USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 972 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 603 LYS NZ :NH3+ -173:sc= 0.455 (180deg=-0.273) USER MOD Set 1.2: B 5 U O2' : rot -12:sc= 1.37 USER MOD Set 2.1: A 516 LYS NZ :NH3+ 155:sc= 0.851 (180deg=0.721) USER MOD Set 2.2: A 593 SER OG : rot 119:sc= -2.49! USER MOD Set 3.1: A 531 SER OG : rot 110:sc= 0.382 USER MOD Set 3.2: A 584 ASN : amide:sc= 0.311 K(o=0.69,f=-0.55!) USER MOD Set 4.1: A 553 MET CE :methyl -133:sc= -0.222 (180deg=-2.03!) USER MOD Set 4.2: A 556 THR OG1 : rot -130:sc= -0.028 USER MOD Set 5.1: A 535 ASN : amide:sc= 0.826 X(o=-3.8,f=-3.4) USER MOD Set 5.2: A 539 ASN : amide:sc= -4.64 X(o=-3.8,f=-3.4!) USER MOD Set 6.1: A 523 HIS :FLIP+bothHN:sc= -0.977 F(o=-0.96,f=2) USER MOD Set 6.2: A 525 CYS SG : rot -177:sc= 1.57 USER MOD Set 6.3: A 526 ASN : amide:sc= 0.185 K(o=2,f=1.3) USER MOD Set 6.4: A 558 GLN : amide:sc= 0.117 K(o=2,f=-2.9!) USER MOD Set 6.5: B 2 U O2' : rot 154:sc= 1.08 USER MOD Single : A 512 MET CE :methyl 162:sc= -0.124 (180deg=-0.598) USER MOD Single : A 514 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 532 CYS SG : rot 16:sc= -1.12! USER MOD Single : A 533 THR OG1 : rot -163:sc= 0.509 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 91:sc= 0.402 USER MOD Single : A 549 ASN :FLIP amide:sc= -0.249 F(o=-2.5!,f=-0.25) USER MOD Single : A 550 TYR OH : rot 165:sc= 0 USER MOD Single : A 554 LYS NZ :NH3+ -167:sc= -0.207 (180deg=-0.546) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 563 MET CE :methyl -177:sc= -5.51! (180deg=-5.61!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= -0.0636 USER MOD Single : A 570 GLN : amide:sc= -2.62! C(o=-2.6!,f=-7.2!) USER MOD Single : A 572 MET CE :methyl 161:sc= -5.23! (180deg=-6.34!) USER MOD Single : A 574 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.32) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 60:sc= -3.03! USER MOD Single : A 577 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.74) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ 166:sc= -0.0262 (180deg=-0.211) USER MOD Single : A 592 MET CE :methyl 163:sc= -0.112 (180deg=-0.282) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 ASN : amide:sc= 0.473 K(o=0.47,f=-11!) USER MOD Single : A 613 GLN : amide:sc= -0.079 X(o=-0.079,f=-0.071) USER MOD Single : A 616 HIS :FLIP no HE2:sc= 0.217 F(o=-0.76,f=0.22) USER MOD Single : A 617 SER OG : rot 67:sc= 0.762 USER MOD Single : A 618 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.046) USER MOD Single : B 1 ADN O2' : rot 17:sc= 0.172 USER MOD Single : B 1 ADN O5' : rot 180:sc= -0.635 USER MOD Single : B 3 C O2' : rot -9:sc= -0.527 USER MOD Single : B 4 U O2' : rot 154:sc= 1.31 USER MOD Single : B 6 A O2' : rot 167:sc= 0.00552 USER MOD Single : B 6 A O3' : rot 138:sc= 0.16 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 9.548 2.523 -15.070 1.00 3.64 O HETATM 2 C5' ADN B 1 9.681 2.696 -13.656 1.00 3.04 C HETATM 3 C4' ADN B 1 8.664 1.872 -12.900 1.00 2.61 C HETATM 4 O4' ADN B 1 7.376 2.011 -13.557 1.00 3.25 O HETATM 5 C3' ADN B 1 8.936 0.372 -12.863 1.00 2.05 C HETATM 6 O3' ADN B 1 8.441 -0.218 -11.663 1.00 2.33 O HETATM 7 C2' ADN B 1 8.192 -0.143 -14.091 1.00 2.68 C HETATM 8 O2' ADN B 1 7.783 -1.487 -13.935 1.00 3.28 O HETATM 9 C1' ADN B 1 6.965 0.764 -14.081 1.00 3.33 C HETATM 10 N9 ADN B 1 6.400 1.004 -15.406 1.00 4.21 N HETATM 11 C8 ADN B 1 7.035 1.566 -16.477 1.00 4.58 C HETATM 12 N7 ADN B 1 6.276 1.697 -17.536 1.00 5.53 N HETATM 13 C5 ADN B 1 5.053 1.183 -17.131 1.00 5.90 C HETATM 14 C6 ADN B 1 3.826 1.037 -17.796 1.00 7.05 C HETATM 15 N6 ADN B 1 3.624 1.414 -19.060 1.00 7.92 N HETATM 16 N1 ADN B 1 2.802 0.485 -17.110 1.00 7.44 N HETATM 17 C2 ADN B 1 3.009 0.111 -15.839 1.00 6.72 C HETATM 18 N3 ADN B 1 4.118 0.198 -15.106 1.00 5.56 N HETATM 19 C4 ADN B 1 5.114 0.750 -15.818 1.00 5.16 C HETATM 0 HO5' ADN B 1 10.218 3.070 -15.531 1.00 3.64 H new HETATM 0 HO2' ADN B 1 7.814 -1.730 -12.986 1.00 3.28 H new HETATM 0 HN62 ADN B 1 2.709 1.283 -19.491 1.00 7.92 H new HETATM 0 HN61 ADN B 1 4.385 1.833 -19.595 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 10.686 2.410 -13.346 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 9.558 3.749 -13.404 1.00 3.04 H new HETATM 0 H8 ADN B 1 8.079 1.877 -16.452 1.00 4.58 H new HETATM 0 H4' ADN B 1 8.703 2.249 -11.878 1.00 2.61 H new HETATM 0 H3' ADN B 1 9.998 0.128 -12.876 1.00 2.05 H new HETATM 0 H2' ADN B 1 8.790 -0.124 -15.002 1.00 2.68 H new HETATM 0 H2 ADN B 1 2.148 -0.326 -15.334 1.00 6.72 H new HETATM 0 H1' ADN B 1 6.194 0.271 -13.489 1.00 3.33 H new ATOM 32 P U B 2 9.040 0.233 -10.240 1.00 2.37 P ATOM 33 OP1 U B 2 10.500 -0.041 -10.236 1.00 2.99 O ATOM 34 OP2 U B 2 8.175 -0.349 -9.186 1.00 2.93 O ATOM 35 O5' U B 2 8.826 1.811 -10.224 1.00 2.04 O ATOM 36 C5' U B 2 9.688 2.668 -9.480 1.00 1.73 C ATOM 37 C4' U B 2 8.932 3.901 -9.048 1.00 1.24 C ATOM 38 O4' U B 2 8.039 4.298 -10.127 1.00 1.07 O ATOM 39 C3' U B 2 8.035 3.711 -7.826 1.00 0.95 C ATOM 40 O3' U B 2 7.922 4.877 -7.001 1.00 0.97 O ATOM 41 C2' U B 2 6.694 3.342 -8.448 1.00 0.83 C ATOM 42 O2' U B 2 5.605 3.694 -7.622 1.00 1.12 O ATOM 43 C1' U B 2 6.699 4.242 -9.680 1.00 0.74 C ATOM 44 N1 U B 2 5.839 3.776 -10.778 1.00 0.76 N ATOM 45 C2 U B 2 5.198 4.740 -11.539 1.00 1.11 C ATOM 46 O2 U B 2 5.351 5.936 -11.356 1.00 1.49 O ATOM 47 N3 U B 2 4.376 4.253 -12.523 1.00 1.23 N ATOM 48 C4 U B 2 4.129 2.930 -12.821 1.00 1.12 C ATOM 49 O4 U B 2 3.352 2.647 -13.734 1.00 1.35 O ATOM 50 C5 U B 2 4.828 1.997 -11.993 1.00 1.05 C ATOM 51 C6 U B 2 5.641 2.434 -11.025 1.00 0.89 C ATOM 0 H5' U B 2 10.548 2.951 -10.087 1.00 1.73 H new ATOM 0 H5'' U B 2 10.074 2.142 -8.607 1.00 1.73 H new ATOM 0 H4' U B 2 9.699 4.634 -8.799 1.00 1.24 H new ATOM 0 H3' U B 2 8.436 2.961 -7.144 1.00 0.95 H new ATOM 0 H2' U B 2 6.583 2.273 -8.632 1.00 0.83 H new ATOM 0 HO2' U B 2 4.808 3.834 -8.174 1.00 1.12 H new ATOM 0 H1' U B 2 6.296 5.213 -9.394 1.00 0.74 H new ATOM 0 H3 U B 2 3.895 4.945 -13.097 1.00 1.23 H new ATOM 0 H5 U B 2 4.699 0.936 -12.150 1.00 1.05 H new ATOM 0 H6 U B 2 6.161 1.710 -10.415 1.00 0.89 H new ATOM 62 P C B 3 8.551 6.302 -7.411 1.00 1.05 P ATOM 63 OP1 C B 3 7.943 6.712 -8.701 1.00 1.58 O ATOM 64 OP2 C B 3 10.030 6.212 -7.293 1.00 1.17 O ATOM 65 O5' C B 3 8.012 7.297 -6.289 1.00 1.07 O ATOM 66 C5' C B 3 8.882 7.887 -5.326 1.00 0.98 C ATOM 67 C4' C B 3 8.530 7.403 -3.939 1.00 0.86 C ATOM 68 O4' C B 3 8.206 5.986 -4.001 1.00 0.90 O ATOM 69 C3' C B 3 9.650 7.535 -2.914 1.00 0.69 C ATOM 70 O3' C B 3 9.152 8.026 -1.676 1.00 0.87 O ATOM 71 C2' C B 3 10.225 6.130 -2.790 1.00 0.63 C ATOM 72 O2' C B 3 10.679 5.859 -1.481 1.00 0.82 O ATOM 73 C1' C B 3 9.003 5.266 -3.083 1.00 0.75 C ATOM 74 N1 C B 3 9.348 3.959 -3.666 1.00 0.69 N ATOM 75 C2 C B 3 9.090 2.797 -2.930 1.00 0.96 C ATOM 76 O2 C B 3 8.553 2.895 -1.815 1.00 1.32 O ATOM 77 N3 C B 3 9.432 1.596 -3.449 1.00 0.95 N ATOM 78 C4 C B 3 10.010 1.527 -4.650 1.00 0.70 C ATOM 79 N4 C B 3 10.333 0.319 -5.117 1.00 0.76 N ATOM 80 C5 C B 3 10.283 2.693 -5.422 1.00 0.69 C ATOM 81 C6 C B 3 9.939 3.876 -4.895 1.00 0.67 C ATOM 0 H5' C B 3 8.803 8.973 -5.371 1.00 0.98 H new ATOM 0 H5'' C B 3 9.917 7.633 -5.556 1.00 0.98 H new ATOM 0 H4' C B 3 7.701 8.034 -3.618 1.00 0.86 H new ATOM 0 H3' C B 3 10.414 8.252 -3.216 1.00 0.69 H new ATOM 0 H2' C B 3 11.082 5.966 -3.443 1.00 0.63 H new ATOM 0 HO2' C B 3 10.658 6.683 -0.950 1.00 0.82 H new ATOM 0 H1' C B 3 8.485 5.059 -2.146 1.00 0.75 H new ATOM 0 H41 C B 3 10.776 0.227 -6.031 1.00 0.76 H new ATOM 0 H42 C B 3 10.137 -0.512 -4.560 1.00 0.76 H new ATOM 0 H5 C B 3 10.749 2.626 -6.394 1.00 0.69 H new ATOM 0 H6 C B 3 10.133 4.781 -5.452 1.00 0.67 H new ATOM 93 P U B 4 9.137 9.613 -1.435 1.00 0.75 P ATOM 94 OP1 U B 4 8.620 10.246 -2.675 1.00 1.02 O ATOM 95 OP2 U B 4 10.468 10.016 -0.914 1.00 1.15 O ATOM 96 O5' U B 4 8.061 9.847 -0.285 1.00 0.71 O ATOM 97 C5' U B 4 7.879 11.149 0.265 1.00 0.76 C ATOM 98 C4' U B 4 6.473 11.316 0.785 1.00 0.65 C ATOM 99 O4' U B 4 6.134 10.166 1.607 1.00 0.61 O ATOM 100 C3' U B 4 6.275 12.525 1.689 1.00 0.67 C ATOM 101 O3' U B 4 4.946 13.020 1.607 1.00 0.79 O ATOM 102 C2' U B 4 6.573 11.960 3.072 1.00 0.63 C ATOM 103 O2' U B 4 5.931 12.689 4.099 1.00 0.77 O ATOM 104 C1' U B 4 5.929 10.583 2.943 1.00 0.58 C ATOM 105 N1 U B 4 6.513 9.582 3.847 1.00 0.58 N ATOM 106 C2 U B 4 6.231 9.689 5.195 1.00 0.66 C ATOM 107 O2 U B 4 5.529 10.573 5.661 1.00 0.71 O ATOM 108 N3 U B 4 6.803 8.724 5.981 1.00 0.75 N ATOM 109 C4 U B 4 7.608 7.685 5.567 1.00 0.79 C ATOM 110 O4 U B 4 8.035 6.885 6.398 1.00 0.93 O ATOM 111 C5 U B 4 7.855 7.648 4.160 1.00 0.72 C ATOM 112 C6 U B 4 7.314 8.575 3.364 1.00 0.62 C ATOM 0 H5' U B 4 8.083 11.902 -0.496 1.00 0.76 H new ATOM 0 H5'' U B 4 8.593 11.311 1.073 1.00 0.76 H new ATOM 0 H4' U B 4 5.852 11.434 -0.103 1.00 0.65 H new ATOM 0 H3' U B 4 6.908 13.372 1.423 1.00 0.67 H new ATOM 0 H2' U B 4 7.631 11.976 3.334 1.00 0.63 H new ATOM 0 HO2' U B 4 5.793 12.108 4.876 1.00 0.77 H new ATOM 0 H1' U B 4 4.875 10.663 3.211 1.00 0.58 H new ATOM 0 H3 U B 4 6.612 8.781 6.981 1.00 0.75 H new ATOM 0 H5 U B 4 8.478 6.872 3.741 1.00 0.72 H new ATOM 0 H6 U B 4 7.513 8.531 2.303 1.00 0.62 H new ATOM 123 P U B 5 4.670 14.511 1.081 1.00 0.85 P ATOM 124 OP1 U B 5 5.559 14.748 -0.087 1.00 1.03 O ATOM 125 OP2 U B 5 4.715 15.433 2.245 1.00 1.33 O ATOM 126 O5' U B 5 3.170 14.446 0.554 1.00 0.85 O ATOM 127 C5' U B 5 2.696 13.287 -0.126 1.00 0.75 C ATOM 128 C4' U B 5 1.265 12.996 0.258 1.00 0.55 C ATOM 129 O4' U B 5 1.251 11.953 1.273 1.00 0.43 O ATOM 130 C3' U B 5 0.492 14.168 0.855 1.00 0.55 C ATOM 131 O3' U B 5 -0.843 14.208 0.368 1.00 0.57 O ATOM 132 C2' U B 5 0.522 13.899 2.354 1.00 0.48 C ATOM 133 O2' U B 5 -0.614 14.427 3.009 1.00 0.53 O ATOM 134 C1' U B 5 0.459 12.375 2.361 1.00 0.37 C ATOM 135 N1 U B 5 0.956 11.762 3.603 1.00 0.37 N ATOM 136 C2 U B 5 0.059 11.024 4.354 1.00 0.37 C ATOM 137 O2 U B 5 -1.096 10.831 4.010 1.00 0.40 O ATOM 138 N3 U B 5 0.564 10.511 5.523 1.00 0.43 N ATOM 139 C4 U B 5 1.846 10.657 6.007 1.00 0.48 C ATOM 140 O4 U B 5 2.146 10.153 7.090 1.00 0.56 O ATOM 141 C5 U B 5 2.712 11.428 5.168 1.00 0.49 C ATOM 142 C6 U B 5 2.255 11.943 4.021 1.00 0.44 C ATOM 0 H5' U B 5 3.326 12.432 0.119 1.00 0.75 H new ATOM 0 H5'' U B 5 2.766 13.436 -1.203 1.00 0.75 H new ATOM 0 H4' U B 5 0.780 12.722 -0.679 1.00 0.55 H new ATOM 0 H3' U B 5 0.926 15.132 0.592 1.00 0.55 H new ATOM 0 H2' U B 5 1.377 14.343 2.864 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.098 15.020 2.397 1.00 0.53 H new ATOM 0 H1' U B 5 -0.582 12.061 2.286 1.00 0.37 H new ATOM 0 H3 U B 5 -0.079 9.963 6.095 1.00 0.43 H new ATOM 0 H5 U B 5 3.738 11.595 5.462 1.00 0.49 H new ATOM 0 H6 U B 5 2.927 12.520 3.403 1.00 0.44 H new ATOM 153 P A B 6 -1.196 15.077 -0.936 1.00 0.96 P ATOM 154 OP1 A B 6 -0.803 14.290 -2.133 1.00 1.91 O ATOM 155 OP2 A B 6 -0.644 16.440 -0.734 1.00 1.79 O ATOM 156 O5' A B 6 -2.786 15.173 -0.898 1.00 1.70 O ATOM 157 C5' A B 6 -3.441 16.278 -0.280 1.00 2.27 C ATOM 158 C4' A B 6 -3.463 16.105 1.220 1.00 2.74 C ATOM 159 O4' A B 6 -2.188 16.553 1.759 1.00 2.62 O ATOM 160 C3' A B 6 -4.517 16.929 1.950 1.00 3.36 C ATOM 161 O3' A B 6 -4.954 16.284 3.150 1.00 4.05 O ATOM 162 C2' A B 6 -3.778 18.226 2.256 1.00 3.45 C ATOM 163 O2' A B 6 -4.310 18.878 3.392 1.00 4.23 O ATOM 164 C1' A B 6 -2.386 17.688 2.580 1.00 3.13 C ATOM 165 N9 A B 6 -1.309 18.646 2.327 1.00 3.07 N ATOM 166 C8 A B 6 -1.389 20.018 2.317 1.00 3.68 C ATOM 167 N7 A B 6 -0.250 20.613 2.057 1.00 3.79 N ATOM 168 C5 A B 6 0.641 19.563 1.884 1.00 3.15 C ATOM 169 C6 A B 6 2.015 19.530 1.586 1.00 3.12 C ATOM 170 N6 A B 6 2.758 20.623 1.407 1.00 3.76 N ATOM 171 N1 A B 6 2.606 18.321 1.481 1.00 2.64 N ATOM 172 C2 A B 6 1.860 17.226 1.668 1.00 2.25 C ATOM 173 N3 A B 6 0.562 17.127 1.953 1.00 2.28 N ATOM 174 C4 A B 6 0.004 18.346 2.048 1.00 2.69 C ATOM 0 H5' A B 6 -4.460 16.363 -0.658 1.00 2.27 H new ATOM 0 H5'' A B 6 -2.927 17.204 -0.538 1.00 2.27 H new ATOM 0 H4' A B 6 -3.682 15.049 1.378 1.00 2.74 H new ATOM 0 H3' A B 6 -5.425 17.075 1.365 1.00 3.36 H new ATOM 0 H2' A B 6 -3.828 18.959 1.451 1.00 3.45 H new ATOM 0 HO2' A B 6 -3.696 19.585 3.681 1.00 4.23 H new ATOM 0 HO3' A B 6 -5.034 16.947 3.867 1.00 4.05 H new ATOM 0 H1' A B 6 -2.347 17.462 3.646 1.00 3.13 H new ATOM 0 H8 A B 6 -2.306 20.557 2.506 1.00 3.68 H new ATOM 0 H61 A B 6 3.751 20.535 1.193 1.00 3.76 H new ATOM 0 H62 A B 6 2.333 21.547 1.484 1.00 3.76 H new ATOM 0 H2 A B 6 2.386 16.287 1.574 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 17.188 -15.415 7.556 1.00 8.88 N ATOM 189 CA GLY A 510 16.929 -13.963 7.389 1.00 8.14 C ATOM 190 C GLY A 510 16.987 -13.536 5.939 1.00 7.17 C ATOM 191 O GLY A 510 17.048 -14.386 5.044 1.00 7.17 O ATOM 0 HA2 GLY A 510 15.948 -13.721 7.798 1.00 8.14 H new ATOM 0 HA3 GLY A 510 17.662 -13.396 7.963 1.00 8.14 H new ATOM 197 N ALA A 511 16.958 -12.221 5.709 1.00 6.63 N ATOM 198 CA ALA A 511 17.016 -11.651 4.362 1.00 5.95 C ATOM 199 C ALA A 511 15.929 -12.238 3.463 1.00 5.06 C ATOM 200 O ALA A 511 16.165 -12.534 2.293 1.00 5.04 O ATOM 201 CB ALA A 511 18.396 -11.859 3.748 1.00 6.64 C ATOM 0 H ALA A 511 16.894 -11.523 6.450 1.00 6.63 H new ATOM 0 HA ALA A 511 16.835 -10.579 4.445 1.00 5.95 H new ATOM 0 HB1 ALA A 511 18.418 -11.428 2.747 1.00 6.64 H new ATOM 0 HB2 ALA A 511 19.148 -11.372 4.369 1.00 6.64 H new ATOM 0 HB3 ALA A 511 18.611 -12.926 3.688 1.00 6.64 H new ATOM 207 N MET A 512 14.736 -12.401 4.024 1.00 4.71 N ATOM 208 CA MET A 512 13.618 -12.987 3.296 1.00 4.26 C ATOM 209 C MET A 512 13.133 -12.053 2.194 1.00 3.49 C ATOM 210 O MET A 512 13.105 -12.422 1.019 1.00 3.57 O ATOM 211 CB MET A 512 12.468 -13.303 4.254 1.00 4.93 C ATOM 212 CG MET A 512 11.255 -13.919 3.573 1.00 5.06 C ATOM 213 SD MET A 512 11.631 -15.479 2.753 1.00 5.85 S ATOM 214 CE MET A 512 12.173 -16.471 4.142 1.00 6.33 C ATOM 0 H MET A 512 14.518 -12.134 4.984 1.00 4.71 H new ATOM 0 HA MET A 512 13.964 -13.912 2.835 1.00 4.26 H new ATOM 0 HB2 MET A 512 12.826 -13.985 5.025 1.00 4.93 H new ATOM 0 HB3 MET A 512 12.164 -12.385 4.757 1.00 4.93 H new ATOM 0 HG2 MET A 512 10.472 -14.083 4.314 1.00 5.06 H new ATOM 0 HG3 MET A 512 10.859 -13.215 2.841 1.00 5.06 H new ATOM 0 HE1 MET A 512 12.135 -17.526 3.872 1.00 6.33 H new ATOM 0 HE2 MET A 512 13.195 -16.200 4.405 1.00 6.33 H new ATOM 0 HE3 MET A 512 11.519 -16.291 4.995 1.00 6.33 H new ATOM 224 N ALA A 513 12.759 -10.842 2.577 1.00 3.37 N ATOM 225 CA ALA A 513 12.242 -9.870 1.629 1.00 3.26 C ATOM 226 C ALA A 513 13.019 -8.564 1.720 1.00 2.63 C ATOM 227 O ALA A 513 12.458 -7.514 2.029 1.00 3.17 O ATOM 228 CB ALA A 513 10.761 -9.637 1.877 1.00 4.20 C ATOM 0 H ALA A 513 12.804 -10.509 3.540 1.00 3.37 H new ATOM 0 HA ALA A 513 12.367 -10.264 0.620 1.00 3.26 H new ATOM 0 HB1 ALA A 513 10.383 -8.907 1.161 1.00 4.20 H new ATOM 0 HB2 ALA A 513 10.220 -10.576 1.758 1.00 4.20 H new ATOM 0 HB3 ALA A 513 10.616 -9.261 2.890 1.00 4.20 H new ATOM 234 N GLN A 514 14.316 -8.647 1.441 1.00 1.97 N ATOM 235 CA GLN A 514 15.224 -7.503 1.532 1.00 1.53 C ATOM 236 C GLN A 514 15.316 -6.992 2.971 1.00 1.41 C ATOM 237 O GLN A 514 16.198 -7.408 3.723 1.00 1.94 O ATOM 238 CB GLN A 514 14.803 -6.379 0.577 1.00 1.48 C ATOM 239 CG GLN A 514 14.764 -6.809 -0.881 1.00 1.76 C ATOM 240 CD GLN A 514 14.376 -5.685 -1.825 1.00 2.06 C ATOM 241 OE1 GLN A 514 13.583 -4.740 -1.340 1.00 2.88 O flip ATOM 242 NE2 GLN A 514 14.790 -5.666 -2.983 1.00 2.17 N flip ATOM 0 H GLN A 514 14.771 -9.511 1.144 1.00 1.97 H new ATOM 0 HA GLN A 514 16.215 -7.841 1.228 1.00 1.53 H new ATOM 0 HB2 GLN A 514 13.817 -6.016 0.867 1.00 1.48 H new ATOM 0 HB3 