 -14.270 -3.669 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.819 -14.739 -4.382 1.00 2.09 H new ATOM 0 HE22 GLN A 574 7.334 -14.446 -6.047 1.00 2.09 H new ATOM 1164 N TYR A 575 0.545 -11.594 -5.283 1.00 0.20 N ATOM 1165 CA TYR A 575 -0.834 -11.636 -5.737 1.00 0.20 C ATOM 1166 C TYR A 575 -1.115 -10.542 -6.764 1.00 0.20 C ATOM 1167 O TYR A 575 -1.600 -10.822 -7.850 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.797 -11.501 -4.554 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.254 -11.529 -4.959 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -3.982 -10.353 -5.098 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -3.898 -12.732 -5.210 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.310 -10.376 -5.476 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.225 -12.762 -5.587 1.00 0.40 C ATOM 1174 CZ TYR A 575 -5.927 -11.585 -5.719 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.249 -11.615 -6.101 1.00 0.48 O ATOM 0 H TYR A 575 0.662 -11.293 -4.315 1.00 0.20 H new ATOM 0 HA TYR A 575 -0.992 -12.603 -6.215 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.608 -12.309 -3.848 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.591 -10.567 -4.032 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.501 -9.405 -4.907 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.353 -13.659 -5.109 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -5.862 -9.453 -5.581 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -5.712 -13.707 -5.778 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.530 -12.544 -6.233 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.799 -9.299 -6.415 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.130 -8.152 -7.261 1.00 0.25 C ATOM 1187 C TYR A 576 -0.193 -8.004 -8.460 1.00 0.30 C ATOM 1188 O TYR A 576 -0.484 -7.248 -9.389 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.171 -6.869 -6.429 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.312 -6.857 -5.430 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.601 -6.521 -5.823 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.104 -7.202 -4.101 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.648 -6.529 -4.919 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.144 -7.209 -3.191 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.414 -6.873 -3.604 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.457 -6.891 -2.706 1.00 0.35 O ATOM 0 H TYR A 576 -0.313 -9.058 -5.551 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.122 -8.337 -7.674 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.226 -6.755 -5.897 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.267 -6.012 -7.095 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.789 -6.249 -6.851 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.111 -7.470 -3.772 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.645 -6.267 -5.242 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.962 -7.477 -2.161 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.138 -6.593 -1.828 1.00 0.35 H new ATOM 1206 N GLN A 577 0.930 -8.709 -8.449 1.00 0.31 N ATOM 1207 CA GLN A 577 1.777 -8.752 -9.635 1.00 0.38 C ATOM 1208 C GLN A 577 1.138 -9.659 -10.682 1.00 0.37 C ATOM 1209 O GLN A 577 1.278 -9.436 -11.885 1.00 0.42 O ATOM 1210 CB GLN A 577 3.204 -9.214 -9.322 1.00 0.45 C ATOM 1211 CG GLN A 577 4.030 -8.177 -8.572 1.00 0.52 C ATOM 1212 CD GLN A 577 5.500 -8.545 -8.487 1.00 1.04 C ATOM 1213 OE1 GLN A 577 5.928 -9.250 -7.576 1.00 1.89 O ATOM 1214 NE2 GLN A 577 6.290 -8.055 -9.428 1.00 1.57 N ATOM 0 H GLN A 577 1.271 -9.248 -7.653 1.00 0.31 H new ATOM 0 HA GLN A 577 1.857 -7.737 -10.023 1.00 0.38 H new ATOM 0 HB2 GLN A 577 3.159 -10.128 -8.730 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.709 -9.463 -10.255 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.930 -7.212 -9.068 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.631 -8.061 -7.565 1.00 0.52 H new ATOM 0 HE21 GLN A 577 5.900 -7.473 -10.169 1.00 1.57 H new ATOM 0 HE22 GLN A 577 7.289 -8.259 -9.412 1.00 1.57 H new ATOM 1223 N GLU A 578 0.435 -10.684 -10.212 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.294 -11.578 -11.104 1.00 0.38 C ATOM 1225 C GLU A 578 -1.723 -11.086 -11.347 1.00 0.33 C ATOM 1226 O GLU A 578 -2.234 -11.171 -12.466 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.331 -12.991 -10.518 1.00 0.42 C ATOM 1228 CG GLU A 578 1.044 -13.562 -10.215 1.00 0.52 C ATOM 1229 CD GLU A 578 1.933 -13.625 -11.437 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.761 -12.713 -11.622 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.801 -14.582 -12.229 1.00 1.31 O ATOM 0 H GLU A 578 0.355 -10.916 -9.222 1.00 0.35 H new ATOM 0 HA GLU A 578 0.230 -11.591 -12.060 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -0.920 -12.979 -9.601 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -0.843 -13.652 -11.217 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.526 -12.952 -9.451 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.933 -14.564 -9.799 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.360 -10.563 -10.305 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.727 -10.065 -10.400 1.00 0.28 C ATOM 1240 C LYS A 579 -3.859 -8.704 -9.718 1.00 0.25 C ATOM 1241 O LYS A 579 -4.230 -8.624 -8.543 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.701 -11.050 -9.746 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.811 -12.386 -10.461 1.00 0.42 C ATOM 1244 CD LYS A 579 -5.748 -13.336 -9.728 1.00 0.69 C ATOM 1245 CE LYS A 579 -7.139 -12.742 -9.560 1.00 1.69 C ATOM 1246 NZ LYS A 579 -8.084 -13.705 -8.938 1.00 2.46 N ATOM 0 H LYS A 579 -1.947 -10.473 -9.377 1.00 0.29 H new ATOM 0 HA LYS A 579 -3.970 -9.959 -11.457 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.386 -11.226 -8.718 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.689 -10.592 -9.703 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.174 -12.227 -11.477 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -3.823 -12.839 -10.542 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.818 -14.274 -10.279 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -5.333 -13.572 -8.748 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -7.078 -11.845 -8.944 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -7.522 -12.435 -10.533 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.019 -13.261 -8.842 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -8.163 -14.551 -9.538 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -7.732 -13.979 -7.998 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.556 -7.618 -10.442 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.668 -6.253 -9.914 1.00 0.25 C ATOM 1262 C PRO A 580 -5.115 -5.862 -9.613 1.00 0.22 C ATOM 1263 O PRO A 580 -6.055 -6.465 -10.136 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.105 -5.384 -11.044 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.247 -6.210 -12.273 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.074 -7.634 -11.834 1.00 0.32 C ATOM 0 HA PRO A 580 -3.139 -6.140 -8.968 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.655 -4.447 -11.133 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.062 -5.125 -10.861 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.223 -6.059 -12.734 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.498 -5.937 -13.016 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.653 -8.319 -12.453 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.033 -7.951 -11.896 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.289 -4.847 -8.776 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.621 -4.381 -8.411 1.00 0.22 C ATOM 1276 C ALA A 581 -7.053 -3.252 -9.333 1.00 0.20 C ATOM 1277 O ALA A 581 -6.230 -2.456 -9.765 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.635 -3.909 -6.970 1.00 0.27 C ATOM 0 H ALA A 581 -4.526 -4.331 -8.338 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.321 -5.210 -8.516 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.636 -3.564 -6.710 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -6.354 -4.733 -6.314 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.926 -3.090 -6.848 1.00 0.27 H new ATOM 1284 N ILE A 582 -8.336 -3.197 -9.648 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.844 -2.196 -10.576 1.00 0.26 C ATOM 1286 C ILE A 582 -9.520 -1.039 -9.849 1.00 0.28 C ATOM 1287 O ILE A 582 -10.469 -1.243 -9.093 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.856 -2.814 -11.563 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -9.235 -4.010 -12.285 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -10.328 -1.771 -12.567 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -10.192 -4.720 -13.214 1.00 0.51 C ATOM 0 H ILE A 582 -9.044 -3.831 -9.277 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.980 -1.817 -11.122 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.720 -3.162 -10.998 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -8.372 -3.670 -12.857 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.867 -4.720 -11.544 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -11.041 -2.225 -13.255 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.808 -0.948 -12.038 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -9.473 -1.393 -13.128 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.682 -5.557 -13.691 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -11.044 -5.091 -12.644 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.541 -4.025 -13.978 1.00 0.51 H new ATOM 1303 N ILE A 583 -9.020 0.167 -10.077 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.693 1.376 -9.620 1.00 0.33 C ATOM 1305 C ILE A 583 -9.875 2.322 -10.799 1.00 0.36 C ATOM 1306 O ILE A 583 -8.896 2.851 -11.326 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.902 2.111 -8.512 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.824 1.272 -7.232 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.540 3.462 -8.220 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.155 1.079 -6.533 1.00 0.51 C ATOM 0 H ILE A 583 -8.147 0.335 -10.578 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.654 1.076 -9.202 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.885 2.267 -8.872 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.410 0.294 -7.477 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.129 1.748 -6.541 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.975 3.970 -7.439 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.535 4.070 -9.125 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.567 3.315 -7.887 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -10.011 0.475 -5.637 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.564 2.050 -6.254 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.849 0.573 -7.205 1.00 0.51 H new ATOM 1322 N ASN A 584 -11.123 2.510 -11.220 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.450 3.381 -12.351 1.00 0.47 C ATOM 1324 C ASN A 584 -10.688 2.949 -13.594 1.00 0.45 C ATOM 1325 O ASN A 584 -10.252 3.771 -14.400 1.00 0.50 O ATOM 1326 CB ASN A 584 -11.158 4.852 -12.038 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.997 5.384 -10.896 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -13.079 4.869 -10.603 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.517 6.433 -10.258 1.00 0.91 N ATOM 0 H ASN A 584 -11.935 2.066 -10.790 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.520 3.286 -12.537 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -10.102 4.964 -11.791 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.342 5.452 -12.929 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.045 6.849 -9.491 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.618 6.829 -10.532 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.518 1.644 -13.728 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.863 1.095 -14.891 1.00 0.44 C ATOM 1338 C GLY A 585 -8.349 1.096 -14.791 1.00 0.39 C ATOM 1339 O GLY A 585 -7.666 0.776 -15.765 1.00 0.42 O ATOM 0 H GLY A 585 -10.825 0.952 -13.045 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.208 0.072 -15.044 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.161 1.667 -15.770 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.815 1.453 -13.631 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.373 1.427 -13.430 1.00 0.32 C ATOM 1345 C GLU A 586 -5.962 0.181 -12.649 1.00 0.24 C ATOM 1346 O GLU A 586 -6.494 -0.093 -11.571 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.914 2.680 -12.679 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.197 3.984 -13.410 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.391 4.134 -14.684 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.215 4.550 -14.601 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.930 3.855 -15.774 1.00 1.79 O ATOM 0 H GLU A 586 -8.353 1.761 -12.821 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.895 1.404 -14.409 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.406 2.708 -11.707 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.843 2.606 -12.493 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.259 