USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=36 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+ -179:sc= 2.18 (180deg=1.15) USER MOD Set 1.2: B 5 U O2' : rot 29:sc= 1.04 USER MOD Set 2.1: A 512 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 597 LYS NZ :NH3+ 172:sc= 1.43 (180deg=1.17) USER MOD Set 3.1: A 531 SER OG : rot 160:sc= 0 USER MOD Set 3.2: A 584 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.65) USER MOD Set 4.1: A 563 MET CE :methyl -175:sc= -6.25! (180deg=-6.69!) USER MOD Set 4.2: A 572 MET CE :methyl 171:sc= -3.72 (180deg=-3.89) USER MOD Set 5.1: A 553 MET CE :methyl 168:sc= -0.676 (180deg=-0.887) USER MOD Set 5.2: A 556 THR OG1 : rot 180:sc= -0.276 USER MOD Set 6.1: A 535 ASN : amide:sc= -1.42! K(o=-5.2!,f=-4.4) USER MOD Set 6.2: A 539 ASN : amide:sc= -3.8! K(o=-5.2!,f=-2.4) USER MOD Set 7.1: A 523 HIS : no HE2:sc= -2.03 K(o=-2.4,f=-1.5) USER MOD Set 7.2: A 525 CYS SG : rot -17:sc= -1.21! USER MOD Set 7.3: A 558 GLN : amide:sc= 0.207 K(o=-2.4,f=-3.8!) USER MOD Set 7.4: B 2 U O2' : rot 44:sc= 0.652 USER MOD Single : A 514 GLN : amide:sc= -1.15 K(o=-1.2,f=-4.3!) USER MOD Single : A 516 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.226) USER MOD Single : A 526 ASN : amide:sc= 0.492 K(o=0.49,f=-3.7!) USER MOD Single : A 532 CYS SG : rot 16:sc= -2.38! USER MOD Single : A 533 THR OG1 : rot -116:sc= 1.75 USER MOD Single : A 546 LYS NZ :NH3+ 170:sc=-0.00985 (180deg=-0.102) USER MOD Single : A 548 THR OG1 : rot 95:sc= 1.3 USER MOD Single : A 549 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.2!) USER MOD Single : A 550 TYR OH : rot 30:sc= 0.987 USER MOD Single : A 554 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.24) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= -3.41! K(o=-3.4!,f=-0.78) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 570 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 574 GLN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot -158:sc= -0.273 USER MOD Single : A 577 GLN : amide:sc= 1 K(o=1,f=-7.3!) USER MOD Single : A 579 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0534) USER MOD Single : A 587 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0571) USER MOD Single : A 592 MET CE :methyl 155:sc= 0 (180deg=-0.345) USER MOD Single : A 593 SER OG : rot -118:sc= -2.59! USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 596 TYR OH : rot 65:sc= 0.228 USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,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= 0.138 K(o=0.14,f=-12!) USER MOD Single : A 613 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 616 HIS : no HD1:sc= -0.215 X(o=-0.22,f=0.03) USER MOD Single : A 617 SER OG : rot -155:sc= 1.25 USER MOD Single : A 618 GLN : amide:sc= -0.0458 K(o=-0.046,f=-0.7) USER MOD Single : B 1 ADN O2' : rot -95:sc= 0.787 USER MOD Single : B 1 ADN O5' : rot 180:sc= 0 USER MOD Single : B 3 C O2' : rot 72:sc= 0.447 USER MOD Single : B 4 U O2' : rot 14:sc= 0.222 USER MOD Single : B 6 A O2' : rot 168:sc= 0.0258 USER MOD Single : B 6 A O3' : rot 129:sc= 0.147 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 9.993 -1.413 -13.373 1.00 3.64 O HETATM 2 C5' ADN B 1 10.972 -0.507 -12.857 1.00 3.04 C HETATM 3 C4' ADN B 1 11.104 0.723 -13.725 1.00 2.61 C HETATM 4 O4' ADN B 1 10.212 0.582 -14.867 1.00 3.25 O HETATM 5 C3' ADN B 1 10.700 2.034 -13.061 1.00 2.05 C HETATM 6 O3' ADN B 1 11.451 3.130 -13.574 1.00 2.33 O HETATM 7 C2' ADN B 1 9.220 2.151 -13.407 1.00 2.68 C HETATM 8 O2' ADN B 1 8.786 3.495 -13.450 1.00 3.28 O HETATM 9 C1' ADN B 1 9.208 1.575 -14.821 1.00 3.33 C HETATM 10 N9 ADN B 1 7.929 0.963 -15.179 1.00 4.21 N HETATM 11 C8 ADN B 1 7.654 -0.371 -15.337 1.00 4.58 C HETATM 12 N7 ADN B 1 6.407 -0.620 -15.658 1.00 5.53 N HETATM 13 C5 ADN B 1 5.822 0.637 -15.714 1.00 5.90 C HETATM 14 C6 ADN B 1 4.513 1.058 -16.003 1.00 7.05 C HETATM 15 N6 ADN B 1 3.517 0.219 -16.298 1.00 7.92 N HETATM 16 N1 ADN B 1 4.257 2.382 -15.972 1.00 7.44 N HETATM 17 C2 ADN B 1 5.257 3.222 -15.672 1.00 6.72 C HETATM 18 N3 ADN B 1 6.527 2.948 -15.382 1.00 5.56 N HETATM 19 C4 ADN B 1 6.748 1.623 -15.421 1.00 5.16 C HETATM 0 HO5' ADN B 1 9.934 -2.198 -12.789 1.00 3.64 H new HETATM 0 HO2' ADN B 1 8.402 3.743 -12.583 1.00 3.28 H new HETATM 0 HN62 ADN B 1 2.586 0.584 -16.499 1.00 7.92 H new HETATM 0 HN61 ADN B 1 3.687 -0.786 -16.322 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 10.697 -0.211 -11.845 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 11.936 -1.011 -12.791 1.00 3.04 H new HETATM 0 H8 ADN B 1 8.403 -1.152 -15.208 1.00 4.58 H new HETATM 0 H4' ADN B 1 12.164 0.779 -13.973 1.00 2.61 H new HETATM 0 H3' ADN B 1 10.887 2.049 -11.987 1.00 2.05 H new HETATM 0 H2' ADN B 1 8.570 1.658 -12.684 1.00 2.68 H new HETATM 0 H2 ADN B 1 4.993 4.280 -15.664 1.00 6.72 H new HETATM 0 H1' ADN B 1 9.378 2.387 -15.529 1.00 3.33 H new ATOM 32 P U B 2 11.893 4.329 -12.598 1.00 2.37 P ATOM 33 OP1 U B 2 12.422 5.438 -13.432 1.00 2.99 O ATOM 34 OP2 U B 2 12.748 3.746 -11.530 1.00 2.93 O ATOM 35 O5' U B 2 10.530 4.816 -11.936 1.00 2.04 O ATOM 36 C5' U B 2 10.125 4.360 -10.648 1.00 1.73 C ATOM 37 C4' U B 2 8.860 5.072 -10.231 1.00 1.24 C ATOM 38 O4' U B 2 7.776 4.662 -11.111 1.00 1.07 O ATOM 39 C3' U B 2 8.369 4.767 -8.819 1.00 0.95 C ATOM 40 O3' U B 2 7.741 5.912 -8.253 1.00 0.97 O ATOM 41 C2' U B 2 7.359 3.648 -9.043 1.00 0.83 C ATOM 42 O2' U B 2 6.389 3.591 -8.018 1.00 1.12 O ATOM 43 C1' U B 2 6.714 4.155 -10.330 1.00 0.74 C ATOM 44 N1 U B 2 5.988 3.133 -11.100 1.00 0.76 N ATOM 45 C2 U B 2 4.730 3.463 -11.574 1.00 1.11 C ATOM 46 O2 U B 2 4.214 4.553 -11.382 1.00 1.49 O ATOM 47 N3 U B 2 4.096 2.472 -12.281 1.00 1.23 N ATOM 48 C4 U B 2 4.578 1.211 -12.556 1.00 1.12 C ATOM 49 O4 U B 2 3.880 0.421 -13.195 1.00 1.35 O ATOM 50 C5 U B 2 5.883 0.948 -12.033 1.00 1.05 C ATOM 51 C6 U B 2 6.532 1.891 -11.340 1.00 0.89 C ATOM 0 H5' U B 2 10.915 4.546 -9.921 1.00 1.73 H new ATOM 0 H5'' U B 2 9.958 3.283 -10.669 1.00 1.73 H new ATOM 0 H4' U B 2 9.115 6.131 -10.281 1.00 1.24 H new ATOM 0 H3' U B 2 9.167 4.491 -8.130 1.00 0.95 H new ATOM 0 H2' U B 2 7.794 2.649 -9.072 1.00 0.83 H new ATOM 0 HO2' U B 2 6.077 4.497 -7.813 1.00 1.12 H new ATOM 0 H1' U B 2 5.958 4.896 -10.071 1.00 0.74 H new ATOM 0 H3 U B 2 3.168 2.693 -12.642 1.00 1.23 H new ATOM 0 H5 U B 2 6.346 -0.014 -12.198 1.00 1.05 H new ATOM 0 H6 U B 2 7.517 1.670 -10.956 1.00 0.89 H new ATOM 62 P C B 3 8.421 6.721 -7.044 1.00 1.05 P ATOM 63 OP1 C B 3 8.098 8.157 -7.246 1.00 1.58 O ATOM 64 OP2 C B 3 9.840 6.296 -6.923 1.00 1.17 O ATOM 65 O5' C B 3 7.635 6.208 -5.756 1.00 1.07 O ATOM 66 C5' C B 3 7.116 7.121 -4.790 1.00 0.98 C ATOM 67 C4' C B 3 7.724 6.845 -3.436 1.00 0.86 C ATOM 68 O4' C B 3 8.044 5.429 -3.347 1.00 0.90 O ATOM 69 C3' C B 3 9.029 7.581 -3.149 1.00 0.69 C ATOM 70 O3' C B 3 9.121 7.943 -1.774 1.00 0.87 O ATOM 71 C2' C B 3 10.101 6.569 -3.536 1.00 0.63 C ATOM 72 O2' C B 3 11.287 6.744 -2.790 1.00 0.82 O ATOM 73 C1' C B 3 9.431 5.263 -3.119 1.00 0.75 C ATOM 74 N1 C B 3 9.903 4.094 -3.880 1.00 0.69 N ATOM 75 C2 C B 3 10.879 3.264 -3.318 1.00 0.96 C ATOM 76 O2 C B 3 11.306 3.514 -2.180 1.00 1.32 O ATOM 77 N3 C B 3 11.329 2.201 -4.024 1.00 0.95 N ATOM 78 C4 C B 3 10.844 1.955 -5.243 1.00 0.70 C ATOM 79 N4 C B 3 11.324 0.898 -5.904 1.00 0.76 N ATOM 80 C5 C B 3 9.851 2.783 -5.840 1.00 0.69 C ATOM 81 C6 C B 3 9.414 3.831 -5.129 1.00 0.67 C ATOM 0 H5' C B 3 6.031 7.028 -4.736 1.00 0.98 H new ATOM 0 H5'' C B 3 7.333 8.145 -5.093 1.00 0.98 H new ATOM 0 H4' C B 3 6.978 7.187 -2.718 1.00 0.86 H new ATOM 0 H3' C B 3 9.121 8.518 -3.698 1.00 0.69 H new ATOM 0 H2' C B 3 10.401 6.636 -4.582 1.00 0.63 H new ATOM 0 HO2' C B 3 11.141 6.446 -1.868 1.00 0.82 H new ATOM 0 H1' C B 3 9.673 5.066 -2.075 1.00 0.75 H new ATOM 0 H41 C B 3 10.977 0.680 -6.838 1.00 0.76 H new ATOM 0 H42 C B 3 12.038 0.309 -5.475 1.00 0.76 H new ATOM 0 H5 C B 3 9.465 2.574 -6.827 1.00 0.69 H new ATOM 0 H6 C B 3 8.661 4.480 -5.551 1.00 0.67 H new ATOM 93 P U B 4 8.816 9.455 -1.315 1.00 0.75 P ATOM 94 OP1 U B 4 9.326 10.354 -2.384 1.00 1.02 O ATOM 95 OP2 U B 4 9.293 9.625 0.079 1.00 1.15 O ATOM 96 O5' U B 4 7.226 9.547 -1.310 1.00 0.71 O ATOM 97 C5' U B 4 6.556 10.732 -1.741 1.00 0.76 C ATOM 98 C4' U B 4 5.804 11.369 -0.596 1.00 0.65 C ATOM 99 O4' U B 4 5.555 10.372 0.435 1.00 0.61 O ATOM 100 C3' U B 4 6.512 12.530 0.099 1.00 0.67 C ATOM 101 O3' U B 4 5.622 13.619 0.324 1.00 0.79 O ATOM 102 C2' U B 4 7.019 11.938 1.410 1.00 0.63 C ATOM 103 O2' U B 4 7.007 12.889 2.457 1.00 0.77 O ATOM 104 C1' U B 4 5.957 10.877 1.690 1.00 0.58 C ATOM 105 N1 U B 4 6.444 9.769 2.524 1.00 0.58 N ATOM 106 C2 U B 4 6.293 9.885 3.895 1.00 0.66 C ATOM 107 O2 U B 4 5.785 10.857 4.428 1.00 0.71 O ATOM 108 N3 U B 4 6.770 8.824 4.622 1.00 0.75 N ATOM 109 C4 U B 4 7.371 7.685 4.132 1.00 0.79 C ATOM 110 O4 U B 4 7.735 6.808 4.916 1.00 0.93 O ATOM 111 C5 U B 4 7.491 7.643 2.707 1.00 0.72 C ATOM 112 C6 U B 4 7.035 8.660 1.967 1.00 0.62 C ATOM 0 H5' U B 4 5.864 10.491 -2.548 1.00 0.76 H new ATOM 0 H5'' U B 4 7.281 11.439 -2.144 1.00 0.76 H new ATOM 0 H4' U B 4 4.900 11.765 -1.060 1.00 0.65 H new ATOM 0 H3' U B 4 7.322 12.941 -0.504 1.00 0.67 H new ATOM 0 H2' U B 4 8.045 11.576 1.347 1.00 0.63 H new ATOM 0 HO2' U B 4 6.473 13.665 2.188 1.00 0.77 H new ATOM 0 H1' U B 4 5.140 11.336 2.246 1.00 0.58 H new ATOM 0 H3 U B 4 6.669 8.885 5.635 1.00 0.75 H new ATOM 0 H5 U B 4 7.950 6.790 2.229 1.00 0.72 H new ATOM 0 H6 U B 4 7.135 8.608 0.893 1.00 0.62 H new ATOM 123 P U B 5 5.075 14.478 -0.921 1.00 0.85 P ATOM 124 OP1 U B 5 5.669 13.913 -2.160 1.00 1.03 O ATOM 125 OP2 U B 5 5.259 15.917 -0.608 1.00 1.33 O ATOM 126 O5' U B 5 3.513 14.168 -0.936 1.00 0.85 O ATOM 127 C5' U B 5 2.752 14.249 0.263 1.00 0.75 C ATOM 128 C4' U B 5 1.424 13.556 0.082 1.00 0.55 C ATOM 129 O4' U B 5 1.447 12.307 0.824 1.00 0.43 O ATOM 130 C3' U B 5 0.219 14.322 0.613 1.00 0.55 C ATOM 131 O3' U B 5 -0.933 14.086 -0.189 1.00 0.57 O ATOM 132 C2' U B 5 0.046 13.777 2.027 1.00 0.48 C ATOM 133 O2' U B 5 -1.297 13.833 2.458 1.00 0.53 O ATOM 134 C1' U B 5 0.452 12.319 1.827 1.00 0.37 C ATOM 135 N1 U B 5 0.993 11.687 3.040 1.00 0.37 N ATOM 136 C2 U B 5 0.149 10.877 3.781 1.00 0.37 C ATOM 137 O2 U B 5 -1.006 10.649 3.463 1.00 0.40 O ATOM 138 N3 U B 5 0.712 10.334 4.909 1.00 0.43 N ATOM 139 C4 U B 5 2.001 10.514 5.362 1.00 0.48 C ATOM 140 O4 U B 5 2.358 9.961 6.402 1.00 0.56 O ATOM 141 C5 U B 5 2.807 11.361 4.540 1.00 0.49 C ATOM 142 C6 U B 5 2.293 11.907 3.433 1.00 0.44 C ATOM 0 H5' U B 5 2.592 15.293 0.532 1.00 0.75 H new ATOM 0 H5'' U B 5 3.302 13.789 1.084 1.00 0.75 H new ATOM 0 H4' U B 5 1.308 13.443 -0.996 1.00 0.55 H new ATOM 0 H3' U B 5 0.358 15.403 0.597 1.00 0.55 H new ATOM 0 H2' U B 5 0.614 14.331 2.774 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.892 13.768 1.682 1.00 0.53 H new ATOM 0 H1' U B 5 -0.437 11.749 1.556 1.00 0.37 H new ATOM 0 H3 U B 5 0.111 9.732 5.473 1.00 0.43 H new ATOM 0 H5 U B 5 3.833 11.560 4.813 1.00 0.49 H new ATOM 0 H6 U B 5 2.920 12.543 2.826 1.00 0.44 H new ATOM 153 P A B 6 -1.822 15.315 -0.724 1.00 0.96 P ATOM 154 OP1 A B 6 -2.067 15.110 -2.174 1.00 1.91 O ATOM 155 OP2 A B 6 -1.191 16.579 -0.265 1.00 1.79 O ATOM 156 O5' A B 6 -3.208 15.144 0.044 1.00 1.70 O ATOM 157 C5' A B 6 -4.125 16.227 0.158 1.00 2.27 C ATOM 158 C4' A B 6 -4.081 16.801 1.554 1.00 2.74 C ATOM 159 O4' A B 6 -2.701 17.130 1.881 1.00 2.62 O ATOM 160 C3' A B 6 -4.864 18.096 1.745 1.00 3.36 C ATOM 161 O3' A B 6 -5.436 18.179 3.055 1.00 4.05 O ATOM 162 C2' A B 6 -3.809 19.175 1.526 1.00 3.45 C ATOM 163 O2' A B 6 -4.112 20.368 2.222 1.00 4.23 O ATOM 164 C1' A B 6 -2.596 18.509 2.171 1.00 3.13 C ATOM 165 N9 A B 6 -1.313 19.010 1.675 1.00 3.07 N ATOM 166 C8 A B 6 -1.072 20.193 1.020 1.00 3.68 C ATOM 167 N7 A B 6 0.189 20.388 0.722 1.00 3.79 N ATOM 168 C5 A B 6 0.824 19.257 1.214 1.00 3.15 C ATOM 169 C6 A B 6 2.171 18.857 1.214 1.00 3.12 C ATOM 170 N6 A B 6 3.158 19.582 0.687 1.00 3.76 N ATOM 171 N1 A B 6 2.475 17.672 1.785 1.00 2.64 N ATOM 172 C2 A B 6 1.485 16.947 2.317 1.00 2.25 C ATOM 173 N3 A B 6 0.181 17.216 2.379 1.00 2.28 N ATOM 174 C4 A B 6 -0.088 18.399 1.804 1.00 2.69 C ATOM 0 H5' A B 6 -5.134 15.885 -0.071 1.00 2.27 H new ATOM 0 H5'' A B 6 -3.878 17.000 -0.569 1.00 2.27 H new ATOM 0 H4' A B 6 -4.528 16.035 2.188 1.00 2.74 H new ATOM 0 H3' A B 6 -5.712 18.184 1.065 1.00 3.36 H new ATOM 0 H2' A B 6 -3.699 19.471 0.483 1.00 3.45 H new ATOM 0 HO2' A B 6 -3.332 20.961 2.209 1.00 4.23 H new ATOM 0 HO3' A B 6 -5.198 19.038 3.462 1.00 4.05 H new ATOM 0 H1' A B 6 -2.604 18.727 3.239 1.00 3.13 H new ATOM 0 H8 A B 6 -1.851 20.899 0.773 1.00 3.68 H new ATOM 0 H61 A B 6 4.117 19.237 0.718 1.00 3.76 H new ATOM 0 H62 A B 6 2.954 20.482 0.253 1.00 3.76 H new ATOM 0 H2 A B 6 1.785 16.009 2.760 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 21.319 -2.070 -9.130 1.00 8.88 N ATOM 189 CA GLY A 510 21.456 -1.436 -7.802 1.00 8.14 C ATOM 190 C GLY A 510 20.616 -2.124 -6.749 1.00 7.17 C ATOM 191 O GLY A 510 19.452 -1.778 -6.548 1.00 7.17 O ATOM 0 HA2 GLY A 510 22.503 -1.455 -7.499 1.00 8.14 H new ATOM 0 HA3 GLY A 510 21.163 -0.388 -7.870 1.00 8.14 H new ATOM 197 N ALA A 511 21.203 -3.108 -6.083 1.00 6.63 N ATOM 198 CA ALA A 511 20.511 -3.846 -5.040 1.00 5.95 C ATOM 199 C ALA A 511 20.985 -3.396 -3.663 1.00 5.06 C ATOM 200 O ALA A 511 22.045 -2.776 -3.539 1.00 5.04 O ATOM 201 CB ALA A 511 20.730 -5.340 -5.221 1.00 6.64 C ATOM 0 H ALA A 511 22.162 -3.414 -6.249 1.00 6.63 H new ATOM 0 HA ALA A 511 19.443 -3.640 -5.116 1.00 5.95 H new ATOM 0 HB1 ALA A 511 20.207 -5.882 -4.434 1.00 6.64 H new ATOM 0 HB2 ALA A 511 20.344 -5.649 -6.193 1.00 6.64 H new ATOM 0 HB3 ALA A 511 21.796 -5.561 -5.167 1.00 6.64 H new ATOM 207 N MET A 512 20.200 -3.694 -2.637 1.00 4.71 N ATOM 208 CA MET A 512 20.547 -3.317 -1.274 1.00 4.26 C ATOM 209 C MET A 512 19.969 -4.328 -0.290 1.00 3.49 C ATOM 210 O MET A 512 18.976 -4.998 -0.591 1.00 3.57 O ATOM 211 CB MET A 512 20.011 -1.913 -0.966 1.00 4.93 C ATOM 212 CG MET A 512 20.543 -1.323 0.331 1.00 5.06 C ATOM 213 SD MET A 512 19.947 0.352 0.642 1.00 5.85 S ATOM 214 CE MET A 512 20.837 0.748 2.147 1.00 6.33 C ATOM 0 H MET A 512 19.317 -4.197 -2.723 1.00 4.71 H new ATOM 0 HA MET A 512 21.632 -3.309 -1.173 1.00 4.26 H new ATOM 0 HB2 MET A 512 20.269 -1.247 -1.790 1.00 4.93 H new ATOM 0 HB3 MET A 512 18.923 -1.953 -0.917 1.00 4.93 H new ATOM 0 HG2 MET A 512 20.253 -1.966 1.162 1.00 5.06 H new ATOM 0 HG3 MET A 512 21.633 -1.315 0.300 1.00 5.06 H new ATOM 0 HE1 MET A 512 20.576 1.756 2.470 1.00 6.33 H new ATOM 0 HE2 MET A 512 20.567 0.036 2.927 1.00 6.33 H new ATOM 0 HE3 MET A 512 21.910 0.693 1.961 1.00 6.33 H new ATOM 224 N ALA A 513 20.604 -4.459 0.873 1.00 3.37 N ATOM 225 CA ALA A 513 20.113 -5.347 1.919 1.00 3.26 C ATOM 226 C ALA A 513 18.954 -4.695 2.663 1.00 2.63 C ATOM 227 O ALA A 513 19.127 -4.160 3.759 1.00 3.17 O ATOM 228 CB ALA A 513 21.234 -5.707 2.884 1.00 4.20 C ATOM 0 H ALA A 513 21.461 -3.960 1.113 1.00 3.37 H new ATOM 0 HA ALA A 513 19.754 -6.266 1.455 1.00 3.26 H new ATOM 0 HB1 ALA A 513 20.849 -6.371 3.658 1.00 4.20 H new ATOM 0 HB2 ALA A 513 22.034 -6.209 2.341 1.00 4.20 H new ATOM 0 HB3 ALA A 513 21.623 -4.799 3.345 1.00 4.20 H new ATOM 234 N GLN A 514 17.780 -4.737 2.046 1.00 1.97 N ATOM 235 CA GLN A 514 16.584 -4.109 2.595 1.00 1.53 C ATOM 236 C GLN A 514 16.173 -4.760 3.908 1.00 1.41 C ATOM 237 O GLN A 514 16.195 -5.985 4.041 1.00 1.94 O ATOM 238 CB GLN A 514 15.434 -4.210 1.593 1.00 1.48 C ATOM 239 CG GLN A 514 15.714 -3.528 0.264 1.00 1.76 C ATOM 240 CD GLN A 514 15.919 -2.037 0.413 1.00 2.06 C ATOM 241 OE1 GLN A 514 17.037 -1.567 0.602 