GLN A 514 15.495 -5.544 0.683 1.00 1.48 H new ATOM 0 HG2 GLN A 514 15.743 -7.193 -1.166 1.00 1.76 H new ATOM 0 HG3 GLN A 514 14.055 -7.630 -0.992 1.00 1.76 H new ATOM 0 HE21 GLN A 514 15.399 -6.412 -3.319 1.00 2.17 H new ATOM 0 HE22 GLN A 514 14.524 -4.904 -3.607 1.00 2.17 H new ATOM 251 N ARG A 515 14.393 -6.119 3.357 1.00 1.22 N ATOM 252 CA ARG A 515 14.355 -5.573 4.711 1.00 1.19 C ATOM 253 C ARG A 515 12.912 -5.367 5.157 1.00 1.13 C ATOM 254 O ARG A 515 12.468 -4.234 5.340 1.00 1.84 O ATOM 255 CB ARG A 515 15.112 -4.238 4.789 1.00 1.39 C ATOM 256 CG ARG A 515 16.611 -4.351 4.559 1.00 1.59 C ATOM 257 CD ARG A 515 17.301 -5.137 5.665 1.00 1.75 C ATOM 258 NE ARG A 515 18.712 -5.368 5.364 1.00 2.36 N ATOM 259 CZ ARG A 515 19.525 -6.123 6.101 1.00 3.12 C ATOM 260 NH1 ARG A 515 19.087 -6.702 7.213 1.00 3.44 N ATOM 261 NH2 ARG A 515 20.783 -6.297 5.726 1.00 4.00 N ATOM 0 H ARG A 515 13.654 -5.771 2.746 1.00 1.22 H new ATOM 0 HA ARG A 515 14.841 -6.289 5.374 1.00 1.19 H new ATOM 0 HB2 ARG A 515 14.694 -3.554 4.051 1.00 1.39 H new ATOM 0 HB3 ARG A 515 14.940 -3.793 5.769 1.00 1.39 H new ATOM 0 HG2 ARG A 515 16.795 -4.836 3.601 1.00 1.59 H new ATOM 0 HG3 ARG A 515 17.045 -3.353 4.499 1.00 1.59 H new ATOM 0 HD2 ARG A 515 17.214 -4.594 6.606 1.00 1.75 H new ATOM 0 HD3 ARG A 515 16.796 -6.094 5.801 1.00 1.75 H new ATOM 0 HE ARG A 515 19.101 -4.921 4.534 1.00 2.36 H new ATOM 0 HH11 ARG A 515 18.120 -6.570 7.510 1.00 3.44 H new ATOM 0 HH12 ARG A 515 19.718 -7.278 7.770 1.00 3.44 H new ATOM 0 HH21 ARG A 515 21.127 -5.853 4.875 1.00 4.00 H new ATOM 0 HH22 ARG A 515 21.408 -6.875 6.289 1.00 4.00 H new ATOM 275 N LYS A 516 12.171 -6.459 5.308 1.00 0.82 N ATOM 276 CA LYS A 516 10.787 -6.376 5.761 1.00 0.79 C ATOM 277 C LYS A 516 10.616 -7.136 7.071 1.00 0.90 C ATOM 278 O LYS A 516 9.743 -7.996 7.197 1.00 1.11 O ATOM 279 CB LYS A 516 9.817 -6.932 4.706 1.00 0.97 C ATOM 280 CG LYS A 516 10.016 -6.364 3.308 1.00 1.06 C ATOM 281 CD LYS A 516 9.980 -4.845 3.289 1.00 1.07 C ATOM 282 CE LYS A 516 10.388 -4.312 1.927 1.00 1.24 C ATOM 283 NZ LYS A 516 10.587 -2.839 1.941 1.00 1.89 N ATOM 0 H LYS A 516 12.502 -7.406 5.125 1.00 0.82 H new ATOM 0 HA LYS A 516 10.551 -5.324 5.919 1.00 0.79 H new ATOM 0 HB2 LYS A 516 9.927 -8.016 4.664 1.00 0.97 H new ATOM 0 HB3 LYS A 516 8.795 -6.728 5.026 1.00 0.97 H new ATOM 0 HG2 LYS A 516 10.972 -6.707 2.912 1.00 1.06 H new ATOM 0 HG3 LYS A 516 9.240 -6.751 2.648 1.00 1.06 H new ATOM 0 HD2 LYS A 516 8.976 -4.498 3.535 1.00 1.07 H new ATOM 0 HD3 LYS A 516 10.650 -4.451 4.054 1.00 1.07 H new ATOM 0 HE2 LYS A 516 11.310 -4.799 1.609 1.00 1.24 H new ATOM 0 HE3 LYS A 516 9.623 -4.567 1.194 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 11.242 -2.570 1.179 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 9.673 -2.364 1.796 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 10.986 -2.551 2.858 1.00 1.89 H new ATOM 297 N GLY A 517 11.464 -6.828 8.035 1.00 0.96 N ATOM 298 CA GLY A 517 11.364 -7.452 9.336 1.00 1.13 C ATOM 299 C GLY A 517 10.822 -6.493 10.368 1.00 1.25 C ATOM 300 O GLY A 517 9.607 -6.324 10.491 1.00 2.04 O ATOM 0 H GLY A 517 12.224 -6.154 7.941 1.00 0.96 H new ATOM 0 HA2 GLY A 517 10.715 -8.326 9.273 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.347 -7.806 9.647 1.00 1.13 H new ATOM 304 N ALA A 518 11.719 -5.849 11.099 1.00 1.01 N ATOM 305 CA ALA A 518 11.330 -4.820 12.049 1.00 1.14 C ATOM 306 C ALA A 518 11.185 -3.492 11.320 1.00 1.08 C ATOM 307 O ALA A 518 12.044 -2.614 11.418 1.00 1.75 O ATOM 308 CB ALA A 518 12.349 -4.718 13.176 1.00 1.41 C ATOM 0 H ALA A 518 12.723 -6.022 11.052 1.00 1.01 H new ATOM 0 HA ALA A 518 10.372 -5.084 12.496 1.00 1.14 H new ATOM 0 HB1 ALA A 518 12.040 -3.942 13.877 1.00 1.41 H new ATOM 0 HB2 ALA A 518 12.412 -5.673 13.697 1.00 1.41 H new ATOM 0 HB3 ALA A 518 13.325 -4.465 12.762 1.00 1.41 H new ATOM 314 N GLY A 519 10.102 -3.367 10.573 1.00 0.67 N ATOM 315 CA GLY A 519 9.918 -2.224 9.709 1.00 0.60 C ATOM 316 C GLY A 519 9.706 -2.658 8.284 1.00 0.50 C ATOM 317 O GLY A 519 10.645 -3.118 7.631 1.00 0.51 O ATOM 0 H GLY A 519 9.340 -4.044 10.550 1.00 0.67 H new ATOM 0 HA2 GLY A 519 9.061 -1.641 10.047 1.00 0.60 H new ATOM 0 HA3 GLY A 519 10.790 -1.573 9.769 1.00 0.60 H new ATOM 321 N ARG A 520 8.483 -2.542 7.792 1.00 0.46 N ATOM 322 CA ARG A 520 8.208 -2.942 6.427 1.00 0.40 C ATOM 323 C ARG A 520 7.548 -1.808 5.672 1.00 0.34 C ATOM 324 O ARG A 520 6.613 -1.184 6.156 1.00 0.36 O ATOM 325 CB ARG A 520 7.283 -4.167 6.396 1.00 0.44 C ATOM 326 CG ARG A 520 7.743 -5.316 7.279 1.00 0.56 C ATOM 327 CD ARG A 520 6.757 -5.591 8.401 1.00 0.64 C ATOM 328 NE ARG A 520 6.468 -4.387 9.176 1.00 0.93 N ATOM 329 CZ ARG A 520 6.415 -4.346 10.506 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.611 -5.445 11.224 1.00 2.13 N ATOM 331 NH2 ARG A 520 6.171 -3.195 11.116 1.00 2.22 N ATOM 0 H ARG A 520 7.681 -2.181 8.308 1.00 0.46 H new ATOM 0 HA ARG A 520 9.157 -3.196 5.954 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.284 -3.862 6.707 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.203 -4.522 5.369 1.00 0.44 H new ATOM 0 HG2 ARG A 520 7.865 -6.214 6.673 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.720 -5.082 7.702 1.00 0.56 H new ATOM 0 HD2 ARG A 520 5.831 -5.985 7.983 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.161 -6.359 9.060 1.00 0.64 H new ATOM 0 HE ARG A 520 6.296 -3.521 8.665 1.00 0.93 H new ATOM 0 HH11 ARG A 520 6.804 -6.331 10.758 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.568 -5.403 12.242 1.00 2.13 H new ATOM 0 HH21 ARG A 520 6.025 -2.348 10.567 1.00 2.22 H new ATOM 0 HH22 ARG A 520 6.129 -3.156 12.134 1.00 2.22 H new ATOM 345 N VAL A 521 8.048 -1.545 4.487 1.00 0.29 N ATOM 346 CA VAL A 521 7.370 -0.660 3.568 1.00 0.24 C ATOM 347 C VAL A 521 6.979 -1.418 2.313 1.00 0.21 C ATOM 348 O VAL A 521 7.825 -2.046 1.665 1.00 0.23 O ATOM 349 CB VAL A 521 8.206 0.582 3.208 1.00 0.26 C ATOM 350 CG1 VAL A 521 7.443 1.486 2.250 1.00 0.27 C ATOM 351 CG2 VAL A 521 8.605 1.343 4.459 1.00 0.32 C ATOM 0 H VAL A 521 8.924 -1.932 4.136 1.00 0.29 H new ATOM 0 HA VAL A 521 6.474 -0.297 4.072 1.00 0.24 H new ATOM 0 HB VAL A 521 9.115 0.246 2.709 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.052 2.357 2.009 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.216 0.938 1.336 1.00 0.27 H new ATOM 0 HG13 VAL A 521 6.514 1.811 2.718 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.195 2.216 4.181 1.00 0.32 H new ATOM 0 HG22 VAL A 521 7.709 1.664 4.991 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.198 0.696 5.105 1.00 0.32 H new ATOM 361 N VAL A 522 5.707 -1.384 1.993 1.00 0.20 N ATOM 362 CA VAL A 522 5.204 -1.956 0.763 1.00 0.18 C ATOM 363 C VAL A 522 4.558 -0.826 -0.018 1.00 0.18 C ATOM 364 O VAL A 522 3.676 -0.150 0.500 1.00 0.19 O ATOM 365 CB VAL A 522 4.176 -3.072 1.044 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.770 -3.784 -0.235 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.727 -4.060 2.058 1.00 0.22 C ATOM 0 H VAL A 522 4.989 -0.958 2.579 1.00 0.20 H new ATOM 0 HA VAL A 522 6.017 -2.411 0.197 1.00 0.18 H new ATOM 0 HB VAL A 522 3.283 -2.608 1.462 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.045 -4.564 -0.003 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.323 -3.067 -0.924 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.650 -4.232 -0.697 1.00 0.21 H new ATOM 0 HG21 VAL A 522 3.989 -4.840 2.244 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.640 -4.510 1.668 1.00 0.22 H new ATOM 0 HG23 VAL A 522 4.948 -3.540 2.990 1.00 0.22 H new ATOM 377 N HIS A 523 4.996 -0.578 -1.236 1.00 0.18 N ATOM 378 CA HIS A 523 4.579 0.616 -1.941 1.00 0.18 C ATOM 379 C HIS A 523 3.540 0.274 -2.993 1.00 0.17 C ATOM 380 O HIS A 523 3.703 -0.668 -3.768 1.00 0.18 O ATOM 381 CB HIS A 523 5.798 1.275 -2.597 1.00 0.20 C ATOM 382 CG HIS A 523 5.507 2.570 -3.293 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.704 3.852 -2.903 1.00 0.39 N flip ATOM 384 CD2 HIS A 523 4.970 2.638 -4.557 1.00 0.30 C flip ATOM 385 CE1 HIS A 523 5.291 4.663 -3.930 1.00 0.44 C flip ATOM 386 NE2 HIS A 523 4.851 3.900 -4.913 1.00 0.37 N flip ATOM 0 H HIS A 523 5.635 -1.181 -1.754 1.00 0.18 H new ATOM 0 HA HIS A 523 4.132 1.311 -1.230 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.555 1.450 -1.833 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.227 0.579 -3.317 1.00 0.20 H new ATOM 0 HD1 HIS A 523 6.089 4.159 -2.010 1.00 0.39 H new ATOM 0 HD2 HIS A 523 4.690 1.789 -5.163 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.321 5.743 -3.933 1.00 0.44 H new ATOM 0 HE2 HIS A 523 4.480 4.233 -5.803 1.00 0.37 H new ATOM 395 N ILE A 524 2.483 1.059 -3.016 1.00 0.16 N ATOM 396 CA ILE A 524 1.397 0.859 -3.948 1.00 0.16 C ATOM 397 C ILE A 524 1.390 1.997 -4.955 1.00 0.17 C ATOM 398 O ILE A 524 1.592 3.155 -4.593 1.00 0.19 O ATOM 399 CB ILE A 524 0.049 0.785 -3.201 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.140 -0.284 -2.105 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.098 0.494 -4.164 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.152 -0.529 -1.361 1.00 0.18 C ATOM 0 H ILE A 524 2.354 1.853 -2.389 1.00 0.16 H new ATOM 0 HA ILE A 524 1.540 -0.086 -4.473 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.159 1.751 -2.740 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.469 -1.221 -2.555 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.907 0.012 -1.389 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.035 0.447 -3.610 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.157 1.286 -4.910 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.923 -0.460 -4.661 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.996 -1.299 -0.605 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.474 0.393 -0.878 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.919 -0.858 -2.062 1.00 0.18 H new ATOM 414 N CYS A 525 1.202 1.671 -6.215 1.00 0.17 N ATOM 415 CA CYS A 525 1.283 2.665 -7.266 1.00 0.18 C ATOM 416 C CYS A 525 0.113 2.533 -8.224 1.00 0.15 C ATOM 417 O CYS A 525 -0.549 1.493 -8.263 1.00 0.16 O ATOM 418 CB CYS A 525 2.606 2.506 -8.024 1.00 0.29 C ATOM 419 SG CYS A 525 2.900 3.758 -9.296 1.00 1.17 S ATOM 0 H CYS A 525 0.992 0.726 -6.538 1.00 0.17 H new ATOM 0 HA CYS A 525 1.242 3.656 -6.814 1.00 0.18 H new ATOM 0 HB2 CYS A 525 3.426 2.536 -7.307 1.00 0.29 H new ATOM 0 HB3 CYS A 525 2.626 1.521 -8.491 1.00 0.29 H new ATOM 0 HG CYS A 525 4.010 3.493 -9.918 1.00 1.17 H new ATOM 425 N ASN A 526 -0.134 3.618 -8.960 1.00 0.15 N ATOM 426 CA ASN A 526 -1.125 3.667 -10.043 1.00 0.16 C ATOM 427 C ASN A 526 -2.497 4.014 -9.498 1.00 0.15 C ATOM 428 O ASN A 526 -3.520 3.643 -10.071 1.00 0.18 O ATOM 429 CB ASN A 526 -1.188 2.356 -10.849 1.00 0.19 C ATOM 430 CG ASN A 526 0.123 2.003 -11.524 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.949 2.871 -11.808 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.317 0.722 -11.799 1.00 0.26 N ATOM 0 H ASN A 526 0.355 4.502 -8.820 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.801 4.450 -10.728 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.477 1.542 -10.184 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.967 2.440 -11.606 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.175 0.424 -12.262 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.392 0.033 -11.547 1.00 0.26 H new ATOM 439 N LEU A 527 -2.512 4.758 -8.402 1.00 0.15 N ATOM 440 CA LEU A 527 -3.759 5.195 -7.800 1.00 0.17 C ATOM 441 C LEU A 527 -4.229 6.473 -8.486 1.00 0.22 C ATOM 442 O LEU A 527 -3.479 7.447 -8.565 1.00 0.25 O ATOM 443 CB LEU A 527 -3.573 5.434 -6.297 1.00 0.15 C ATOM 444 CG LEU A 527 -3.372 4.176 -5.447 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.952 4.547 -4.033 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.649 3.357 -5.410 1.00 0.21 C ATOM 0 H LEU A 527 -1.674 5.071 -7.913 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.512 4.418 -7.930 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.713 6.088 -6.155 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.445 5.969 -5.922 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.581 3.579 -5.900 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.814 3.640 -3.445 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.016 5.104 -4.066 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.725 5.163 -3.574 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.492 2.466 -4.802 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.452 3.954 -4.978 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.922 3.062 -6.423 1.00 0.21 H new ATOM 458 N PRO A 528 -5.463 6.491 -9.012 1.00 0.26 N ATOM 459 CA PRO A 528 -5.986 7.662 -9.712 1.00 0.33 C ATOM 460 C PRO A 528 -6.226 8.828 -8.762 1.00 0.34 C ATOM 461 O PRO A 528 -6.799 8.655 -7.683 1.00 0.32 O ATOM 462 CB PRO A 528 -7.322 7.180 -10.301 1.00 0.38 C ATOM 463 CG PRO A 528 -7.336 5.696 -10.131 1.00 0.37 C ATOM 464 CD PRO A 528 -6.431 5.388 -8.976 1.00 0.29 C ATOM 0 HA PRO A 528 -5.287 8.027 -10.464 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -8.165 7.640 -9.784 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -7.406 7.453 -11.353 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.347 5.338 -9.937 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.990 5.199 -11.037 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.976 5.360 -8.032 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.944 4.420 -9.092 1.00 0.29 H new ATOM 472 N GLU A 529 -5.796 10.013 -9.172 1.00 0.41 N ATOM 473 CA GLU A 529 -5.988 11.216 -8.375 1.00 0.46 C ATOM 474 C GLU A 529 -7.475 11.528 -8.278 1.00 0.47 C ATOM 475 O GLU A 529 -8.197 11.433 -9.273 1.00 0.53 O ATOM 476 CB GLU A 529 -5.231 12.384 -9.005 1.00 0.57 C ATOM 477 CG GLU A 529 -5.325 13.679 -8.212 1.00 0.66 C ATOM 478 CD GLU A 529 -4.872 14.884 -9.010 1.00 1.12 C ATOM 479 OE1 GLU A 529 -5.696 15.440 -9.771 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.698 15.289 -8.878 1.00 1.41 O ATOM 0 H GLU A 529 -5.310 10.167 -10.055 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.596 11.056 -7.370 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.181 12.109 -9.110 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.618 12.556 -10.009 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.355 13.829 -7.888 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.717 13.594 -7.311 1.00 0.66 H new ATOM 487 N GLY A 530 -7.939 11.884 -7.090 1.00 0.46 N ATOM 488 CA GLY A 530 -9.357 12.099 -6.902 1.00 0.48 C ATOM 489 C GLY A 530 -10.072 10.812 -6.562 1.00 0.43 C ATOM 490 O GLY A 530 -11.298 10.779 -6.460 1.00 0.46 O ATOM 0 H GLY A 530 -7.364 12.027 -6.259 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.513 12.825 -6.104 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.785 12.525 -7.809 1.00 0.48 H new ATOM 494 N SER A 531 -9.302 9.743 -6.403 1.00 0.37 N ATOM 495 CA SER A 531 -9.849 8.423 -6.139 1.00 0.35 C ATOM 496 C SER A 531 -8.867 7.600 -5.307 1.00 0.28 C ATOM 497 O SER A 531 -9.005 6.383 -5.174 1.00 0.30 O ATOM 498 CB SER A 531 -10.155 7.714 -7.454 1.00 0.40 C ATOM 499 OG SER A 531 -11.119 8.435 -8.204 1.00 1.08 O ATOM 0 H SER A 531 -8.284 9.769 -6.454 1.00 0.37 H new ATOM 0 HA SER A 531 -10.775 8.531 -5.574 1.00 0.35 H new ATOM 0 HB2 SER A 531 -9.240 7.608 -8.036 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.523 6.708 -7.253 1.00 0.40 H new ATOM 0 HG SER A 531 -10.691 8.830 -8.992 1.00 1.08 H new ATOM 505 N CYS A 532 -7.884 8.283 -4.739 1.00 0.24 N ATOM 506 CA CYS A 532 -6.901 7.650 -3.877 1.00 0.20 C ATOM 507 C CYS A 532 -7.405 7.683 -2.448 1.00 0.18 C ATOM 508 O CYS