4.037 -13.650 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.978 4.821 -12.747 1.00 0.57 H new ATOM 1358 N LYS A 587 -5.041 -0.582 -13.226 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.457 -1.740 -12.560 1.00 0.19 C ATOM 1360 C LYS A 587 -3.466 -1.296 -11.485 1.00 0.17 C ATOM 1361 O LYS A 587 -2.396 -0.770 -11.799 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.732 -2.629 -13.576 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.579 -3.057 -14.768 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.725 -3.969 -14.365 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.423 -4.550 -15.587 1.00 1.10 C ATOM 1366 NZ LYS A 587 -7.580 -5.405 -15.213 1.00 1.67 N ATOM 0 H LYS A 587 -4.679 -0.416 -14.165 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.264 -2.305 -12.094 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.855 -2.096 -13.944 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.371 -3.522 -13.065 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.979 -2.172 -15.263 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.948 -3.570 -15.494 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.347 -4.778 -13.740 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.443 -3.411 -13.764 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.765 -3.738 -16.230 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.711 -5.137 -16.167 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.597 -6.251 -15.818 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -7.491 -5.693 -14.218 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -8.463 -4.870 -15.341 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.814 -1.519 -10.227 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.968 -1.123 -9.112 1.00 0.15 C ATOM 1382 C LEU A 588 -1.826 -2.112 -8.923 1.00 0.17 C ATOM 1383 O LEU A 588 -2.036 -3.325 -8.925 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.790 -1.039 -7.823 1.00 0.16 C ATOM 1385 CG LEU A 588 -5.038 -0.160 -7.896 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.733 -0.110 -6.550 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.684 1.239 -8.361 1.00 0.16 C ATOM 0 H LEU A 588 -4.683 -1.976 -9.952 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.551 -0.142 -9.338 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -4.093 -2.047 -7.539 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -3.148 -0.663 -7.027 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.721 -0.600 -8.623 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.619 0.520 -6.621 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -6.027 -1.117 -6.255 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -5.053 0.303 -5.805 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.587 1.847 -8.406 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.979 1.687 -7.661 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.231 1.190 -9.351 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.627 -1.586 -8.737 1.00 0.17 N ATOM 1400 CA LEU A 589 0.552 -2.423 -8.583 1.00 0.19 C ATOM 1401 C LEU A 589 1.116 -2.312 -7.171 1.00 0.18 C ATOM 1402 O LEU A 589 1.575 -1.241 -6.761 1.00 0.18 O ATOM 1403 CB LEU A 589 1.622 -2.045 -9.612 1.00 0.23 C ATOM 1404 CG LEU A 589 2.896 -2.890 -9.558 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.591 -4.337 -9.904 1.00 0.37 C ATOM 1406 CD2 LEU A 589 3.950 -2.332 -10.498 1.00 0.38 C ATOM 0 H LEU A 589 -0.444 -0.584 -8.689 1.00 0.17 H new ATOM 0 HA LEU A 589 0.254 -3.457 -8.755 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.191 -2.128 -10.610 1.00 0.23 H new ATOM 0 HB3 LEU A 589 1.891 -0.999 -9.467 1.00 0.23 H new ATOM 0 HG LEU A 589 3.287 -2.852 -8.541 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.509 -4.923 -9.860 1.00 0.37 H new ATOM 0 HD12 LEU A 589 1.871 -4.738 -9.191 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.174 -4.391 -10.910 1.00 0.37 H new ATOM 0 HD21 LEU A 589 4.848 -2.948 -10.444 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.567 -2.337 -11.518 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.193 -1.310 -10.207 1.00 0.38 H new ATOM 1418 N ILE A 590 1.063 -3.407 -6.424 1.00 0.18 N ATOM 1419 CA ILE A 590 1.649 -3.455 -5.090 1.00 0.18 C ATOM 1420 C ILE A 590 3.004 -4.153 -5.142 1.00 0.20 C ATOM 1421 O ILE A 590 3.096 -5.311 -5.550 1.00 0.26 O ATOM 1422 CB ILE A 590 0.729 -4.182 -4.078 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.639 -3.489 -4.012 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.379 -4.232 -2.699 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.546 -4.002 -2.908 1.00 0.21 C ATOM 0 H ILE A 590 0.619 -4.276 -6.720 1.00 0.18 H new ATOM 0 HA ILE A 590 1.773 -2.427 -4.750 1.00 0.18 H new ATOM 0 HB ILE A 590 0.580 -5.207 -4.417 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.485 -2.419 -3.872 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -1.144 -3.616 -4.970 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.717 -4.747 -2.003 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.326 -4.768 -2.762 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.560 -3.217 -2.345 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.491 -3.459 -2.932 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.734 -5.065 -3.056 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.065 -3.850 -1.942 1.00 0.21 H new ATOM 1437 N ARG A 591 4.048 -3.444 -4.728 1.00 0.18 N ATOM 1438 CA ARG A 591 5.414 -3.960 -4.765 1.00 0.22 C ATOM 1439 C ARG A 591 6.205 -3.398 -3.592 1.00 0.18 C ATOM 1440 O ARG A 591 5.778 -2.449 -2.948 1.00 0.19 O ATOM 1441 CB ARG A 591 6.109 -3.597 -6.081 1.00 0.33 C ATOM 1442 CG ARG A 591 5.642 -4.420 -7.272 1.00 0.45 C ATOM 1443 CD ARG A 591 6.480 -4.142 -8.510 1.00 0.65 C ATOM 1444 NE ARG A 591 7.879 -4.526 -8.326 1.00 1.33 N ATOM 1445 CZ ARG A 591 8.802 -4.465 -9.288 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.475 -4.048 -10.507 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.050 -4.831 -9.032 1.00 2.62 N ATOM 0 H ARG A 591 3.973 -2.497 -4.358 1.00 0.18 H new ATOM 0 HA ARG A 591 5.371 -5.047 -4.693 1.00 0.22 H new ATOM 0 HB2 ARG A 591 5.938 -2.541 -6.292 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.184 -3.728 -5.961 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.697 -5.480 -7.026 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.596 -4.195 -7.482 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.064 -4.686 -9.358 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.425 -3.081 -8.754 1.00 0.65 H new ATOM 0 HE ARG A 591 8.167 -4.861 -7.407 