1.00 2.88 O ATOM 242 NE2 GLN A 514 14.837 -1.281 0.337 1.00 2.17 N ATOM 0 H GLN A 514 17.630 -5.206 1.153 1.00 1.97 H new ATOM 0 HA GLN A 514 16.813 -3.061 2.787 1.00 1.53 H new ATOM 0 HB2 GLN A 514 15.215 -5.262 1.411 1.00 1.48 H new ATOM 0 HB3 GLN A 514 14.540 -3.770 2.035 1.00 1.48 H new ATOM 0 HG2 GLN A 514 16.601 -3.971 -0.189 1.00 1.76 H new ATOM 0 HG3 GLN A 514 14.883 -3.711 -0.418 1.00 1.76 H new ATOM 0 HE21 GLN A 514 13.925 -1.710 0.179 1.00 2.17 H new ATOM 0 HE22 GLN A 514 14.914 -0.269 0.437 1.00 2.17 H new ATOM 251 N ARG A 515 15.805 -3.938 4.878 1.00 1.22 N ATOM 252 CA ARG A 515 15.324 -4.440 6.156 1.00 1.19 C ATOM 253 C ARG A 515 13.828 -4.714 6.081 1.00 1.13 C ATOM 254 O ARG A 515 13.102 -4.028 5.362 1.00 1.84 O ATOM 255 CB ARG A 515 15.607 -3.438 7.282 1.00 1.39 C ATOM 256 CG ARG A 515 17.070 -3.045 7.408 1.00 1.59 C ATOM 257 CD ARG A 515 17.970 -4.261 7.557 1.00 1.75 C ATOM 258 NE ARG A 515 19.372 -3.882 7.719 1.00 2.36 N ATOM 259 CZ ARG A 515 20.401 -4.650 7.373 1.00 3.12 C ATOM 260 NH1 ARG A 515 20.195 -5.839 6.822 1.00 3.44 N ATOM 261 NH2 ARG A 515 21.637 -4.217 7.568 1.00 4.00 N ATOM 0 H ARG A 515 15.830 -2.921 4.805 1.00 1.22 H new ATOM 0 HA ARG A 515 15.853 -5.367 6.375 1.00 1.19 H new ATOM 0 HB2 ARG A 515 15.014 -2.540 7.112 1.00 1.39 H new ATOM 0 HB3 ARG A 515 15.274 -3.866 8.227 1.00 1.39 H new ATOM 0 HG2 ARG A 515 17.371 -2.476 6.528 1.00 1.59 H new ATOM 0 HG3 ARG A 515 17.198 -2.390 8.270 1.00 1.59 H new ATOM 0 HD2 ARG A 515 17.650 -4.847 8.419 1.00 1.75 H new ATOM 0 HD3 ARG A 515 17.865 -4.900 6.680 1.00 1.75 H new ATOM 0 HE ARG A 515 19.575 -2.968 8.124 1.00 2.36 H new ATOM 0 HH11 ARG A 515 19.243 -6.169 6.662 1.00 3.44 H new ATOM 0 HH12 ARG A 515 20.988 -6.423 6.559 1.00 3.44 H new ATOM 0 HH21 ARG A 515 21.796 -3.298 7.982 1.00 4.00 H new ATOM 0 HH22 ARG A 515 22.430 -4.802 7.304 1.00 4.00 H new ATOM 275 N LYS A 516 13.383 -5.743 6.788 1.00 0.82 N ATOM 276 CA LYS A 516 11.961 -6.050 6.893 1.00 0.79 C ATOM 277 C LYS A 516 11.607 -6.403 8.334 1.00 0.90 C ATOM 278 O LYS A 516 10.678 -7.175 8.585 1.00 1.11 O ATOM 279 CB LYS A 516 11.567 -7.220 5.983 1.00 0.97 C ATOM 280 CG LYS A 516 11.850 -7.010 4.503 1.00 1.06 C ATOM 281 CD LYS A 516 10.973 -5.925 3.900 1.00 1.07 C ATOM 282 CE LYS A 516 11.057 -5.926 2.381 1.00 1.24 C ATOM 283 NZ LYS A 516 12.457 -5.825 1.891 1.00 1.89 N ATOM 0 H LYS A 516 13.989 -6.384 7.301 1.00 0.82 H new ATOM 0 HA LYS A 516 11.411 -5.163 6.577 1.00 0.79 H new ATOM 0 HB2 LYS A 516 12.097 -8.113 6.315 1.00 0.97 H new ATOM 0 HB3 LYS A 516 10.502 -7.416 6.109 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.898 -6.744 4.369 1.00 1.06 H new ATOM 0 HG3 LYS A 516 11.688 -7.945 3.967 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.939 -6.077 4.209 1.00 1.07 H new ATOM 0 HD3 LYS A 516 11.280 -4.952 4.283 1.00 1.07 H new ATOM 0 HE2 LYS A 516 10.605 -6.840 1.995 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.476 -5.092 1.987 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 12.463 -5.398 0.943 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 13.010 -5.232 2.541 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 12.878 -6.775 1.846 1.00 1.89 H new ATOM 297 N GLY A 517 12.359 -5.851 9.275 1.00 0.96 N ATOM 298 CA GLY A 517 12.126 -6.145 10.676 1.00 1.13 C ATOM 299 C GLY A 517 11.020 -5.290 11.249 1.00 1.25 C ATOM 300 O GLY A 517 9.839 -5.578 11.054 1.00 2.04 O ATOM 0 H GLY A 517 13.127 -5.204 9.094 1.00 0.96 H new ATOM 0 HA2 GLY A 517 11.868 -7.198 10.789 1.00 1.13 H new ATOM 0 HA3 GLY A 517 13.044 -5.979 11.240 1.00 1.13 H new ATOM 304 N ALA A 518 11.397 -4.232 11.951 1.00 1.01 N ATOM 305 CA ALA A 518 10.428 -3.279 12.468 1.00 1.14 C ATOM 306 C ALA A 518 10.130 -2.245 11.404 1.00 1.08 C ATOM 307 O ALA A 518 9.138 -1.517 11.465 1.00 1.75 O ATOM 308 CB ALA A 518 10.945 -2.612 13.732 1.00 1.41 C ATOM 0 H ALA A 518 12.367 -4.012 12.175 1.00 1.01 H new ATOM 0 HA ALA A 518 9.510 -3.808 12.725 1.00 1.14 H new ATOM 0 HB1 ALA A 518 10.202 -1.904 14.099 1.00 1.41 H new ATOM 0 HB2 ALA A 518 11.131 -3.370 14.493 1.00 1.41 H new ATOM 0 HB3 ALA A 518 11.872 -2.084 13.511 1.00 1.41 H new ATOM 314 N GLY A 519 11.006 -2.208 10.427 1.00 0.67 N ATOM 315 CA GLY A 519 10.847 -1.326 9.300 1.00 0.60 C ATOM 316 C GLY A 519 10.512 -2.098 8.051 1.00 0.50 C ATOM 317 O GLY A 519 11.343 -2.853 7.547 1.00 0.51 O ATOM 0 H GLY A 519 11.845 -2.787 10.393 1.00 0.67 H new ATOM 0 HA2 GLY A 519 10.057 -0.604 9.508 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.765 -0.759 9.146 1.00 0.60 H new ATOM 321 N ARG A 520 9.289 -1.954 7.566 1.00 0.46 N ATOM 322 CA ARG A 520 8.925 -2.554 6.299 1.00 0.40 C ATOM 323 C ARG A 520 8.232 -1.527 5.428 1.00 0.34 C ATOM 324 O ARG A 520 7.337 -0.814 5.885 1.00 0.36 O ATOM 325 CB ARG A 520 7.995 -3.752 6.513 1.00 0.44 C ATOM 326 CG ARG A 520 8.545 -4.800 7.464 1.00 0.56 C ATOM 327 CD ARG A 520 7.669 -6.039 7.496 1.00 0.64 C ATOM 328 NE ARG A 520 7.563 -6.662 6.178 1.00 0.93 N ATOM 329 CZ ARG A 520 8.060 -7.864 5.884 1.00 1.70 C ATOM 330 NH1 ARG A 520 8.692 -8.575 6.812 1.00 2.13 N ATOM 331 NH2 ARG A 520 7.924 -8.359 4.663 1.00 2.22 N ATOM 0 H ARG A 520 8.542 -1.433 8.026 1.00 0.46 H new ATOM 0 HA ARG A 520 9.834 -2.901 5.808 1.00 0.40 H new ATOM 0 HB2 ARG A 520 7.040 -3.393 6.897 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.795 -4.220 5.549 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.555 -5.075 7.159 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.619 -4.379 8.467 1.00 0.56 H new ATOM 0 HD2 ARG A 520 8.080 -6.757 8.206 1.00 0.64 H new ATOM 0 HD3 ARG A 520 6.674 -5.772 7.853 1.00 0.64 H new ATOM 0 HE ARG A 520 7.081 -6.148 5.441 1.00 0.93 H new ATOM 0 HH11 ARG A 520 8.799 -8.202 7.755 1.00 2.13 H new ATOM 0 HH12 ARG A 520 9.070 -9.494 6.581 1.00 2.13 H new ATOM 0 HH21 ARG A 520 7.438 -7.821 3.946 1.00 2.22 H new ATOM 0 HH22 ARG A 520 8.305 -9.279 4.440 1.00 2.22 H new ATOM 345 N VAL A 521 8.649 -1.449 4.179 1.00 0.29 N ATOM 346 CA VAL A 521 7.998 -0.584 3.218 1.00 0.24 C ATOM 347 C VAL A 521 7.404 -1.384 2.070 1.00 0.21 C ATOM 348 O VAL A 521 8.116 -2.105 1.366 1.00 0.23 O ATOM 349 CB VAL A 521 8.952 0.492 2.673 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.277 1.317 1.595 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.444 1.385 3.798 1.00 0.32 C ATOM 0 H VAL A 521 9.438 -1.977 3.806 1.00 0.29 H new ATOM 0 HA VAL A 521 7.190 -0.080 3.748 1.00 0.24 H new ATOM 0 HB VAL A 521 9.811 -0.009 2.228 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.972 2.071 1.225 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.977 0.667 0.774 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.396 1.807 2.010 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.118 2.141 3.394 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.593 1.874 4.273 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.974 0.782 4.535 1.00 0.32 H new ATOM 361 N VAL A 522 6.105 -1.258 1.886 1.00 0.20 N ATOM 362 CA VAL A 522 5.437 -1.838 0.739 1.00 0.18 C ATOM 363 C VAL A 522 4.761 -0.708 -0.024 1.00 0.18 C ATOM 364 O VAL A 522 3.969 0.038 0.550 1.00 0.19 O ATOM 365 CB VAL A 522 4.403 -2.906 1.154 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.844 -3.617 -0.067 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.020 -3.905 2.123 1.00 0.22 C ATOM 0 H VAL A 522 5.487 -0.755 2.522 1.00 0.20 H new ATOM 0 HA VAL A 522 6.170 -2.344 0.111 1.00 0.18 H new ATOM 0 HB VAL A 522 3.580 -2.403 1.661 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.117 -4.365 0.249 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.358 -2.892 -0.720 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.655 -4.105 -0.607 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.274 -4.649 2.403 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.865 -4.400 1.646 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.363 -3.382 3.016 1.00 0.22 H new ATOM 377 N HIS A 523 5.087 -0.546 -1.295 1.00 0.18 N ATOM 378 CA HIS A 523 4.616 0.598 -2.055 1.00 0.18 C ATOM 379 C HIS A 523 3.506 0.193 -3.010 1.00 0.17 C ATOM 380 O HIS A 523 3.612 -0.804 -3.724 1.00 0.18 O ATOM 381 CB HIS A 523 5.786 1.196 -2.843 1.00 0.20 C ATOM 382 CG HIS A 523 5.466 2.456 -3.590 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.312 2.502 -4.959 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.319 3.727 -3.157 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.091 3.748 -5.331 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.089 4.514 -4.258 1.00 0.37 N ATOM 0 H HIS A 523 5.675 -1.192 -1.822 1.00 0.18 H new ATOM 0 HA HIS A 523 4.217 1.340 -1.363 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.604 1.398 -2.152 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.145 0.451 -3.553 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.361 1.699 -5.586 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.373 4.063 -2.132 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.937 4.085 -6.346 1.00 0.44 H new ATOM 395 N ILE A 524 2.454 0.983 -3.019 1.00 0.16 N ATOM 396 CA ILE A 524 1.335 0.772 -3.912 1.00 0.16 C ATOM 397 C ILE A 524 1.275 1.934 -4.889 1.00 0.17 C ATOM 398 O ILE A 524 1.340 3.093 -4.490 1.00 0.19 O ATOM 399 CB ILE A 524 0.015 0.663 -3.122 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.160 -0.407 -2.032 1.00 0.16 C ATOM 401 CG2 ILE A 524 -1.151 0.346 -4.053 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.104 -0.673 -1.245 1.00 0.18 C ATOM 0 H ILE A 524 2.350 1.792 -2.406 1.00 0.16 H new ATOM 0 HA ILE A 524 1.471 -0.164 -4.454 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.199 1.621 -2.649 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.488 -1.338 -2.495 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.946 -0.101 -1.341 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -2.071 0.274 -3.473 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.251 1.139 -4.794 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.966 -0.602 -4.558 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.912 -1.442 -0.497 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.424 0.244 -0.749 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.889 -1.013 -1.921 1.00 0.18 H new ATOM 414 N CYS A 525 1.185 1.639 -6.167 1.00 0.17 N ATOM 415 CA CYS A 525 1.242 2.684 -7.169 1.00 0.18 C ATOM 416 C CYS A 525 0.168 2.505 -8.222 1.00 0.15 C ATOM 417 O CYS A 525 -0.467 1.448 -8.295 1.00 0.16 O ATOM 418 CB CYS A 525 2.632 2.734 -7.809 1.00 0.29 C ATOM 419 SG CYS A 525 3.342 1.114 -8.190 1.00 1.17 S ATOM 0 H CYS A 525 1.073 0.695 -6.536 1.00 0.17 H new ATOM 0 HA CYS A 525 1.054 3.636 -6.672 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.574 3.316 -8.729 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.308 3.264 -7.138 1.00 0.29 H new ATOM 0 HG CYS A 525 2.698 0.193 -7.536 1.00 1.17 H new ATOM 425 N ASN A 526 -0.031 3.571 -8.996 1.00 0.15 N ATOM 426 CA ASN A 526 -0.988 3.618 -10.108 1.00 0.16 C ATOM 427 C ASN A 526 -2.361 4.014 -9.596 1.00 0.15 C ATOM 428 O ASN A 526 -3.387 3.657 -10.175 1.00 0.18 O ATOM 429 CB ASN A 526 -1.065 2.299 -10.891 1.00 0.19 C ATOM 430 CG ASN A 526 0.236 1.946 -11.585 1.00 0.21 C ATOM 431 OD1 ASN A 526 1.015 2.819 -11.957 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.473 0.658 -11.771 1.00 0.26 N ATOM 0 H ASN A 526 0.478 4.446 -8.867 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.626 4.371 -10.808 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.337 1.493 -10.209 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.859 2.370 -11.634 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.329 0.359 -12.239 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.200 -0.036 -11.447 1.00 0.26 H new ATOM 439 N LEU A 527 -2.362 4.779 -8.516 1.00 0.15 N ATOM 440 CA LEU A 527 -3.592 5.282 -7.929 1.00 0.17 C ATOM 441 C LEU A 527 -3.883 6.661 -8.511 1.00 0.22 C ATOM 442 O LEU A 527 -3.043 7.550 -8.429 1.00 0.25 O ATOM 443 CB LEU A 527 -3.439 5.376 -6.404 1.00 0.15 C ATOM 444 CG LEU A 527 -3.375 4.044 -5.653 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.959 4.263 -4.204 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.725 3.352 -5.703 1.00 0.21 C ATOM 0 H LEU A 527 -1.516 5.067 -8.025 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.417 4.606 -8.155 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.532 5.939 -6.184 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.275 5.953 -6.010 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.630 3.412 -6.137 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.920 3.304 -3.688 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -1.975 4.731 -4.175 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.684 4.911 -3.711 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.669 2.405 -5.166 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.478 3.989 -5.238 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.999 3.164 -6.741 1.00 0.21 H new ATOM 458 N PRO A 528 -5.056 6.869 -9.123 1.00 0.26 N ATOM 459 CA PRO A 528 -5.397 8.167 -9.701 1.00 0.33 C ATOM 460 C PRO A 528 -5.743 9.194 -8.629 1.00 0.34 C ATOM 461 O PRO A 528 -6.505 8.906 -7.705 1.00 0.32 O ATOM 462 CB PRO A 528 -6.630 7.873 -10.572 1.00 0.38 C ATOM 463 CG PRO A 528 -6.803 6.386 -10.563 1.00 0.37 C ATOM 464 CD PRO A 528 -6.121 5.882 -9.324 1.00 0.29 C ATOM 0 HA PRO A 528 -4.563 8.592 -10.259 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.515 8.370 -10.175 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.486 8.242 -11.588 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -7.860 6.119 -10.559 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.364 5.940 -11.455 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.802 5.842 -8.474 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.722 4.877 -9.461 1.00 0.29 H new ATOM 472 N GLU A 529 -5.191 10.395 -8.761 1.00 0.41 N ATOM 473 CA GLU A 529 -5.488 11.482 -7.837 1.00 0.46 C ATOM 474 C GLU A 529 -6.950 11.879 -7.960 1.00 0.47 C ATOM 475 O GLU A 529 -7.444 12.106 -9.066 1.00 0.53 O ATOM 476 CB GLU A 529 -4.592 12.683 -8.121 1.00 0.57 C ATOM 477 CG GLU A 529 -4.889 13.889 -7.246 1.00 0.66 C ATOM 478 CD GLU A 529 -4.214 15.145 -7.747 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.809 15.842 -8.597 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.083 15.438 -7.309 1.00 1.41 O ATOM 0 H GLU A 529 -4.534 10.640 -9.501 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.296 11.140 -6.820 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.552 12.390 -7.979 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -4.703 12.968 -9.167 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -5.966 14.050 -7.207 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.560 13.685 -6.227 1.00 0.66 H new ATOM 487 N GLY A 530 -7.633 11.977 -6.834 1.00 0.46 N ATOM 488 CA GLY A 530 -9.062 12.188 -6.855 1.00 0.48 C ATOM 489 C GLY A 530 -9.793 10.870 -6.754 1.00 0.43 C ATOM 490 O GLY A 530 -11.019 10.813 -6.819 1.00 0.46 O ATOM 0 H GLY A 530 -7.222 11.914 -5.903 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.352 12.836 -6.028 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.347 12.699 -7.775 1.00 0.48 H new ATOM 494 N SER A 531 -9.021 9.803 -6.600 1.00 0.37 N ATOM 495 CA SER A 531 -9.562 8.458 -6.510 1.00 0.35 C ATOM 496 C SER A 531 -8.717 7.607 -5.565 1.00 0.28 C ATOM 497 O SER A 531 -8.922 6.398 -5.443 1.00 0.30 O ATOM 498 CB SER A 531 -9.589 7.823 -7.896 1.00 0.40 C ATOM 499 OG SER A 531 -10.367 8.596 -8.795 1.00 1.08 O ATOM 0 H SER A 531 -8.004 9.847 -6.534 1.00 0.37 H new ATOM 0 HA SER A 531 -10.577 8.511 -6.117 