A 532 -7.067 8.591 -1.686 1.00 0.21 O ATOM 509 CB CYS A 532 -5.559 8.386 -3.953 1.00 0.21 C ATOM 510 SG CYS A 532 -4.802 8.414 -5.590 1.00 0.25 S ATOM 0 H CYS A 532 -7.747 9.286 -4.863 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.755 6.621 -4.206 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.705 9.413 -3.618 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.864 7.919 -3.255 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.690 8.097 -6.484 1.00 0.25 H new ATOM 516 N THR A 533 -8.227 6.720 -2.076 1.00 0.17 N ATOM 517 CA THR A 533 -8.766 6.712 -0.736 1.00 0.18 C ATOM 518 C THR A 533 -7.970 5.743 0.118 1.00 0.17 C ATOM 519 O THR A 533 -7.492 4.723 -0.369 1.00 0.18 O ATOM 520 CB THR A 533 -10.245 6.284 -0.747 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.351 4.951 -1.261 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.082 7.231 -1.596 1.00 0.28 C ATOM 0 H THR A 533 -8.529 5.949 -2.671 1.00 0.17 H new ATOM 0 HA THR A 533 -8.697 7.719 -0.325 1.00 0.18 H new ATOM 0 HB THR A 533 -10.623 6.318 0.275 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.278 4.775 -1.524 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.122 6.905 -1.586 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.014 8.240 -1.190 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.710 7.226 -2.621 1.00 0.28 H new ATOM 530 N GLU A 534 -7.861 6.052 1.396 1.00 0.19 N ATOM 531 CA GLU A 534 -7.120 5.220 2.326 1.00 0.20 C ATOM 532 C GLU A 534 -7.838 3.906 2.505 1.00 0.19 C ATOM 533 O GLU A 534 -7.225 2.853 2.666 1.00 0.20 O ATOM 534 CB GLU A 534 -6.940 5.945 3.650 1.00 0.23 C ATOM 535 CG GLU A 534 -6.385 7.357 3.479 1.00 0.27 C ATOM 536 CD GLU A 534 -6.344 8.141 4.771 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.399 8.271 5.428 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.251 8.613 5.146 1.00 1.64 O ATOM 0 H GLU A 534 -8.280 6.881 1.817 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.127 5.015 1.927 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -7.899 5.996 4.165 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.267 5.369 4.286 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.378 7.297 3.066 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -6.996 7.895 2.754 1.00 0.27 H new ATOM 545 N ASN A 535 -9.154 3.998 2.461 1.00 0.20 N ATOM 546 CA ASN A 535 -10.008 2.856 2.683 1.00 0.22 C ATOM 547 C ASN A 535 -9.767 1.781 1.629 1.00 0.21 C ATOM 548 O ASN A 535 -9.528 0.644 1.983 1.00 0.21 O ATOM 549 CB ASN A 535 -11.472 3.300 2.681 1.00 0.27 C ATOM 550 CG ASN A 535 -12.425 2.187 3.067 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.670 1.950 4.249 1.00 1.82 O ATOM 552 ND2 ASN A 535 -12.990 1.521 2.076 1.00 1.38 N ATOM 0 H ASN A 535 -9.656 4.865 2.271 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.770 2.424 3.655 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.595 4.133 3.373 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.734 3.668 1.689 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.658 0.777 2.277 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.758 1.751 1.110 1.00 1.38 H new ATOM 559 N ASP A 536 -9.746 2.153 0.345 1.00 0.21 N ATOM 560 CA ASP A 536 -9.604 1.160 -0.733 1.00 0.22 C ATOM 561 C ASP A 536 -8.193 0.575 -0.766 1.00 0.17 C ATOM 562 O ASP A 536 -8.006 -0.624 -0.966 1.00 0.16 O ATOM 563 CB ASP A 536 -9.947 1.765 -2.099 1.00 0.27 C ATOM 564 CG ASP A 536 -11.442 1.899 -2.329 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.097 0.877 -2.627 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.969 3.028 -2.235 1.00 0.61 O ATOM 0 H ASP A 536 -9.824 3.119 0.026 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.310 0.357 -0.522 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.482 2.748 -2.182 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.518 1.142 -2.884 1.00 0.27 H new ATOM 571 N VAL A 537 -7.213 1.446 -0.567 1.00 0.15 N ATOM 572 CA VAL A 537 -5.805 1.043 -0.550 1.00 0.13 C ATOM 573 C VAL A 537 -5.577 0.007 0.558 1.00 0.12 C ATOM 574 O VAL A 537 -4.995 -1.069 0.346 1.00 0.13 O ATOM 575 CB VAL A 537 -4.883 2.278 -0.351 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.412 1.906 -0.397 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.174 3.316 -1.417 1.00 0.13 C ATOM 0 H VAL A 537 -7.364 2.443 -0.414 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.554 0.592 -1.510 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.094 2.686 0.638 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.806 2.800 -0.253 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.193 1.189 0.394 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.179 1.461 -1.365 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.524 4.179 -1.272 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.992 2.887 -2.402 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.215 3.630 -1.345 1.00 0.13 H new ATOM 587 N ILE A 538 -6.084 0.321 1.735 1.00 0.12 N ATOM 588 CA ILE A 538 -6.042 -0.597 2.854 1.00 0.12 C ATOM 589 C ILE A 538 -6.954 -1.811 2.626 1.00 0.12 C ATOM 590 O ILE A 538 -6.657 -2.905 3.099 1.00 0.12 O ATOM 591 CB ILE A 538 -6.375 0.106 4.179 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.278 1.110 4.521 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.522 -0.911 5.294 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.470 1.775 5.861 1.00 0.23 C ATOM 0 H ILE A 538 -6.533 1.213 1.940 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.018 -0.964 2.926 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.321 0.636 4.069 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.314 0.601 4.511 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.242 1.875 3.746 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.758 -0.397 6.226 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.325 -1.606 5.049 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.589 -1.462 5.409 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.655 2.476 6.040 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.418 2.312 5.868 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.476 1.018 6.645 1.00 0.23 H new ATOM 606 N ASN A 539 -8.072 -1.618 1.919 1.00 0.12 N ATOM 607 CA ASN A 539 -8.960 -2.738 1.580 1.00 0.14 C ATOM 608 C ASN A 539 -8.195 -3.793 0.810 1.00 0.15 C ATOM 609 O ASN A 539 -8.582 -4.955 0.799 1.00 0.17 O ATOM 610 CB ASN A 539 -10.168 -2.336 0.713 1.00 0.17 C ATOM 611 CG ASN A 539 -11.208 -1.477 1.405 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.907 -0.705 0.752 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.326 -1.595 2.715 1.00 0.21 N ATOM 0 H ASN A 539 -8.382 -0.710 1.573 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.330 -3.109 2.536 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.803 -1.800 -0.163 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.653 -3.243 0.352 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.015 -1.035 3.218 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.729 -2.246 3.224 1.00 0.21 H new ATOM 620 N LEU A 540 -7.149 -3.379 0.113 1.00 0.15 N ATOM 621 CA LEU A 540 -6.283 -4.328 -0.555 1.00 0.17 C ATOM 622 C LEU A 540 -5.379 -5.008 0.464 1.00 0.16 C ATOM 623 O LEU A 540 -5.193 -6.223 0.433 1.00 0.19 O ATOM 624 CB LEU A 540 -5.419 -3.601 -1.580 1.00 0.19 C ATOM 625 CG LEU A 540 -6.181 -2.887 -2.690 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.205 -2.209 -3.631 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.077 -3.857 -3.444 1.00 0.24 C ATOM 0 H LEU A 540 -6.883 -2.401 -0.003 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.897 -5.077 -1.056 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.803 -2.869 -1.057 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.740 -4.323 -2.035 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.821 -2.127 -2.242 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.756 -1.700 -4.422 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.611 -1.482 -3.077 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.545 -2.957 -4.071 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.610 -3.323 -4.231 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.468 -4.645 -3.888 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.796 -4.299 -2.754 1.00 0.24 H new ATOM 639 N GLY A 541 -4.844 -4.208 1.386 1.00 0.14 N ATOM 640 CA GLY A 541 -3.946 -4.736 2.405 1.00 0.16 C ATOM 641 C GLY A 541 -4.582 -5.706 3.396 1.00 0.15 C ATOM 642 O GLY A 541 -4.096 -6.818 3.579 1.00 0.19 O ATOM 0 H GLY A 541 -5.016 -3.204 1.446 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.117 -5.241 1.909 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.523 -3.900 2.961 1.00 0.16 H new ATOM 646 N LEU A 542 -5.690 -5.305 3.995 1.00 0.13 N ATOM 647 CA LEU A 542 -6.257 -6.025 5.143 1.00 0.14 C ATOM 648 C LEU A 542 -6.575 -7.507 4.885 1.00 0.16 C ATOM 649 O LEU A 542 -6.248 -8.347 5.723 1.00 0.20 O ATOM 650 CB LEU A 542 -7.498 -5.308 5.659 1.00 0.13 C ATOM 651 CG LEU A 542 -7.223 -4.039 6.460 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.514 -3.283 6.711 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.543 -4.384 7.776 1.00 0.16 C ATOM 0 H LEU A 542 -6.223 -4.483 3.711 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.471 -6.021 5.898 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.132 -5.053 4.809 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.065 -5.998 6.284 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.556 -3.399 5.882 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.302 -2.380 7.284 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.967 -3.010 5.758 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.202 -3.915 7.272 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.352 -3.470 8.338 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.190 -5.040 8.359 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.599 -4.890 7.576 1.00 0.16 H new ATOM 665 N PRO A 543 -7.230 -7.869 3.763 1.00 0.17 N ATOM 666 CA PRO A 543 -7.619 -9.263 3.502 1.00 0.19 C ATOM 667 C PRO A 543 -6.436 -10.231 3.472 1.00 0.20 C ATOM 668 O PRO A 543 -6.600 -11.418 3.759 1.00 0.23 O ATOM 669 CB PRO A 543 -8.297 -9.196 2.131 1.00 0.22 C ATOM 670 CG PRO A 543 -8.755 -7.787 2.021 1.00 0.21 C ATOM 671 CD PRO A 543 -7.674 -6.983 2.678 1.00 0.17 C ATOM 0 HA PRO A 543 -8.259 -9.649 4.295 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.603 -9.453 1.330 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.132 -9.893 2.065 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.889 -7.494 0.980 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.714 -7.642 2.518 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.864 -6.752 1.987 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.050 -6.033 3.058 1.00 0.17 H new ATOM 679 N PHE A 544 -5.247 -9.740 3.135 1.00 0.20 N ATOM 680 CA PHE A 544 -4.071 -10.596 3.107 1.00 0.22 C ATOM 681 C PHE A 544 -3.263 -10.452 4.397 1.00 0.22 C ATOM 682 O PHE A 544 -2.418 -11.292 4.705 1.00 0.28 O ATOM 683 CB PHE A 544 -3.181 -10.250 1.911 1.00 0.23 C ATOM 684 CG PHE A 544 -3.871 -10.308 0.578 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.112 -11.518 -0.052 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.269 -9.140 -0.046 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.743 -11.559 -1.282 1.00 0.33 C ATOM 688 CE2 PHE A 544 -4.899 -9.174 -1.273 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.138 -10.386 -1.892 1.00 0.33 C ATOM 0 H PHE A 544 -5.076 -8.767 2.881 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.413 -11.627 3.015 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.778 -9.247 2.053 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.333 -10.935 1.896 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.804 -12.438 0.422 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.084 -8.190 0.433 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.926 -12.508 -1.764 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.205 -8.254 -1.749 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.633 -10.415 -2.851 1.00 0.33 H new ATOM 699 N GLY A 545 -3.528 -9.391 5.149 1.00 0.19 N ATOM 700 CA GLY A 545 -2.835 -9.181 6.408 1.00 0.21 C ATOM 701 C GLY A 545 -3.169 -7.841 7.031 1.00 0.21 C ATOM 702 O GLY A 545 -3.651 -6.942 6.350 1.00 0.44 O ATOM 0 H GLY A 545 -4.210 -8.671 4.910 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -3.099 -9.978 7.103 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.759 -9.245 6.243 1.00 0.21 H new ATOM 706 N LYS A 546 -2.912 -7.703 8.325 1.00 0.27 N ATOM 707 CA LYS A 546 -3.250 -6.478 9.038 1.00 0.25 C ATOM 708 C LYS A 546 -2.392 -5.308 8.568 1.00 0.20 C ATOM 709 O LYS A 546 -1.171 -5.427 8.431 1.00 0.24 O ATOM 710 CB LYS A 546 -3.095 -6.656 10.552 1.00 0.35 C ATOM 711 CG LYS A 546 -3.469 -5.405 11.335 1.00 0.41 C ATOM 712 CD LYS A 546 -3.272 -5.577 12.831 1.00 0.92 C ATOM 713 CE LYS A 546 -3.645 -4.303 13.577 1.00 1.60 C ATOM 714 NZ LYS A 546 -3.489 -4.440 15.049 1.00 2.07 N ATOM 0 H LYS A 546 -2.472 -8.421 8.901 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.294 -6.257 8.816 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.720 -7.486 10.881 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.063 -6.925 10.778 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.865 -4.567 10.986 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.510 -5.153 11.135 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -3.883 -6.406 13.190 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -2.233 -5.834 13.038 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -3.021 -3.482 13.223 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -4.677 -4.040 13.347 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -3.755 -3.547 15.511 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -4.104 -5.205 15.394 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -2.499 -4.664 15.274 1.00 2.07 H new ATOM 728 N VAL A 547 -3.049 -4.185 8.320 1.00 0.16 N ATOM 729 CA VAL A 547 -2.377 -2.951 7.960 1.00 0.15 C ATOM 730 C VAL A 547 -2.000 -2.169 9.211 1.00 0.18 C ATOM 731 O VAL A 547 -2.869 -1.749 9.978 1.00 0.20 O ATOM 732 CB VAL A 547 -3.286 -2.091 7.060 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.675 -0.727 6.786 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.567 -2.820 5.757 1.00 0.14 C ATOM 0 H VAL A 547 -4.065 -4.106 8.363 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.468 -3.200 7.412 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.225 -1.928 7.589 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.345 -0.150 6.148 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.526 -0.199 7.728 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.715 -0.852 6.285 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.210 -2.205 5.127 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.628 -3.013 5.238 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.065 -3.766 5.969 1.00 0.14 H new ATOM 744 N THR A 548 -0.707 -1.996 9.427 1.00 0.20 N ATOM 745 CA THR A 548 -0.234 -1.253 10.578 1.00 0.23 C ATOM 746 C THR A 548 -0.049 0.227 10.255 1.00 0.23 C ATOM 747 O THR A 548 -0.328 1.083 11.092 1.00 0.27 O ATOM 748 CB THR A 548 1.086 -1.844 11.100 1.00 0.27 C ATOM 749 OG1 THR A 548 1.999 -2.010 10.012 1.00 0.26 O ATOM 750 CG2 THR A 548 0.852 -3.185 11.778 1.00 0.31 C ATOM 0 H THR A 548 0.030 -2.359 8.822 1.00 0.20 H new ATOM 0 HA THR A 548 -0.995 -1.338 11.354 1.00 0.23 H new ATOM 0 HB THR A 548 1.505 -1.156 11.834 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.542 -1.200 9.914 