USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 972 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 602 LYS NZ :NH3+ 180:sc= 1.7 (180deg=0.612) USER MOD Set 1.2: B 4 U O2' : rot 27:sc= 1.11 USER MOD Set 2.1: A 594 THR OG1 : rot 150:sc= 0.0217 USER MOD Set 2.2: B 1 ADN O5' : rot 0:sc= 0.955 USER MOD Set 3.1: A 613 GLN : amide:sc= -0.0554 X(o=-0.24,f=-0.51) USER MOD Set 3.2: A 616 HIS : no HD1:sc= -0.18 K(o=-0.24,f=-0.8) USER MOD Set 4.1: A 531 SER OG : rot -42:sc= 0.794 USER MOD Set 4.2: A 584 ASN : amide:sc= -0.0612 K(o=0.73,f=-0.42) USER MOD Set 5.1: A 575 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 553 MET CE :methyl -149:sc= -2.3! (180deg=-4.66!) USER MOD Set 6.2: A 556 THR OG1 : rot -170:sc= -0.0323 USER MOD Set 7.1: A 535 ASN : amide:sc= -0.109 K(o=-3.3,f=-5.8!) USER MOD Set 7.2: A 539 ASN : amide:sc= -3.16! X(o=-3.3!,f=-3.1) USER MOD Set 8.1: A 523 HIS : no HD1:sc= -1.66 K(o=-0.47,f=-2.2) USER MOD Set 8.2: A 558 GLN : amide:sc= -0.0198 K(o=-0.47,f=0.94) USER MOD Set 8.3: B 2 U O2' : rot -51:sc= 1.22 USER MOD Single : A 512 MET CE :methyl 146:sc= -0.119 (180deg=-0.538) USER MOD Single : A 514 GLN : amide:sc= 0.825 K(o=0.83,f=-0.24) USER MOD Single : A 516 LYS NZ :NH3+ -172:sc= 0.00333 (180deg=-0.0163) USER MOD Single : A 525 CYS SG : rot -15:sc= -0.659! USER MOD Single : A 526 ASN : amide:sc= 0.0667 K(o=0.067,f=-2.1) USER MOD Single : A 532 CYS SG : rot 13:sc= -0.553 USER MOD Single : A 533 THR OG1 : rot -98:sc= 1.34 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 107:sc= 1.34 USER MOD Single : A 549 ASN : amide:sc= -0.991 K(o=-0.99,f=-3.7!) USER MOD Single : A 550 TYR OH : rot 130:sc= -0.136 USER MOD Single : A 554 LYS NZ :NH3+ 167:sc= 1.07 (180deg=0.882) USER MOD Single : A 555 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 557 ASN : amide:sc= -0.112 K(o=-0.11,f=-2.3!) USER MOD Single : A 563 MET CE :methyl -171:sc= -6.27! (180deg=-7.02!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 113:sc= 0.899 USER MOD Single : A 570 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.16) USER MOD Single : A 572 MET CE :methyl 165:sc= -4.44! (180deg=-5.23!) USER MOD Single : A 574 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.81) USER MOD Single : A 576 TYR OH : rot 50:sc= -0.953 USER MOD Single : A 577 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.62) USER MOD Single : A 587 LYS NZ :NH3+ 166:sc= -0.0209 (180deg=-0.228) USER MOD Single : A 592 MET CE :methyl 163:sc= 0 (180deg=-0.0678) USER MOD Single : A 593 SER OG : rot 80:sc= 1.33 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ -169:sc= -0.0158 (180deg=-0.158) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 603 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ 165:sc= -0.0556 (180deg=-0.32) USER MOD Single : A 607 ASN : amide:sc= -0.586 K(o=-0.59,f=-8.6!) USER MOD Single : A 617 SER OG : rot 57:sc= 1.2 USER MOD Single : A 618 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 1 ADN O2' : rot -35:sc= 0.404 USER MOD Single : B 3 C O2' : rot -75:sc= 0.0419 USER MOD Single : B 5 U O2' : rot 26:sc= -2.42! USER MOD Single : B 6 A O2' : rot 165:sc= 0.0216 USER MOD Single : B 6 A O3' : rot 129:sc= 0.182 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 12.829 1.958 -7.796 1.00 3.64 O HETATM 2 C5' ADN B 1 12.881 0.663 -8.402 1.00 3.04 C HETATM 3 C4' ADN B 1 12.379 0.695 -9.827 1.00 2.61 C HETATM 4 O4' ADN B 1 12.602 -0.610 -10.424 1.00 3.25 O HETATM 5 C3' ADN B 1 10.885 0.971 -9.989 1.00 2.05 C HETATM 6 O3' ADN B 1 10.618 1.730 -11.166 1.00 2.33 O HETATM 7 C2' ADN B 1 10.276 -0.424 -10.086 1.00 2.68 C HETATM 8 O2' ADN B 1 9.087 -0.431 -10.851 1.00 3.28 O HETATM 9 C1' ADN B 1 11.372 -1.159 -10.853 1.00 3.33 C HETATM 10 N9 ADN B 1 11.393 -2.601 -10.619 1.00 4.21 N HETATM 11 C8 ADN B 1 12.006 -3.271 -9.593 1.00 4.58 C HETATM 12 N7 ADN B 1 11.859 -4.573 -9.646 1.00 5.53 N HETATM 13 C5 ADN B 1 11.095 -4.773 -10.787 1.00 5.90 C HETATM 14 C6 ADN B 1 10.598 -5.936 -11.398 1.00 7.05 C HETATM 15 N6 ADN B 1 10.809 -7.168 -10.929 1.00 7.92 N HETATM 16 N1 ADN B 1 9.870 -5.791 -12.527 1.00 7.44 N HETATM 17 C2 ADN B 1 9.666 -4.556 -13.003 1.00 6.72 C HETATM 18 N3 ADN B 1 10.083 -3.386 -12.519 1.00 5.56 N HETATM 19 C4 ADN B 1 10.801 -3.567 -11.397 1.00 5.16 C HETATM 