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.572 7.730 -8.277 1.00 0.40 H new ATOM 0 HB3 SER A 531 -9.998 6.815 -7.830 1.00 0.40 H new ATOM 0 HG SER A 531 -10.122 8.371 -9.717 1.00 1.08 H new ATOM 505 N CYS A 532 -7.773 8.251 -4.890 1.00 0.24 N ATOM 506 CA CYS A 532 -6.903 7.561 -3.954 1.00 0.20 C ATOM 507 C CYS A 532 -7.489 7.675 -2.562 1.00 0.18 C ATOM 508 O CYS A 532 -7.208 8.634 -1.840 1.00 0.21 O ATOM 509 CB CYS A 532 -5.497 8.170 -3.952 1.00 0.21 C ATOM 510 SG CYS A 532 -4.702 8.265 -5.566 1.00 0.25 S ATOM 0 H CYS A 532 -7.593 9.251 -4.975 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.828 6.517 -4.258 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.554 9.175 -3.533 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.864 7.582 -3.287 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.594 8.111 -6.499 1.00 0.25 H new ATOM 516 N THR A 533 -8.313 6.720 -2.176 1.00 0.17 N ATOM 517 CA THR A 533 -8.921 6.791 -0.870 1.00 0.18 C ATOM 518 C THR A 533 -8.189 5.846 0.058 1.00 0.17 C ATOM 519 O THR A 533 -7.653 4.827 -0.383 1.00 0.18 O ATOM 520 CB THR A 533 -10.410 6.397 -0.915 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.534 4.987 -1.131 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.134 7.149 -2.028 1.00 0.28 C ATOM 0 H THR A 533 -8.570 5.906 -2.735 1.00 0.17 H new ATOM 0 HA THR A 533 -8.853 7.819 -0.514 1.00 0.18 H new ATOM 0 HB THR A 533 -10.865 6.662 0.040 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.971 4.825 -1.993 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.184 6.856 -2.042 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.059 8.222 -1.851 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.677 6.907 -2.988 1.00 0.28 H new ATOM 530 N GLU A 534 -8.178 6.170 1.339 1.00 0.19 N ATOM 531 CA GLU A 534 -7.529 5.333 2.330 1.00 0.20 C ATOM 532 C GLU A 534 -8.252 4.011 2.406 1.00 0.19 C ATOM 533 O GLU A 534 -7.652 2.960 2.628 1.00 0.20 O ATOM 534 CB GLU A 534 -7.465 6.022 3.696 1.00 0.23 C ATOM 535 CG GLU A 534 -6.735 7.372 3.672 1.00 0.27 C ATOM 536 CD GLU A 534 -7.500 8.444 2.916 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.746 8.474 3.009 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.855 9.280 2.249 1.00 1.64 O ATOM 0 H GLU A 534 -8.614 7.011 1.718 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.497 5.157 2.028 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.480 6.174 4.064 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.965 5.361 4.404 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.567 7.707 4.696 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -5.755 7.241 3.214 1.00 0.27 H new ATOM 545 N ASN A 535 -9.553 4.086 2.199 1.00 0.20 N ATOM 546 CA ASN A 535 -10.404 2.922 2.258 1.00 0.22 C ATOM 547 C ASN A 535 -10.006 1.882 1.210 1.00 0.21 C ATOM 548 O ASN A 535 -9.773 0.736 1.559 1.00 0.21 O ATOM 549 CB ASN A 535 -11.866 3.342 2.077 1.00 0.27 C ATOM 550 CG ASN A 535 -12.808 2.161 1.977 1.00 0.96 C ATOM 551 OD1 ASN A 535 -13.183 1.742 0.883 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.194 1.616 3.115 1.00 1.38 N ATOM 0 H ASN A 535 -10.044 4.954 1.986 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.283 2.458 3.237 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -12.165 3.970 2.916 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.956 3.950 1.177 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.827 0.816 3.109 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.859 1.994 4.001 1.00 1.38 H new ATOM 559 N ASP A 536 -9.829 2.293 -0.048 1.00 0.21 N ATOM 560 CA ASP A 536 -9.576 1.329 -1.133 1.00 0.22 C ATOM 561 C ASP A 536 -8.195 0.696 -0.996 1.00 0.17 C ATOM 562 O ASP A 536 -8.030 -0.521 -1.105 1.00 0.16 O ATOM 563 CB ASP A 536 -9.687 2.000 -2.510 1.00 0.27 C ATOM 564 CG ASP A 536 -11.100 2.421 -2.868 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.002 1.558 -2.873 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.313 3.616 -3.171 1.00 0.61 O ATOM 0 H ASP A 536 -9.855 3.269 -0.342 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.336 0.552 -1.052 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.039 2.876 -2.531 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.318 1.312 -3.271 1.00 0.27 H new ATOM 571 N VAL A 537 -7.218 1.550 -0.746 1.00 0.15 N ATOM 572 CA VAL A 537 -5.825 1.124 -0.641 1.00 0.13 C ATOM 573 C VAL A 537 -5.664 0.129 0.512 1.00 0.12 C ATOM 574 O VAL A 537 -5.073 -0.952 0.364 1.00 0.13 O ATOM 575 CB VAL A 537 -4.892 2.340 -0.444 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.427 1.934 -0.488 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.178 3.390 -1.502 1.00 0.13 C ATOM 0 H VAL A 537 -7.361 2.551 -0.610 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.543 0.631 -1.571 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.090 2.759 0.543 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.801 2.815 -0.346 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.225 1.214 0.305 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.204 1.482 -1.454 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.516 4.244 -1.356 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -5.009 2.965 -2.491 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.215 3.717 -1.420 1.00 0.13 H new ATOM 587 N ILE A 538 -6.228 0.480 1.655 1.00 0.12 N ATOM 588 CA ILE A 538 -6.216 -0.401 2.804 1.00 0.12 C ATOM 589 C ILE A 538 -7.093 -1.637 2.567 1.00 0.12 C ATOM 590 O ILE A 538 -6.786 -2.721 3.069 1.00 0.12 O ATOM 591 CB ILE A 538 -6.627 0.317 4.099 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.640 1.437 4.422 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.676 -0.676 5.242 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.977 2.178 5.695 1.00 0.23 C ATOM 0 H ILE A 538 -6.700 1.371 1.809 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.185 -0.729 2.932 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.616 0.754 3.961 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.638 1.016 4.508 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.618 2.144 3.593 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.968 -0.162 6.158 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.403 -1.456 5.016 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.692 -1.126 5.376 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.238 2.960 5.867 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.966 2.627 5.604 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.971 1.482 6.534 1.00 0.23 H new ATOM 606 N ASN A 539 -8.191 -1.483 1.814 1.00 0.12 N ATOM 607 CA ASN A 539 -9.032 -2.635 1.467 1.00 0.14 C ATOM 608 C ASN A 539 -8.218 -3.679 0.729 1.00 0.15 C ATOM 609 O ASN A 539 -8.578 -4.850 0.716 1.00 0.17 O ATOM 610 CB ASN A 539 -10.237 -2.290 0.575 1.00 0.17 C ATOM 611 CG ASN A 539 -11.353 -1.514 1.251 1.00 0.20 C ATOM 612 OD1 ASN A 539 -12.118 -0.826 0.578 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.465 -1.609 2.564 1.00 0.21 N ATOM 0 H ASN A 539 -8.513 -0.590 1.440 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.408 -3.003 2.422 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.881 -1.711 -0.278 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.651 -3.218 0.180 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.204 -1.102 3.051 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.812 -2.189 3.091 1.00 0.21 H new ATOM 620 N LEU A 540 -7.162 -3.253 0.055 1.00 0.15 N ATOM 621 CA LEU A 540 -6.260 -4.199 -0.574 1.00 0.17 C ATOM 622 C LEU A 540 -5.373 -4.862 0.477 1.00 0.16 C ATOM 623 O LEU A 540 -5.127 -6.065 0.421 1.00 0.19 O ATOM 624 CB LEU A 540 -5.381 -3.484 -1.601 1.00 0.19 C ATOM 625 CG LEU A 540 -6.128 -2.816 -2.753 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.143 -2.151 -3.698 1.00 0.27 C ATOM 627 CD2 LEU A 540 -6.988 -3.824 -3.500 1.00 0.24 C ATOM 0 H LEU A 540 -6.912 -2.272 -0.069 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.855 -4.962 -1.076 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.792 -2.726 -1.085 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.678 -4.206 -2.017 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.788 -2.053 -2.339 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.686 -1.678 -4.516 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.572 -1.396 -3.157 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.462 -2.901 -4.101 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.510 -3.323 -4.316 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.355 -4.613 -3.905 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.717 -4.258 -2.816 1.00 0.24 H new ATOM 639 N GLY A 541 -4.899 -4.060 1.431 1.00 0.14 N ATOM 640 CA GLY A 541 -4.021 -4.572 2.479 1.00 0.16 C ATOM 641 C GLY A 541 -4.650 -5.548 3.471 1.00 0.15 C ATOM 642 O GLY A 541 -4.132 -6.642 3.687 1.00 0.19 O ATOM 0 H GLY A 541 -5.106 -3.064 1.498 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.173 -5.066 2.004 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.624 -3.724 3.038 1.00 0.16 H new ATOM 646 N LEU A 542 -5.771 -5.175 4.057 1.00 0.13 N ATOM 647 CA LEU A 542 -6.318 -5.911 5.203 1.00 0.14 C ATOM 648 C LEU A 542 -6.702 -7.378 4.931 1.00 0.16 C ATOM 649 O LEU A 542 -6.487 -8.226 5.797 1.00 0.20 O ATOM 650 CB LEU A 542 -7.502 -5.161 5.786 1.00 0.13 C ATOM 651 CG LEU A 542 -7.126 -3.948 6.626 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.358 -3.130 6.947 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.426 -4.387 7.903 1.00 0.16 C ATOM 0 H LEU A 542 -6.327 -4.370 3.767 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.498 -5.965 5.919 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.149 -4.837 4.971 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.084 -5.847 6.401 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.439 -3.325 6.054 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.075 -2.266 7.548 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.821 -2.791 6.020 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.067 -3.743 7.504 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.163 -3.510 8.494 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.092 -5.027 8.481 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.521 -4.939 7.650 1.00 0.16 H new ATOM 665 N PRO A 543 -7.292 -7.727 3.774 1.00 0.17 N ATOM 666 CA PRO A 543 -7.682 -9.115 3.501 1.00 0.19 C ATOM 667 C PRO A 543 -6.497 -10.082 3.513 1.00 0.20 C ATOM 668 O PRO A 543 -6.668 -11.272 3.780 1.00 0.23 O ATOM 669 CB PRO A 543 -8.317 -9.043 2.107 1.00 0.22 C ATOM 670 CG PRO A 543 -8.748 -7.627 1.982 1.00 0.21 C ATOM 671 CD PRO A 543 -7.670 -6.841 2.665 1.00 0.17 C ATOM 0 HA PRO A 543 -8.354 -9.502 4.268 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.603 -9.313 1.329 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.161 -9.727 2.017 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.850 -7.335 0.937 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.717 -7.464 2.454 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.830 -6.640 2.000 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.033 -5.877 3.020 1.00 0.17 H new ATOM 679 N PHE A 544 -5.293 -9.580 3.241 1.00 0.20 N ATOM 680 CA PHE A 544 -4.111 -10.432 3.213 1.00 0.22 C ATOM 681 C PHE A 544 -3.259 -10.265 4.470 1.00 0.22 C ATOM 682 O PHE A 544 -2.257 -10.963 4.639 1.00 0.28 O ATOM 683 CB PHE A 544 -3.257 -10.122 1.984 1.00 0.23 C ATOM 684 CG PHE A 544 -3.965 -10.336 0.679 1.00 0.25 C ATOM 685 CD1 PHE A 544 -4.115 -11.612 0.164 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.482 -9.266 -0.031 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.768 -11.819 -1.034 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.137 -9.465 -1.231 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.270 -10.721 -1.742 1.00 0.33 C ATOM 0 H PHE A 544 -5.114 -8.596 3.039 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.462 -11.463 3.169 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.923 -9.086 2.039 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.364 -10.747 2.008 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.716 -12.456 0.707 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.372 -8.264 0.358 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.891 -12.819 -1.422 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.546 -8.621 -1.767 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.762 -10.869 -2.692 1.00 0.33 H new ATOM 699 N GLY A 545 -3.640 -9.346 5.346 1.00 0.19 N ATOM 700 CA GLY A 545 -2.864 -9.137 6.551 1.00 0.21 C ATOM 701 C GLY A 545 -3.326 -7.942 7.358 1.00 0.21 C ATOM 702 O GLY A 545 -4.355 -7.347 7.066 1.00 0.44 O ATOM 0 H GLY A 545 -4.461 -8.749 5.247 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.921 -10.031 7.172 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.816 -9.003 6.282 1.00 0.21 H new ATOM 706 N LYS A 546 -2.556 -7.583 8.370 1.00 0.27 N ATOM 707 CA LYS A 546 -2.927 -6.481 9.243 1.00 0.25 C ATOM 708 C LYS A 546 -2.258 -5.194 8.779 1.00 0.20 C ATOM 709 O LYS A 546 -1.031 -5.129 8.679 1.00 0.24 O ATOM 710 CB LYS A 546 -2.532 -6.791 10.689 1.00 0.35 C ATOM 711 CG LYS A 546 -2.849 -5.673 11.672 1.00 0.41 C ATOM 712 CD LYS A 546 -2.409 -6.036 13.082 1.00 0.92 C ATOM 713 CE LYS A 546 -2.686 -4.911 14.070 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.135 -4.602 14.182 1.00 2.07 N ATOM 0 H LYS A 546 -1.673 -8.036 8.608 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.008 -6.350 9.198 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.046 -7.698 11.008 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -1.463 -7.000 10.726 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.349 -4.757 11.357 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -3.920 -5.471 11.664 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -2.929 -6.938 13.404 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -1.343 -6.265 13.082 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -2.299 -5.188 15.051 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -2.149 -4.015 13.757 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.291 -3.955 14.981 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -4.463 -4.152 13.303 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -4.666 -5.482 14.340 1.00 2.07 H new ATOM 728 N VAL A 547 -3.064 -4.184 8.483 1.00 0.16 N ATOM 729 CA VAL A 547 -2.552 -2.868 8.152 1.00 0.15 C ATOM 730 C VAL A 547 -2.364 -2.043 9.418 1.00 0.18 C ATOM 731 O VAL A 547 -3.329 -1.722 10.110 1.00 0.20 O ATOM 732 CB VAL A 547 -3.523 -2.146 7.187 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.100 -0.709 6.921 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.633 -2.915 5.883 1.00 0.14 C ATOM 0 H VAL A 547 -4.081 -4.255 8.466 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.586 -2.982 7.660 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.500 -2.112 7.669 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.810 -0.241 6.239 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -3.080 -0.156 7.860 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.106 -0.699 6.473 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.319 -2.398 5.212 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.650 -2.982 5.416 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.009 -3.918 6.083 1.00 0.14 H new ATOM 744 N THR A 548 -1.117 -1.732 9.729 1.00 0.20 N ATOM 745 CA THR A 548 -0.803 -0.899 10.876 1.00 0.23 C ATOM 746 C THR A 548 -0.600 0.555 10.475 1.00 0.23 C ATOM 747 O THR A 548 -0.989 1.468 11.201 1.00 0.27 O ATOM 748 CB THR A 548 0.457 -1.423 11.582 