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.514 -3.773 -10.711 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.185 -4.003 -11.238 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.304 -5.159 -8.100 1.00 2.62 H new ATOM 0 HH22 ARG A 591 10.756 -4.785 -9.767 1.00 2.62 H new ATOM 1461 N MET A 592 7.352 -3.982 -3.306 1.00 0.17 N ATOM 1462 CA MET A 592 8.156 -3.538 -2.177 1.00 0.18 C ATOM 1463 C MET A 592 9.008 -2.339 -2.567 1.00 0.21 C ATOM 1464 O MET A 592 9.518 -2.270 -3.682 1.00 0.29 O ATOM 1465 CB MET A 592 9.026 -4.676 -1.656 1.00 0.19 C ATOM 1466 CG MET A 592 8.217 -5.807 -1.044 1.00 0.22 C ATOM 1467 SD MET A 592 9.239 -6.991 -0.156 1.00 0.29 S ATOM 1468 CE MET A 592 7.998 -8.161 0.387 1.00 0.34 C ATOM 0 H MET A 592 7.749 -4.760 -3.833 1.00 0.17 H new ATOM 0 HA MET A 592 7.484 -3.232 -1.375 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.629 -5.069 -2.474 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.717 -4.285 -0.909 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.476 -5.390 -0.362 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.670 -6.325 -1.832 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.359 -8.693 1.267 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.080 -7.628 0.636 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.798 -8.876 -0.411 1.00 0.34 H new ATOM 1478 N SER A 593 9.153 -1.390 -1.648 1.00 0.23 N ATOM 1479 CA SER A 593 9.908 -0.177 -1.928 1.00 0.26 C ATOM 1480 C SER A 593 11.402 -0.425 -1.824 1.00 0.25 C ATOM 1481 O SER A 593 11.885 -1.043 -0.865 1.00 0.27 O ATOM 1482 CB SER A 593 9.503 0.948 -0.978 1.00 0.34 C ATOM 1483 OG SER A 593 10.241 2.133 -1.237 1.00 1.37 O ATOM 0 H SER A 593 8.759 -1.438 -0.708 1.00 0.23 H new ATOM 0 HA SER A 593 9.676 0.124 -2.950 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.437 1.150 -1.084 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.667 0.633 0.053 1.00 0.34 H new ATOM 0 HG SER A 593 9.837 2.612 -1.991 1.00 1.37 H new ATOM 1489 N THR A 594 12.111 0.063 -2.826 1.00 0.27 N ATOM 1490 CA THR A 594 13.552 -0.055 -2.901 1.00 0.30 C ATOM 1491 C THR A 594 14.243 1.133 -2.232 1.00 0.31 C ATOM 1492 O THR A 594 15.438 1.081 -1.941 1.00 0.33 O ATOM 1493 CB THR A 594 13.993 -0.143 -4.372 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.345 0.892 -5.124 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.645 -1.500 -4.966 1.00 0.38 C ATOM 0 H THR A 594 11.697 0.557 -3.617 1.00 0.27 H new ATOM 0 HA THR A 594 13.843 -0.963 -2.372 1.00 0.30 H new ATOM 0 HB THR A 594 15.075 -0.017 -4.418 1.00 0.35 H new ATOM 0 HG1 THR A 594 13.625 0.840 -6.062 1.00 0.38 H new ATOM 0 HG21 THR A 594 13.968 -1.535 -6.007 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.151 -2.284 -4.403 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.567 -1.654 -4.915 1.00 0.38 H new ATOM 1503 N ARG A 595 13.489 2.199 -1.976 1.00 0.32 N ATOM 1504 CA ARG A 595 14.082 3.438 -1.478 1.00 0.37 C ATOM 1505 C ARG A 595 13.891 3.593 0.028 1.00 0.37 C ATOM 1506 O ARG A 595 14.712 4.208 0.706 1.00 0.41 O ATOM 1507 CB ARG A 595 13.464 4.648 -2.182 1.00 0.41 C ATOM 1508 CG ARG A 595 13.574 4.613 -3.694 1.00 0.46 C ATOM 1509 CD ARG A 595 13.019 5.883 -4.316 1.00 0.56 C ATOM 1510 NE ARG A 595 12.970 5.801 -5.773 1.00 1.36 N ATOM 1511 CZ ARG A 595 12.714 6.832 -6.575 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.517 8.045 -6.067 1.00 1.16 N ATOM 1513 NH2 ARG A 595 12.658 6.649 -7.887 1.00 2.75 N ATOM 0 H ARG A 595 12.477 2.231 -2.103 1.00 0.32 H new ATOM 0 HA ARG A 595 15.150 3.387 -1.690 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.411 4.715 -1.907 1.00 0.41 H new ATOM 0 HB3 ARG A 595 13.947 5.553 -1.815 1.00 0.41 H new ATOM 0 HG2 ARG A 595 14.618 4.490 -3.982 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.033 3.749 -4.080 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.017 6.068 -3.929 1.00 0.56 H new ATOM 0 HD3 ARG A 595 13.637 6.731 -4.021 1.00 0.56 H new ATOM 0 HE ARG A 595 13.143 4.893 -6.205 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.562 8.189 -5.058 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.321 8.832 -6.686 1.00 1.16 H new ATOM 0 HH21 ARG A 595 12.811 5.720 -8.279 1.00 2.75 H new ATOM 0 HH22 ARG A 595 12.462 7.437 -8.504 1.00 2.75 H new ATOM 1527 N TYR A 596 12.812 3.034 0.552 1.00 0.35 N ATOM 1528 CA TYR A 596 12.494 3.207 1.963 1.00 0.37 C ATOM 1529 C TYR A 596 12.467 1.885 2.709 1.00 0.35 C ATOM 1530 O TYR A 596 12.041 0.853 2.177 1.00 0.36 O ATOM 1531 CB TYR A 596 11.160 3.940 2.127 1.00 0.39 C ATOM 1532 CG TYR A 596 11.255 5.416 1.821 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.113 5.892 0.524 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.505 6.334 2.832 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.219 7.239 0.246 1.00 0.54 C ATOM 1536 CE2 TYR A 596 11.609 7.684 2.561 1.00 0.61 C ATOM 1537 CZ TYR A 596 11.467 8.131 1.267 1.00 0.56 C ATOM 1538 OH TYR A 596 11.579 9.475 0.990 1.00 0.65 O ATOM 0 H TYR A 596 12.148 2.463 0.030 1.00 0.35 H new ATOM 0 HA TYR A 596 13.288 3.812 2.401 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.419 3.485 1.469 1.00 0.39 H new ATOM 0 HB3 TYR A 596 10.803 3.809 3.148 1.00 0.39 H new ATOM 0 HD1 TYR A 596 10.917 5.197 -0.279 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.620 5.986 3.848 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.108 7.593 -0.768 1.00 0.54 H new ATOM 0 HE2 TYR A 596 11.801 8.385 3.360 1.00 0.61 H new ATOM 0 HH TYR A 596 10.842 9.751 0.406 1.00 0.65 H new ATOM 1548 N LYS A 597 12.936 1.934 3.946 1.00 0.38 N ATOM 1549 CA LYS A 597 12.979 0.764 4.802 1.00 0.41 C ATOM 1550 C LYS A 597 11.922 0.869 5.884 1.00 0.41 C ATOM 1551 O LYS A 597 11.497 -0.132 6.437 1.00 0.48 O ATOM 1552 CB LYS A 597 14.354 0.628 5.458 1.00 0.50 C ATOM 1553 CG LYS A 597 15.510 0.686 4.474 1.00 0.62 C ATOM 1554 CD LYS A 597 15.490 -0.465 3.481 1.00 1.29 C ATOM 1555 CE LYS A 597 16.323 -0.142 2.247 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.708 0.279 2.593 1.00 2.18 N ATOM 0 H LYS A 597 13.296 2.783 4.381 1.00 0.38 H new ATOM 0 HA LYS A 597 12.787 -0.114 4.186 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.475 1.422 6.194 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.396 -0.317 5.999 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.473 1.630 3.931 1.00 0.62 H new ATOM 0 HG3 LYS A 597 16.451 0.671 5.023 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.875 -1.367 3.957 1.00 1.29 H new ATOM 0 HD3 LYS A 597 14.462 -0.675 3.185 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.363 -1.018 1.599 1.00 1.67 H new ATOM 