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.801 -3.581 12.138 1.00 0.31 H new ATOM 0 HG22 THR A 548 0.171 -3.054 12.619 1.00 0.31 H new ATOM 0 HG23 THR A 548 0.415 -3.883 11.063 1.00 0.31 H new ATOM 758 N ASN A 549 0.382 0.517 9.033 1.00 0.20 N ATOM 759 CA ASN A 549 0.568 1.899 8.586 1.00 0.21 C ATOM 760 C ASN A 549 0.198 2.056 7.121 1.00 0.18 C ATOM 761 O ASN A 549 0.283 1.108 6.343 1.00 0.20 O ATOM 762 CB ASN A 549 2.018 2.373 8.775 1.00 0.26 C ATOM 763 CG ASN A 549 2.392 2.678 10.207 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.452 3.200 10.971 1.00 1.26 O flip ATOM 765 ND2 ASN A 549 3.533 2.473 10.616 1.00 0.81 N flip ATOM 0 H ASN A 549 0.611 -0.186 8.330 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.091 2.511 9.203 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.691 1.606 8.392 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.177 3.267 8.172 1.00 0.26 H new ATOM 0 HD21 ASN A 549 4.232 2.067 9.994 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.780 2.708 11.577 1.00 0.81 H new ATOM 772 N TYR A 550 -0.209 3.263 6.759 1.00 0.17 N ATOM 773 CA TYR A 550 -0.534 3.587 5.382 1.00 0.17 C ATOM 774 C TYR A 550 -0.279 5.066 5.125 1.00 0.17 C ATOM 775 O TYR A 550 -0.392 5.885 6.036 1.00 0.17 O ATOM 776 CB TYR A 550 -1.998 3.240 5.089 1.00 0.17 C ATOM 777 CG TYR A 550 -2.999 3.930 5.998 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.927 4.817 5.479 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.023 3.686 7.369 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.852 5.439 6.298 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.942 4.309 8.190 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.856 5.182 7.647 1.00 0.25 C ATOM 783 OH TYR A 550 -5.785 5.800 8.456 1.00 0.31 O ATOM 0 H TYR A 550 -0.322 4.041 7.409 1.00 0.17 H new ATOM 0 HA TYR A 550 0.101 2.999 4.719 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.222 3.504 4.055 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.128 2.161 5.178 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.929 5.026 4.419 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.310 2.997 7.798 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.571 6.126 5.877 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.943 4.112 9.252 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.818 5.344 9.323 1.00 0.31 H new ATOM 793 N ILE A 551 0.072 5.399 3.890 1.00 0.18 N ATOM 794 CA ILE A 551 0.369 6.769 3.499 1.00 0.16 C ATOM 795 C ILE A 551 -0.082 6.954 2.068 1.00 0.17 C ATOM 796 O ILE A 551 0.344 6.203 1.196 1.00 0.20 O ATOM 797 CB ILE A 551 1.881 7.072 3.547 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.481 6.696 4.906 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.141 8.540 3.241 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.984 6.852 4.972 1.00 0.20 C ATOM 0 H ILE A 551 0.159 4.724 3.130 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.143 7.436 4.192 1.00 0.16 H new ATOM 0 HB ILE A 551 2.367 6.463 2.785 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.026 7.317 5.678 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.222 5.662 5.134 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.213 8.735 3.279 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.764 8.776 2.246 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.632 9.161 3.978 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.336 6.568 5.964 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.450 6.211 4.224 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.251 7.891 4.776 1.00 0.20 H new ATOM 812 N LEU A 552 -0.929 7.915 1.795 1.00 0.16 N ATOM 813 CA LEU A 552 -1.376 8.104 0.432 1.00 0.19 C ATOM 814 C LEU A 552 -0.765 9.354 -0.156 1.00 0.19 C ATOM 815 O LEU A 552 -0.920 10.436 0.405 1.00 0.26 O ATOM 816 CB LEU A 552 -2.888 8.195 0.356 1.00 0.27 C ATOM 817 CG LEU A 552 -3.654 6.974 0.833 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.103 7.135 0.463 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.089 5.695 0.243 1.00 0.42 C ATOM 0 H LEU A 552 -1.317 8.566 2.478 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.051 7.237 -0.144 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.210 9.054 0.944 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.168 8.394 -0.678 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.555 6.896 1.916 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.664 6.263 0.801 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.503 8.030 0.939 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.194 7.228 -0.619 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.662 4.842 0.607 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.152 5.737 -0.844 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.047 5.586 0.542 1.00 0.42 H new ATOM 831 N MET A 553 -0.127 9.234 -1.305 1.00 0.18 N ATOM 832 CA MET A 553 0.422 10.409 -1.951 1.00 0.26 C ATOM 833 C MET A 553 -0.411 10.706 -3.180 1.00 0.26 C ATOM 834 O MET A 553 -0.063 10.330 -4.301 1.00 0.25 O ATOM 835 CB MET A 553 1.885 10.197 -2.351 1.00 0.35 C ATOM 836 CG MET A 553 2.813 9.893 -1.187 1.00 0.56 C ATOM 837 SD MET A 553 4.551 9.870 -1.676 1.00 1.03 S ATOM 838 CE MET A 553 4.564 8.527 -2.858 1.00 0.80 C ATOM 0 H MET A 553 0.022 8.355 -1.801 1.00 0.18 H new ATOM 0 HA MET A 553 0.393 11.246 -1.254 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.939 9.377 -3.067 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.243 11.091 -2.862 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.668 10.640 -0.407 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.547 8.927 -0.757 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.403 7.864 -2.646 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.631 7.968 -2.784 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.666 8.930 -3.866 1.00 0.80 H new ATOM 848 N LYS A 554 -1.527 11.376 -2.941 1.00 0.32 N ATOM 849 CA LYS A 554 -2.434 11.794 -4.002 1.00 0.37 C ATOM 850 C LYS A 554 -1.730 12.585 -5.100 1.00 0.38 C ATOM 851 O LYS A 554 -2.142 12.539 -6.258 1.00 0.40 O ATOM 852 CB LYS A 554 -3.579 12.636 -3.425 1.00 0.47 C ATOM 853 CG LYS A 554 -3.925 12.353 -1.962 1.00 0.43 C ATOM 854 CD LYS A 554 -4.280 10.896 -1.700 1.00 0.37 C ATOM 855 CE LYS A 554 -4.944 10.718 -0.340 1.00 0.39 C ATOM 856 NZ LYS A 554 -4.211 11.415 0.752 1.00 1.03 N ATOM 0 H LYS A 554 -1.831 11.646 -2.006 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.828 10.882 -4.451 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.318 13.690 -3.522 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.470 12.471 -4.031 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.078 12.632 -1.335 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.763 12.983 -1.665 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -4.949 10.537 -2.482 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.378 10.286 -1.748 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.965 11.097 -0.386 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -5.009 9.655 -0.108 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -4.567 11.088 1.673 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -3.195 11.203 0.679 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -4.358 12.441 0.669 1.00 1.03 H new ATOM 870 N SER A 555 -0.671 13.297 -4.749 1.00 0.40 N ATOM 871 CA SER A 555 0.002 14.165 -5.695 1.00 0.44 C ATOM 872 C SER A 555 0.743 13.364 -6.766 1.00 0.38 C ATOM 873 O SER A 555 0.697 13.704 -7.950 1.00 0.38 O ATOM 874 CB SER A 555 0.962 15.087 -4.944 1.00 0.51 C ATOM 875 OG SER A 555 1.891 14.339 -4.174 1.00 0.50 O ATOM 0 H SER A 555 -0.261 13.289 -3.815 1.00 0.40 H new ATOM 0 HA SER A 555 -0.749 14.766 -6.208 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.497 15.716 -5.655 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.397 15.752 -4.292 1.00 0.51 H new ATOM 0 HG SER A 555 2.495 14.952 -3.704 1.00 0.50 H new ATOM 881 N THR A 556 1.414 12.295 -6.351 1.00 0.34 N ATOM 882 CA THR A 556 2.236 11.508 -7.258 1.00 0.32 C ATOM 883 C THR A 556 1.511 10.264 -7.760 1.00 0.27 C ATOM 884 O THR A 556 2.095 9.449 -8.477 1.00 0.28 O ATOM 885 CB THR A 556 3.542 11.069 -6.567 1.00 0.36 C ATOM 886 OG1 THR A 556 3.240 10.376 -5.348 1.00 0.34 O ATOM 887 CG2 THR A 556 4.430 12.262 -6.256 1.00 0.45 C ATOM 0 H THR A 556 1.403 11.954 -5.390 1.00 0.34 H new ATOM 0 HA THR A 556 2.458 12.151 -8.110 1.00 0.32 H new ATOM 0 HB THR A 556 4.075 10.408 -7.250 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.772 10.754 -4.617 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.343 11.919 -5.769 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.684 12.777 -7.182 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.901 12.947 -5.593 1.00 0.45 H new ATOM 895 N ASN A 557 0.235 10.133 -7.390 1.00 0.26 N ATOM 896 CA ASN A 557 -0.576 8.967 -7.754 1.00 0.26 C ATOM 897 C ASN A 557 0.051 7.685 -7.208 1.00 0.21 C ATOM 898 O ASN A 557 0.046 6.636 -7.865 1.00 0.25 O ATOM 899 CB ASN A 557 -0.728 8.858 -9.275 1.00 0.31 C ATOM 900 CG ASN A 557 -1.516 10.002 -9.875 1.00 0.38 C ATOM 901 OD1 ASN A 557 -0.955 11.016 -10.288 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.826 9.846 -9.926 1.00 1.28 N ATOM 0 H ASN A 557 -0.263 10.827 -6.833 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.564 9.098 -7.312 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.261 8.827 -9.732 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.222 7.917 -9.519 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.412 10.582 -10.319 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -3.252 8.989 -9.573 1.00 1.28 H new ATOM 909 N GLN A 558 0.577 7.777 -5.995 1.00 0.17 N ATOM 910 CA GLN A 558 1.285 6.667 -5.367 1.00 0.17 C ATOM 911 C GLN A 558 0.932 6.586 -3.889 1.00 0.16 C ATOM 912 O GLN A 558 0.345 7.515 -3.342 1.00 0.20 O ATOM 913 CB GLN A 558 2.792 6.843 -5.532 1.00 0.22 C ATOM 914 CG GLN A 558 3.274 6.733 -6.966 1.00 0.29 C ATOM 915 CD GLN A 558 4.773 6.890 -7.073 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.502 6.559 -6.142 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.242 7.383 -8.206 1.00 0.84 N ATOM 0 H GLN A 558 0.526 8.618 -5.420 1.00 0.17 H new ATOM 0 HA GLN A 558 0.981 5.740 -5.854 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.079 7.818 -5.137 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.303 6.092 -4.929 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.981 5.766 -7.374 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.785 7.496 -7.572 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.599 7.645 -8.953 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.247 7.502 -8.333 1.00 0.84 H new ATOM 926 N ALA A 559 1.268 5.476 -3.241 1.00 0.15 N ATOM 927 CA ALA A 559 0.953 5.304 -1.833 1.00 0.14 C ATOM 928 C ALA A 559 1.864 4.277 -1.155 1.00 0.14 C ATOM 929 O ALA A 559 2.573 3.514 -1.813 1.00 0.16 O ATOM 930 CB ALA A 559 -0.497 4.906 -1.673 1.00 0.15 C ATOM 0 H ALA A 559 1.755 4.688 -3.667 1.00 0.15 H new ATOM 0 HA ALA A 559 1.126 6.261 -1.340 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.725 4.779 -0.615 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.136 5.684 -2.091 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.677 3.968 -2.198 1.00 0.15 H new ATOM 936 N PHE A 560 1.837 4.292 0.168 1.00 0.14 N ATOM 937 CA PHE A 560 2.614 3.366 0.985 1.00 0.15 C ATOM 938 C PHE A 560 1.686 2.541 1.864 1.00 0.14 C ATOM 939 O PHE A 560 0.698 3.055 2.392 1.00 0.16 O ATOM 940 CB PHE A 560 3.607 4.111 1.884 1.00 0.16 C ATOM 941 CG PHE A 560 4.644 4.918 1.154 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.852 4.348 0.789 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.418 6.251 0.849 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.815 5.089 0.133 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.378 6.997 0.190 1.00 0.35 C ATOM 946 CZ PHE A 560 6.577 6.415 -0.168 1.00 0.30 C ATOM 0 H PHE A 560 1.274 4.948 0.710 1.00 0.14 H new ATOM 0 HA PHE A 560 3.169 2.717 0.307 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.049 4.776 2.543 1.00 0.16 H new ATOM 0 HB3 PHE A 560 4.114 3.385 2.519 1.00 0.16 H new ATOM 0 HD1 PHE A 560 6.043 3.311 1.020 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.482 6.712 1.129 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.753 4.632 -0.144 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.190 8.034 -0.044 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.328 6.996 -0.683 1.00 0.30 H new ATOM 956 N LEU A 561 2.016 1.272 2.020 1.00 0.14 N ATOM 957 CA LEU A 561 1.225 0.360 2.824 1.00 0.14 C ATOM 958 C LEU A 561 2.142 -0.533 3.657 1.00 0.16 C ATOM 959 O LEU A 561 2.973 -1.257 3.114 1.00 0.18 O ATOM 960 CB LEU A 561 0.347 -0.496 1.900 1.00 0.15 C ATOM 961 CG LEU A 561 -0.539 -1.534 2.588 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.556 -0.845 3.482 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.238 -2.410 1.553 1.00 0.20 C ATOM 0 H LEU A 561 2.839 0.846 1.594 1.00 0.14 H new ATOM 0 HA LEU A 561 0.588 0.929 3.501 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.292 0.170 1.320 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.995 -1.013 1.192 1.00 0.15 H new ATOM 0 HG LEU A 561 0.089 -2.174 3.207 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.181 -1.595 3.967 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.036 -0.260 4.241 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.181 -0.185 2.881 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -1.865 -3.143 2.061 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.858 -1.787 0.908 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.491 -2.926 0.950 1.00 0.20 H new ATOM 975 N GLU A 562 2.015 -0.462 4.970 1.00 0.17 N ATOM 976 CA GLU A 562 2.756 -1.371 5.829 1.00 0.20 C ATOM 977 C GLU A 562 1.868 -2.503 6.298 1.00 0.18 C ATOM 978 O GLU A 562 0.750 -2.292 6.779 1.00 0.18 O ATOM 979 CB GLU A 562 3.385 -0.684 7.041 1.00 0.27 C ATOM 980 CG GLU A 562 4.166 -1.665 7.909 1.00 0.57 C ATOM 981 CD GLU A 562 4.845 -1.029 9.099 1.00 1.17 C ATOM 982 OE1 GLU A 562 6.083 -1.121 9.203 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.146 -0.386 9.914 1.00 1.21 O ATOM 0 H GLU A 562 1.417 0.203 5.459 1.00 0.17 H new ATOM 0 HA GLU A 562 3.572 -1.760 5.219 1.00 0.20 H new ATOM 0 HB2 GLU A 562 4.050 0.111 6.703 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.604 -0.214 7.638 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.487 -2.441 8.263 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.920 -2.157 7.294 1.00 0.57 H new ATOM 990 N MET A 563 2.388 -3.700 6.146 1.00 0.25 N ATOM 991 CA MET A 563 1.692 -4.907 6.525 1.00 0.23 C ATOM 992 C MET A 563 2.399 -5.513 7.725 1.00 0.27 C ATOM 993 O MET A 563 3.622 -5.436 7.832 1.00 0.39 O ATOM 994 CB MET A 563 1.698 -5.861 5.335 1.00 0.25 C ATOM 995 CG MET A 563 1.232 -5.180 4.057 1.00 0.25 C ATOM 996 SD MET A 563 1.678 -6.078 2.563 1.00 0.31 S ATOM 997 CE MET A 563 1.042 -4.970 1.303 1.00 0.25 C ATOM 0 H MET A 563 3.315 -3.864 5.752 1.00 0.25 H new ATOM 0 HA MET A 563 0.657 -4.702 6.800 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.704 -6.254 5.190 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.051 -6.712 5.549 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.149 -5.062 4.091 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.660 -4.179 4.011 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.194 -5.413 0.319 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.023 -4.806 1.467 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.568 -4.017 1.357 1.00 0.25 H new ATOM 1007 N ALA A 564 1.617 -6.113 8.618 1.00 0.28 N ATOM 