1.00 0.27 C ATOM 749 OG1 THR A 548 1.485 -1.651 10.609 1.00 0.26 O ATOM 750 CG2 THR A 548 0.164 -2.710 12.335 1.00 0.31 C ATOM 0 H THR A 548 -0.303 -2.046 9.200 1.00 0.20 H new ATOM 0 HA THR A 548 -1.651 -0.946 11.559 1.00 0.23 H new ATOM 0 HB THR A 548 0.789 -0.677 12.303 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.063 -0.862 10.553 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.073 -3.059 12.826 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.605 -2.526 13.085 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.186 -3.469 11.635 1.00 0.31 H new ATOM 758 N ASN A 549 -0.031 0.755 9.297 1.00 0.20 N ATOM 759 CA ASN A 549 0.197 2.095 8.769 1.00 0.21 C ATOM 760 C ASN A 549 -0.046 2.128 7.278 1.00 0.18 C ATOM 761 O ASN A 549 -0.046 1.098 6.605 1.00 0.20 O ATOM 762 CB ASN A 549 1.622 2.603 9.039 1.00 0.26 C ATOM 763 CG ASN A 549 1.868 3.046 10.462 1.00 0.40 C ATOM 764 OD1 ASN A 549 0.948 3.408 11.190 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.127 3.059 10.853 1.00 0.81 N ATOM 0 H ASN A 549 0.284 0.003 8.684 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.506 2.748 9.286 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.330 1.812 8.790 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.830 3.438 8.370 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.366 3.378 11.792 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.862 2.750 10.217 1.00 0.81 H new ATOM 772 N TYR A 550 -0.258 3.325 6.776 1.00 0.17 N ATOM 773 CA TYR A 550 -0.516 3.544 5.375 1.00 0.17 C ATOM 774 C TYR A 550 -0.247 5.003 5.044 1.00 0.17 C ATOM 775 O TYR A 550 -0.395 5.871 5.905 1.00 0.17 O ATOM 776 CB TYR A 550 -1.971 3.175 5.056 1.00 0.17 C ATOM 777 CG TYR A 550 -2.992 3.925 5.896 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.898 4.787 5.303 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.046 3.775 7.281 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.825 5.478 6.060 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.970 4.463 8.042 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.858 5.314 7.424 1.00 0.25 C ATOM 783 OH TYR A 550 -5.787 6.005 8.171 1.00 0.31 O ATOM 0 H TYR A 550 -0.256 4.178 7.335 1.00 0.17 H new ATOM 0 HA TYR A 550 0.139 2.916 4.771 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.164 3.375 4.002 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.106 2.104 5.207 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.880 4.922 4.232 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.351 3.107 7.768 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.524 6.147 5.580 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.996 4.334 9.114 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.591 6.159 7.632 1.00 0.31 H new ATOM 793 N ILE A 551 0.149 5.273 3.814 1.00 0.18 N ATOM 794 CA ILE A 551 0.409 6.632 3.372 1.00 0.16 C ATOM 795 C ILE A 551 -0.119 6.778 1.969 1.00 0.17 C ATOM 796 O ILE A 551 0.291 6.039 1.087 1.00 0.20 O ATOM 797 CB ILE A 551 1.920 6.940 3.330 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.561 6.748 4.706 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.165 8.353 2.819 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.062 6.907 4.697 1.00 0.20 C ATOM 0 H ILE A 551 0.299 4.563 3.097 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.072 7.315 4.072 1.00 0.16 H new ATOM 0 HB ILE A 551 2.386 6.236 2.640 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.131 7.468 5.402 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.311 5.755 5.080 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.237 8.551 2.797 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.757 8.452 1.813 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.677 9.069 3.481 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.450 6.758 5.705 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.502 6.169 4.026 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.320 7.909 4.354 1.00 0.20 H new ATOM 812 N LEU A 552 -1.027 7.697 1.745 1.00 0.16 N ATOM 813 CA LEU A 552 -1.536 7.882 0.407 1.00 0.19 C ATOM 814 C LEU A 552 -1.076 9.215 -0.128 1.00 0.19 C ATOM 815 O LEU A 552 -1.548 10.250 0.337 1.00 0.26 O ATOM 816 CB LEU A 552 -3.052 7.790 0.359 1.00 0.27 C ATOM 817 CG LEU A 552 -3.660 6.519 0.925 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.105 6.446 0.514 1.00 0.43 C ATOM 819 CD2 LEU A 552 -2.912 5.282 0.473 1.00 0.42 C ATOM 0 H LEU A 552 -1.422 8.316 2.453 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.143 7.079 -0.217 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.465 8.640 0.902 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.370 7.890 -0.679 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.584 6.551 2.012 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.552 5.536 0.915 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.638 7.314 0.902 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.174 6.435 -0.574 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.381 4.396 0.901 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -2.940 5.217 -0.615 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -1.876 5.341 0.807 1.00 0.42 H new ATOM 831 N MET A 553 -0.208 9.231 -1.118 1.00 0.18 N ATOM 832 CA MET A 553 0.298 10.501 -1.589 1.00 0.26 C ATOM 833 C MET A 553 -0.451 10.864 -2.852 1.00 0.26 C ATOM 834 O MET A 553 0.008 10.606 -3.970 1.00 0.25 O ATOM 835 CB MET A 553 1.806 10.445 -1.859 1.00 0.35 C ATOM 836 CG MET A 553 2.619 9.886 -0.701 1.00 0.56 C ATOM 837 SD MET A 553 2.776 8.092 -0.758 1.00 1.03 S ATOM 838 CE MET A 553 3.811 7.903 -2.207 1.00 0.80 C ATOM 0 H MET A 553 0.152 8.407 -1.599 1.00 0.18 H new ATOM 0 HA MET A 553 0.143 11.258 -0.820 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.984 9.834 -2.744 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.162 11.449 -2.088 1.00 0.35 H new ATOM 0 HG2 MET A 553 3.613 10.333 -0.712 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.149 10.175 0.239 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.178 6.878 -2.261 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.230 8.128 -3.101 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.657 8.588 -2.142 1.00 0.80 H new ATOM 848 N LYS A 554 -1.612 11.469 -2.644 1.00 0.32 N ATOM 849 CA LYS A 554 -2.489 11.892 -3.729 1.00 0.37 C ATOM 850 C LYS A 554 -1.756 12.745 -4.755 1.00 0.38 C ATOM 851 O LYS A 554 -2.084 12.717 -5.937 1.00 0.40 O ATOM 852 CB LYS A 554 -3.686 12.674 -3.165 1.00 0.47 C ATOM 853 CG LYS A 554 -4.147 12.220 -1.779 1.00 0.43 C ATOM 854 CD LYS A 554 -4.544 10.752 -1.749 1.00 0.37 C ATOM 855 CE LYS A 554 -4.992 10.312 -0.361 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.324 10.853 0.016 1.00 1.03 N ATOM 0 H LYS A 554 -1.974 11.682 -1.715 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.840 10.992 -4.234 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.423 13.731 -3.118 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.522 12.584 -3.859 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.347 12.391 -1.059 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.995 12.829 -1.464 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.350 10.579 -2.462 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.700 10.141 -2.068 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.024 9.223 -0.323 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.254 10.635 0.373 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.584 10.507 0.962 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.287 11.892 0.025 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -7.035 10.538 -0.675 1.00 1.03 H new ATOM 870 N SER A 555 -0.742 13.471 -4.316 1.00 0.40 N ATOM 871 CA SER A 555 -0.034 14.388 -5.183 1.00 0.44 C ATOM 872 C SER A 555 0.791 13.635 -6.230 1.00 0.38 C ATOM 873 O SER A 555 0.860 14.039 -7.393 1.00 0.38 O ATOM 874 CB SER A 555 0.862 15.280 -4.332 1.00 0.51 C ATOM 875 OG SER A 555 1.751 14.499 -3.553 1.00 0.50 O ATOM 0 H SER A 555 -0.392 13.440 -3.359 1.00 0.40 H new ATOM 0 HA SER A 555 -0.757 15.001 -5.720 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.429 15.953 -4.975 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.250 15.903 -3.680 1.00 0.51 H new ATOM 0 HG SER A 555 2.319 15.089 -3.015 1.00 0.50 H new ATOM 881 N THR A 556 1.404 12.531 -5.814 1.00 0.34 N ATOM 882 CA THR A 556 2.267 11.753 -6.694 1.00 0.32 C ATOM 883 C THR A 556 1.531 10.569 -7.311 1.00 0.27 C ATOM 884 O THR A 556 2.126 9.769 -8.032 1.00 0.28 O ATOM 885 CB THR A 556 3.488 11.215 -5.926 1.00 0.36 C ATOM 886 OG1 THR A 556 3.054 10.432 -4.804 1.00 0.34 O ATOM 887 CG2 THR A 556 4.374 12.349 -5.437 1.00 0.45 C ATOM 0 H THR A 556 1.318 12.155 -4.870 1.00 0.34 H new ATOM 0 HA THR A 556 2.588 12.427 -7.488 1.00 0.32 H new ATOM 0 HB THR A 556 4.067 10.594 -6.609 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.836 10.092 -4.321 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.228 11.937 -4.898 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.728 12.928 -6.290 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.803 12.996 -4.771 1.00 0.45 H new ATOM 895 N ASN A 557 0.234 10.471 -7.009 1.00 0.26 N ATOM 896 CA ASN A 557 -0.617 9.376 -7.494 1.00 0.26 C ATOM 897 C ASN A 557 -0.038 8.020 -7.088 1.00 0.21 C ATOM 898 O ASN A 557 -0.099 7.041 -7.839 1.00 0.25 O ATOM 899 CB ASN A 557 -0.789 9.441 -9.021 1.00 0.31 C ATOM 900 CG ASN A 557 -1.599 10.641 -9.494 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.381 10.541 -10.439 1.00 1.09 O ATOM 902 ND2 ASN A 557 -1.399 11.790 -8.869 1.00 1.28 N ATOM 0 H ASN A 557 -0.257 11.146 -6.423 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.598 9.491 -7.033 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.195 9.471 -9.488 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.276 8.527 -9.362 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.900 12.627 -9.167 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -0.744 11.839 -8.089 1.00 1.28 H new ATOM 909 N GLN A 558 0.506 7.975 -5.881 1.00 0.17 N ATOM 910 CA GLN A 558 1.167 6.783 -5.362 1.00 0.17 C ATOM 911 C GLN A 558 0.910 6.663 -3.874 1.00 0.16 C ATOM 912 O GLN A 558 0.433 7.614 -3.259 1.00 0.20 O ATOM 913 CB GLN A 558 2.667 6.853 -5.638 1.00 0.22 C ATOM 914 CG GLN A 558 3.008 6.764 -7.112 1.00 0.29 C ATOM 915 CD GLN A 558 4.464 7.046 -7.387 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.290 6.143 -7.347 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.780 8.295 -7.679 1.00 0.84 N ATOM 0 H GLN A 558 0.503 8.762 -5.233 1.00 0.17 H new ATOM 0 HA GLN A 558 0.763 5.903 -5.862 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.060 7.787 -5.236 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.166 6.042 -5.107 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.758 5.769 -7.480 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.393 7.472 -7.667 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.056 9.013 -7.700 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.748 8.542 -7.884 1.00 0.84 H new ATOM 926 N ALA A 559 1.205 5.508 -3.288 1.00 0.15 N ATOM 927 CA ALA A 559 0.909 5.293 -1.886 1.00 0.14 C ATOM 928 C ALA A 559 1.795 4.208 -1.259 1.00 0.14 C ATOM 929 O ALA A 559 2.464 3.445 -1.953 1.00 0.16 O ATOM 930 CB ALA A 559 -0.553 4.931 -1.745 1.00 0.15 C ATOM 0 H ALA A 559 1.644 4.717 -3.760 1.00 0.15 H new ATOM 0 HA ALA A 559 1.123 6.216 -1.347 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.787 4.767 -0.693 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.168 5.744 -2.131 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.759 4.021 -2.309 1.00 0.15 H new ATOM 936 N PHE A 560 1.807 4.187 0.064 1.00 0.14 N ATOM 937 CA PHE A 560 2.530 3.177 0.836 1.00 0.15 C ATOM 938 C PHE A 560 1.582 2.403 1.739 1.00 0.14 C ATOM 939 O PHE A 560 0.561 2.931 2.184 1.00 0.16 O ATOM 940 CB PHE A 560 3.628 3.804 1.700 1.00 0.16 C ATOM 941 CG PHE A 560 4.786 4.375 0.934 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.816 3.556 0.502 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.856 5.731 0.665 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.894 4.079 -0.184 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.931 6.259 -0.023 1.00 0.35 C ATOM 946 CZ PHE A 560 6.951 5.433 -0.447 1.00 0.30 C ATOM 0 H PHE A 560 1.315 4.871 0.639 1.00 0.14 H new ATOM 0 HA PHE A 560 2.989 2.500 0.115 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.186 4.595 2.306 1.00 0.16 H new ATOM 0 HB3 PHE A 560 4.004 3.048 2.389 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.775 2.496 0.704 1.00 0.26 H new ATOM 0 HD2 PHE A 560 4.062 6.383 0.997 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.691 3.430 -0.514 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.973 7.318 -0.229 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.793 5.845 -0.984 1.00 0.30 H new ATOM 956 N LEU A 561 1.940 1.159 2.019 1.00 0.14 N ATOM 957 CA LEU A 561 1.132 0.293 2.859 1.00 0.14 C ATOM 958 C LEU A 561 2.028 -0.482 3.828 1.00 0.16 C ATOM 959 O LEU A 561 2.932 -1.204 3.407 1.00 0.18 O ATOM 960 CB LEU A 561 0.331 -0.668 1.973 1.00 0.15 C ATOM 961 CG LEU A 561 -0.646 -1.596 2.697 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.674 -0.783 3.474 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.335 -2.519 1.695 1.00 0.20 C ATOM 0 H LEU A 561 2.795 0.724 1.671 1.00 0.14 H new ATOM 0 HA LEU A 561 0.438 0.895 3.446 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.230 -0.079 1.247 1.00 0.15 H new ATOM 0 HB3 LEU A 561 1.034 -1.282 1.410 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.089 -2.209 3.406 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.362 -1.458 3.984 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.165 -0.160 4.210 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.232 -0.148 2.785 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.028 -3.175 2.222 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.883 -1.921 0.967 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.586 -3.121 1.180 1.00 0.20 H new ATOM 975 N GLU A 562 1.791 -0.303 5.119 1.00 0.17 N ATOM 976 CA GLU A 562 2.567 -1.004 6.135 1.00 0.20 C ATOM 977 C GLU A 562 1.812 -2.224 6.630 1.00 0.18 C ATOM 978 O GLU A 562 0.622 -2.156 6.952 1.00 0.18 O ATOM 979 CB GLU A 562 2.894 -0.092 7.317 1.00 0.27 C ATOM 980 CG GLU A 562 3.916 -0.689 8.274 1.00 0.57 C ATOM 981 CD GLU A 562 4.179 0.181 9.486 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.947 1.159 9.365 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.614 -0.103 10.564 1.00 1.21 O ATOM 0 H GLU A 562 1.071 0.318 5.488 1.00 0.17 H new ATOM 0 HA GLU A 562 3.503 -1.318 5.673 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.272 0.858 6.940 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.977 0.124 7.865 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.566 -1.666 8.606 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.853 -0.850 7.741 1.00 0.57 H new ATOM 990 N MET A 563 2.521 -3.338 6.686 1.00 0.25 N ATOM 991 CA MET A 563 1.926 -4.615 7.021 1.00 0.23 C ATOM 992 C MET A 563 2.623 -5.204 8.240 1.00 0.27 C ATOM 993 O MET A 563 3.852 -5.199 8.325 1.00 0.39 O ATOM 994 CB MET A 563 2.042 -5.546 5.814 1.00 0.25 C ATOM 995 CG MET A 563 1.494 -4.922 4.538 1.00 0.25 C ATOM 996 SD MET A 563 1.940 -5.836 3.052 1.00 0.31 S ATOM 997 CE MET A 563 1.235 -4.786 1.782 1.00 0.25 C ATOM 0 H MET A 563 3.523 -3.380 6.501 1.00 0.25 H new ATOM 0 HA MET A 563 0.872 -4.488 7.267 1.00 0.23 H new ATOM 0 HB2 MET A 563 3.088 -5.811 5.664 1.00 0.25 H new ATOM 0 HB3 MET A 563 1.505 -6.472 6.021 