0 HE3 LYS A 597 15.836 0.651 1.680 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.288 0.308 1.730 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 17.685 1.224 3.027 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.120 -0.400 3.264 1.00 2.18 H new ATOM 1570 N GLU A 598 11.477 2.086 6.162 1.00 0.38 N ATOM 1571 CA GLU A 598 10.530 2.315 7.240 1.00 0.41 C ATOM 1572 C GLU A 598 9.519 3.390 6.854 1.00 0.34 C ATOM 1573 O GLU A 598 9.818 4.288 6.064 1.00 0.33 O ATOM 1574 CB GLU A 598 11.294 2.736 8.499 1.00 0.55 C ATOM 1575 CG GLU A 598 10.415 2.978 9.716 1.00 0.62 C ATOM 1576 CD GLU A 598 11.207 3.499 10.894 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.759 2.679 11.657 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.295 4.735 11.058 1.00 0.91 O ATOM 0 H GLU A 598 11.756 2.927 5.657 1.00 0.38 H new ATOM 0 HA GLU A 598 9.983 1.393 7.434 1.00 0.41 H new ATOM 0 HB2 GLU A 598 12.024 1.964 8.741 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.853 3.647 8.283 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.632 3.693 9.461 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.919 2.048 9.995 1.00 0.62 H new ATOM 1585 N LEU A 599 8.325 3.284 7.415 1.00 0.36 N ATOM 1586 CA LEU A 599 7.274 4.263 7.180 1.00 0.32 C ATOM 1587 C LEU A 599 6.991 5.059 8.443 1.00 0.33 C ATOM 1588 O LEU A 599 6.639 4.496 9.480 1.00 0.37 O ATOM 1589 CB LEU A 599 5.997 3.577 6.690 1.00 0.33 C ATOM 1590 CG LEU A 599 6.147 2.787 5.389 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.813 2.215 4.950 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.722 3.666 4.293 1.00 0.33 C ATOM 0 H LEU A 599 8.058 2.524 8.041 1.00 0.36 H new ATOM 0 HA LEU A 599 7.618 4.950 6.407 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.643 2.902 7.469 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.226 4.335 6.551 1.00 0.33 H new ATOM 0 HG LEU A 599 6.835 1.962 5.574 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.944 1.657 4.023 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.431 1.549 5.723 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.104 3.027 4.788 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.821 3.086 3.376 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.056 4.511 4.118 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.702 4.033 4.598 1.00 0.33 H new ATOM 1604 N GLN A 600 7.152 6.366 8.349 1.00 0.36 N ATOM 1605 CA GLN A 600 6.912 7.249 9.476 1.00 0.44 C ATOM 1606 C GLN A 600 5.690 8.123 9.214 1.00 0.39 C ATOM 1607 O GLN A 600 5.700 8.959 8.307 1.00 0.43 O ATOM 1608 CB GLN A 600 8.146 8.120 9.721 1.00 0.59 C ATOM 1609 CG GLN A 600 7.997 9.093 10.878 1.00 0.85 C ATOM 1610 CD GLN A 600 9.223 9.966 11.057 1.00 1.10 C ATOM 1611 OE1 GLN A 600 10.150 9.617 11.788 1.00 1.52 O ATOM 1612 NE2 GLN A 600 9.239 11.110 10.391 1.00 1.34 N ATOM 0 H GLN A 600 7.450 6.842 7.498 1.00 0.36 H new ATOM 0 HA GLN A 600 6.720 6.647 10.364 1.00 0.44 H new ATOM 0 HB2 GLN A 600 9.002 7.473 9.912 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.367 8.682 8.814 1.00 0.59 H new ATOM 0 HG2 GLN A 600 7.125 9.725 10.708 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.813 8.536 11.797 1.00 0.85 H new ATOM 0 HE21 GLN A 600 8.451 11.364 9.795 1.00 1.34 H new ATOM 0 HE22 GLN A 600 10.039 11.737 10.474 1.00 1.34 H new ATOM 1621 N LEU A 601 4.636 7.923 9.996 1.00 0.37 N ATOM 1622 CA LEU A 601 3.420 8.712 9.848 1.00 0.34 C ATOM 1623 C LEU A 601 3.628 10.135 10.346 1.00 0.39 C ATOM 1624 O LEU A 601 3.722 10.376 11.550 1.00 0.46 O ATOM 1625 CB LEU A 601 2.249 8.077 10.605 1.00 0.36 C ATOM 1626 CG LEU A 601 1.708 6.771 10.022 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.531 6.276 10.846 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.293 6.960 8.572 1.00 0.32 C ATOM 0 H LEU A 601 4.599 7.223 10.737 1.00 0.37 H new ATOM 0 HA LEU A 601 3.182 8.736 8.785 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.563 7.891 11.632 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.434 8.799 10.647 1.00 0.36 H new ATOM 0 HG LEU A 601 2.501 6.024 10.057 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.155 5.346 10.421 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.853 6.102 11.873 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.261 7.025 10.837 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.911 6.019 8.177 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.515 7.721 8.513 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.155 7.277 7.985 1.00 0.32 H new ATOM 1640 N LYS A 602 3.731 11.069 9.416 1.00 0.41 N ATOM 1641 CA LYS A 602 3.803 12.483 9.757 1.00 0.48 C ATOM 1642 C LYS A 602 2.402 13.082 9.803 1.00 0.46 C ATOM 1643 O LYS A 602 2.204 14.209 10.253 1.00 0.51 O ATOM 1644 CB LYS A 602 4.672 13.232 8.748 1.00 0.59 C ATOM 1645 CG LYS A 602 6.126 12.784 8.758 1.00 0.69 C ATOM 1646 CD LYS A 602 6.978 13.610 7.809 1.00 0.93 C ATOM 1647 CE LYS A 602 6.519 13.460 6.369 1.00 1.49 C ATOM 1648 NZ LYS A 602 7.347 14.266 5.434 1.00 1.73 N ATOM 0 H LYS A 602 3.767 10.875 8.415 1.00 0.41 H new ATOM 0 HA LYS A 602 4.259 12.583 10.742 1.00 0.48 H new ATOM 0 HB2 LYS A 602 4.262 13.089 7.748 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.626 14.300 8.961 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.525 12.866 9.769 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.184 11.732 8.477 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.932 14.660 8.098 1.00 0.93 H new ATOM 0 HD3 LYS A 602 8.020 13.302 7.893 1.00 0.93 H new ATOM 0 HE2 LYS A 602 6.566 12.410 6.081 1.00 1.49 H new ATOM 0 HE3 LYS A 602 5.476 13.767 6.287 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 7.044 14.083 4.456 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.230 15.277 5.649 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.347 14.003 5.541 1.00 1.73 H new ATOM 1662 N LYS A 603 1.438 12.314 9.318 1.00 0.44 N ATOM 1663 CA LYS A 603 0.042 12.720 9.337 1.00 0.48 C ATOM 1664 C LYS A 603 -0.774 11.718 10.147 1.00 0.54 C ATOM 1665 O LYS A 603 -0.434 10.533 10.197 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.503 12.837 7.905 1.00 0.58 C ATOM 1667 CG LYS A 603 0.143 13.959 7.102 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.092 15.317 7.754 1.00 0.79 C ATOM 1669 CE LYS A 603 0.651 16.425 7.027 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.455 17.749 7.676 1.00 1.69 N ATOM 0 H LYS A 603 1.601 11.397 8.902 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.038 13.700 9.808 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.346 11.892 7.386 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.580 