1008 CA ALA A 564 2.090 -6.488 9.951 1.00 0.33 C ATOM 1009 C ALA A 564 3.278 -7.441 9.914 1.00 0.27 C ATOM 1010 O ALA A 564 4.100 -7.447 10.831 1.00 0.40 O ATOM 1011 CB ALA A 564 0.951 -7.104 10.750 1.00 0.50 C ATOM 0 H ALA A 564 0.642 -6.353 8.441 1.00 0.28 H new ATOM 0 HA ALA A 564 2.435 -5.574 10.435 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.310 -7.381 11.741 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.141 -6.381 10.846 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.585 -7.992 10.236 1.00 0.50 H new ATOM 1017 N TYR A 565 3.367 -8.244 8.862 1.00 0.27 N ATOM 1018 CA TYR A 565 4.464 -9.190 8.719 1.00 0.37 C ATOM 1019 C TYR A 565 4.955 -9.219 7.278 1.00 0.33 C ATOM 1020 O TYR A 565 4.248 -8.797 6.362 1.00 0.29 O ATOM 1021 CB TYR A 565 4.026 -10.595 9.140 1.00 0.55 C ATOM 1022 CG TYR A 565 3.570 -10.701 10.578 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.218 -10.760 10.895 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.490 -10.739 11.617 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.798 -10.857 12.207 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.076 -10.835 12.931 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.731 -10.894 13.220 1.00 0.98 C ATOM 1028 OH TYR A 565 2.316 -10.989 14.530 1.00 1.15 O ATOM 0 H TYR A 565 2.693 -8.259 8.096 1.00 0.27 H new ATOM 0 HA TYR A 565 5.277 -8.865 9.368 1.00 0.37 H new ATOM 0 HB2 TYR A 565 3.214 -10.920 8.489 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.856 -11.284 8.983 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.484 -10.730 10.103 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.546 -10.693 11.394 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.744 -10.904 12.438 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.804 -10.864 13.728 1.00 1.00 H new ATOM 0 HH TYR A 565 3.098 -11.005 15.121 1.00 1.15 H new ATOM 1038 N THR A 566 6.163 -9.736 7.084 1.00 0.39 N ATOM 1039 CA THR A 566 6.745 -9.842 5.752 1.00 0.40 C ATOM 1040 C THR A 566 5.966 -10.857 4.913 1.00 0.36 C ATOM 1041 O THR A 566 5.879 -10.736 3.690 1.00 0.35 O ATOM 1042 CB THR A 566 8.246 -10.227 5.808 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.812 -10.231 4.493 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.453 -11.589 6.451 1.00 0.57 C ATOM 0 H THR A 566 6.759 -10.089 7.833 1.00 0.39 H new ATOM 0 HA THR A 566 6.675 -8.861 5.282 1.00 0.40 H new ATOM 0 HB THR A 566 8.749 -9.478 6.420 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.760 -10.474 4.546 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.517 -11.823 6.472 1.00 0.57 H new ATOM 0 HG22 THR A 566 8.065 -11.573 7.469 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.926 -12.348 5.873 1.00 0.57 H new ATOM 1052 N GLU A 567 5.364 -11.834 5.595 1.00 0.38 N ATOM 1053 CA GLU A 567 4.540 -12.848 4.944 1.00 0.40 C ATOM 1054 C GLU A 567 3.381 -12.208 4.186 1.00 0.31 C ATOM 1055 O GLU A 567 2.961 -12.702 3.140 1.00 0.32 O ATOM 1056 CB GLU A 567 3.996 -13.841 5.978 1.00 0.49 C ATOM 1057 CG GLU A 567 3.277 -13.173 7.140 1.00 0.55 C ATOM 1058 CD GLU A 567 2.599 -14.161 8.063 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.266 -14.668 8.989 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.400 -14.443 7.866 1.00 0.84 O ATOM 0 H GLU A 567 5.435 -11.942 6.607 1.00 0.38 H new ATOM 0 HA GLU A 567 5.169 -13.381 4.231 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.310 -14.529 5.484 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.821 -14.438 6.366 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.993 -12.583 7.712 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.532 -12.480 6.749 1.00 0.55 H new ATOM 1067 N ALA A 568 2.877 -11.101 4.717 1.00 0.26 N ATOM 1068 CA ALA A 568 1.756 -10.410 4.113 1.00 0.24 C ATOM 1069 C ALA A 568 2.211 -9.673 2.864 1.00 0.21 C ATOM 1070 O ALA A 568 1.564 -9.740 1.821 1.00 0.22 O ATOM 1071 CB ALA A 568 1.123 -9.452 5.110 1.00 0.25 C ATOM 0 H ALA A 568 3.232 -10.665 5.568 1.00 0.26 H new ATOM 0 HA ALA A 568 1.002 -11.142 3.825 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.283 -8.941 4.640 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.770 -10.010 5.977 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.862 -8.717 5.428 1.00 0.25 H new ATOM 1077 N ALA A 569 3.360 -9.010 2.970 1.00 0.19 N ATOM 1078 CA ALA A 569 3.882 -8.193 1.886 1.00 0.21 C ATOM 1079 C ALA A 569 4.195 -9.035 0.661 1.00 0.22 C ATOM 1080 O ALA A 569 3.832 -8.680 -0.459 1.00 0.24 O ATOM 1081 CB ALA A 569 5.131 -7.459 2.348 1.00 0.23 C ATOM 0 H ALA A 569 3.948 -9.025 3.803 1.00 0.19 H new ATOM 0 HA ALA A 569 3.117 -7.468 1.608 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.517 -6.849 1.532 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.884 -6.818 3.195 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.888 -8.183 2.649 1.00 0.23 H new ATOM 1087 N GLN A 570 4.847 -10.169 0.884 1.00 0.24 N ATOM 1088 CA GLN A 570 5.220 -11.048 -0.211 1.00 0.28 C ATOM 1089 C GLN A 570 3.984 -11.664 -0.859 1.00 0.27 C ATOM 1090 O GLN A 570 3.938 -11.836 -2.075 1.00 0.29 O ATOM 1091 CB GLN A 570 6.189 -12.141 0.264 1.00 0.34 C ATOM 1092 CG GLN A 570 5.652 -13.001 1.401 1.00 0.38 C ATOM 1093 CD GLN A 570 6.661 -14.007 1.941 1.00 0.51 C ATOM 1094 OE1 GLN A 570 6.647 -14.334 3.130 1.00 1.24 O ATOM 1095 NE2 GLN A 570 7.531 -14.521 1.083 1.00 1.04 N ATOM 0 H GLN A 570 5.126 -10.498 1.808 1.00 0.24 H new ATOM 0 HA GLN A 570 5.733 -10.447 -0.962 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.433 -12.786 -0.580 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.119 -11.672 0.586 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.330 -12.351 2.215 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.769 -13.537 1.053 1.00 0.38 H new ATOM 0 HE21 GLN A 570 7.516 -14.229 0.106 1.00 1.04 H new ATOM 0 HE22 GLN A 570 8.215 -15.208 1.400 1.00 1.04 H new ATOM 1104 N ALA A 571 2.979 -11.968 -0.044 1.00 0.26 N ATOM 1105 CA ALA A 571 1.755 -12.581 -0.537 1.00 0.27 C ATOM 1106 C ALA A 571 0.984 -11.625 -1.440 1.00 0.25 C ATOM 1107 O ALA A 571 0.532 -12.008 -2.520 1.00 0.27 O ATOM 1108 CB ALA A 571 0.884 -13.027 0.628 1.00 0.31 C ATOM 0 H ALA A 571 2.990 -11.799 0.962 1.00 0.26 H new ATOM 0 HA ALA A 571 2.029 -13.454 -1.129 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.029 -13.484 0.246 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.428 -13.753 1.232 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.628 -12.164 1.242 1.00 0.31 H new ATOM 1114 N MET A 572 0.851 -10.377 -1.006 1.00 0.25 N ATOM 1115 CA MET A 572 0.071 -9.397 -1.753 1.00 0.28 C ATOM 1116 C MET A 572 0.755 -9.040 -3.066 1.00 0.24 C ATOM 1117 O MET A 572 0.103 -8.973 -4.107 1.00 0.24 O ATOM 1118 CB MET A 572 -0.168 -8.132 -0.928 1.00 0.37 C ATOM 1119 CG MET A 572 -0.719 -8.411 0.458 1.00 0.47 C ATOM 1120 SD MET A 572 -1.456 -6.963 1.231 1.00 0.36 S ATOM 1121 CE MET A 572 -1.271 -7.379 2.964 1.00 0.33 C ATOM 0 H MET A 572 1.270 -10.021 -0.147 1.00 0.25 H new ATOM 0 HA MET A 572 -0.895 -9.852 -1.974 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.770 -7.586 -0.834 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.862 -7.484 -1.463 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.467 -9.201 0.392 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.084 -8.785 1.093 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.359 -6.475 3.567 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.049 -8.085 3.254 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.292 -7.831 3.127 1.00 0.33 H new ATOM 1131 N VAL A 573 2.071 -8.835 -3.025 1.00 0.24 N ATOM 1132 CA VAL A 573 2.821 -8.502 -4.232 1.00 0.27 C ATOM 1133 C VAL A 573 2.665 -9.606 -5.272 1.00 0.25 C ATOM 1134 O VAL A 573 2.366 -9.336 -6.432 1.00 0.28 O ATOM 1135 CB VAL A 573 4.322 -8.276 -3.934 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.116 -8.084 -5.220 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.509 -7.076 -3.019 1.00 0.32 C ATOM 0 H VAL A 573 2.634 -8.893 -2.177 1.00 0.24 H new ATOM 0 HA VAL A 573 2.412 -7.570 -4.622 1.00 0.27 H new ATOM 0 HB VAL A 573 4.699 -9.166 -3.431 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.167 -7.927 -4.979 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.016 -8.971 -5.845 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.734 -7.216 -5.757 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.571 -6.932 -2.820 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.106 -6.185 -3.500 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.984 -7.250 -2.080 1.00 0.32 H new ATOM 1147 N GLN A 574 2.824 -10.850 -4.830 1.00 0.23 N ATOM 1148 CA GLN A 574 2.669 -12.009 -5.705 1.00 0.25 C ATOM 1149 C GLN A 574 1.255 -12.085 -6.265 1.00 0.23 C ATOM 1150 O GLN A 574 1.052 -12.463 -7.422 1.00 0.26 O ATOM 1151 CB GLN A 574 3.000 -13.294 -4.947 1.00 0.28 C ATOM 1152 CG GLN A 574 4.483 -13.472 -4.666 1.00 0.33 C ATOM 1153 CD GLN A 574 5.291 -13.681 -5.930 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.783 -12.729 -6.539 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.432 -14.932 -6.335 1.00 2.09 N ATOM 0 H GLN A 574 3.061 -11.083 -3.866 1.00 0.23 H new ATOM 0 HA GLN A 574 3.363 -11.898 -6.538 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.457 -13.298 -4.002 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.643 -14.148 -5.523 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.858 -12.594 -4.140 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.624 -14.326 -4.003 1.00 0.33 H new ATOM 0 HE21 GLN A 574 5.009 -15.691 -5.802 1.00 2.09 H new ATOM 0 HE22 GLN A 574 5.964 -15.137 -7.181 1.00 2.09 H new ATOM 1164 N TYR A 575 0.287 -11.718 -5.441 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.108 -11.758 -5.848 1.00 0.20 C ATOM 1166 C TYR A 575 -1.366 -10.771 -6.981 1.00 0.20 C ATOM 1167 O TYR A 575 -1.894 -11.147 -8.022 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.021 -11.453 -4.651 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.477 -11.271 -5.017 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.018 -10.008 -5.217 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.313 -12.370 -5.164 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.350 -9.851 -5.550 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.642 -12.219 -5.497 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.149 -10.912 -5.691 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.482 -10.810 -6.018 1.00 0.48 O ATOM 0 H TYR A 575 0.441 -11.390 -4.488 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.333 -12.761 -6.211 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.938 -12.264 -3.928 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.665 -10.548 -4.157 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.389 -9.136 -5.111 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.914 -13.362 -5.014 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -5.750 -8.859 -5.698 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.284 -13.081 -5.608 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.875 -11.706 -6.070 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.965 -9.519 -6.785 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.222 -8.471 -7.773 1.00 0.25 C ATOM 1187 C TYR A 576 -0.351 -8.608 -9.019 1.00 0.30 C ATOM 1188 O TYR A 576 -0.613 -7.960 -10.034 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.072 -7.083 -7.147 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.073 -6.841 -6.041 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.426 -6.765 -6.313 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.658 -6.651 -4.731 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.344 -6.508 -5.315 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.571 -6.400 -3.724 1.00 0.36 C ATOM 1195 CZ TYR A 576 -3.915 -6.465 -3.997 1.00 0.29 C ATOM 1196 OH TYR A 576 -4.820 -6.068 -3.029 1.00 0.35 O ATOM 0 H TYR A 576 -0.463 -9.204 -5.955 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.254 -8.595 -8.101 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.063 -6.973 -6.751 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.196 -6.323 -7.919 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.771 -6.910 -7.326 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.605 -6.700 -4.494 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.383 -6.342 -5.557 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.230 -6.154 -2.729 1.00 0.36 H new ATOM 0 HH TYR A 576 -5.586 -6.680 -3.027 1.00 0.35 H new ATOM 1206 N GLN A 577 0.689 -9.428 -8.949 1.00 0.31 N ATOM 1207 CA GLN A 577 1.476 -9.726 -10.138 1.00 0.38 C ATOM 1208 C GLN A 577 0.644 -10.539 -11.120 1.00 0.37 C ATOM 1209 O GLN A 577 0.662 -10.286 -12.327 1.00 0.42 O ATOM 1210 CB GLN A 577 2.757 -10.486 -9.783 1.00 0.45 C ATOM 1211 CG GLN A 577 3.755 -9.660 -8.993 1.00 0.52 C ATOM 1212 CD GLN A 577 4.170 -8.394 -9.714 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.224 -8.349 -10.944 1.00 1.89 O ATOM 1214 NE2 GLN A 577 4.452 -7.350 -8.953 1.00 1.57 N ATOM 0 H GLN A 577 1.004 -9.892 -8.097 1.00 0.31 H new ATOM 0 HA GLN A 577 1.762 -8.781 -10.599 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.495 -11.373 -9.206 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.231 -10.832 -10.702 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.320 -9.398 -8.029 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.640 -10.264 -8.790 1.00 0.52 H new ATOM 0 HE21 GLN A 577 4.395 -7.429 -7.938 1.00 1.57 H new ATOM 0 HE22 GLN A 577 4.726 -6.466 -9.381 1.00 1.57 H new ATOM 1223 N GLU A 578 -0.094 -11.508 -10.598 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.948 -12.336 -11.434 1.00 0.38 C ATOM 1225 C GLU A 578 -2.351 -11.745 -11.560 1.00 0.33 C ATOM 1226 O GLU A 578 -2.956 -11.791 -12.633 1.00 0.36 O ATOM 1227 CB GLU A 578 -1.026 -13.756 -10.879 1.00 0.42 C ATOM 1228 CG GLU A 578 0.301 -14.490 -10.904 1.00 0.52 C ATOM 1229 CD GLU A 578 0.150 -15.967 -10.621 1.00 1.24 C ATOM 1230 OE1 GLU A 578 0.204 -16.355 -9.437 1.00 2.14 O ATOM 1231 OE2 GLU A 578 -0.016 -16.750 -11.578 1.00 1.31 O ATOM 0 H GLU A 578 -0.118 -11.739 -9.605 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.504 -12.366 -12.429 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.391 -13.717 -9.853 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.757 -14.323 -11.456 1.00 0.42 H new ATOM 0 HG2 GLU A 578 0.768 -14.356 -11.880 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.971 -14.048 -10.166 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.868 -11.187 -10.473 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.169 -10.529 -10.488 1.00 0.28 C ATOM 1240 C LYS A 579 -4.074 -9.167 -9.807 1.00 0.25 C ATOM 1241 O LYS A 579 -4.185 -9.068 -8.585 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.220 -11.389 -9.774 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.448 -12.748 -10.409 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.405 -13.581 -9.574 1.00 0.69 C ATOM 1245 CE LYS A 579 -5.748 -14.092 -8.303 1.00 1.69 C ATOM 1246 NZ LYS A 579 -6.662 -14.968 -7.521 1.00 2.46 N ATOM 0 H LYS A 579 -2.404 -11.177 -9.565 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.473 -10.395 -11.526 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.913 -11.532 -8.738 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.165 -10.846 -9.755 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.851 -12.622 -11.414 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.497 -13.271 -10.510 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -7.278 -12.982 -9.316 