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.408 -4.863 4.608 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.864 -3.900 4.453 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.351 -5.264 0.809 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.176 -4.630 1.986 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.749 -3.825 1.778 1.00 0.25 H new ATOM 1007 N ALA A 564 1.831 -5.715 9.174 1.00 0.28 N ATOM 1008 CA ALA A 564 2.336 -6.121 10.482 1.00 0.33 C ATOM 1009 C ALA A 564 3.126 -7.424 10.429 1.00 0.27 C ATOM 1010 O ALA A 564 3.863 -7.747 11.362 1.00 0.40 O ATOM 1011 CB ALA A 564 1.180 -6.252 11.461 1.00 0.50 C ATOM 0 H ALA A 564 0.829 -5.859 9.050 1.00 0.28 H new ATOM 0 HA ALA A 564 3.024 -5.345 10.818 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.561 -6.555 12.436 1.00 0.50 H new ATOM 0 HB2 ALA A 564 0.671 -5.293 11.553 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.478 -7.002 11.097 1.00 0.50 H new ATOM 1017 N TYR A 565 2.977 -8.174 9.349 1.00 0.27 N ATOM 1018 CA TYR A 565 3.625 -9.472 9.231 1.00 0.37 C ATOM 1019 C TYR A 565 4.191 -9.654 7.831 1.00 0.33 C ATOM 1020 O TYR A 565 3.639 -9.142 6.856 1.00 0.29 O ATOM 1021 CB TYR A 565 2.628 -10.594 9.540 1.00 0.55 C ATOM 1022 CG TYR A 565 2.100 -10.588 10.959 1.00 0.68 C ATOM 1023 CD1 TYR A 565 0.908 -9.947 11.274 1.00 0.75 C ATOM 1024 CD2 TYR A 565 2.788 -11.228 11.982 1.00 0.86 C ATOM 1025 CE1 TYR A 565 0.418 -9.943 12.564 1.00 0.90 C ATOM 1026 CE2 TYR A 565 2.303 -11.228 13.277 1.00 1.00 C ATOM 1027 CZ TYR A 565 1.118 -10.584 13.561 1.00 0.98 C ATOM 1028 OH TYR A 565 0.629 -10.580 14.847 1.00 1.15 O ATOM 0 H TYR A 565 2.414 -7.907 8.542 1.00 0.27 H new ATOM 0 HA TYR A 565 4.442 -9.517 9.951 1.00 0.37 H new ATOM 0 HB2 TYR A 565 1.786 -10.515 8.852 1.00 0.55 H new ATOM 0 HB3 TYR A 565 3.108 -11.553 9.348 1.00 0.55 H new ATOM 0 HD1 TYR A 565 0.355 -9.443 10.495 1.00 0.75 H new ATOM 0 HD2 TYR A 565 3.717 -11.734 11.762 1.00 0.86 H new ATOM 0 HE1 TYR A 565 -0.510 -9.439 12.790 1.00 0.90 H new ATOM 0 HE2 TYR A 565 2.850 -11.730 14.062 1.00 1.00 H new ATOM 0 HH TYR A 565 1.240 -11.077 15.431 1.00 1.15 H new ATOM 1038 N THR A 566 5.297 -10.389 7.744 1.00 0.39 N ATOM 1039 CA THR A 566 5.966 -10.642 6.474 1.00 0.40 C ATOM 1040 C THR A 566 5.067 -11.447 5.539 1.00 0.36 C ATOM 1041 O THR A 566 5.186 -11.358 4.315 1.00 0.35 O ATOM 1042 CB THR A 566 7.318 -11.376 6.680 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.059 -11.406 5.452 1.00 0.57 O ATOM 1044 CG2 THR A 566 7.114 -12.798 7.187 1.00 0.57 C ATOM 0 H THR A 566 5.751 -10.823 8.548 1.00 0.39 H new ATOM 0 HA THR A 566 6.173 -9.675 6.016 1.00 0.40 H new ATOM 0 HB THR A 566 7.879 -10.823 7.433 1.00 0.51 H new ATOM 0 HG1 THR A 566 8.910 -11.870 5.595 1.00 0.57 H new ATOM 0 HG21 THR A 566 8.083 -13.280 7.319 1.00 0.57 H new ATOM 0 HG22 THR A 566 6.589 -12.772 8.142 1.00 0.57 H new ATOM 0 HG23 THR A 566 6.524 -13.361 6.464 1.00 0.57 H new ATOM 1052 N GLU A 567 4.175 -12.235 6.136 1.00 0.38 N ATOM 1053 CA GLU A 567 3.197 -13.015 5.386 1.00 0.40 C ATOM 1054 C GLU A 567 2.354 -12.113 4.486 1.00 0.31 C ATOM 1055 O GLU A 567 1.968 -12.505 3.386 1.00 0.32 O ATOM 1056 CB GLU A 567 2.274 -13.774 6.345 1.00 0.49 C ATOM 1057 CG GLU A 567 1.393 -12.860 7.190 1.00 0.55 C ATOM 1058 CD GLU A 567 0.325 -13.609 7.953 1.00 0.71 C ATOM 1059 OE1 GLU A 567 0.585 -14.040 9.092 1.00 0.89 O ATOM 1060 OE2 GLU A 567 -0.792 -13.758 7.418 1.00 0.84 O ATOM 0 H GLU A 567 4.111 -12.349 7.148 1.00 0.38 H new ATOM 0 HA GLU A 567 3.742 -13.725 4.765 1.00 0.40 H new ATOM 0 HB2 GLU A 567 1.639 -14.447 5.769 1.00 0.49 H new ATOM 0 HB3 GLU A 567 2.880 -14.394 7.006 1.00 0.49 H new ATOM 0 HG2 GLU A 567 2.018 -12.312 7.895 1.00 0.55 H new ATOM 0 HG3 GLU A 567 0.919 -12.122 6.543 1.00 0.55 H new ATOM 1067 N ALA A 568 2.091 -10.902 4.960 1.00 0.26 N ATOM 1068 CA ALA A 568 1.176 -10.002 4.285 1.00 0.24 C ATOM 1069 C ALA A 568 1.799 -9.413 3.029 1.00 0.21 C ATOM 1070 O ALA A 568 1.180 -9.409 1.968 1.00 0.22 O ATOM 1071 CB ALA A 568 0.743 -8.899 5.234 1.00 0.25 C ATOM 0 H ALA A 568 2.502 -10.523 5.813 1.00 0.26 H new ATOM 0 HA ALA A 568 0.300 -10.574 3.978 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.056 -8.226 4.721 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.244 -9.338 6.098 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.618 -8.340 5.566 1.00 0.25 H new ATOM 1077 N ALA A 569 3.044 -8.956 3.140 1.00 0.19 N ATOM 1078 CA ALA A 569 3.708 -8.300 2.026 1.00 0.21 C ATOM 1079 C ALA A 569 3.928 -9.264 0.872 1.00 0.22 C ATOM 1080 O ALA A 569 3.650 -8.935 -0.280 1.00 0.24 O ATOM 1081 CB ALA A 569 5.028 -7.697 2.481 1.00 0.23 C ATOM 0 H ALA A 569 3.608 -9.029 3.987 1.00 0.19 H new ATOM 0 HA ALA A 569 3.061 -7.498 1.670 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.515 -7.209 1.637 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.842 -6.964 3.266 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.674 -8.485 2.867 1.00 0.23 H new ATOM 1087 N GLN A 570 4.393 -10.466 1.184 1.00 0.24 N ATOM 1088 CA GLN A 570 4.651 -11.462 0.156 1.00 0.28 C ATOM 1089 C GLN A 570 3.349 -11.944 -0.483 1.00 0.27 C ATOM 1090 O GLN A 570 3.303 -12.200 -1.685 1.00 0.29 O ATOM 1091 CB GLN A 570 5.445 -12.648 0.719 1.00 0.34 C ATOM 1092 CG GLN A 570 4.727 -13.415 1.818 1.00 0.38 C ATOM 1093 CD GLN A 570 5.533 -14.594 2.328 1.00 0.51 C ATOM 1094 OE1 GLN A 570 6.765 -14.570 2.329 1.00 1.24 O ATOM 1095 NE2 GLN A 570 4.846 -15.637 2.761 1.00 1.04 N ATOM 0 H GLN A 570 4.598 -10.773 2.135 1.00 0.24 H new ATOM 0 HA GLN A 570 5.254 -10.986 -0.617 1.00 0.28 H new ATOM 0 HB2 GLN A 570 5.677 -13.334 -0.095 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.395 -12.282 1.108 1.00 0.34 H new ATOM 0 HG2 GLN A 570 4.513 -12.740 2.647 1.00 0.38 H new ATOM 0 HG3 GLN A 570 3.768 -13.771 1.441 1.00 0.38 H new ATOM 0 HE21 GLN A 570 3.826 -15.619 2.744 1.00 1.04 H new ATOM 0 HE22 GLN A 570 5.336 -16.460 3.112 1.00 1.04 H new ATOM 1104 N ALA A 571 2.290 -12.058 0.316 1.00 0.26 N ATOM 1105 CA ALA A 571 1.004 -12.522 -0.186 1.00 0.27 C ATOM 1106 C ALA A 571 0.415 -11.534 -1.182 1.00 0.25 C ATOM 1107 O ALA A 571 -0.053 -11.923 -2.255 1.00 0.27 O ATOM 1108 CB ALA A 571 0.034 -12.738 0.964 1.00 0.31 C ATOM 0 H ALA A 571 2.300 -11.835 1.311 1.00 0.26 H new ATOM 0 HA ALA A 571 1.167 -13.470 -0.699 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.923 -13.085 0.573 1.00 0.31 H new ATOM 0 HB2 ALA A 571 0.439 -13.485 1.646 1.00 0.31 H new ATOM 0 HB3 ALA A 571 -0.111 -11.799 1.499 1.00 0.31 H new ATOM 1114 N MET A 572 0.447 -10.256 -0.829 1.00 0.25 N ATOM 1115 CA MET A 572 -0.144 -9.227 -1.671 1.00 0.28 C ATOM 1116 C MET A 572 0.644 -9.049 -2.956 1.00 0.24 C ATOM 1117 O MET A 572 0.064 -9.038 -4.037 1.00 0.24 O ATOM 1118 CB MET A 572 -0.242 -7.894 -0.931 1.00 0.37 C ATOM 1119 CG MET A 572 -0.955 -8.004 0.398 1.00 0.47 C ATOM 1120 SD MET A 572 -1.407 -6.412 1.093 1.00 0.36 S ATOM 1121 CE MET A 572 -1.347 -6.812 2.836 1.00 0.33 C ATOM 0 H MET A 572 0.874 -9.909 0.030 1.00 0.25 H new ATOM 0 HA MET A 572 -1.151 -9.558 -1.924 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.762 -7.502 -0.767 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.766 -7.174 -1.559 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.855 -8.606 0.271 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.314 -8.532 1.104 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.445 -5.898 3.423 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.164 -7.491 3.082 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.396 -7.291 3.067 1.00 0.33 H new ATOM 1131 N VAL A 573 1.964 -8.942 -2.847 1.00 0.24 N ATOM 1132 CA VAL A 573 2.794 -8.713 -4.022 1.00 0.27 C ATOM 1133 C VAL A 573 2.600 -9.830 -5.040 1.00 0.25 C ATOM 1134 O VAL A 573 2.340 -9.564 -6.204 1.00 0.28 O ATOM 1135 CB VAL A 573 4.292 -8.584 -3.659 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.150 -8.478 -4.912 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.522 -7.375 -2.765 1.00 0.32 C ATOM 0 H VAL A 573 2.477 -9.009 -1.968 1.00 0.24 H new ATOM 0 HA VAL A 573 2.476 -7.767 -4.460 1.00 0.27 H new ATOM 0 HB VAL A 573 4.584 -9.484 -3.118 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.199 -8.388 -4.628 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.014 -9.371 -5.523 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.852 -7.599 -5.484 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.581 -7.300 -2.520 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.205 -6.472 -3.286 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.944 -7.486 -1.847 1.00 0.32 H new ATOM 1147 N GLN A 574 2.648 -11.078 -4.586 1.00 0.23 N ATOM 1148 CA GLN A 574 2.470 -12.216 -5.487 1.00 0.25 C ATOM 1149 C GLN A 574 1.093 -12.181 -6.140 1.00 0.23 C ATOM 1150 O GLN A 574 0.945 -12.506 -7.320 1.00 0.26 O ATOM 1151 CB GLN A 574 2.648 -13.534 -4.734 1.00 0.28 C ATOM 1152 CG GLN A 574 4.064 -13.771 -4.236 1.00 0.33 C ATOM 1153 CD GLN A 574 4.191 -15.064 -3.460 1.00 1.30 C ATOM 1154 OE1 GLN A 574 4.476 -16.118 -4.027 1.00 2.04 O ATOM 1155 NE2 GLN A 574 3.973 -14.994 -2.159 1.00 2.09 N ATOM 0 H GLN A 574 2.807 -11.328 -3.610 1.00 0.23 H new ATOM 0 HA GLN A 574 3.230 -12.146 -6.265 1.00 0.25 H new ATOM 0 HB2 GLN A 574 1.966 -13.550 -3.883 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.361 -14.357 -5.388 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.747 -13.791 -5.085 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.368 -12.938 -3.602 1.00 0.33 H new ATOM 0 HE21 GLN A 574 3.739 -14.099 -1.728 1.00 2.09 H new ATOM 0 HE22 GLN A 574 4.039 -15.835 -1.585 1.00 2.09 H new ATOM 1164 N TYR A 575 0.094 -11.775 -5.371 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.270 -11.717 -5.873 1.00 0.20 C ATOM 1166 C TYR A 575 -1.419 -10.613 -6.918 1.00 0.20 C ATOM 1167 O TYR A 575 -1.861 -10.868 -8.032 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.256 -11.494 -4.721 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.694 -11.336 -5.167 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.290 -10.082 -5.215 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.453 -12.436 -5.546 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.600 -9.929 -5.626 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.766 -12.290 -5.958 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.334 -11.034 -5.996 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.640 -10.881 -6.408 1.00 0.48 O ATOM 0 H TYR A 575 0.202 -11.482 -4.400 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.497 -12.671 -6.348 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -2.190 -12.335 -4.031 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.958 -10.604 -4.167 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.719 -9.212 -4.926 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -4.011 -13.421 -5.519 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.047 -8.946 -5.657 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.343 -13.156 -6.248 1.00 0.40 H new ATOM 0 HH TYR A 575 -8.016 -11.757 -6.635 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.017 -9.399 -6.560 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.207 -8.242 -7.430 1.00 0.25 C ATOM 1187 C TYR A 576 -0.216 -8.204 -8.595 1.00 0.30 C ATOM 1188 O TYR A 576 -0.410 -7.447 -9.545 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.148 -6.945 -6.615 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.251 -6.851 -5.578 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.566 -6.605 -5.953 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.980 -7.022 -4.228 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.575 -6.535 -5.009 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.982 -6.951 -3.280 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.277 -6.708 -3.675 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.278 -6.649 -2.733 1.00 0.35 O ATOM 0 H TYR A 576 -0.557 -9.189 -5.674 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.198 -8.337 -7.874 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.181 -6.878 -6.117 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.218 -6.093 -7.291 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.804 -6.466 -6.997 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.965 -7.214 -3.912 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.593 -6.345 -5.317 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.750 -7.086 -2.234 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.892 -6.434 -1.858 1.00 0.35 H new ATOM 1206 N GLN A 577 0.843 -9.003 -8.530 1.00 0.31 N ATOM 1207 CA GLN A 577 1.740 -9.141 -9.676 1.00 0.38 C ATOM 1208 C GLN A 577 1.029 -9.872 -10.808 1.00 0.37 C ATOM 1209 O GLN A 577 1.116 -9.474 -11.971 1.00 0.42 O ATOM 1210 CB GLN A 577 3.018 -9.898 -9.300 1.00 0.45 C ATOM 1211 CG GLN A 577 4.008 -9.084 -8.482 1.00 0.52 C ATOM 1212 CD GLN A 577 4.842 -8.144 -9.328 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.460 -7.002 -9.581 1.00 1.89 O ATOM 1214 NE2 GLN A 577 6.004 -8.615 -9.754 1.00 1.57 N ATOM 0 H GLN A 577 1.100 -9.557 -7.713 1.00 0.31 H new ATOM 0 HA GLN A 577 2.020 -8.139 -10.002 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.746 -10.790 -8.736 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.509 -10.235 -10.213 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.465 -8.506 -7.734 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.669 -9.762 -7.942 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.284 -9.568 -9.522 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.619 -8.025 -10.314 1.00 1.57 H new ATOM 1223 N GLU A 578 0.317 -10.935 -10.458 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.418 -11.715 -11.445 1.00 0.38 C ATOM 1225 C GLU A 578 -1.827 -11.172 -11.659 1.00 0.33 C ATOM 1226 O GLU A 578 -2.328 -11.156 -12.786 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.489 -13.183 -11.019 1.00 0.42 C ATOM 1228 CG GLU A 578 0.864 -13.872 -10.977 1.00 0.52 C ATOM 1229 CD GLU A 578 1.600 -13.792 -12.299 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.580 -13.025 -12.395 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.200 -14.496 -13.250 1.00 1.31 O ATOM 0 H GLU A 578 0.233 -11.276 -9.501 1.00 0.35 H new ATOM 0 HA GLU A 578 0.121 -11.636 -12.389 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -0.949 -13.244 -10.033 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.140 -13.721 -11.708 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.475 -13.417 -10.197 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.726 -14.918 -10.705 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.461 -10.717 -10.590 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.824 -10.216 -10.651 1.00 0.28 C ATOM 1240 C LYS A 579 -3.899 -8.873 -9.942 1.00 0.25 C ATOM 1241 O LYS A 579 -4.274 -8.795 -8.770 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.786 -11.202 -9.981 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.798 -12.583 -10.611 1.00 0.42 C ATOM 1244 CD LYS A 579 -5.624 -13.555 -9.786 1.00 0.69 C ATOM 1245 CE LYS A 579 -5.631 -14.944 -10.397 1.00 1.69 C ATOM 1246 NZ LYS A 579 -6.379 -14.983 -11.681 1.00 2.46 N ATOM 0 H LYS A 579 -2.046 -10.685 -9.659 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.112 -10.100 -11.696 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.517 -11.297 -8.929 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.794 -10.790 -10.016 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.204 -12.522 -11.621 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -3.777 -12.954 -10.700 