13.003 7.946 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.214 13.776 7.015 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.263 13.964 6.090 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.159 15.538 7.760 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.233 15.283 8.794 1.00 0.79 H new ATOM 0 HE2 LYS A 603 1.715 16.190 6.999 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.308 16.474 5.994 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.979 18.476 7.148 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.557 17.987 7.681 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 0.806 17.712 8.654 1.00 1.69 H new ATOM 1684 N PRO A 604 -1.839 12.186 10.821 1.00 0.67 N ATOM 1685 CA PRO A 604 -2.692 11.324 11.642 1.00 0.81 C ATOM 1686 C PRO A 604 -3.478 10.328 10.805 1.00 0.80 C ATOM 1687 O PRO A 604 -3.854 10.612 9.665 1.00 1.21 O ATOM 1688 CB PRO A 604 -3.644 12.301 12.334 1.00 1.01 C ATOM 1689 CG PRO A 604 -3.667 13.497 11.451 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.295 13.588 10.841 1.00 0.82 C ATOM 0 HA PRO A 604 -2.105 10.722 12.336 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -4.640 11.872 12.445 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.293 12.554 13.334 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.431 13.398 10.680 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -3.902 14.397 12.019 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.328 14.015 9.838 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -1.632 14.218 11.434 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.749 9.174 11.389 1.00 0.68 N ATOM 1699 CA GLY A 605 -4.443 8.135 10.680 1.00 0.80 C ATOM 1700 C GLY A 605 -5.799 7.871 11.277 1.00 0.84 C ATOM 1701 O GLY A 605 -6.176 8.469 12.286 1.00 1.23 O ATOM 0 H GLY A 605 -3.496 8.941 12.349 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -4.554 8.419 9.633 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.851 7.220 10.701 1.00 0.80 H new ATOM 1705 N LYS A 606 -6.521 6.980 10.649 1.00 0.92 N ATOM 1706 CA LYS A 606 -7.849 6.596 11.093 1.00 1.10 C ATOM 1707 C LYS A 606 -7.819 5.138 11.511 1.00 0.81 C ATOM 1708 O LYS A 606 -6.915 4.402 11.112 1.00 0.82 O ATOM 1709 CB LYS A 606 -8.853 6.786 9.954 1.00 1.50 C ATOM 1710 CG LYS A 606 -8.788 8.161 9.302 1.00 1.82 C ATOM 1711 CD LYS A 606 -9.255 9.262 10.241 1.00 2.34 C ATOM 1712 CE LYS A 606 -9.136 10.633 9.591 1.00 2.84 C ATOM 1713 NZ LYS A 606 -9.905 10.714 8.319 1.00 3.47 N ATOM 0 H LYS A 606 -6.208 6.493 9.809 1.00 0.92 H new ATOM 0 HA LYS A 606 -8.152 7.218 11.935 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -8.675 6.025 9.194 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -9.860 6.623 10.338 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -7.765 8.364 8.987 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -9.405 8.165 8.404 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -10.291 9.082 10.528 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -8.662 9.238 11.155 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -9.497 11.395 10.282 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -8.086 10.852 9.395 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -9.983 11.708 8.023 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -9.414 10.170 7.581 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -10.857 10.320 8.463 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.774 4.724 12.334 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.885 3.326 12.728 1.00 0.48 C ATOM 1729 C ASN A 607 -9.034 2.428 11.507 1.00 0.43 C ATOM 1730 O ASN A 607 -9.986 2.549 10.737 1.00 0.60 O ATOM 1731 CB ASN A 607 -10.081 3.138 13.666 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.309 1.686 14.045 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.371 0.894 14.123 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.563 1.328 14.276 1.00 1.33 N ATOM 0 H ASN A 607 -9.482 5.336 12.741 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.971 3.044 13.251 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.923 3.724 14.571 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.978 3.529 13.186 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.780 0.364 14.529 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.312 2.016 14.201 1.00 1.33 H new ATOM 1741 N VAL A 608 -8.094 1.511 11.363 1.00 0.30 N ATOM 1742 CA VAL A 608 -8.036 0.634 10.209 1.00 0.22 C ATOM 1743 C VAL A 608 -8.917 -0.606 10.414 1.00 0.21 C ATOM 1744 O VAL A 608 -9.300 -1.277 9.456 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.567 0.241 9.918 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.465 -0.754 8.781 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.745 1.485 9.601 1.00 0.27 C ATOM 0 H VAL A 608 -7.350 1.354 12.043 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.427 1.168 9.343 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.170 -0.238 10.813 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.418 -1.004 8.609 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -7.016 -1.658 9.039 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.887 -0.317 7.876 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.713 1.197 9.398 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.162 1.983 8.726 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.771 2.165 10.452 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.266 -0.891 11.665 1.00 0.28 N ATOM 1758 CA ALA A 609 -10.180 -1.993 11.967 1.00 0.33 C ATOM 1759 C ALA A 609 -11.552 -1.734 11.350 1.00 0.32 C ATOM 1760 O ALA A 609 -12.230 -2.654 10.887 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.303 -2.196 13.469 1.00 0.44 C ATOM 0 H ALA A 609 -8.934 -0.379 12.482 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.770 -2.904 11.532 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.987 -3.020 13.670 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.323 -2.428 13.886 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.687 -1.285 13.929 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.939 -0.464 11.321 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.196 -0.059 10.708 1.00 0.35 C ATOM 1769 C ALA A 610 -13.160 -0.316 9.208 1.00 0.30 C ATOM 1770 O ALA A 610 -14.191 -0.528 8.570 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.472 1.410 10.988 1.00 0.40 C ATOM 0 H ALA A 610 -11.397 0.304 11.717 1.00 0.33 H new ATOM 0 HA ALA A 610 -14.001 -0.651 11.142 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.415 1.698 10.523 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.534 