0 HO5' ADN B 1 12.472 2.606 -8.439 1.00 3.64 H new HETATM 0 HO2' ADN B 1 8.595 0.402 -10.698 1.00 3.28 H new HETATM 0 HN62 ADN B 1 10.421 -7.974 -11.419 1.00 7.92 H new HETATM 0 HN61 ADN B 1 11.359 -7.304 -10.081 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 13.906 0.294 -8.385 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 12.281 -0.036 -7.820 1.00 3.04 H new HETATM 0 H8 ADN B 1 12.565 -2.767 -8.804 1.00 4.58 H new HETATM 0 H4' ADN B 1 12.924 1.513 -10.298 1.00 2.61 H new HETATM 0 H3' ADN B 1 10.475 1.561 -9.169 1.00 2.05 H new HETATM 0 H2' ADN B 1 10.003 -0.846 -9.119 1.00 2.68 H new HETATM 0 H2 ADN B 1 9.074 -4.499 -13.917 1.00 6.72 H new HETATM 0 H1' ADN B 1 11.188 -1.030 -11.920 1.00 3.33 H new ATOM 32 P U B 2 11.035 3.281 -11.250 1.00 2.37 P ATOM 33 OP1 U B 2 11.725 3.500 -12.545 1.00 2.99 O ATOM 34 OP2 U B 2 11.717 3.642 -9.981 1.00 2.93 O ATOM 35 O5' U B 2 9.643 4.053 -11.299 1.00 2.04 O ATOM 36 C5' U B 2 9.605 5.478 -11.302 1.00 1.73 C ATOM 37 C4' U B 2 8.521 5.969 -10.375 1.00 1.24 C ATOM 38 O4' U B 2 7.256 5.399 -10.800 1.00 1.07 O ATOM 39 C3' U B 2 8.676 5.563 -8.914 1.00 0.95 C ATOM 40 O3' U B 2 8.153 6.562 -8.046 1.00 0.97 O ATOM 41 C2' U B 2 7.879 4.266 -8.819 1.00 0.83 C ATOM 42 O2' U B 2 7.352 4.073 -7.523 1.00 1.12 O ATOM 43 C1' U B 2 6.735 4.560 -9.789 1.00 0.74 C ATOM 44 N1 U B 2 6.157 3.372 -10.434 1.00 0.76 N ATOM 45 C2 U B 2 4.785 3.349 -10.614 1.00 1.11 C ATOM 46 O2 U B 2 4.053 4.251 -10.242 1.00 1.49 O ATOM 47 N3 U B 2 4.300 2.232 -11.245 1.00 1.23 N ATOM 48 C4 U B 2 5.027 1.156 -11.704 1.00 1.12 C ATOM 49 O4 U B 2 4.443 0.227 -12.268 1.00 1.35 O ATOM 50 C5 U B 2 6.435 1.250 -11.476 1.00 1.05 C ATOM 51 C6 U B 2 6.945 2.326 -10.866 1.00 0.89 C ATOM 0 H5' U B 2 9.423 5.843 -12.313 1.00 1.73 H new ATOM 0 H5'' U B 2 10.570 5.876 -10.989 1.00 1.73 H new ATOM 0 H4' U B 2 8.578 7.056 -10.431 1.00 1.24 H new ATOM 0 H3' U B 2 9.716 5.439 -8.614 1.00 0.95 H new ATOM 0 H2' U B 2 8.468 3.375 -9.036 1.00 0.83 H new ATOM 0 HO2' U B 2 8.066 4.181 -6.860 1.00 1.12 H new ATOM 0 H1' U B 2 5.929 5.013 -9.211 1.00 0.74 H new ATOM 0 H3 U B 2 3.291 2.194 -11.390 1.00 1.23 H new ATOM 0 H5 U B 2 7.088 0.452 -11.796 1.00 1.05 H new ATOM 0 H6 U B 2 8.012 2.377 -10.706 1.00 0.89 H new ATOM 62 P C B 3 9.011 7.883 -7.730 1.00 1.05 P ATOM 63 OP1 C B 3 8.282 9.038 -8.315 1.00 1.58 O ATOM 64 OP2 C B 3 10.424 7.630 -8.115 1.00 1.17 O ATOM 65 O5' C B 3 8.948 8.004 -6.143 1.00 1.07 O ATOM 66 C5' C B 3 7.832 8.612 -5.498 1.00 0.98 C ATOM 67 C4' C B 3 7.486 7.859 -4.235 1.00 0.86 C ATOM 68 O4' C B 3 7.534 6.431 -4.508 1.00 0.90 O ATOM 69 C3' C B 3 8.432 8.088 -3.059 1.00 0.69 C ATOM 70 O3' C B 3 7.709 8.121 -1.832 1.00 0.87 O ATOM 71 C2' C B 3 9.381 6.896 -3.127 1.00 0.63 C ATOM 72 O2' C B 3 9.887 6.541 -1.855 1.00 0.82 O ATOM 73 C1' C B 3 8.430 5.806 -3.613 1.00 0.75 C ATOM 74 N1 C B 3 9.106 4.694 -4.303 1.00 0.69 N ATOM 75 C2 C B 3 9.187 3.451 -3.664 1.00 0.96 C ATOM 76 O2 C B 3 8.682 3.316 -2.540 1.00 1.32 O ATOM 77 N3 C B 3 9.817 2.429 -4.284 1.00 0.95 N ATOM 78 C4 C B 3 10.355 2.612 -5.494 1.00 0.70 C ATOM 79 N4 C B 3 10.976 1.578 -6.063 1.00 0.76 N ATOM 80 C5 C B 3 10.286 3.866 -6.167 1.00 0.69 C ATOM 81 C6 C B 3 9.659 4.869 -5.541 1.00 0.67 C ATOM 0 H5' C B 3 6.975 8.622 -6.171 1.00 0.98 H new ATOM 0 H5'' C B 3 8.062 9.651 -5.260 1.00 0.98 H new ATOM 0 H4' C B 3 6.501 8.231 -3.952 1.00 0.86 H new ATOM 0 H3' C B 3 8.961 9.040 -3.108 1.00 0.69 H new ATOM 0 H2' C B 3 10.259 7.078 -3.746 1.00 0.63 H new ATOM 0 HO2' C B 3 10.570 7.189 -1.582 1.00 0.82 H new ATOM 0 H1' C B 3 7.936 5.363 -2.748 1.00 0.75 H new ATOM 0 H41 C B 3 11.398 1.682 -6.986 1.00 0.76 H new ATOM 0 H42 C B 3 11.029 0.684 -5.575 1.00 0.76 H new ATOM 0 H5 C B 3 10.723 4.002 -7.145 1.00 0.69 H new ATOM 0 H6 C B 3 9.589 5.833 -6.022 1.00 0.67 H new ATOM 93 P U B 4 8.292 8.916 -0.560 1.00 0.75 P ATOM 94 OP1 U B 4 9.154 10.015 -1.068 1.00 1.02 O ATOM 95 OP2 U B 4 8.854 7.917 0.385 1.00 1.15 O ATOM 96 O5' U B 4 7.002 9.562 0.113 1.00 0.71 O ATOM 97 C5' U B 4 6.700 10.950 -0.030 1.00 0.76 C ATOM 98 C4' U B 4 5.569 11.335 0.896 1.00 0.65 C ATOM 99 O4' U B 4 5.320 10.227 1.804 1.00 0.61 O ATOM 100 C3' U B 4 5.851 12.531 1.797 1.00 0.67 C ATOM 101 O3' U B 4 4.657 13.233 2.122 1.00 0.79 O ATOM 102 C2' U B 4 