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.224 -13.605 -8.773 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.647 -13.187 -9.706 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -4.605 -15.272 -10.565 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -6.079 -15.647 -9.695 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -6.476 -15.969 -11.996 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -7.323 -14.568 -11.546 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -5.862 -14.439 -12.401 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.526 -7.799 -10.640 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.490 -6.459 -10.065 1.00 0.25 C ATOM 1262 C PRO A 580 -4.888 -5.942 -9.744 1.00 0.22 C ATOM 1263 O PRO A 580 -5.885 -6.447 -10.271 1.00 0.22 O ATOM 1264 CB PRO A 580 -2.825 -5.600 -11.149 1.00 0.27 C ATOM 1265 CG PRO A 580 -2.305 -6.553 -12.175 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.125 -7.801 -12.051 1.00 0.32 C ATOM 0 HA PRO A 580 -2.950 -6.438 -9.119 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.541 -4.906 -11.590 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.017 -5.001 -10.729 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -2.391 -6.130 -13.176 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -1.249 -6.765 -12.008 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.989 -7.783 -12.715 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.547 -8.690 -12.304 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.960 -4.932 -8.889 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.243 -4.404 -8.452 1.00 0.22 C ATOM 1276 C ALA A 581 -6.686 -3.283 -9.371 1.00 0.20 C ATOM 1277 O ALA A 581 -5.886 -2.444 -9.765 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.149 -3.898 -7.023 1.00 0.27 C ATOM 0 H ALA A 581 -4.148 -4.464 -8.486 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.980 -5.206 -8.491 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.117 -3.506 -6.711 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.860 -4.718 -6.365 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.402 -3.106 -6.966 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.956 -3.289 -9.727 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.479 -2.326 -10.677 1.00 0.26 C ATOM 1286 C ILE A 582 -9.205 -1.192 -9.974 1.00 0.28 C ATOM 1287 O ILE A 582 -10.161 -1.417 -9.230 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.450 -2.992 -11.670 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.769 -4.168 -12.375 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.947 -1.973 -12.687 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.693 -4.949 -13.285 1.00 0.51 C ATOM 0 H ILE A 582 -8.646 -3.951 -9.372 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.622 -1.925 -11.219 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.308 -3.374 -11.116 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.929 -3.793 -12.960 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.358 -4.842 -11.624 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.632 -2.458 -13.382 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.466 -1.166 -12.170 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -9.099 -1.565 -13.238 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.141 -5.766 -13.750 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.520 -5.355 -12.702 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.084 -4.289 -14.059 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.735 0.022 -10.199 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.448 1.209 -9.765 1.00 0.33 C ATOM 1305 C ILE A 583 -9.639 2.150 -10.940 1.00 0.36 C ATOM 1306 O ILE A 583 -8.668 2.692 -11.469 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.731 1.940 -8.626 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.772 1.071 -7.370 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.379 3.298 -8.383 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -8.504 1.833 -6.102 1.00 0.51 C ATOM 0 H ILE A 583 -7.857 0.212 -10.683 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.416 0.885 -9.382 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.689 2.116 -8.895 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -9.750 0.596 -7.299 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.036 0.272 -7.467 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.861 3.808 -7.571 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.314 3.900 -9.290 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.426 3.159 -8.114 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -8.549 1.152 -5.252 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -7.514 2.286 -6.152 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -9.254 2.614 -5.981 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.890 2.312 -11.366 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.224 3.171 -12.504 1.00 0.47 C ATOM 1324 C ASN A 584 -10.480 2.721 -13.753 1.00 0.45 C ATOM 1325 O ASN A 584 -10.079 3.533 -14.590 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.927 4.646 -12.207 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.846 5.223 -11.150 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.967 4.751 -10.960 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.393 6.262 -10.473 1.00 0.91 N ATOM 0 H ASN A 584 -11.696 1.857 -10.937 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.296 3.077 -12.681 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.893 4.746 -11.878 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.026 5.225 -13.125 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.978 6.703 -9.763 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.458 6.624 -10.660 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.295 1.414 -13.863 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.641 0.843 -15.020 1.00 0.44 C ATOM 1338 C GLY A 585 -8.127 0.835 -14.919 1.00 0.39 C ATOM 1339 O GLY A 585 -7.444 0.444 -15.865 1.00 0.42 O ATOM 0 H GLY A 585 -10.590 0.733 -13.163 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -9.993 -0.179 -15.158 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.935 1.404 -15.907 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.594 1.256 -13.780 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.151 1.277 -13.592 1.00 0.32 C ATOM 1345 C GLU A 586 -5.684 0.082 -12.770 1.00 0.24 C ATOM 1346 O GLU A 586 -6.211 -0.187 -11.690 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.716 2.573 -12.906 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.890 3.812 -13.769 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.087 3.741 -15.053 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.854 3.566 -14.976 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.685 3.869 -16.146 1.00 1.79 O ATOM 0 H GLU A 586 -8.134 1.585 -12.979 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.691 1.221 -14.579 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.290 2.698 -11.988 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.668 2.487 -12.618 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -6.945 3.938 -14.011 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.586 4.692 -13.202 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.719 -0.647 -13.320 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.079 -1.755 -12.618 1.00 0.19 C ATOM 1360 C LYS A 587 -3.145 -1.228 -11.535 1.00 0.17 C ATOM 1361 O LYS A 587 -2.120 -0.612 -11.837 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.269 -2.617 -13.594 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.024 -3.045 -14.843 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.231 -3.907 -14.515 1.00 1.14 C ATOM 1365 CE LYS A 587 -5.857 -4.470 -15.780 1.00 1.10 C ATOM 1366 NZ LYS A 587 -7.110 -5.219 -15.505 1.00 1.67 N ATOM 0 H LYS A 587 -4.359 -0.488 -14.261 1.00 0.21 H new ATOM 0 HA LYS A 587 -4.863 -2.361 -12.164 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.380 -2.062 -13.896 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -2.926 -3.509 -13.070 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.349 -2.160 -15.390 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.353 -3.598 -15.500 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -4.932 -4.724 -13.858 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -5.968 -3.316 -13.972 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.068 -3.655 -16.472 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.143 -5.130 -16.273 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.399 -5.738 -16.359 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -6.949 -5.892 -14.729 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -7.861 -4.552 -15.234 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.494 -1.466 -10.281 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.670 -1.040 -9.163 1.00 0.15 C ATOM 1382 C LEU A 588 -1.503 -1.994 -8.972 1.00 0.17 C ATOM 1383 O LEU A 588 -1.671 -3.214 -9.024 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.495 -0.980 -7.880 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.778 -0.154 -7.965 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.459 -0.100 -6.610 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.487 1.244 -8.476 1.00 0.16 C ATOM 0 H LEU A 588 -4.348 -1.955 -10.012 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.287 -0.044 -9.385 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.756 -1.997 -7.588 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.871 -0.571 -7.085 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.452 -0.636 -8.673 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.372 0.491 -6.685 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.707 -1.111 -6.287 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.788 0.358 -5.884 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.415 1.813 -8.528 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.794 1.742 -7.798 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.043 1.183 -9.469 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.330 -1.434 -8.746 1.00 0.17 N ATOM 1400 CA LEU A 589 0.876 -2.230 -8.604 1.00 0.19 C ATOM 1401 C LEU A 589 1.409 -2.151 -7.177 1.00 0.18 C ATOM 1402 O LEU A 589 1.833 -1.083 -6.725 1.00 0.18 O ATOM 1403 CB LEU A 589 1.937 -1.757 -9.599 1.00 0.23 C ATOM 1404 CG LEU A 589 3.205 -2.608 -9.658 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.879 -4.007 -10.149 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.240 -1.957 -10.558 1.00 0.38 C ATOM 0 H LEU A 589 -0.186 -0.428 -8.656 1.00 0.17 H new ATOM 0 HA LEU A 589 0.633 -3.271 -8.818 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.492 -1.729 -10.593 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.217 -0.734 -9.347 1.00 0.23 H new ATOM 0 HG LEU A 589 3.620 -2.681 -8.653 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.792 -4.602 -10.186 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.168 -4.475 -9.468 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.443 -3.950 -11.146 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.137 -2.576 -10.589 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.835 -1.856 -11.565 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.493 -0.971 -10.168 1.00 0.38 H new ATOM 1418 N ILE A 590 1.361 -3.268 -6.462 1.00 0.18 N ATOM 1419 CA ILE A 590 1.914 -3.334 -5.114 1.00 0.18 C ATOM 1420 C ILE A 590 3.251 -4.072 -5.130 1.00 0.20 C ATOM 1421 O ILE A 590 3.315 -5.246 -5.493 1.00 0.26 O ATOM 1422 CB ILE A 590 0.953 -4.039 -4.127 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.407 -3.331 -4.108 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.558 -4.081 -2.729 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.347 -3.810 -3.015 1.00 0.21 C ATOM 0 H ILE A 590 0.946 -4.139 -6.792 1.00 0.18 H new ATOM 0 HA ILE A 590 2.057 -2.309 -4.773 1.00 0.18 H new ATOM 0 HB ILE A 590 0.802 -5.065 -4.464 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.244 -2.260 -3.987 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.891 -3.473 -5.075 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.868 -4.580 -2.049 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.500 -4.628 -2.757 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.739 -3.064 -2.380 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.285 -3.257 -3.074 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.544 -4.874 -3.145 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.888 -3.643 -2.041 1.00 0.21 H new ATOM 1437 N ARG A 591 4.311 -3.376 -4.735 1.00 0.18 N ATOM 1438 CA ARG A 591 5.659 -3.937 -4.730 1.00 0.22 C ATOM 1439 C ARG A 591 6.458 -3.352 -3.574 1.00 0.18 C ATOM 1440 O ARG A 591 6.067 -2.348 -2.986 1.00 0.19 O ATOM 1441 CB ARG A 591 6.386 -3.643 -6.047 1.00 0.33 C ATOM 1442 CG ARG A 591 5.859 -4.426 -7.238 1.00 0.45 C ATOM 1443 CD ARG A 591 6.683 -4.152 -8.483 1.00 0.65 C ATOM 1444 NE ARG A 591 6.206 -4.911 -9.636 1.00 1.33 N ATOM 1445 CZ ARG A 591 6.683 -4.770 -10.872 1.00 1.69 C ATOM 1446 NH1 ARG A 591 7.669 -3.914 -11.118 1.00 1.56 N ATOM 1447 NH2 ARG A 591 6.178 -5.490 -11.862 1.00 2.62 N ATOM 0 H ARG A 591 4.262 -2.410 -4.410 1.00 0.18 H new ATOM 0 HA ARG A 591 5.574 -5.017 -4.614 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.306 -2.578 -6.263 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.446 -3.864 -5.921 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.879 -5.492 -7.013 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.818 -4.158 -7.421 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.650 -3.087 -8.712 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.726 -4.404 -8.290 1.00 0.65 H new ATOM 0 HE ARG A 591 5.461 -5.591 -9.486 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.065 -3.360 -10.358 1.00 1.56 H new ATOM 0 HH12 ARG A 591 8.030 -3.811 -12.066 1.00 1.56 H new ATOM 0 HH21 ARG A 591 5.424 -6.152 -11.678 1.00 2.62 H new ATOM 0 HH22 ARG A 591 6.543 -5.382 -12.808 1.00 2.62 H new ATOM 1461 N MET A 592 7.577 -3.979 -3.253 1.00 0.17 N ATOM 1462 CA MET A 592 8.408 -3.530 -2.143 1.00 0.18 C ATOM 1463 C MET A 592 9.332 -2.404 -2.601 1.00 0.21 C ATOM 1464 O MET A 592 9.826 -2.418 -3.730 1.00 0.29 O ATOM 1465 CB MET A 592 9.210 -4.696 -1.576 1.00 0.19 C ATOM 1466 CG MET A 592 8.336 -5.839 -1.086 1.00 0.22 C ATOM 1467 SD MET A 592 9.288 -7.191 -0.375 1.00 0.29 S ATOM 1468 CE MET A 592 7.984 -8.373 -0.039 1.00 0.34 C ATOM 0 H MET A 592 7.933 -4.800 -3.743 1.00 0.17 H new ATOM 0 HA MET A 592 7.764 -3.145 -1.352 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.889 -5.069 -2.343 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.826 -4.338 -0.751 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.637 -5.461 -0.340 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.741 -6.218 -1.917 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.401 -9.380 -0.025 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.534 -8.153 0.929 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.223 -8.306 -0.816 1.00 0.34 H new ATOM 1478 N SER A 593 9.555 -1.430 -1.729 1.00 0.23 N ATOM 1479 CA SER A 593 10.347 -0.259 -2.081 1.00 0.26 C ATOM 1480 C SER A 593 11.839 -0.487 -1.858 1.00 0.25 C ATOM 1481 O SER A 593 12.251 -1.124 -0.886 1.00 0.27 O ATOM 1482 CB SER A 593 9.883 0.949 -1.280 1.00 0.34 C ATOM 1483 OG SER A 593 8.523 1.244 -1.545 1.00 1.37 O ATOM 0 H SER A 593 9.199 -1.427 -0.773 1.00 0.23 H new ATOM 0 HA SER A 593 10.196 -0.073 -3.144 1.00 0.26 H new ATOM 0 HB2 SER A 593 10.016 0.756 -0.215 1.00 0.34 H new ATOM 0 