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.761 -14.426 -10.164 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -4.844 -14.646 -8.558 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -5.441 -13.246 -7.688 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -6.177 -15.296 -6.661 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.513 -14.433 -7.255 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -6.935 -15.788 -8.099 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.850 -8.102 -10.587 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.715 -6.743 -10.057 1.00 0.25 C ATOM 1262 C PRO A 580 -5.044 -6.182 -9.561 1.00 0.22 C ATOM 1263 O PRO A 580 -6.113 -6.666 -9.936 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.211 -5.940 -11.257 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.706 -6.683 -12.446 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.715 -8.137 -12.056 1.00 0.32 C ATOM 0 HA PRO A 580 -3.049 -6.706 -9.195 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.595 -4.920 -11.240 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.123 -5.871 -11.258 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.705 -6.349 -12.726 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -3.060 -6.515 -13.308 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.543 -8.672 -12.522 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.798 -8.640 -12.362 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.971 -5.152 -8.731 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.174 -4.516 -8.210 1.00 0.22 C ATOM 1276 C ALA A 581 -6.596 -3.390 -9.130 1.00 0.20 C ATOM 1277 O ALA A 581 -5.788 -2.545 -9.493 1.00 0.19 O ATOM 1278 CB ALA A 581 -5.927 -3.971 -6.814 1.00 0.27 C ATOM 0 H ALA A 581 -4.097 -4.740 -8.405 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.968 -5.261 -8.158 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.836 -3.500 -6.441 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.643 -4.787 -6.150 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.124 -3.234 -6.848 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.853 -3.391 -9.525 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.335 -2.418 -10.484 1.00 0.26 C ATOM 1286 C ILE A 582 -9.137 -1.321 -9.796 1.00 0.28 C ATOM 1287 O ILE A 582 -10.154 -1.586 -9.154 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.198 -3.095 -11.569 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.430 -4.265 -12.191 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.594 -2.089 -12.641 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.239 -5.071 -13.183 1.00 0.51 C ATOM 0 H ILE A 582 -8.557 -4.052 -9.198 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.464 -1.967 -10.959 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.108 -3.477 -11.106 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.541 -3.879 -12.690 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.087 -4.926 -11.395 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.202 -2.584 -13.398 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.167 -1.280 -12.187 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.697 -1.681 -13.106 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.626 -5.881 -13.579 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.114 -5.488 -12.685 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.560 -4.425 -14.000 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.664 -0.092 -9.929 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.355 1.069 -9.391 1.00 0.33 C ATOM 1305 C ILE A 583 -9.601 2.069 -10.509 1.00 0.36 C ATOM 1306 O ILE A 583 -8.655 2.559 -11.123 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.547 1.756 -8.265 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.451 0.855 -7.029 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.170 3.095 -7.900 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.785 0.560 -6.374 1.00 0.51 C ATOM 0 H ILE A 583 -7.793 0.129 -10.411 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.298 0.726 -8.965 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.537 1.932 -8.635 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -7.982 -0.087 -7.315 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.796 1.328 -6.298 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.588 3.563 -7.106 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.177 3.744 -8.776 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.192 2.939 -7.556 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.631 -0.083 -5.508 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.248 1.494 -6.055 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.437 0.057 -7.088 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.873 2.343 -10.788 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.260 3.278 -11.847 1.00 0.47 C ATOM 1324 C ASN A 584 -10.732 2.799 -13.193 1.00 0.45 C ATOM 1325 O ASN A 584 -10.377 3.597 -14.063 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.743 4.694 -11.561 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.380 5.342 -10.345 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -11.784 4.668 -9.391 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.476 6.660 -10.372 1.00 0.91 N ATOM 0 H ASN A 584 -11.661 1.928 -10.292 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.349 3.312 -11.877 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.663 4.655 -11.417 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.926 5.321 -12.434 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.896 7.157 -9.586 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.130 7.180 -11.178 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.681 1.484 -13.351 1.00 0.42 N ATOM 1337 CA GLY A 585 -10.214 0.894 -14.587 1.00 0.44 C ATOM 1338 C GLY A 585 -8.702 0.881 -14.708 1.00 0.39 C ATOM 1339 O GLY A 585 -8.163 0.471 -15.734 1.00 0.42 O ATOM 0 H GLY A 585 -10.958 0.810 -12.637 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.587 -0.128 -14.658 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.635 1.446 -15.427 1.00 0.44 H new ATOM 1343 N GLU A 586 -8.013 1.322 -13.667 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.560 1.355 -13.680 1.00 0.32 C ATOM 1345 C GLU A 586 -5.986 0.307 -12.733 1.00 0.24 C ATOM 1346 O GLU A 586 -6.376 0.222 -11.566 1.00 0.26 O ATOM 1347 CB GLU A 586 -6.058 2.753 -13.316 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.490 3.818 -14.315 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.967 5.196 -13.975 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.781 5.469 -14.252 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -6.741 6.017 -13.445 1.00 1.79 O ATOM 0 H GLU A 586 -8.437 1.662 -12.804 1.00 0.35 H new ATOM 0 HA GLU A 586 -6.218 1.118 -14.687 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.428 3.020 -12.326 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.970 2.738 -13.256 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -6.141 3.538 -15.309 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -7.579 3.849 -14.356 1.00 0.57 H new ATOM 1358 N LYS A 587 -5.086 -0.512 -13.264 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.467 -1.588 -12.505 1.00 0.19 C ATOM 1360 C LYS A 587 -3.411 -1.055 -11.544 1.00 0.17 C ATOM 1361 O LYS A 587 -2.475 -0.363 -11.951 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.825 -2.594 -13.459 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.766 -3.087 -14.547 1.00 0.33 C ATOM 1364 CD LYS A 587 -4.089 -4.111 -15.442 1.00 1.14 C ATOM 1365 CE LYS A 587 -4.960 -4.479 -16.635 1.00 1.10 C ATOM 1366 NZ LYS A 587 -5.128 -3.340 -17.576 1.00 1.67 N ATOM 0 H LYS A 587 -4.766 -0.448 -14.231 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.247 -2.076 -11.921 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.953 -2.135 -13.925 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.467 -3.449 -12.885 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.652 -3.529 -14.091 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -5.104 -2.243 -15.148 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -3.137 -3.713 -15.795 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.865 -5.008 -14.864 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -4.514 -5.322 -17.163 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.939 -4.805 -16.282 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -5.518 -3.687 -18.475 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -5.779 -2.642 -17.163 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -4.205 -2.893 -17.749 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.566 -1.390 -10.274 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.640 -0.965 -9.241 1.00 0.15 C ATOM 1382 C LEU A 588 -1.431 -1.886 -9.181 1.00 0.17 C ATOM 1383 O LEU A 588 -1.557 -3.105 -9.313 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.334 -0.949 -7.880 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.621 -0.129 -7.813 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.185 -0.152 -6.409 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.376 1.297 -8.264 1.00 0.16 C ATOM 0 H LEU A 588 -4.337 -1.964 -9.932 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.303 0.042 -9.488 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.562 -1.976 -7.595 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.636 -0.560 -7.139 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.349 -0.577 -8.489 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.102 0.436 -6.376 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.403 -1.180 -6.121 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.457 0.272 -5.717 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.307 1.861 -8.208 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.631 1.760 -7.617 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.014 1.296 -9.292 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.267 -1.295 -8.975 1.00 0.17 N ATOM 1400 CA LEU A 589 0.966 -2.054 -8.874 1.00 0.19 C ATOM 1401 C LEU A 589 1.512 -1.974 -7.454 1.00 0.18 C ATOM 1402 O LEU A 589 1.937 -0.908 -7.007 1.00 0.18 O ATOM 1403 CB LEU A 589 2.001 -1.523 -9.870 1.00 0.23 C ATOM 1404 CG LEU A 589 3.338 -2.265 -9.887 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.148 -3.695 -10.360 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.337 -1.544 -10.775 1.00 0.38 C ATOM 0 H LEU A 589 -0.150 -0.287 -8.874 1.00 0.17 H new ATOM 0 HA LEU A 589 0.757 -3.097 -9.114 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.570 -1.562 -10.871 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.190 -0.473 -9.646 1.00 0.23 H new ATOM 0 HG LEU A 589 3.730 -2.286 -8.870 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.110 -4.207 -10.366 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.465 -4.213 -9.687 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.732 -3.693 -11.368 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.282 -2.087 -10.775 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.949 -1.492 -11.792 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.498 -0.535 -10.396 1.00 0.38 H new ATOM 1418 N ILE A 590 1.478 -3.090 -6.742 1.00 0.18 N ATOM 1419 CA ILE A 590 2.038 -3.147 -5.401 1.00 0.18 C ATOM 1420 C ILE A 590 3.395 -3.843 -5.425 1.00 0.20 C ATOM 1421 O ILE A 590 3.528 -4.946 -5.958 1.00 0.26 O ATOM 1422 CB ILE A 590 1.092 -3.861 -4.404 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.241 -3.105 -4.314 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.740 -3.972 -3.030 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.146 -3.565 -3.184 1.00 0.21 C ATOM 0 H ILE A 590 1.070 -3.966 -7.069 1.00 0.18 H new ATOM 0 HA ILE A 590 2.162 -2.120 -5.057 1.00 0.18 H new ATOM 0 HB ILE A 590 0.900 -4.870 -4.767 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.035 -2.042 -4.189 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.773 -3.217 -5.259 1.00 0.19 H new ATOM 0 HG21 ILE A 590 1.058 -4.477 -2.346 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.664 -4.544 -3.109 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.962 -2.975 -2.651 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.065 -2.979 -3.193 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.387 -4.620 -3.317 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.636 -3.426 -2.230 1.00 0.21 H new ATOM 1437 N ARG A 591 4.393 -3.189 -4.845 1.00 0.18 N ATOM 1438 CA ARG A 591 5.765 -3.681 -4.858 1.00 0.22 C ATOM 1439 C ARG A 591 6.462 -3.308 -3.559 1.00 0.18 C ATOM 1440 O ARG A 591 5.990 -2.451 -2.819 1.00 0.19 O ATOM 1441 CB ARG A 591 6.540 -3.089 -6.038 1.00 0.33 C ATOM 1442 CG ARG A 591 6.147 -3.661 -7.387 1.00 0.45 C ATOM 1443 CD ARG A 591 6.948 -3.026 -8.509 1.00 0.65 C ATOM 1444 NE ARG A 591 8.390 -3.195 -8.320 1.00 1.33 N ATOM 1445 CZ ARG A 591 9.261 -3.366 -9.312 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.840 -3.433 -10.571 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.556 -3.472 -9.041 1.00 2.62 N ATOM 0 H ARG A 591 4.275 -2.304 -4.353 1.00 0.18 H new ATOM 0 HA ARG A 591 5.739 -4.766 -4.961 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.387 -2.010 -6.054 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.605 -3.258 -5.880 1.00 0.33 H new ATOM 0 HG2 ARG A 591 6.307 -4.739 -7.388 1.00 0.45 H new ATOM 0 HG3 ARG A 591 5.083 -3.497 -7.558 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.653 -3.469 -9.460 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.712 -1.963 -8.566 1.00 0.65 H new ATOM 0 HE ARG A 591 8.751 -3.181 -7.366 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.845 -3.353 -10.781 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.512 -3.564 -11.327 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.881 -3.422 -8.075 1.00 2.62 H new ATOM 0 HH22 ARG A 591 11.226 -3.603 -9.798 1.00 2.62 H new ATOM 1461 N MET A 592 7.584 -3.949 -3.283 1.00 0.17 N ATOM 1462 CA MET A 592 8.337 -3.663 -2.074 1.00 0.18 C ATOM 1463 C MET A 592 9.219 -2.438 -2.270 1.00 0.21 C ATOM 1464 O MET A 592 9.689 -2.166 -3.376 1.00 0.29 O ATOM 1465 CB MET A 592 9.176 -4.871 -1.663 1.00 0.19 C ATOM 1466 CG MET A 592 8.331 -6.055 -1.232 1.00 0.22 C ATOM 1467 SD MET A 592 9.304 -7.401 -0.540 1.00 0.29 S ATOM 1468 CE MET A 592 7.995 -8.541 -0.103 1.00 0.34 C ATOM 0 H MET A 592 7.993 -4.669 -3.878 1.00 0.17 H new ATOM 0 HA MET A 592 7.630 -3.451 -1.272 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.810 -5.168 -2.498 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.838 -4.586 -0.845 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.602 -5.724 -0.492 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.769 -6.424 -2.090 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.415 -9.534 0.055 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.509 -8.203 0.812 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.263 -8.581 -0.910 1.00 0.34 H new ATOM 1478 N SER A 593 9.439 -1.702 -1.189 1.00 0.23 N ATOM 1479 CA SER A 593 10.172 -0.451 -1.253 1.00 0.26 C ATOM 1480 C SER A 593 11.672 -0.687 -1.229 1.00 0.25 C ATOM 1481 O SER A 593 12.183 -1.455 -0.410 1.00 0.27 O ATOM 1482 CB SER A 593 9.786 0.431 -0.075 1.00 0.34 C ATOM 1483 OG SER A 593 10.057 -0.235 1.145 1.00 1.37 O ATOM 0 H SER A 593 9.117 -1.954 -0.254 1.00 0.23 H new ATOM 0 HA SER A 593 9.915 0.041 -2.191 1.00 0.26 H new ATOM 0 HB2 SER A 593 10.340 1.369 -0.117 1.00 0.34 H new ATOM 0 HB3 SER A 593 8.727 0.684 -0.132 1.00 0.34 H new ATOM 0 HG SER A 593 10.715 0.278 1.658 1.00 1.37 H new ATOM 1489 N THR A 594 