6.464 11.888 3.034 1.00 0.63 C ATOM 103 O2' U B 4 6.255 12.672 4.192 1.00 0.77 O ATOM 104 C1' U B 4 5.635 10.609 3.128 1.00 0.58 C ATOM 105 N1 U B 4 6.350 9.502 3.775 1.00 0.58 N ATOM 106 C2 U B 4 6.464 9.527 5.153 1.00 0.66 C ATOM 107 O2 U B 4 5.977 10.407 5.845 1.00 0.71 O ATOM 108 N3 U B 4 7.171 8.485 5.694 1.00 0.75 N ATOM 109 C4 U B 4 7.761 7.442 5.016 1.00 0.79 C ATOM 110 O4 U B 4 8.371 6.581 5.650 1.00 0.93 O ATOM 111 C5 U B 4 7.595 7.485 3.597 1.00 0.72 C ATOM 112 C6 U B 4 6.913 8.487 3.035 1.00 0.62 C ATOM 0 H5' U B 4 6.424 11.165 -1.062 1.00 0.76 H new ATOM 0 H5'' U B 4 7.584 11.547 0.195 1.00 0.76 H new ATOM 0 H4' U B 4 4.738 11.588 0.238 1.00 0.65 H new ATOM 0 H3' U B 4 6.498 13.273 1.330 1.00 0.67 H new ATOM 0 H2' U B 4 7.543 11.751 2.967 1.00 0.63 H new ATOM 0 HO2' U B 4 5.444 13.210 4.081 1.00 0.77 H new ATOM 0 H1' U B 4 4.754 10.813 3.737 1.00 0.58 H new ATOM 0 H3 U B 4 7.271 8.482 6.709 1.00 0.75 H new ATOM 0 H5 U B 4 8.021 6.708 2.979 1.00 0.72 H new ATOM 0 H6 U B 4 6.799 8.501 1.961 1.00 0.62 H new ATOM 123 P U B 5 3.934 14.155 1.022 1.00 0.85 P ATOM 124 OP1 U B 5 4.982 14.667 0.100 1.00 1.03 O ATOM 125 OP2 U B 5 3.053 15.114 1.734 1.00 1.33 O ATOM 126 O5' U B 5 3.012 13.145 0.210 1.00 0.85 O ATOM 127 C5' U B 5 1.872 13.614 -0.503 1.00 0.75 C ATOM 128 C4' U B 5 0.605 13.037 0.084 1.00 0.55 C ATOM 129 O4' U B 5 0.942 12.047 1.097 1.00 0.43 O ATOM 130 C3' U B 5 -0.324 14.037 0.769 1.00 0.55 C ATOM 131 O3' U B 5 -1.681 13.793 0.415 1.00 0.57 O ATOM 132 C2' U B 5 -0.090 13.807 2.259 1.00 0.48 C ATOM 133 O2' U B 5 -1.255 14.057 3.020 1.00 0.53 O ATOM 134 C1' U B 5 0.202 12.310 2.268 1.00 0.37 C ATOM 135 N1 U B 5 0.955 11.847 3.444 1.00 0.37 N ATOM 136 C2 U B 5 0.376 10.861 4.222 1.00 0.37 C ATOM 137 O2 U B 5 -0.705 10.357 3.962 1.00 0.40 O ATOM 138 N3 U B 5 1.112 10.477 5.314 1.00 0.43 N ATOM 139 C4 U B 5 2.341 10.968 5.700 1.00 0.48 C ATOM 140 O4 U B 5 2.879 10.521 6.714 1.00 0.56 O ATOM 141 C5 U B 5 2.871 11.983 4.842 1.00 0.49 C ATOM 142 C6 U B 5 2.181 12.381 3.768 1.00 0.44 C ATOM 0 H5' U B 5 1.953 13.335 -1.554 1.00 0.75 H new ATOM 0 H5'' U B 5 1.834 14.703 -0.465 1.00 0.75 H new ATOM 0 H4' U B 5 0.078 12.630 -0.779 1.00 0.55 H new ATOM 0 H3' U B 5 -0.122 15.067 0.475 1.00 0.55 H new ATOM 0 H2' U B 5 0.682 14.449 2.684 1.00 0.48 H new ATOM 0 HO2' U B 5 -2.047 13.917 2.461 1.00 0.53 H new ATOM 0 H1' U B 5 -0.745 11.772 2.310 1.00 0.37 H new ATOM 0 H3 U B 5 0.706 9.750 5.904 1.00 0.43 H new ATOM 0 H5 U B 5 3.830 12.428 5.062 1.00 0.49 H new ATOM 0 H6 U B 5 2.600 13.148 3.133 1.00 0.44 H new ATOM 153 P A B 6 -2.610 15.002 -0.090 1.00 0.96 P ATOM 154 OP1 A B 6 -3.968 14.817 0.482 1.00 1.91 O ATOM 155 OP2 A B 6 -2.440 15.095 -1.562 1.00 1.79 O ATOM 156 O5' A B 6 -1.953 16.298 0.564 1.00 1.70 O ATOM 157 C5' A B 6 -2.231 16.665 1.913 1.00 2.27 C ATOM 158 C4' A B 6 -1.660 18.033 2.205 1.00 2.74 C ATOM 159 O4' A B 6 -0.217 17.989 2.018 1.00 2.62 O ATOM 160 C3' A B 6 -2.160 19.153 1.295 1.00 3.36 C ATOM 161 O3' A B 6 -2.324 20.379 2.008 1.00 4.05 O ATOM 162 C2' A B 6 -1.061 19.269 0.247 1.00 3.45 C ATOM 163 O2' A B 6 -0.980 20.571 -0.299 1.00 4.23 O ATOM 164 C1' A B 6 0.162 19.009 1.119 1.00 3.13 C ATOM 165 N9 A B 6 1.352 18.589 0.378 1.00 3.07 N ATOM 166 C8 A B 6 1.545 18.599 -0.983 1.00 3.68 C ATOM 167 N7 A B 6 2.750 18.238 -1.349 1.00 3.79 N ATOM 168 C5 A B 6 3.396 17.970 -0.151 1.00 3.15 C ATOM 169 C6 A B 6 4.701 17.542 0.143 1.00 3.12 C ATOM 170 N6 A B 6 5.632 17.321 -0.785 1.00 3.76 N ATOM 171 N1 A B 6 5.027 17.367 1.443 1.00 2.64 N ATOM 172 C2 A B 6 4.095 17.608 2.374 1.00 2.25 C ATOM 173 N3 A B 6 2.838 18.015 2.221 1.00 2.28 N ATOM 174 C4 A B 6 2.546 18.179 0.919 1.00 2.69 C ATOM 0 H5' A B 6 -1.802 15.930 2.594 1.00 2.27 H new ATOM 0 H5'' A B 6 -3.308 16.667 2.083 1.00 2.27 H new ATOM 0 H4' A B 6 -1.977 18.258 3.223 1.00 2.74 H new ATOM 0 H3' A B 6 -3.140 18.942 0.868 1.00 3.36 H new ATOM 0 H2' A B 6 -1.196 18.609 -0.610 1.00 3.45 H new ATOM 0 HO2' A B 6 -0.132 20.672 -0.780 1.00 4.23 H new ATOM 0 HO3' A B 6 -1.857 21.098 1.534 1.00 4.05 H new ATOM 0 H1' A B 6 0.448 19.940 1.609 1.00 3.13 H new ATOM 0 H8 A B 6 0.774 18.879 -1.686 1.00 3.68 H new ATOM 0 H61 A B 6 6.564 17.011 -0.509 1.00 3.76 H new ATOM 0 H62 A B 6 5.413 17.462 -1.771 1.00 3.76 H new ATOM 