HB3 SER A 593 10.501 1.812 -1.527 1.00 0.34 H new ATOM 0 HG SER A 593 8.453 2.138 -1.940 1.00 1.37 H new ATOM 1489 N THR A 594 12.631 0.042 -2.778 1.00 0.27 N ATOM 1490 CA THR A 594 14.077 -0.102 -2.742 1.00 0.30 C ATOM 1491 C THR A 594 14.758 1.048 -1.994 1.00 0.31 C ATOM 1492 O THR A 594 15.910 0.928 -1.574 1.00 0.33 O ATOM 1493 CB THR A 594 14.650 -0.196 -4.166 1.00 0.35 C ATOM 1494 OG1 THR A 594 14.101 0.846 -4.984 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.341 -1.549 -4.785 1.00 0.38 C ATOM 0 H THR A 594 12.288 0.584 -3.571 1.00 0.27 H new ATOM 0 HA THR A 594 14.285 -1.025 -2.201 1.00 0.30 H new ATOM 0 HB THR A 594 15.732 -0.080 -4.108 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.471 0.781 -5.889 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.756 -1.592 -5.792 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.784 -2.337 -4.176 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.261 -1.690 -4.832 1.00 0.38 H new ATOM 1503 N ARG A 595 14.044 2.152 -1.797 1.00 0.32 N ATOM 1504 CA ARG A 595 14.678 3.358 -1.268 1.00 0.37 C ATOM 1505 C ARG A 595 14.391 3.552 0.215 1.00 0.37 C ATOM 1506 O ARG A 595 15.233 4.057 0.957 1.00 0.41 O ATOM 1507 CB ARG A 595 14.203 4.590 -2.033 1.00 0.41 C ATOM 1508 CG ARG A 595 14.712 4.667 -3.458 1.00 0.46 C ATOM 1509 CD ARG A 595 14.181 5.905 -4.158 1.00 0.56 C ATOM 1510 NE ARG A 595 14.427 7.118 -3.379 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.919 8.311 -3.677 1.00 1.67 C ATOM 1512 NH1 ARG A 595 13.168 8.467 -4.761 1.00 1.16 N ATOM 1513 NH2 ARG A 595 14.166 9.348 -2.889 1.00 2.75 N ATOM 0 H ARG A 595 13.046 2.239 -1.990 1.00 0.32 H new ATOM 0 HA ARG A 595 15.753 3.232 -1.395 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.113 4.598 -2.047 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.522 5.483 -1.496 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.802 4.684 -3.458 1.00 0.46 H new ATOM 0 HG3 ARG A 595 14.407 3.776 -4.006 1.00 0.46 H new ATOM 0 HD2 ARG A 595 14.652 6.000 -5.136 1.00 0.56 H new ATOM 0 HD3 ARG A 595 13.110 5.794 -4.330 1.00 0.56 H new ATOM 0 HE ARG A 595 15.025 7.045 -2.556 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.978 7.670 -5.369 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.781 9.383 -4.985 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.744 9.230 -2.057 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.778 10.264 -3.115 1.00 2.75 H new ATOM 1527 N TYR A 596 13.227 3.111 0.657 1.00 0.35 N ATOM 1528 CA TYR A 596 12.824 3.324 2.038 1.00 0.37 C ATOM 1529 C TYR A 596 12.697 2.016 2.789 1.00 0.35 C ATOM 1530 O TYR A 596 12.227 1.015 2.248 1.00 0.36 O ATOM 1531 CB TYR A 596 11.513 4.110 2.102 1.00 0.39 C ATOM 1532 CG TYR A 596 11.683 5.578 1.782 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.582 6.046 0.478 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.954 6.494 2.789 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.750 7.387 0.189 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.120 7.835 2.508 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.018 8.277 1.206 1.00 0.56 C ATOM 1538 OH TYR A 596 12.184 9.614 0.920 1.00 0.65 O ATOM 0 H TYR A 596 12.548 2.607 0.086 1.00 0.35 H new ATOM 0 HA TYR A 596 13.606 3.909 2.523 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.800 3.673 1.403 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.085 4.009 3.099 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.369 5.352 -0.322 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.036 6.151 3.810 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.672 7.736 -0.830 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.329 8.535 3.304 1.00 0.61 H new ATOM 0 HH TYR A 596 11.341 9.983 0.582 1.00 0.65 H new ATOM 1548 N LYS A 597 13.163 2.031 4.030 1.00 0.38 N ATOM 1549 CA LYS A 597 13.072 0.877 4.909 1.00 0.41 C ATOM 1550 C LYS A 597 12.055 1.128 6.011 1.00 0.41 C ATOM 1551 O LYS A 597 11.728 0.231 6.775 1.00 0.48 O ATOM 1552 CB LYS A 597 14.432 0.548 5.538 1.00 0.50 C ATOM 1553 CG LYS A 597 15.490 0.095 4.541 1.00 0.62 C ATOM 1554 CD LYS A 597 16.026 1.255 3.714 1.00 1.29 C ATOM 1555 CE LYS A 597 16.924 0.771 2.592 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.437 1.890 1.757 1.00 2.18 N ATOM 0 H LYS A 597 13.614 2.842 4.454 1.00 0.38 H new ATOM 0 HA LYS A 597 12.752 0.028 4.305 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.799 1.429 6.064 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.294 -0.234 6.285 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.313 -0.380 5.076 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.064 -0.658 3.877 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.193 1.821 3.296 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.582 1.936 4.358 1.00 1.29 H new ATOM 0 HE2 LYS A 597 17.765 0.221 3.014 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.371 0.074 1.962 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.149 1.528 1.091 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.651 2.315 1.225 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.870 2.610 2.370 1.00 2.18 H new ATOM 1570 N GLU A 598 11.560 2.354 6.094 1.00 0.38 N ATOM 1571 CA GLU A 598 10.654 2.724 7.165 1.00 0.41 C ATOM 1572 C GLU A 598 9.581 3.681 6.661 1.00 0.34 C ATOM 1573 O GLU A 598 9.801 4.439 5.715 1.00 0.33 O ATOM 1574 CB GLU A 598 11.449 3.374 8.299 1.00 0.55 C ATOM 1575 CG GLU A 598 10.622 3.732 9.521 1.00 0.62 C ATOM 1576 CD GLU A 598 11.444 4.435 10.577 1.00 0.80 C ATOM 1577 OE1 GLU A 598 12.072 3.741 11.407 1.00 0.95 O ATOM 1578 OE2 GLU A 598 11.474 5.684 10.578 1.00 0.91 O ATOM 0 H GLU A 598 11.770 3.104 5.435 1.00 0.38 H new ATOM 0 HA GLU A 598 10.159 1.826 7.534 1.00 0.41 H new ATOM 0 HB2 GLU A 598 12.247 2.696 8.602 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.925 4.278 7.920 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.792 4.373 9.222 1.00 0.62 H new ATOM 0 HG3 GLU A 598 10.189 2.825 9.943 1.00 0.62 H new ATOM 1585 N LEU A 599 8.426 3.636 7.308 1.00 0.36 N ATOM 1586 CA LEU A 599 7.305 4.481 6.937 1.00 0.32 C ATOM 1587 C LEU A 599 6.971 5.446 8.064 1.00 0.33 C ATOM 1588 O LEU A 599 6.649 5.033 9.178 1.00 0.37 O ATOM 1589 CB LEU A 599 6.091 3.616 6.590 1.00 0.33 C ATOM 1590 CG LEU A 599 6.322 2.634 5.440 1.00 0.37 C ATOM 1591 CD1 LEU A 599 5.115 1.745 5.224 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.653 3.379 4.162 1.00 0.33 C ATOM 0 H LEU A 599 8.242 3.018 8.098 1.00 0.36 H new ATOM 0 HA LEU A 599 7.580 5.066 6.059 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.795 3.055 7.476 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.257 4.269 6.332 1.00 0.33 H new ATOM 0 HG LEU A 599 7.167 2.001 5.711 1.00 0.37 H new ATOM 0 HD11 LEU A 599 5.311 1.059 4.400 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.916 1.175 6.131 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.248 2.361 4.985 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.814 2.664 3.355 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.826 4.040 3.902 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.557 3.970 4.309 1.00 0.33 H new ATOM 1604 N GLN A 600 7.063 6.732 7.768 1.00 0.36 N ATOM 1605 CA GLN A 600 6.780 7.769 8.749 1.00 0.44 C ATOM 1606 C GLN A 600 5.420 8.410 8.489 1.00 0.39 C ATOM 1607 O GLN A 600 5.145 8.882 7.385 1.00 0.43 O ATOM 1608 CB GLN A 600 7.880 8.834 8.709 1.00 0.59 C ATOM 1609 CG GLN A 600 7.682 9.961 9.706 1.00 0.85 C ATOM 1610 CD GLN A 600 8.796 10.984 9.648 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.803 10.864 10.347 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.631 11.995 8.812 1.00 1.34 N ATOM 0 H GLN A 600 7.333 7.085 6.850 1.00 0.36 H new ATOM 0 HA GLN A 600 6.756 7.311 9.738 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.841 8.357 8.901 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.928 9.255 7.705 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.730 10.453 9.510 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.625 9.546 10.712 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.782 12.059 8.250 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.353 12.711 8.729 1.00 1.34 H new ATOM 1621 N LEU A 601 4.579 8.430 9.512 1.00 0.37 N ATOM 1622 CA LEU A 601 3.248 9.006 9.394 1.00 0.34 C ATOM 1623 C LEU A 601 3.279 10.518 9.602 1.00 0.39 C ATOM 1624 O LEU A 601 3.165 11.002 10.729 1.00 0.46 O ATOM 1625 CB LEU A 601 2.288 8.383 10.412 1.00 0.36 C ATOM 1626 CG LEU A 601 1.950 6.904 10.209 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.908 6.475 11.224 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.446 6.650 8.794 1.00 0.32 C ATOM 0 H LEU A 601 4.795 8.053 10.435 1.00 0.37 H new ATOM 0 HA LEU A 601 2.895 8.791 8.385 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.719 8.502 11.406 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.358 8.951 10.398 1.00 0.36 H new ATOM 0 HG LEU A 601 2.857 6.316 10.353 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.669 5.422 11.077 1.00 0.46 H new ATOM 0 HD12 LEU A 601 1.299 6.622 12.231 1.00 0.46 H new ATOM 0 HD13 LEU A 601 0.006 7.073 11.094 1.00 0.46 H new ATOM 0 HD21 LEU A 601 1.213 5.592 8.675 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.548 7.242 8.616 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.216 6.934 8.077 1.00 0.32 H new ATOM 1640 N LYS A 602 3.450 11.266 8.521 1.00 0.41 N ATOM 1641 CA LYS A 602 3.350 12.720 8.578 1.00 0.48 C ATOM 1642 C LYS A 602 1.891 13.144 8.675 1.00 0.46 C ATOM 1643 O LYS A 602 1.576 14.251 9.115 1.00 0.51 O ATOM 1644 CB LYS A 602 4.008 13.356 7.353 1.00 0.59 C ATOM 1645 CG LYS A 602 5.519 13.176 7.323 1.00 0.69 C ATOM 1646 CD LYS A 602 6.168 13.968 6.199 1.00 0.93 C ATOM 1647 CE LYS A 602 5.989 15.466 6.396 1.00 1.49 C ATOM 1648 NZ LYS A 602 6.713 16.255 5.369 1.00 1.73 N ATOM 0 H LYS A 602 3.658 10.892 7.595 1.00 0.41 H new ATOM 0 HA LYS A 602 3.876 13.066 9.467 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.579 12.920 6.451 1.00 0.59 H new ATOM 0 HB3 LYS A 602 3.775 14.421 7.335 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.940 13.491 8.278 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.755 12.119 7.204 1.00 0.69 H new ATOM 0 HD2 LYS A 602 7.231 13.731 6.152 1.00 0.93 H new ATOM 0 HD3 LYS A 602 5.733 13.671 5.245 1.00 0.93 H new ATOM 0 HE2 LYS A 602 4.928 15.712 6.359 1.00 1.49 H new ATOM 0 HE3 LYS A 602 6.347 15.746 7.387 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 6.563 17.270 5.542 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.730 16.041 5.420 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 6.354 16.008 4.425 1.00 1.73 H new ATOM 1662 N LYS A 603 1.005 12.249 8.271 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.425 12.487 8.362 1.00 0.48 C ATOM 1664 C LYS A 603 -1.035 11.519 9.365 1.00 0.54 C ATOM 1665 O LYS A 603 -0.499 10.432 9.579 1.00 0.62 O ATOM 1666 CB LYS A 603 -1.081 12.325 6.987 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.611 13.346 5.960 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.844 14.770 6.441 1.00 0.79 C ATOM 1669 CE LYS A 603 -0.423 15.790 5.398 1.00 0.90 C ATOM 1670 NZ LYS A 603 -1.316 15.770 4.207 1.00 1.69 N ATOM 0 H LYS A 603 1.255 11.343 7.874 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.600 13.508 8.701 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.874 11.323 6.611 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -2.162 12.406 7.098 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.450 13.198 5.758 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -1.139 13.188 5.020 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.899 14.906 6.678 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.286 14.939 7.362 1.00 0.79 H new ATOM 0 HE2 LYS A 603 -0.431 16.786 5.841 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.602 15.588 5.086 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -0.984 16.469 3.512 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -1.302 14.822 3.779 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -2.287 16.005 4.497 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.150 11.910 10.004 1.00 0.67 N ATOM 1685 CA PRO A 604 -2.798 11.094 11.036 1.00 0.81 C ATOM 1686 C PRO A 604 -3.321 9.771 10.496 1.00 0.80 C ATOM 1687 O PRO A 604 -3.594 9.632 9.300 1.00 1.21 O ATOM 1688 CB PRO A 604 -3.966 11.964 11.513 1.00 1.01 C ATOM 1689 CG PRO A 604 -4.213 12.920 10.398 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.871 13.173 9.774 1.00 0.82 C ATOM 0 HA PRO A 604 -2.096 10.825 11.826 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -4.850 11.360 11.719 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.717 12.489 12.435 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.910 12.502 9.671 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -4.654 13.846 10.767 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.957 13.400 8.711 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -2.363 14.017 10.240 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.486 8.814 11.392 1.00 0.68 N ATOM 1699 CA GLY A 605 -3.965 7.512 11.011 1.00 0.80 C ATOM 1700 C GLY A 605 -5.324 7.247 11.607 1.00 0.84 C ATOM 1701 O GLY A 605 -5.523 7.400 12.814 1.00 1.23 O ATOM 0 H GLY A 605 -3.293 8.922 12.388 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -4.020 7.443 9.925 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.262 6.749 11.344 1.00 0.80 H new ATOM 1705 N LYS A 606 -6.266 6.885 10.766 1.00 0.92 N ATOM 1706 CA LYS A 606 -7.619 6.611 11.211 1.00 1.10 C ATOM 1707 C LYS A 606 -7.758 5.130 11.517 1.00 0.81 C ATOM 1708 O LYS A 606 -6.892 4.341 11.137 1.00 0.82 O ATOM 1709 CB LYS A 606 -8.630 7.032 10.140 1.00 1.50 C ATOM 1710 CG LYS A 606 -8.458 8.469 9.658 1.00 1.82 C ATOM 1711 CD LYS A 606 -8.553 9.474 10.798 1.00 2.34 C ATOM 1712 CE LYS A 606 -9.924 9.459 11.454 1.00 2.84 C ATOM 1713 NZ LYS A 606 -10.015 10.439 12.567 1.00 3.47 N ATOM 0 H LYS A 606 -6.121 6.772 9.763 1.00 0.92 H new ATOM 0 HA LYS A 606 -7.823 7.185 12.115 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -8.541 6.360 9.286 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -9.638 6.911 10.538 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -7.491 8.572 9.165 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -9.221 8.694 8.913 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -7.791 9.249 11.544 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -8.343 10.474 10.419 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -10.686 9.685 10.708 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -10.135 8.459 11.833 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -10.965 10.398 12.989 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -9.305 10.209 13.291 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -9.839 11.397 12.202 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.826 4.755 12.213 1.00 0.65 N ATOM 1728 CA ASN A 607 -9.069 3.357 12.557 1.00 0.48 C ATOM 1729 C ASN A 607 -9.063 2.474 11.314 1.00 0.43 C ATOM 1730 O ASN A 607 -9.856 2.663 10.390 1.00 0.60 O ATOM 1731 CB ASN A 607 -10.424 3.245 13.272 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.697 1.871 13.863 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.222 0.852 13.371 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.487 1.837 14.921 1.00 1.33 N ATOM 0 H ASN A 607 -9.539 5.401 12.551 1.00 0.65 H new ATOM 0 HA ASN A 607 -8.270 3.014 13.214 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -10.466 3.987 14.069 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -11.218 3.490 12.566 