12.364 -0.031 -2.135 1.00 0.27 N ATOM 1490 CA THR A 594 13.809 -0.089 -2.187 1.00 0.30 C ATOM 1491 C THR A 594 14.445 1.028 -1.354 1.00 0.31 C ATOM 1492 O THR A 594 15.594 0.920 -0.926 1.00 0.33 O ATOM 1493 CB THR A 594 14.291 0.010 -3.644 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.626 1.098 -4.301 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.022 -1.285 -4.397 1.00 0.38 C ATOM 0 H THR A 594 11.942 0.556 -2.855 1.00 0.27 H new ATOM 0 HA THR A 594 14.119 -1.045 -1.765 1.00 0.30 H new ATOM 0 HB THR A 594 15.367 0.187 -3.638 1.00 0.35 H new ATOM 0 HG1 THR A 594 13.937 1.159 -5.228 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.372 -1.188 -5.425 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.549 -2.105 -3.910 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.952 -1.490 -4.397 1.00 0.38 H new ATOM 1503 N ARG A 595 13.686 2.095 -1.107 1.00 0.32 N ATOM 1504 CA ARG A 595 14.272 3.318 -0.559 1.00 0.37 C ATOM 1505 C ARG A 595 13.981 3.521 0.933 1.00 0.37 C ATOM 1506 O ARG A 595 14.809 4.069 1.654 1.00 0.41 O ATOM 1507 CB ARG A 595 13.787 4.523 -1.366 1.00 0.41 C ATOM 1508 CG ARG A 595 14.098 4.397 -2.846 1.00 0.46 C ATOM 1509 CD ARG A 595 13.638 5.608 -3.638 1.00 0.56 C ATOM 1510 NE ARG A 595 13.795 5.391 -5.074 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.184 6.110 -6.017 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.422 7.145 -5.684 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.355 5.802 -7.295 1.00 2.75 N ATOM 0 H ARG A 595 12.681 2.139 -1.274 1.00 0.32 H new ATOM 0 HA ARG A 595 15.354 3.218 -0.643 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.711 4.636 -1.233 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.253 5.428 -0.976 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.172 4.265 -2.979 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.616 3.503 -3.241 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.593 5.818 -3.412 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.212 6.484 -3.335 1.00 0.56 H new ATOM 0 HE ARG A 595 14.414 4.639 -5.376 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.301 7.394 -4.702 1.00 1.16 H new ATOM 0 HH12 ARG A 595 11.958 7.691 -6.410 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.952 5.017 -7.555 1.00 2.75 H new ATOM 0 HH22 ARG A 595 12.889 6.350 -8.018 1.00 2.75 H new ATOM 1527 N TYR A 596 12.832 3.052 1.410 1.00 0.35 N ATOM 1528 CA TYR A 596 12.453 3.270 2.810 1.00 0.37 C ATOM 1529 C TYR A 596 12.156 1.961 3.526 1.00 0.35 C ATOM 1530 O TYR A 596 11.599 1.032 2.937 1.00 0.36 O ATOM 1531 CB TYR A 596 11.240 4.204 2.908 1.00 0.39 C ATOM 1532 CG TYR A 596 11.561 5.661 2.644 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.462 6.195 1.366 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.961 6.501 3.676 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.755 7.525 1.123 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.255 7.831 3.442 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.150 8.339 2.163 1.00 0.56 C ATOM 1538 OH TYR A 596 12.446 9.663 1.924 1.00 0.65 O ATOM 0 H TYR A 596 12.153 2.525 0.860 1.00 0.35 H new ATOM 0 HA TYR A 596 13.305 3.739 3.302 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.483 3.875 2.197 1.00 0.39 H new ATOM 0 HB3 TYR A 596 10.804 4.113 3.903 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.151 5.562 0.548 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.044 6.108 4.678 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.675 7.924 0.123 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.565 8.470 4.256 1.00 0.61 H new ATOM 0 HH TYR A 596 12.706 10.097 2.763 1.00 0.65 H new ATOM 1548 N LYS A 597 12.553 1.891 4.793 1.00 0.38 N ATOM 1549 CA LYS A 597 12.332 0.700 5.610 1.00 0.41 C ATOM 1550 C LYS A 597 11.277 0.923 6.687 1.00 0.41 C ATOM 1551 O LYS A 597 10.900 -0.018 7.379 1.00 0.48 O ATOM 1552 CB LYS A 597 13.627 0.221 6.274 1.00 0.50 C ATOM 1553 CG LYS A 597 14.631 -0.383 5.304 1.00 0.62 C ATOM 1554 CD LYS A 597 15.390 0.686 4.534 1.00 1.29 C ATOM 1555 CE LYS A 597 16.134 0.093 3.353 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.032 1.085 2.702 1.00 2.18 N ATOM 0 H LYS A 597 13.032 2.649 5.279 1.00 0.38 H new ATOM 0 HA LYS A 597 11.972 -0.067 4.924 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.093 1.062 6.787 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.381 -0.520 7.035 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.338 -1.005 5.854 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.111 -1.035 4.602 1.00 0.62 H new ATOM 0 HD2 LYS A 597 14.693 1.447 4.182 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.096 1.183 5.199 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.721 -0.762 3.687 1.00 1.67 H new ATOM 0 HE3 LYS A 597 15.416 -0.279 2.623 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.520 0.637 1.900 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.470 1.890 2.359 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.734 1.422 3.391 1.00 2.18 H new ATOM 1570 N GLU A 598 10.813 2.155 6.858 1.00 0.38 N ATOM 1571 CA GLU A 598 9.833 2.436 7.898 1.00 0.41 C ATOM 1572 C GLU A 598 8.835 3.489 7.429 1.00 0.34 C ATOM 1573 O GLU A 598 9.160 4.346 6.605 1.00 0.33 O ATOM 1574 CB GLU A 598 10.542 2.914 9.173 1.00 0.55 C ATOM 1575 CG GLU A 598 9.609 3.134 10.355 1.00 0.62 C ATOM 1576 CD GLU A 598 10.345 3.566 11.604 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.068 2.736 12.190 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.199 4.739 12.015 1.00 0.91 O ATOM 0 H GLU A 598 11.094 2.962 6.301 1.00 0.38 H new ATOM 0 HA GLU A 598 9.288 1.517 8.115 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.299 2.181 9.452 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.065 3.846 8.958 1.00 0.55 H new ATOM 0 HG2 GLU A 598 8.869 3.891 10.093 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.064 2.213 10.559 1.00 0.62 H new ATOM 1585 N LEU A 599 7.622 3.402 7.956 1.00 0.36 N ATOM 1586 CA LEU A 599 6.584 4.380 7.659 1.00 0.32 C ATOM 1587 C LEU A 599 6.315 5.276 8.857 1.00 0.33 C ATOM 1588 O LEU A 599 5.961 4.809 9.939 1.00 0.37 O ATOM 1589 CB LEU A 599 5.290 3.699 7.205 1.00 0.33 C ATOM 1590 CG LEU A 599 5.399 2.882 5.915 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.024 2.471 5.428 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.115 3.670 4.832 1.00 0.33 C ATOM 0 H LEU A 599 7.331 2.661 8.594 1.00 0.36 H new ATOM 0 HA LEU A 599 6.949 5.000 6.840 1.00 0.32 H new ATOM 0 HB2 LEU A 599 4.945 3.042 8.004 1.00 0.33 H new ATOM 0 HB3 LEU A 599 4.525 4.463 7.068 1.00 0.33 H new ATOM 0 HG LEU A 599 5.980 1.986 6.135 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.121 1.891 4.510 1.00 0.45 H new ATOM 0 HD12 LEU A 599 3.534 1.865 6.190 1.00 0.45 H new ATOM 0 HD13 LEU A 599 3.426 3.361 5.233 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.179 3.067 3.926 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.561 4.585 4.621 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.119 3.924 5.171 1.00 0.33 H new ATOM 1604 N GLN A 600 6.491 6.569 8.644 1.00 0.36 N ATOM 1605 CA GLN A 600 6.253 7.572 9.669 1.00 0.44 C ATOM 1606 C GLN A 600 4.966 8.332 9.358 1.00 0.39 C ATOM 1607 O GLN A 600 4.800 8.852 8.257 1.00 0.43 O ATOM 1608 CB GLN A 600 7.445 8.534 9.727 1.00 0.59 C ATOM 1609 CG GLN A 600 7.303 9.647 10.750 1.00 0.85 C ATOM 1610 CD GLN A 600 8.486 10.595 10.736 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.469 10.399 11.450 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.404 11.627 9.912 1.00 1.34 N ATOM 0 H GLN A 600 6.804 6.954 7.753 1.00 0.36 H new ATOM 0 HA GLN A 600 6.143 7.087 10.639 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.346 7.963 9.951 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.586 8.978 8.742 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.389 10.207 10.550 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.200 9.213 11.744 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.572 11.755 9.336 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.173 12.295 9.853 1.00 1.34 H new ATOM 1621 N LEU A 601 4.056 8.396 10.318 1.00 0.37 N ATOM 1622 CA LEU A 601 2.762 9.024 10.089 1.00 0.34 C ATOM 1623 C LEU A 601 2.795 10.502 10.451 1.00 0.39 C ATOM 1624 O LEU A 601 2.504 10.887 11.584 1.00 0.46 O ATOM 1625 CB LEU A 601 1.668 8.319 10.891 1.00 0.36 C ATOM 1626 CG LEU A 601 1.417 6.858 10.524 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.334 6.280 11.415 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.023 6.725 9.059 1.00 0.32 C ATOM 0 H LEU A 601 4.187 8.023 11.258 1.00 0.37 H new ATOM 0 HA LEU A 601 2.537 8.933 9.026 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.928 8.370 11.948 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.737 8.872 10.765 1.00 0.36 H new ATOM 0 HG LEU A 601 2.341 6.300 10.677 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.160 5.238 11.147 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.650 6.339 12.457 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.587 6.847 11.282 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.850 5.675 8.823 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.112 7.294 8.874 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.825 7.111 8.430 1.00 0.32 H new ATOM 1640 N LYS A 602 3.151 11.330 9.481 1.00 0.41 N ATOM 1641 CA LYS A 602 3.163 12.772 9.682 1.00 0.48 C ATOM 1642 C LYS A 602 1.748 13.326 9.581 1.00 0.46 C ATOM 1643 O LYS A 602 1.458 14.429 10.049 1.00 0.51 O ATOM 1644 CB LYS A 602 4.070 13.458 8.659 1.00 0.59 C ATOM 1645 CG LYS A 602 5.507 12.968 8.702 1.00 0.69 C ATOM 1646 CD LYS A 602 6.433 13.845 7.873 1.00 0.93 C ATOM 1647 CE LYS A 602 6.509 15.260 8.428 1.00 1.49 C ATOM 1648 NZ LYS A 602 7.582 16.057 7.780 1.00 1.73 N ATOM 0 H LYS A 602 3.435 11.030 8.548 1.00 0.41 H new ATOM 0 HA LYS A 602 3.556 12.975 10.678 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.668 13.293 7.660 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.055 14.534 8.835 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.853 12.950 9.735 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.552 11.943 8.333 1.00 0.69 H new ATOM 0 HD2 LYS A 602 7.431 13.407 7.855 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.080 13.876 6.842 1.00 0.93 H new ATOM 0 HE2 LYS A 602 5.550 15.758 8.283 1.00 1.49 H new ATOM 0 HE3 LYS A 602 6.687 15.219 9.503 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 7.598 17.014 8.188 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.501 15.597 7.940 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 7.399 16.119 6.758 1.00 1.73 H new ATOM 1662 N LYS A 603 0.869 12.549 8.968 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.518 12.939 8.803 1.00 0.48 C ATOM 1664 C LYS A 603 -1.421 11.985 9.570 1.00 0.54 C ATOM 1665 O LYS A 603 -1.055 10.829 9.797 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.894 12.949 7.318 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.076 13.927 6.493 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.188 15.343 7.037 1.00 0.79 C ATOM 1669 CE LYS A 603 0.649 16.317 6.233 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.172 16.433 4.830 1.00 1.69 N ATOM 0 H LYS A 603 1.097 11.636 8.574 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.651 13.945 9.200 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.764 11.946 6.912 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.951 13.198 7.220 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.969 13.618 6.491 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.417 13.906 5.458 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.231 15.658 7.020 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.133 15.360 8.078 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.621 17.298 6.708 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.689 15.991 6.237 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.839 17.015 4.284 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 0.110 15.486 4.405 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -0.767 16.880 4.818 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.599 12.465 10.004 1.00 0.67 N ATOM 1685 CA PRO A 604 -3.571 11.647 10.733 1.00 0.81 C ATOM 1686 C PRO A 604 -3.957 10.387 9.964 1.00 0.80 C ATOM 1687 O PRO A 604 -4.273 10.441 8.775 1.00 1.21 O ATOM 1688 CB PRO A 604 -4.786 12.572 10.900 1.00 1.01 C ATOM 1689 CG PRO A 604 -4.561 13.703 9.953 1.00 1.04 C ATOM 1690 CD PRO A 604 -3.074 13.846 9.828 1.00 0.82 C ATOM 0 HA PRO A 604 -3.167 11.292 11.681 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -5.713 12.047 10.670 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -4.868 12.930 11.926 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -5.016 13.497 8.984 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -5.011 14.622 10.328 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.787 14.252 8.858 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -2.666 14.514 10.587 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.926 9.262 10.653 1.00 0.68 N ATOM 1699 CA GLY A 605 -4.226 7.993 10.030 1.00 0.80 C ATOM 1700 C GLY A 605 -3.978 6.844 10.978 1.00 0.84 C ATOM 1701 O GLY A 605 -2.975 6.142 10.865 1.00 1.23 O ATOM 0 H GLY A 605 -3.696 9.204 11.645 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -5.267 7.982 9.706 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.613 7.870 9.137 1.00 0.80 H new ATOM 1705 N LYS A 606 -4.883 6.654 11.926 1.00 0.92 N ATOM 1706 CA LYS A 606 -4.683 5.648 12.957 1.00 1.10 C ATOM 1707 C LYS A 606 -5.749 4.558 12.901 1.00 0.81 C ATOM 1708 O LYS A 606 -5.479 3.412 13.258 1.00 0.82 O ATOM 1709 CB LYS A 606 -4.660 6.298 14.342 1.00 1.50 C ATOM 1710 CG LYS A 606 -5.989 6.898 14.768 1.00 1.82 C ATOM 1711 CD LYS A 606 -5.855 7.662 16.073 1.00 2.34 C ATOM 1712 CE LYS A 606 -7.209 8.098 16.606 1.00 2.84 C ATOM 1713 NZ LYS A 606 -7.074 8.991 17.785 1.00 3.47 N ATOM 0 H LYS A 606 -5.755 7.178 12.003 1.00 0.92 H new ATOM 0 HA LYS A 606 -3.719 5.176 12.770 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -4.358 5.552 15.077 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -3.901 7.080 14.352 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -6.355 7.566 13.989 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -6.729 6.105 14.882 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -5.356 7.036 16.813 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -5.224 8.538 15.920 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -7.760 8.614 15.820 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -7.792 7.219 16.880 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -8.019 9.268 18.121 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -6.570 8.490 18.544 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -6.539 9.842 17.517 1.00 3.47 H new ATOM 1727 N ASN A 607 -6.957 4.902 12.467 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.012 3.902 12.421 1.00 0.48 C ATOM 1729 C ASN A 607 -7.866 3.052 11.172 1.00 0.43 C ATOM 1730 O ASN A 607 -7.929 3.553 10.049 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.419 4.508 12.489 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.480 3.442 12.757 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.376 2.309 12.293 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.497 3.785 13.525 1.00 1.33 N ATOM 0 H ASN A 607 -7.223 5.835 12.152 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.898 3.280 13.309 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.453 5.262 13.276 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -9.642 