0 H2 A B 6 4.409 17.449 3.395 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 14.307 -16.870 -3.509 1.00 8.88 N ATOM 189 CA GLY A 510 15.006 -16.331 -2.319 1.00 8.14 C ATOM 190 C GLY A 510 15.486 -14.916 -2.544 1.00 7.17 C ATOM 191 O GLY A 510 16.108 -14.622 -3.565 1.00 7.17 O ATOM 0 HA2 GLY A 510 14.334 -16.355 -1.461 1.00 8.14 H new ATOM 0 HA3 GLY A 510 15.856 -16.969 -2.076 1.00 8.14 H new ATOM 197 N ALA A 511 15.186 -14.032 -1.605 1.00 6.63 N ATOM 198 CA ALA A 511 15.577 -12.638 -1.720 1.00 5.95 C ATOM 199 C ALA A 511 16.904 -12.387 -1.020 1.00 5.06 C ATOM 200 O ALA A 511 16.991 -12.455 0.206 1.00 5.04 O ATOM 201 CB ALA A 511 14.497 -11.738 -1.137 1.00 6.64 C ATOM 0 H ALA A 511 14.672 -14.257 -0.753 1.00 6.63 H new ATOM 0 HA ALA A 511 15.699 -12.405 -2.778 1.00 5.95 H new ATOM 0 HB1 ALA A 511 14.803 -10.696 -1.230 1.00 6.64 H new ATOM 0 HB2 ALA A 511 13.564 -11.892 -1.679 1.00 6.64 H new ATOM 0 HB3 ALA A 511 14.350 -11.981 -0.085 1.00 6.64 H new ATOM 207 N MET A 512 17.938 -12.119 -1.803 1.00 4.71 N ATOM 208 CA MET A 512 19.243 -11.780 -1.251 1.00 4.26 C ATOM 209 C MET A 512 19.242 -10.328 -0.793 1.00 3.49 C ATOM 210 O MET A 512 19.767 -9.990 0.269 1.00 3.57 O ATOM 211 CB MET A 512 20.343 -12.009 -2.288 1.00 4.93 C ATOM 212 CG MET A 512 21.745 -11.774 -1.750 1.00 5.06 C ATOM 213 SD MET A 512 22.103 -12.775 -0.291 1.00 5.85 S ATOM 214 CE MET A 512 21.825 -14.427 -0.926 1.00 6.33 C ATOM 0 H MET A 512 17.900 -12.129 -2.822 1.00 4.71 H new ATOM 0 HA MET A 512 19.443 -12.426 -0.396 1.00 4.26 H new ATOM 0 HB2 MET A 512 20.272 -13.031 -2.661 1.00 4.93 H new ATOM 0 HB3 MET A 512 20.173 -11.348 -3.138 1.00 4.93 H new ATOM 0 HG2 MET A 512 22.472 -12.001 -2.529 1.00 5.06 H new ATOM 0 HG3 MET A 512 21.863 -10.719 -1.501 1.00 5.06 H new ATOM 0 HE1 MET A 512 22.518 -15.121 -0.451 1.00 6.33 H new ATOM 0 HE2 MET A 512 20.801 -14.732 -0.710 1.00 6.33 H new ATOM 0 HE3 MET A 512 21.986 -14.434 -2.004 1.00 6.33 H new ATOM 224 N ALA A 513 18.644 -9.475 -1.609 1.00 3.37 N ATOM 225 CA ALA A 513 18.447 -8.082 -1.252 1.00 3.26 C ATOM 226 C ALA A 513 17.016 -7.883 -0.775 1.00 2.63 C ATOM 227 O ALA A 513 16.185 -8.777 -0.942 1.00 3.17 O ATOM 228 CB ALA A 513 18.753 -7.179 -2.438 1.00 4.20 C ATOM 0 H ALA A 513 18.285 -9.727 -2.530 1.00 3.37 H new ATOM 0 HA ALA A 513 19.131 -7.815 -0.446 1.00 3.26 H new ATOM 0 HB1 ALA A 513 18.600 -6.138 -2.152 1.00 4.20 H new ATOM 0 HB2 ALA A 513 19.789 -7.322 -2.746 1.00 4.20 H new ATOM 0 HB3 ALA A 513 18.090 -7.429 -3.266 1.00 4.20 H new ATOM 234 N GLN A 514 16.734 -6.714 -0.202 1.00 1.97 N ATOM 235 CA GLN A 514 15.418 -6.412 0.367 1.00 1.53 C ATOM 236 C GLN A 514 15.107 -7.341 1.534 1.00 1.41 C ATOM 237 O GLN A 514 14.726 -8.497 1.353 1.00 1.94 O ATOM 238 CB GLN A 514 14.313 -6.513 -0.684 1.00 1.48 C ATOM 239 CG GLN A 514 14.452 -5.515 -1.824 1.00 1.76 C ATOM 240 CD GLN A 514 14.190 -4.090 -1.384 1.00 2.06 C ATOM 241 OE1 GLN A 514 15.094 -3.384 -0.947 1.00 2.88 O ATOM 242 NE2 GLN A 514 12.946 -3.658 -1.507 1.00 2.17 N ATOM 0 H GLN A 514 17.407 -5.952 -0.118 1.00 1.97 H new ATOM 0 HA GLN A 514 15.452 -5.384 0.728 1.00 1.53 H new ATOM 0 HB2 GLN A 514 14.309 -7.522 -1.096 1.00 1.48 H new ATOM 0 HB3 GLN A 514 13.349 -6.363 -0.198 1.00 1.48 H new ATOM 0 HG2 GLN A 514 15.456 -5.584 -2.242 1.00 1.76 H new ATOM 0 HG3 GLN A 514 13.756 -5.779 -2.621 1.00 1.76 H new ATOM 0 HE21 GLN A 514 12.225 -4.278 -1.875 1.00 2.17 H new ATOM 0 HE22 GLN A 514 12.708 -2.705 -1.234 1.00 2.17 H new ATOM 251 N ARG A 515 15.261 -6.817 2.731 1.00 1.22 N ATOM 252 CA ARG A 515 15.072 -7.600 3.944 1.00 1.19 C ATOM 253 C ARG A 515 13.618 -7.540 4.385 1.00 1.13 C ATOM 254 O ARG A 515 12.926 -8.560 4.397 1.00 1.84 O ATOM 255 CB ARG A 515 15.988 -7.083 5.053 1.00 1.39 C ATOM 256 CG ARG A 515 17.464 -7.195 4.715 1.00 1.59 C ATOM 257 CD ARG A 515 18.334 -6.557 5.783 1.00 1.75 C ATOM 258 NE ARG A 515 19.756 -6.671 5.463 1.00 2.36 N ATOM 259 CZ ARG A 515 20.684 -5.797 5.851 1.00 3.12 C ATOM 260 NH1 ARG A 515 20.348 -4.741 6.583 1.00 3.44 N ATOM 261 NH2 ARG A 515 21.951 -5.982 5.502 1.00 4.00 N ATOM 0 H ARG A 515 15.519 -5.844 2.896 1.00 1.22 H new ATOM 0 HA ARG A 515 15.330 -8.639 3.737 1.00 1.19 H new ATOM 0 HB2 ARG A 515 15.747 -6.040 5.256 1.00 1.39 H new ATOM 0 HB3 ARG A 515 15.789 -7.640 