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.720 0.944 15.355 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -11.864 2.704 15.304 1.00 1.33 H new ATOM 1741 N VAL A 608 -8.158 1.506 11.315 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.993 0.597 10.196 1.00 0.22 C ATOM 1743 C VAL A 608 -8.778 -0.698 10.430 1.00 0.21 C ATOM 1744 O VAL A 608 -9.217 -1.351 9.484 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.494 0.296 9.953 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.308 -0.776 8.898 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.752 1.564 9.550 1.00 0.27 C ATOM 0 H VAL A 608 -7.520 1.331 12.091 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.392 1.078 9.303 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.077 -0.076 10.889 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.244 -0.962 8.752 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.796 -1.695 9.223 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.750 -0.443 7.959 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.700 1.333 9.384 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.185 1.963 8.633 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.839 2.305 10.345 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.985 -1.052 11.694 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.789 -2.225 12.039 1.00 0.33 C ATOM 1759 C ALA A 609 -11.225 -2.052 11.541 1.00 0.32 C ATOM 1760 O ALA A 609 -11.880 -3.010 11.108 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.769 -2.462 13.540 1.00 0.44 C ATOM 0 H ALA A 609 -8.609 -0.547 12.497 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.357 -3.097 11.549 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.372 -3.338 13.778 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.743 -2.628 13.869 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.178 -1.590 14.051 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.700 -0.813 11.585 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.016 -0.473 11.065 1.00 0.35 C ATOM 1769 C ALA A 610 -13.058 -0.683 9.555 1.00 0.30 C ATOM 1770 O ALA A 610 -14.112 -0.950 8.977 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.369 0.964 11.417 1.00 0.40 C ATOM 0 H ALA A 610 -11.188 -0.023 11.979 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.754 -1.130 11.525 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.356 1.204 11.021 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.374 1.083 12.501 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.630 1.637 10.982 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.896 -0.568 8.925 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.770 -0.797 7.496 1.00 0.23 C ATOM 1779 C ILE A 611 -11.919 -2.292 7.199 1.00 0.22 C ATOM 1780 O ILE A 611 -12.422 -2.679 6.145 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.420 -0.263 6.958 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.315 1.243 7.214 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.274 -0.553 5.470 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.992 1.842 6.792 1.00 0.23 C ATOM 0 H ILE A 611 -11.023 -0.315 9.388 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.563 -0.251 6.986 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.614 -0.774 7.485 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -11.119 1.750 6.681 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.467 1.433 8.276 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.318 -0.168 5.116 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.316 -1.629 5.303 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -11.084 -0.070 4.924 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.992 2.911 7.004 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.183 1.363 7.344 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.846 1.684 5.723 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.492 -3.137 8.144 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.708 -4.581 8.033 1.00 0.24 C ATOM 1798 C ILE A 612 -13.201 -4.883 7.989 1.00 0.27 C ATOM 1799 O ILE A 612 -13.656 -5.719 7.203 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.093 -5.366 9.217 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.612 -5.031 9.394 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.266 -6.862 8.997 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -8.983 -5.675 10.612 1.00 0.31 C ATOM 0 H ILE A 612 -10.998 -2.847 8.988 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.216 -4.899 7.114 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.617 -5.072 10.126 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.068 -5.349 8.504 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.500 -3.949 9.467 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -10.830 -7.406 9.835 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.327 -7.099 8.923 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -10.764 -7.155 8.075 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -7.932 -5.392 10.671 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.501 -5.338 11.510 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.063 -6.759 10.532 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.958 -4.178 8.827 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.416 -4.314 8.837 1.00 0.35 C ATOM 1817 C GLN A 613 -15.975 -3.895 7.484 1.00 0.34 C ATOM 1818 O GLN A 613 -16.902 -4.505 6.959 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.039 -3.433 9.922 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.518 -3.691 11.323 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.123 -2.739 12.336 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -17.257 -2.289 12.181 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.374 -2.419 13.377 1.00 2.31 N ATOM 0 H GLN A 613 -13.591 -3.510 9.505 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.660 -5.356 9.043 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.861 -2.388 9.669 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.119 -3.582 9.917 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.743 -4.718 11.611 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.433 -3.588 11.331 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -14.438 -2.812 13.472 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -15.732 -1.779 14.086 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.357 -2.865 6.928 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.776 -2.287 5.656 1.00 0.33 C ATOM 1834 C ASP A 614 -15.597 -3.281 4.511 1.00 0.30 C ATOM 1835 O ASP A 614 -16.493 -3.459 3.685 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.972 -1.018 5.379 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.272 -0.423 4.021 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.546 -0.740 3.059 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.212 0.389 3.914 1.00 1.09 O ATOM 0 H ASP A 614 -14.549 -2.404 7.345 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.836 -2.040 5.723 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -15.189 -0.280 6.151 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.908 -1.245 5.445 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.444 -3.941 4.484 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.145 -4.932 3.460 1.00 0.27 C ATOM 1846 C ILE A 615 -15.171 -6.059 3.479 1.00 0.32 C ATOM 1847 O ILE A 615 -15.726 -6.426 2.446 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.746 -5.535 3.684 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.690 -4.440 3.613 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.455 -6.619 2.658 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.325 -4.892 4.058 1.00 0.18 C ATOM 0 H ILE A 615 -13.697 -3.805 5.165 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.179 -4.427 2.495 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.719 -5.989 4.674 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.626 -4.074 2.588 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.006 -3.601 4.233 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.461 -7.031 2.836 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.198 -7.412 2.746 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.497 -6.192 1.656 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.624 -4.061 3.981 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.373 -5.231 5.093 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -9.988 -5.711 3.423 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.429 -6.585 4.669 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.387 -7.674 4.831 1.00 0.46 C ATOM 1865 C HIS A 616 -17.815 -7.190 4.607 1.00 0.44 C ATOM 1866 O HIS A 616 -18.691 -7.964 4.214 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.263 -8.301 6.221 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.061 -9.179 6.387 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.125 -10.553 6.342 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -13.762 -8.874 6.617 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -13.923 -11.056 6.540 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.077 -10.059 6.709 1.00 0.82 N ATOM 0 H HIS A 616 -14.990 -6.277 5.536 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.157 -8.429 4.080 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.225 -7.506 6.965 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.159 -8.887 6.426 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.343 -7.883 6.711 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -13.673 -12.107 6.560 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.076 -10.153 6.880 1.00 0.82 H new ATOM 1881 N SER A 617 -18.050 -5.913 4.873 1.00 0.45 N ATOM 1882 CA SER A 617 -19.358 -5.316 4.667 1.00 0.51 C ATOM 1883 C SER A 617 -19.714 -5.307 3.187 1.00 0.49 C ATOM 1884 O SER A 617 -20.882 -5.457 2.827 1.00 0.57 O ATOM 1885 CB SER A 617 -19.388 -3.891 5.230 1.00 0.58 C ATOM 1886 OG SER A 617 -20.703 -3.365 5.246 1.00 1.18 O ATOM 0 H SER A 617 -17.346 -5.269 5.234 1.00 0.45 H new ATOM 0 HA SER A 617 -20.098 -5.916 5.197 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.983 -3.890 6.242 1.00 0.58 H new ATOM 0 HB3 SER A 617 -18.745 -3.248 4.629 1.00 0.58 H new ATOM 0 HG SER A 617 -20.664 -2.386 5.224 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.686 -5.152 2.342 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.840 -5.112 0.884 1.00 0.58 C ATOM 1894 C GLN A 618 -19.500 -3.805 0.450 1.00 1.36 C ATOM 1895 O GLN A 618 -18.904 -3.011 -0.279 1.00 2.14 O ATOM 1896 CB GLN A 618 -19.639 -6.317 0.369 1.00 1.70 C ATOM 1897 CG GLN A 618 -19.022 -7.663 0.725 1.00 2.78 C ATOM 1898 CD GLN A 618 -17.663 -7.880 0.088 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -17.378 -7.368 -0.994 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -16.815 -8.645 0.755 1.00 4.68 N ATOM 0 H GLN A 618 -17.720 -5.050 2.653 1.00 0.49 H new ATOM 0 HA GLN A 618 -17.844 -5.163 0.444 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -20.649 -6.272 0.776 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -19.729 -6.245 -0.715 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -18.925 -7.737 1.808 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -19.696 -8.460 0.410 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -17.090 -9.051 1.649 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -15.886 -8.829 0.375 1.00 4.68 H new ATOM 1909 N ARG A 619 -20.724 -3.586 0.904 1.00 2.22 N ATOM 1910 CA ARG A 619 -21.438 -2.348 0.639 1.00 3.46 C ATOM 1911 C ARG A 619 -21.844 -1.710 1.960 1.00 4.18 C ATOM 1912 O ARG A 619 -22.188 -2.410 2.910 1.00 4.57 O ATOM 1913 CB ARG A 619 -22.676 -2.611 -0.223 1.00 4.18 C ATOM 1914 CG ARG A 619 -22.356 -3.226 -1.575 1.00 4.41 C ATOM 1915 CD ARG A 619 -23.619 -3.575 -2.345 1.00 5.33 C ATOM 1916 NE ARG A 619 -24.422 -2.394 -2.665 1.00 6.03 N ATOM 1917 CZ ARG A 619 -25.686 -2.446 -3.082 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -26.300 -3.616 -3.207 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -26.337 -1.326 -3.369 1.00 7.77 N ATOM 0 H ARG A 619 -21.248 -4.258 1.464 1.00 2.22 H new ATOM 0 HA ARG A 619 -20.783 -1.670 0.092 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -23.351 -3.274 0.318 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -23.207 -1.672 -0.377 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -21.754 -2.529 -2.159 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -21.756 -4.125 -1.433 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -23.348 -4.088 -3.268 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -24.219 -4.270 -1.758 1.00 5.33 H new ATOM 0 HE ARG A 619 -23.988 -1.477 -2.563 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -25.804 -4.479 -2.983 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -27.268 -3.652 -3.527 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -25.870 -0.425 -3.270 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -27.305 -1.366 -3.688 1.00 7.77 H new ATOM 1933 N GLU A 620 -21.804 -0.390 2.024 1.00 4.80 N ATOM 1934 CA GLU A 620 -22.120 0.318 3.258 1.00 5.84 C ATOM 1935 C GLU A 620 -23.483 0.982 3.174 1.00 6.68 C ATOM 1936 O GLU A 620 -23.724 2.025 3.789 1.00 7.20 O ATOM 1937 CB GLU A 620 -21.035 1.350 3.578 1.00 6.43 C ATOM 1938 CG GLU A 620 -19.764 0.742 4.144 1.00 6.93 C ATOM 1939 CD GLU A 620 -19.937 0.270 5.574 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -19.442 0.958 6.492 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -20.583 -0.776 5.792 1.00 7.86 O ATOM 0 H GLU A 620 -21.557 0.214 1.240 1.00 4.80 H new ATOM 0 HA GLU A 620 -22.152 -0.412 4.067 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -20.791 1.901 2.670 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -21.431 2.072 4.292 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -19.458 -0.099 3.521 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -18.962 1.479 4.102 1.00 6.93 H new ATOM 1948 N ARG A 621 -24.373 0.346 2.431 1.00 7.11 N ATOM 1949 CA ARG A 621 -25.728 0.844 2.236 1.00 8.13 C ATOM 1950 C ARG A 621 -26.547 -0.171 1.446 1.00 9.01 C ATOM 1951 O ARG A 621 -27.180 -1.039 2.079 1.00 9.48 O ATOM 1952 CB ARG A 621 -25.711 2.199 1.521 1.00 8.49 C ATOM 1953 CG ARG A 621 -27.087 2.825 1.366 1.00 8.97 C ATOM 1954 CD ARG A 621 -26.993 4.235 0.812 1.00 9.41 C ATOM 1955 NE ARG A 621 -26.300 4.273 -0.473 1.00 9.86 N ATOM 1956 CZ ARG A 621 -25.613 5.326 -0.915 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -25.535 6.431 -0.182 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -25.005 5.275 -2.091 1.00 11.00 N ATOM 1959 OXT ARG A 621 -26.535 -0.118 0.196 1.00 9.43 O ATOM 0 H ARG A 621 -24.179 -0.530 1.945 1.00 7.11 H new ATOM 0 HA ARG A 621 -26.192 0.985 3.212 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -25.070 2.884 2.076 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -25.265 2.074 0.534 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -27.695 2.211 0.702 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -27.591 2.845 2.332 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -27.996 4.646 0.695 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -26.469 4.871 1.526 1.00 9.41 H new ATOM 0 HE ARG A 621 -26.344 3.445 -1.067 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -26.002 6.476 0.724 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -25.008 7.234 -0.525 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -25.063 4.430 -2.659 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -24.479 6.081 -2.429 1.00 11.00 H new TER 1973 ARG A 621