5.016 11.551 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -12.222 3.102 13.747 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -11.558 4.733 13.897 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.674 1.766 11.383 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.626 0.803 10.300 1.00 0.22 C ATOM 1743 C VAL A 608 -8.622 -0.325 10.596 1.00 0.21 C ATOM 1744 O VAL A 608 -8.888 -1.195 9.765 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.181 0.265 10.116 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.102 -0.777 9.014 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.224 1.415 9.811 1.00 0.27 C ATOM 0 H VAL A 608 -7.547 1.358 12.309 1.00 0.30 H new ATOM 0 HA VAL A 608 -7.909 1.280 9.362 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.889 -0.214 11.051 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.074 -1.128 8.918 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.751 -1.618 9.261 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.424 -0.335 8.071 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.214 1.024 9.684 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.537 1.916 8.895 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.236 2.127 10.636 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.214 -0.257 11.785 1.00 0.28 N ATOM 1758 CA ALA A 609 -10.217 -1.221 12.217 1.00 0.33 C ATOM 1759 C ALA A 609 -11.505 -1.039 11.426 1.00 0.32 C ATOM 1760 O ALA A 609 -12.115 -2.007 10.959 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.497 -1.050 13.700 1.00 0.44 C ATOM 0 H ALA A 609 -9.011 0.467 12.474 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.833 -2.225 12.037 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -11.248 -1.775 14.014 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.579 -1.211 14.265 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.866 -0.041 13.887 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.896 0.219 11.266 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.111 0.569 10.549 1.00 0.35 C ATOM 1769 C ALA A 610 -13.034 0.097 9.107 1.00 0.30 C ATOM 1770 O ALA A 610 -14.043 -0.242 8.495 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.334 2.074 10.604 1.00 0.40 C ATOM 0 H ALA A 610 -11.381 1.021 11.629 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.954 0.071 11.027 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.247 2.327 10.064 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.428 2.390 11.643 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.488 2.584 10.144 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.817 0.049 8.585 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.595 -0.354 7.211 1.00 0.23 C ATOM 1779 C ILE A 611 -11.846 -1.856 7.061 1.00 0.22 C ATOM 1780 O ILE A 611 -12.349 -2.311 6.036 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.168 0.012 6.751 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -9.964 1.523 6.894 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -9.956 -0.407 5.305 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.568 1.983 6.561 1.00 0.23 C ATOM 0 H ILE A 611 -10.967 0.286 9.097 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.296 0.184 6.573 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.444 -0.514 7.373 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.671 2.039 6.244 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.199 1.817 7.917 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -8.945 -0.143 4.994 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.093 -1.485 5.215 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.677 0.105 4.668 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.502 3.064 6.686 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.856 1.496 7.227 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.335 1.722 5.529 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.516 -2.620 8.104 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.826 -4.049 8.131 1.00 0.24 C ATOM 1798 C ILE A 612 -13.333 -4.250 8.037 1.00 0.27 C ATOM 1799 O ILE A 612 -13.815 -5.105 7.294 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.328 -4.726 9.431 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.828 -4.497 9.633 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.632 -6.219 9.401 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.304 -5.025 10.952 1.00 0.31 C ATOM 0 H ILE A 612 -11.037 -2.275 8.936 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.317 -4.505 7.282 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.857 -4.273 10.270 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.284 -4.975 8.818 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.621 -3.429 9.571 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.276 -6.681 10.322 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.708 -6.370 9.312 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.130 -6.675 8.548 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.235 -4.827 11.024 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.821 -4.529 11.774 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.479 -6.099 11.009 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.073 -3.436 8.781 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.528 -3.519 8.784 1.00 0.35 C ATOM 1817 C GLN A 613 -16.072 -3.118 7.414 1.00 0.34 C ATOM 1818 O GLN A 613 -17.049 -3.685 6.924 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.109 -2.605 9.866 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.551 -2.860 11.261 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.719 -4.296 11.716 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.734 -4.658 12.311 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -14.718 -5.119 11.456 1.00 2.31 N ATOM 0 H GLN A 613 -13.690 -2.712 9.389 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.822 -4.546 8.999 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.915 -1.568 9.593 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.191 -2.731 9.891 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.492 -2.603 11.275 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.049 -2.200 11.971 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -13.894 -4.779 10.960 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -14.770 -6.094 11.751 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.393 -2.158 6.801 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.778 -1.653 5.486 1.00 0.33 C ATOM 1834 C ASP A 614 -15.608 -2.739 4.426 1.00 0.30 C ATOM 1835 O ASP A 614 -16.449 -2.893 3.542 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.954 -0.421 5.113 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.443 0.236 3.837 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.972 -0.142 2.747 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.299 1.146 3.922 1.00 1.09 O ATOM 0 H ASP A 614 -14.566 -1.709 7.195 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.828 -1.365 5.529 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.995 0.301 5.929 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.909 -0.708 4.993 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.523 -3.506 4.532 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.285 -4.625 3.622 1.00 0.27 C ATOM 1846 C ILE A 615 -15.420 -5.634 3.713 1.00 0.32 C ATOM 1847 O ILE A 615 -15.893 -6.136 2.701 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.954 -5.344 3.923 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.788 -4.379 3.750 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.776 -6.556 3.015 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.459 -4.959 4.155 1.00 0.18 C ATOM 0 H ILE A 615 -13.798 -3.373 5.237 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.232 -4.208 2.616 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.976 -5.692 4.956 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.736 -4.068 2.706 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.979 -3.483 4.340 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.831 -7.047 3.245 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.597 -7.255 3.176 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.773 -6.233 1.974 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.676 -4.215 4.004 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.492 -5.244 5.207 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.245 -5.838 3.547 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.867 -5.911 4.931 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.973 -6.840 5.138 1.00 0.46 C ATOM 1865 C HIS A 616 -18.267 -6.284 4.555 1.00 0.44 C ATOM 1866 O HIS A 616 -19.168 -7.037 4.196 1.00 0.46 O ATOM 1867 CB HIS A 616 -17.157 -7.169 6.620 1.00 0.59 C ATOM 1868 CG HIS A 616 -16.122 -8.109 7.159 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -14.963 -7.871 7.816 1.00 1.26 N flip ATOM 1870 CD2 HIS A 616 -16.222 -9.478 7.049 1.00 0.76 C flip ATOM 1871 CE1 HIS A 616 -14.390 -9.088 8.089 1.00 1.24 C flip ATOM 1872 NE2 HIS A 616 -15.170 -10.040 7.615 1.00 0.82 N flip ATOM 0 H HIS A 616 -15.484 -5.509 5.787 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.725 -7.764 4.615 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -17.130 -6.243 7.195 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -18.145 -7.606 6.767 1.00 0.59 H new ATOM 0 HD1 HIS A 616 -14.585 -6.956 8.063 1.00 1.26 H new ATOM 0 HD2 HIS A 616 -17.034 -10.009 6.574 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.455 -9.241 8.607 1.00 1.24 H new ATOM 1881 N SER A 617 -18.359 -4.962 4.480 1.00 0.45 N ATOM 1882 CA SER A 617 -19.502 -4.309 3.867 1.00 0.51 C ATOM 1883 C SER A 617 -19.440 -4.427 2.340 1.00 0.49 C ATOM 1884 O SER A 617 -20.470 -4.455 1.665 1.00 0.57 O ATOM 1885 CB SER A 617 -19.546 -2.837 4.284 1.00 0.58 C ATOM 1886 OG SER A 617 -19.459 -2.703 5.696 1.00 1.18 O ATOM 0 H SER A 617 -17.651 -4.321 4.839 1.00 0.45 H new ATOM 0 HA SER A 617 -20.411 -4.804 4.210 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.724 -2.298 3.813 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.471 -2.383 3.929 1.00 0.58 H new ATOM 0 HG SER A 617 -18.574 -2.995 5.998 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.224 -4.499 1.807 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.011 -4.566 0.364 1.00 0.58 C ATOM 1894 C GLN A 618 -17.934 -6.011 -0.119 1.00 1.36 C ATOM 1895 O GLN A 618 -18.824 -6.482 -0.832 1.00 2.14 O ATOM 1896 CB GLN A 618 -16.720 -3.836 -0.009 1.00 1.70 C ATOM 1897 CG GLN A 618 -16.766 -2.337 0.230 1.00 2.78 C ATOM 1898 CD GLN A 618 -17.770 -1.632 -0.662 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -17.446 -1.221 -1.777 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -18.989 -1.473 -0.173 1.00 4.68 N ATOM 0 H GLN A 618 -17.365 -4.513 2.357 1.00 0.49 H new ATOM 0 HA GLN A 618 -18.860 -4.085 -0.121 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -15.896 -4.260 0.565 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -16.502 -4.019 -1.061 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.017 -2.147 1.274 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -15.775 -1.915 0.059 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -19.216 -1.829 0.756 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -19.701 -0.995 -0.725 1.00 4.68 H new ATOM 1909 N ARG A 619 -16.866 -6.699 0.283 1.00 2.22 N ATOM 1910 CA ARG A 619 -16.608 -8.081 -0.115 1.00 3.46 C ATOM 1911 C ARG A 619 -16.474 -8.202 -1.627 1.00 4.18 C ATOM 1912 O ARG A 619 -17.422 -8.588 -2.316 1.00 4.57 O ATOM 1913 CB ARG A 619 -17.717 -9.011 0.385 1.00 4.18 C ATOM 1914 CG ARG A 619 -17.909 -8.978 1.890 1.00 4.41 C ATOM 1915 CD ARG A 619 -19.089 -9.833 2.313 1.00 5.33 C ATOM 1916 NE ARG A 619 -20.317 -9.452 1.615 1.00 6.03 N ATOM 1917 CZ ARG A 619 -21.404 -8.975 2.219 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -21.401 -8.746 3.524 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -22.489 -8.701 1.509 1.00 7.77 N ATOM 0 H ARG A 619 -16.151 -6.310 0.898 1.00 2.22 H new ATOM 0 HA ARG A 619 -15.665 -8.381 0.342 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -18.655 -8.736 -0.098 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -17.488 -10.032 0.079 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -17.004 -9.334 2.382 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -18.066 -7.950 2.216 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -18.868 -10.881 2.113 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -19.239 -9.739 3.389 1.00 5.33 H new ATOM 0 HE ARG A 619 -20.342 -9.558 0.601 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -20.562 -8.935 4.073 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -22.237 -8.381 3.980 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -22.491 -8.855 0.501 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -23.322 -8.336 1.971 1.00 7.77 H new ATOM 1933 N GLU A 620 -15.301 -7.862 -2.144 1.00 4.80 N ATOM 1934 CA GLU A 620 -15.035 -7.985 -3.570 1.00 5.84 C ATOM 1935 C GLU A 620 -14.871 -9.455 -3.952 1.00 6.68 C ATOM 1936 O GLU A 620 -13.766 -10.001 -3.921 1.00 7.20 O ATOM 1937 CB GLU A 620 -13.780 -7.197 -3.955 1.00 6.43 C ATOM 1938 CG GLU A 620 -13.442 -7.269 -5.438 1.00 6.93 C ATOM 1939 CD GLU A 620 -12.072 -6.705 -5.751 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -11.068 -7.227 -5.221 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -11.991 -5.734 -6.533 1.00 7.86 O ATOM 0 H GLU A 620 -14.520 -7.499 -1.598 1.00 4.80 H new ATOM 0 HA GLU A 620 -15.883 -7.571 -4.115 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -13.917 -6.153 -3.673 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -12.934 -7.574 -3.380 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -13.487 -8.307 -5.767 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -14.195 -6.721 -6.005 1.00 6.93 H new ATOM 1948 N ARG A 621 -15.978 -10.099 -4.282 1.00 7.11 N ATOM 1949 CA ARG A 621 -15.956 -11.487 -4.710 1.00 8.13 C ATOM 1950 C ARG A 621 -16.592 -11.604 -6.084 1.00 9.01 C ATOM 1951 O ARG A 621 -15.880 -11.415 -7.086 1.00 9.48 O ATOM 1952 CB ARG A 621 -16.702 -12.384 -3.713 1.00 8.49 C ATOM 1953 CG ARG A 621 -16.174 -12.311 -2.287 1.00 8.97 C ATOM 1954 CD ARG A 621 -14.692 -12.642 -2.215 1.00 9.41 C ATOM 1955 NE ARG A 621 -14.386 -13.955 -2.784 1.00 9.86 N ATOM 1956 CZ ARG A 621 -13.194 -14.290 -3.274 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -12.199 -13.415 -3.261 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -12.995 -15.502 -3.773 1.00 11.00 N ATOM 1959 OXT ARG A 621 -17.812 -11.864 -6.158 1.00 9.43 O ATOM 0 H ARG A 621 -16.908 -9.680 -4.261 1.00 7.11 H new ATOM 0 HA ARG A 621 -14.919 -11.818 -4.755 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -17.756 -12.108 -3.712 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -16.644 -13.417 -4.057 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -16.343 -11.311 -1.888 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -16.732 -13.004 -1.657 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -14.125 -11.878 -2.747 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -14.366 -12.615 -1.175 1.00 9.41 H new ATOM 0 HE ARG A 621 -15.129 -14.654 -2.807 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -12.345 -12.482 -2.875 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -11.287 -13.674 -3.637 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -13.756 -16.181 -3.782 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -12.081 -15.756 -4.148 1.00 11.00 H new TER 1973 ARG A 621