5.968 1.00 1.39 H new ATOM 0 HG2 ARG A 515 17.734 -8.245 4.605 1.00 1.59 H new ATOM 0 HG3 ARG A 515 17.655 -6.715 3.755 1.00 1.59 H new ATOM 0 HD2 ARG A 515 18.068 -5.505 5.888 1.00 1.75 H new ATOM 0 HD3 ARG A 515 18.138 -7.033 6.744 1.00 1.75 H new ATOM 0 HE ARG A 515 20.057 -7.471 4.907 1.00 2.36 H new ATOM 0 HH11 ARG A 515 19.375 -4.595 6.851 1.00 3.44 H new ATOM 0 HH12 ARG A 515 21.063 -4.076 6.877 1.00 3.44 H new ATOM 0 HH21 ARG A 515 22.212 -6.791 4.938 1.00 4.00 H new ATOM 0 HH22 ARG A 515 22.664 -5.315 5.797 1.00 4.00 H new ATOM 275 N LYS A 516 13.163 -6.339 4.737 1.00 0.82 N ATOM 276 CA LYS A 516 11.766 -6.109 5.102 1.00 0.79 C ATOM 277 C LYS A 516 11.329 -7.025 6.243 1.00 0.90 C ATOM 278 O LYS A 516 10.300 -7.700 6.156 1.00 1.11 O ATOM 279 CB LYS A 516 10.860 -6.307 3.880 1.00 0.97 C ATOM 280 CG LYS A 516 11.166 -5.349 2.734 1.00 1.06 C ATOM 281 CD LYS A 516 10.699 -3.935 3.043 1.00 1.07 C ATOM 282 CE LYS A 516 11.227 -2.928 2.030 1.00 1.24 C ATOM 283 NZ LYS A 516 12.682 -2.657 2.203 1.00 1.89 N ATOM 0 H LYS A 516 13.747 -5.504 4.777 1.00 0.82 H new ATOM 0 HA LYS A 516 11.675 -5.080 5.449 1.00 0.79 H new ATOM 0 HB2 LYS A 516 10.963 -7.332 3.524 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.821 -6.178 4.183 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.239 -5.344 2.541 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.680 -5.702 1.825 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.609 -3.906 3.050 1.00 1.07 H new ATOM 0 HD3 LYS A 516 11.031 -3.653 4.042 1.00 1.07 H new ATOM 0 HE2 LYS A 516 11.047 -3.302 1.022 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.672 -1.995 2.127 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 12.965 -1.870 1.584 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 12.873 -2.404 3.194 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 13.226 -3.507 1.952 1.00 1.89 H new ATOM 297 N GLY A 517 12.127 -7.052 7.302 1.00 0.96 N ATOM 298 CA GLY A 517 11.772 -7.813 8.482 1.00 1.13 C ATOM 299 C GLY A 517 11.412 -6.900 9.631 1.00 1.25 C ATOM 300 O GLY A 517 10.233 -6.675 9.913 1.00 2.04 O ATOM 0 H GLY A 517 13.017 -6.558 7.364 1.00 0.96 H new ATOM 0 HA2 GLY A 517 10.930 -8.468 8.256 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.606 -8.453 8.770 1.00 1.13 H new ATOM 304 N ALA A 518 12.429 -6.365 10.289 1.00 1.01 N ATOM 305 CA ALA A 518 12.230 -5.357 11.317 1.00 1.14 C ATOM 306 C ALA A 518 12.217 -3.985 10.666 1.00 1.08 C ATOM 307 O ALA A 518 13.263 -3.362 10.473 1.00 1.75 O ATOM 308 CB ALA A 518 13.317 -5.444 12.376 1.00 1.41 C ATOM 0 H ALA A 518 13.405 -6.614 10.128 1.00 1.01 H new ATOM 0 HA ALA A 518 11.275 -5.530 11.814 1.00 1.14 H new ATOM 0 HB1 ALA A 518 13.148 -4.680 13.135 1.00 1.41 H new ATOM 0 HB2 ALA A 518 13.294 -6.429 12.841 1.00 1.41 H new ATOM 0 HB3 ALA A 518 14.290 -5.285 11.912 1.00 1.41 H new ATOM 314 N GLY A 519 11.029 -3.530 10.315 1.00 0.67 N ATOM 315 CA GLY A 519 10.900 -2.340 9.505 1.00 0.60 C ATOM 316 C GLY A 519 10.508 -2.710 8.098 1.00 0.50 C ATOM 317 O GLY A 519 11.352 -3.130 7.307 1.00 0.51 O ATOM 0 H GLY A 519 10.145 -3.966 10.578 1.00 0.67 H new ATOM 0 HA2 GLY A 519 10.151 -1.677 9.937 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.843 -1.793 9.496 1.00 0.60 H new ATOM 321 N ARG A 520 9.230 -2.601 7.775 1.00 0.46 N ATOM 322 CA ARG A 520 8.786 -2.962 6.442 1.00 0.40 C ATOM 323 C ARG A 520 8.149 -1.778 5.739 1.00 0.34 C ATOM 324 O ARG A 520 7.318 -1.072 6.309 1.00 0.36 O ATOM 325 CB ARG A 520 7.780 -4.109 6.526 1.00 0.44 C ATOM 326 CG ARG A 520 8.332 -5.348 7.204 1.00 0.56 C ATOM 327 CD ARG A 520 7.230 -6.338 7.534 1.00 0.64 C ATOM 328 NE ARG A 520 6.238 -5.762 8.444 1.00 0.93 N ATOM 329 CZ ARG A 520 6.197 -6.001 9.758 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.078 -6.817 10.324 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.265 -5.418 10.502 1.00 2.22 N ATOM 0 H ARG A 520 8.497 -2.273 8.403 1.00 0.46 H new ATOM 0 HA ARG A 520 9.657 -3.276 5.866 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.898 -3.769 7.069 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.453 -4.370 5.519 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.067 -5.823 6.554 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.852 -5.063 8.118 