1.570 12.064 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.665 2.017 10.577 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.956 -0.291 8.650 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.759 -0.559 7.239 1.00 0.23 C ATOM 1779 C ILE A 611 -11.972 -2.051 6.955 1.00 0.22 C ATOM 1780 O ILE A 611 -12.436 -2.430 5.881 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.355 -0.103 6.781 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.193 1.399 7.031 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.144 -0.411 5.305 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.817 1.927 6.694 1.00 0.23 C ATOM 0 H ILE A 611 -11.098 -0.086 9.162 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.493 0.012 6.670 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.606 -0.648 7.356 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.934 1.938 6.441 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.406 1.609 8.079 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.150 -0.082 5.003 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.236 -1.485 5.140 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.895 0.113 4.713 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.778 2.997 6.897 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.072 1.415 7.303 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.608 1.750 5.639 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.636 -2.901 7.929 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.929 -4.332 7.825 1.00 0.24 C ATOM 1798 C ILE A 612 -13.433 -4.552 7.715 1.00 0.27 C ATOM 1799 O ILE A 612 -13.905 -5.324 6.875 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.407 -5.125 9.047 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.911 -4.886 9.256 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.679 -6.613 8.862 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.358 -5.535 10.506 1.00 0.31 C ATOM 0 H ILE A 612 -11.165 -2.626 8.791 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.420 -4.695 6.932 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.936 -4.773 9.933 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.368 -5.265 8.390 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.727 -3.813 9.303 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.307 -7.161 9.728 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.752 -6.777 8.762 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.172 -6.967 7.964 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.292 -5.321 10.586 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.874 -5.139 11.380 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.509 -6.613 10.453 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.181 -3.838 8.548 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.640 -3.883 8.506 1.00 0.35 C ATOM 1817 C GLN A 613 -16.138 -3.347 7.167 1.00 0.34 C ATOM 1818 O GLN A 613 -17.169 -3.772 6.647 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.222 -3.054 9.652 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.779 -3.525 11.029 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.284 -2.638 12.152 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -15.635 -2.503 13.188 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -17.446 -2.032 11.964 1.00 2.31 N ATOM 0 H GLN A 613 -13.801 -3.219 9.264 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.967 -4.917 8.617 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.929 -2.012 9.522 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.310 -3.088 9.598 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -16.134 -4.543 11.190 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.690 -3.559 11.062 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -17.957 -2.167 11.091 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -17.831 -1.430 12.692 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.363 -2.428 6.616 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.687 -1.787 5.349 1.00 0.33 C ATOM 1834 C ASP A 614 -15.550 -2.787 4.204 1.00 0.30 C ATOM 1835 O ASP A 614 -16.417 -2.876 3.335 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.763 -0.593 5.118 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.358 0.433 4.181 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -15.840 1.480 4.656 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.350 0.190 2.951 1.00 1.09 O ATOM 0 H ASP A 614 -14.491 -2.104 7.033 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.718 -1.435 5.384 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.541 -0.120 6.075 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.816 -0.946 4.710 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.461 -3.556 4.228 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.207 -4.577 3.217 1.00 0.27 C ATOM 1846 C ILE A 615 -15.305 -5.626 3.229 1.00 0.32 C ATOM 1847 O ILE A 615 -15.861 -5.968 2.190 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.863 -5.283 3.472 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.726 -4.271 3.429 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.633 -6.388 2.446 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.400 -4.834 3.860 1.00 0.18 C ATOM 0 H ILE A 615 -13.737 -3.488 4.943 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.180 -4.075 2.250 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.891 -5.739 4.462 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.634 -3.884 2.414 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.978 -3.427 4.071 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.678 -6.875 2.643 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.436 -7.122 2.516 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.621 -5.958 1.445 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.639 -4.056 3.803 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.474 -5.195 4.886 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.125 -5.659 3.204 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.618 -6.114 4.422 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.621 -7.163 4.595 1.00 0.46 C ATOM 1865 C HIS A 616 -18.001 -6.685 4.160 1.00 0.44 C ATOM 1866 O HIS A 616 -18.836 -7.480 3.730 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.671 -7.625 6.054 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.477 -8.424 6.485 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.538 -9.405 7.450 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.182 -8.371 6.091 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.336 -9.918 7.631 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.496 -9.308 6.818 1.00 0.82 N ATOM 0 H HIS A 616 -15.189 -5.799 5.292 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.331 -8.003 3.963 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.761 -6.750 6.698 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.569 -8.224 6.203 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.767 -7.712 5.342 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.083 -10.704 8.327 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.498 -9.502 6.743 1.00 0.82 H new ATOM 1881 N SER A 617 -18.235 -5.386 4.282 1.00 0.45 N ATOM 1882 CA SER A 617 -19.494 -4.792 3.870 1.00 0.51 C ATOM 1883 C SER A 617 -19.619 -4.823 2.345 1.00 0.49 C ATOM 1884 O SER A 617 -20.708 -5.012 1.800 1.00 0.57 O ATOM 1885 CB SER A 617 -19.588 -3.354 4.395 1.00 0.58 C ATOM 1886 OG SER A 617 -20.895 -2.824 4.247 1.00 1.18 O ATOM 0 H SER A 617 -17.563 -4.722 4.666 1.00 0.45 H new ATOM 0 HA SER A 617 -20.317 -5.370 4.291 1.00 0.51 H new ATOM 0 HB2 SER A 617 -19.304 -3.332 5.447 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.878 -2.724 3.859 1.00 0.58 H new ATOM 0 HG SER A 617 -20.918 -1.908 4.593 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.490 -4.656 1.664 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.459 -4.691 0.208 1.00 0.58 C ATOM 1894 C GLN A 618 -18.369 -6.128 -0.298 1.00 1.36 C ATOM 1895 O GLN A 618 -19.243 -6.594 -1.029 1.00 2.14 O ATOM 1896 CB GLN A 618 -17.278 -3.874 -0.318 1.00 1.70 C ATOM 1897 CG GLN A 618 -17.404 -2.384 -0.048 1.00 2.78 C ATOM 1898 CD GLN A 618 -18.577 -1.757 -0.779 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -18.954 -2.198 -1.864 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -19.164 -0.729 -0.191 1.00 4.68 N ATOM 0 H GLN A 618 -17.582 -4.495 2.100 1.00 0.49 H new ATOM 0 HA GLN A 618 -19.386 -4.252 -0.163 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -16.360 -4.242 0.139 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -17.185 -4.034 -1.392 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.519 -2.221 1.024 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -16.483 -1.884 -0.350 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -18.822 -0.393 0.709 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -19.959 -0.272 -0.637 1.00 4.68 H new ATOM 1909 N ARG A 619 -17.316 -6.828 0.101 1.00 2.22 N ATOM 1910 CA ARG A 619 -17.113 -8.207 -0.316 1.00 3.46 C ATOM 1911 C ARG A 619 -16.977 -9.108 0.902 1.00 4.18 C ATOM 1912 O ARG A 619 -15.958 -9.080 1.594 1.00 4.57 O ATOM 1913 CB ARG A 619 -15.855 -8.349 -1.180 1.00 4.18 C ATOM 1914 CG ARG A 619 -15.808 -7.424 -2.384 1.00 4.41 C ATOM 1915 CD ARG A 619 -14.656 -7.782 -3.311 1.00 5.33 C ATOM 1916 NE ARG A 619 -13.381 -7.893 -2.598 1.00 6.03 N ATOM 1917 CZ ARG A 619 -12.203 -8.083 -3.194 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -12.126 -8.165 -4.518 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -11.104 -8.201 -2.461 1.00 7.77 N ATOM 0 H ARG A 619 -16.588 -6.462 0.714 1.00 2.22 H new ATOM 0 HA ARG A 619 -17.981 -8.503 -0.906 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -14.980 -8.160 -0.558 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -15.783 -9.380 -1.527 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -16.750 -7.486 -2.930 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -15.701 -6.392 -2.049 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -14.874 -8.726 -3.810 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -14.570 -7.023 -4.089 1.00 5.33 H new ATOM 0 HE ARG A 619 -13.395 -7.820 -1.581 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -12.971 -8.083 -5.084 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -11.222 -8.310 -4.968 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -11.161 -8.146 -1.444 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -10.202 -8.346 -2.914 1.00 7.77 H new ATOM 1933 N GLU A 620 -18.006 -9.889 1.178 1.00 4.80 N ATOM 1934 CA GLU A 620 -17.937 -10.864 2.251 1.00 5.84 C ATOM 1935 C GLU A 620 -17.390 -12.184 1.720 1.00 6.68 C ATOM 1936 O GLU A 620 -17.715 -12.597 0.603 1.00 7.20 O ATOM 1937 CB GLU A 620 -19.312 -11.078 2.887 1.00 6.43 C ATOM 1938 CG GLU A 620 -19.314 -12.159 3.953 1.00 6.93 C ATOM 1939 CD GLU A 620 -20.666 -12.358 4.600 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -20.830 -11.957 5.772 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -21.561 -12.933 3.950 1.00 7.86 O ATOM 0 H GLU A 620 -18.894 -9.868 0.677 1.00 4.80 H new ATOM 0 HA GLU A 620 -17.265 -10.482 3.020 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -19.651 -10.141 3.328 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -20.028 -11.342 2.109 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -18.990 -13.100 3.507 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -18.585 -11.903 4.722 1.00 6.93 H new ATOM 1948 N ARG A 621 -16.551 -12.829 2.519 1.00 7.11 N ATOM 1949 CA ARG A 621 -15.958 -14.100 2.142 1.00 8.13 C ATOM 1950 C ARG A 621 -16.893 -15.243 2.509 1.00 9.01 C ATOM 1951 O ARG A 621 -17.052 -15.515 3.718 1.00 9.48 O ATOM 1952 CB ARG A 621 -14.611 -14.292 2.835 1.00 8.49 C ATOM 1953 CG ARG A 621 -13.612 -13.184 2.552 1.00 8.97 C ATOM 1954 CD ARG A 621 -12.360 -13.341 3.395 1.00 9.41 C ATOM 1955 NE ARG A 621 -12.671 -13.402 4.825 1.00 9.86 N ATOM 1956 CZ ARG A 621 -11.931 -12.837 5.775 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -10.819 -12.187 5.459 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -12.299 -12.936 7.045 1.00 11.00 N ATOM 1959 OXT ARG A 621 -17.464 -15.864 1.594 1.00 9.43 O ATOM 0 H ARG A 621 -16.266 -12.488 3.437 1.00 7.11 H new ATOM 0 HA ARG A 621 -15.799 -14.098 1.064 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -14.773 -14.356 3.911 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -14.183 -15.243 2.519 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -13.345 -13.194 1.495 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -14.071 -12.217 2.756 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -11.834 -14.248 3.099 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -11.687 -12.505 3.205 1.00 9.41 H new ATOM 0 HE ARG A 621 -13.508 -13.910 5.110 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -10.528 -12.119 4.484 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -10.255 -11.755 6.191 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -13.148 -13.445 7.292 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -11.733 -12.504 7.775 1.00 11.00 H new TER 1973 ARG A 621