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.739 -6.655 6.614 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.665 -7.229 7.987 1.00 0.64 H new ATOM 0 HE ARG A 520 5.533 -5.139 8.050 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.794 -7.268 9.755 1.00 2.13 H new ATOM 0 HH12 ARG A 520 7.038 -6.993 11.328 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.586 -4.792 10.070 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.228 -5.596 11.506 1.00 2.22 H new ATOM 345 N VAL A 521 8.559 -1.570 4.502 1.00 0.29 N ATOM 346 CA VAL A 521 7.904 -0.619 3.626 1.00 0.24 C ATOM 347 C VAL A 521 7.333 -1.323 2.409 1.00 0.21 C ATOM 348 O VAL A 521 8.062 -1.990 1.668 1.00 0.23 O ATOM 349 CB VAL A 521 8.836 0.518 3.173 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.114 1.442 2.214 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.346 1.293 4.367 1.00 0.32 C ATOM 0 H VAL A 521 9.351 -2.053 4.078 1.00 0.29 H new ATOM 0 HA VAL A 521 7.099 -0.169 4.207 1.00 0.24 H new ATOM 0 HB VAL A 521 9.689 0.079 2.656 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.787 2.241 1.903 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.791 0.878 1.339 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.244 1.873 2.709 1.00 0.27 H new ATOM 0 HG21 VAL A 521 10.004 2.093 4.027 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.503 1.722 4.910 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.899 0.624 5.026 1.00 0.32 H new ATOM 361 N VAL A 522 6.044 -1.173 2.198 1.00 0.20 N ATOM 362 CA VAL A 522 5.410 -1.698 1.009 1.00 0.18 C ATOM 363 C VAL A 522 4.791 -0.533 0.257 1.00 0.18 C ATOM 364 O VAL A 522 3.984 0.206 0.813 1.00 0.19 O ATOM 365 CB VAL A 522 4.331 -2.744 1.352 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.796 -3.407 0.094 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.880 -3.783 2.317 1.00 0.22 C ATOM 0 H VAL A 522 5.412 -0.690 2.837 1.00 0.20 H new ATOM 0 HA VAL A 522 6.157 -2.202 0.396 1.00 0.18 H new ATOM 0 HB VAL A 522 3.503 -2.229 1.838 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.036 -4.141 0.364 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.356 -2.651 -0.556 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.612 -3.906 -0.430 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.103 -4.512 2.547 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.730 -4.290 1.861 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.201 -3.292 3.236 1.00 0.22 H new ATOM 377 N HIS A 523 5.190 -0.337 -0.984 1.00 0.18 N ATOM 378 CA HIS A 523 4.749 0.804 -1.760 1.00 0.18 C ATOM 379 C HIS A 523 3.728 0.370 -2.803 1.00 0.17 C ATOM 380 O HIS A 523 3.947 -0.582 -3.550 1.00 0.18 O ATOM 381 CB HIS A 523 5.971 1.443 -2.437 1.00 0.20 C ATOM 382 CG HIS A 523 5.660 2.538 -3.415 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.631 2.332 -4.775 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.414 3.858 -3.232 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.386 3.474 -5.385 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.251 4.419 -4.475 1.00 0.37 N ATOM 0 H HIS A 523 5.826 -0.961 -1.481 1.00 0.18 H new ATOM 0 HA HIS A 523 4.272 1.533 -1.105 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.627 1.844 -1.664 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.529 0.663 -2.955 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.357 4.373 -2.285 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.309 3.613 -6.453 1.00 0.44 H new ATOM 0 HE2 HIS A 523 5.058 5.403 -4.663 1.00 0.37 H new ATOM 395 N ILE A 524 2.629 1.085 -2.854 1.00 0.16 N ATOM 396 CA ILE A 524 1.582 0.819 -3.812 1.00 0.16 C ATOM 397 C ILE A 524 1.556 1.953 -4.819 1.00 0.17 C ATOM 398 O ILE A 524 1.736 3.112 -4.458 1.00 0.19 O ATOM 399 CB ILE A 524 0.211 0.693 -3.115 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.290 -0.373 -2.019 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.884 0.362 -4.123 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.020 -0.628 -1.310 1.00 0.18 C ATOM 0 H ILE A 524 2.435 1.869 -2.231 1.00 0.16 H new ATOM 0 HA ILE A 524 1.783 -0.127 -4.314 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.044 1.649 -2.659 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.640 -1.307 -2.460 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.035 -0.069 -1.284 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.840 0.278 -3.607 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -0.943 1.154 -4.870 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.653 -0.583 -4.614 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.879 -1.396 -0.549 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.363 0.292 -0.837 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.765 -0.965 -2.031 1.00 0.18 H new ATOM 414 N CYS A 525 1.379 1.628 -6.076 1.00 0.17 N ATOM 415 CA CYS A 525 1.433 2.634 -7.111 1.00 0.18 C ATOM 416 C CYS A 525 0.342 2.427 -8.141 1.00 0.15 C ATOM 417 O CYS A 525 -0.275 1.359 -8.197 1.00 0.16 O ATOM 418 CB CYS A 525 2.809 2.624 -7.778 1.00 0.29 C ATOM 419 SG CYS A 525 3.428 0.973 -8.178 1.00 1.17 S ATOM 0 H CYS A 525 1.197 0.681 -6.407 1.00 0.17 H new ATOM 0 HA CYS A 525 1.268 3.607 -6.648 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.760 3.213 -8.694 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.523 3.118 -7.119 1.00 0.29 H new ATOM 0 HG CYS A 525 2.730 0.081 -7.539 1.00 1.17 H new ATOM 425 N ASN A 526 0.107 3.480 -8.918 1.00 0.15 N ATOM 426 CA ASN A 526 -0.841 3.470 -10.035 1.00 0.16 C ATOM 427 C ASN A 526 -2.251 3.724 -9.539 1.00 0.15 C ATOM 428 O ASN A 526 -3.227 3.328 -10.172 1.00 0.18 O ATOM 429 CB ASN A 526 -0.779 2.165 -10.847 1.00 0.19 C ATOM 430 CG ASN A 526 0.547 1.976 -11.555 1.00 0.21 C ATOM 431 OD1 ASN A 526 1.220 2.943 -11.905 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.931 0.729 -11.779 1.00 0.26 N ATOM 0 H ASN A 526 0.574 4.378 -8.791 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.550 4.277 -10.708 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -0.954 1.320 -10.181 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.582 2.162 -11.584 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.813 0.545 -12.257 1.00 0.26 H new ATOM 0 HD22 ASN A 526 0.345 -0.048 -11.473 1.00 0.26 H new ATOM 439 N LEU A 527 -2.341 4.430 -8.421 1.00 0.15 N ATOM 440 CA LEU A 527 -3.624 4.816 -7.859 1.00 0.17 C ATOM 441 C LEU A 527 -4.109 6.062 -8.584 1.00 0.22 C ATOM 442 O LEU A 527 -3.378 7.041 -8.681 1.00 0.25 O ATOM 443 CB LEU A 527 -3.485 5.106 -6.359 1.00 0.15 C ATOM 444 CG LEU A 527 -3.159 3.901 -5.475 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.796 4.358 -4.072 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.339 2.952 -5.416 1.00 0.21 C ATOM 0 H LEU A 527 -1.534 4.748 -7.884 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.340 4.004 -7.984 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.704 5.854 -6.224 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.416 5.550 -6.006 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.307 3.378 -5.910 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.567 3.490 -3.454 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -1.925 5.012 -4.116 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.636 4.901 -3.637 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.090 2.100 -4.783 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.203 3.471 -5.002 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.574 2.601 -6.421 1.00 0.21 H new ATOM 458 N PRO A 528 -5.318 6.041 -9.148 1.00 0.26 N ATOM 459 CA PRO A 528 -5.835 7.193 -9.874 1.00 0.33 C ATOM 460 C PRO A 528 -6.275 8.317 -8.945 1.00 0.34 C ATOM 461 O PRO A 528 -6.965 8.084 -7.949 1.00 0.32 O ATOM 462 CB PRO A 528 -7.028 6.633 -10.641 1.00 0.38 C ATOM 463 CG PRO A 528 -7.453 5.410 -9.898 1.00 0.37 C ATOM 464 CD PRO A 528 -6.255 4.907 -9.137 1.00 0.29 C ATOM 0 HA PRO A 528 -5.075 7.639 -10.516 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.838 7.361 -10.690 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.754 6.391 -11.668 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.272 5.640 -9.216 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -7.817 4.649 -10.588 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.521 4.620 -8.120 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.821 4.028 -9.613 1.00 0.29 H new ATOM 472 N GLU A 529 -5.880 9.533 -9.290 1.00 0.41 N ATOM 473 CA GLU A 529 -6.290 10.724 -8.559 1.00 0.46 C ATOM 474 C GLU A 529 -7.793 10.915 -8.700 1.00 0.47 C ATOM 475 O GLU A 529 -8.356 10.691 -9.772 1.00 0.53 O ATOM 476 CB GLU A 529 -5.532 11.941 -9.085 1.00 0.57 C ATOM 477 CG GLU A 529 -6.028 13.280 -8.549 1.00 0.66 C ATOM 478 CD GLU A 529 -5.785 13.469 -7.062 1.00 1.12 C ATOM 479 OE1 GLU A 529 -6.607 12.988 -6.247 1.00 1.60 O ATOM 480 OE2 GLU A 529 -4.791 14.133 -6.702 1.00 1.41 O ATOM 0 H GLU A 529 -5.267 9.723 -10.083 1.00 0.41 H new ATOM 0 HA GLU A 529 -6.054 10.606 -7.501 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.477 11.832 -8.833 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.600 11.953 -10.173 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -5.535 14.085 -9.094 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -7.096 13.368 -8.748 1.00 0.66 H new ATOM 487 N GLY A 530 -8.438 11.307 -7.618 1.00 0.46 N ATOM 488 CA GLY A 530 -9.879 11.375 -7.610 1.00 0.48 C ATOM 489 C GLY A 530 -10.474 10.074 -7.133 1.00 0.43 C ATOM 490 O GLY A 530 -11.693 9.897 -7.119 1.00 0.46 O ATOM 0 H GLY A 530 -7.989 11.580 -6.744 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -10.206 12.189 -6.962 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -10.242 11.600 -8.613 1.00 0.48 H new ATOM 494 N SER A 531 -9.602 9.161 -6.732 1.00 0.37 N ATOM 495 CA SER A 531 -10.008 7.819 -6.367 1.00 0.35 C ATOM 496 C SER A 531 -8.980 7.186 -5.429 1.00 0.28 C ATOM 497 O SER A 531 -9.052 5.995 -5.124 1.00 0.30 O ATOM 498 CB SER A 531 -10.165 6.973 -7.628 1.00 0.40 C ATOM 499 OG SER A 531 -10.598 5.661 -7.318 1.00 1.08 O ATOM 0 H SER A 531 -8.600 9.331 -6.652 1.00 0.37 H new ATOM 0 HA SER A 531 -10.964 7.866 -5.845 1.00 0.35 H new ATOM 0 HB2 SER A 531 -10.883 7.446 -8.298 1.00 0.40 H new ATOM 0 HB3 SER A 531 -9.214 6.928 -8.159 1.00 0.40 H new ATOM 0 HG SER A 531 -10.113 5.334 -6.532 1.00 1.08 H new ATOM 505 N CYS A 532 -8.029 7.987 -4.965 1.00 0.24 N ATOM 506 CA CYS A 532 -7.015 7.501 -4.043 1.00 0.20 C ATOM 507 C CYS A 532 -7.512 7.670 -2.619 1.00 0.18 C ATOM 508 O CYS A 532 -7.165 8.638 -1.944 1.00 0.21 O ATOM 509 CB CYS A 532 -5.695 8.265 -4.216 1.00 0.21 C ATOM 510 SG CYS A 532 -4.943 8.111 -5.847 1.00 0.25 S ATOM 0 H CYS A 532 -7.940 8.973 -5.212 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.831 6.448 -4.257 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.873 9.321 -4.011 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.985 7.910 -3.469 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.805 7.602 -6.676 1.00 0.25 H new ATOM 516 N THR A 533 -8.335 6.747 -2.156 1.00 0.17 N ATOM 517 CA THR A 533 -8.867 6.872 -0.818 1.00 0.18 C ATOM 518 C THR A 533 -8.149 5.904 0.096 1.00 0.17 C ATOM 519 O THR A 533 -7.650 4.871 -0.351 1.00 0.18 O ATOM 520 CB THR A 533 -10.387 6.604 -0.755 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.658 5.212 -0.955 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.129 7.424 -1.802 1.00 0.28 C ATOM 0 H THR A 533 -8.642 5.923 -2.674 1.00 0.17 H new ATOM 0 HA THR A 533 -8.706 7.901 -0.497 1.00 0.18 H new ATOM 0 HB THR A 533 -10.737 6.900 0.234 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.906 5.058 -1.891 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.197 7.217 -1.736 1.00 0.28 H new ATOM 0 HG22 THR A 533 -10.954 8.485 -1.625 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.768 7.158 -2.795 1.00 0.28 H new ATOM 530 N GLU A 534 -8.105 6.235 1.372 1.00 0.19 N ATOM 531 CA GLU A 534 -7.447 5.396 2.356 1.00 0.20 C ATOM 532 C GLU A 534 -8.152 4.059 2.442 1.00 0.19 C ATOM 533 O GLU A 534 -7.532 3.025 2.686 1.00 0.20 O ATOM 534 CB GLU A 534 -7.381 6.091 3.719 1.00 0.23 C ATOM 535 CG GLU A 534 -6.581 7.401 3.706 1.00 0.27 C ATOM 536 CD GLU A 534 -7.296 8.529 2.988 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.514 8.702 3.195 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.635 9.263 2.221 1.00 1.64 O ATOM 0 H GLU A 534 -8.520 7.085 1.754 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.418 5.221 2.041 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.395 6.298 4.061 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.934 5.410 4.443 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.376 7.704 4.733 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -5.618 7.226 3.227 1.00 0.27 H new ATOM 545 N ASN A 535 -9.458 4.096 2.227 1.00 0.20 N ATOM 546 CA ASN A 535 -10.280 2.905 2.312 1.00 0.22 C ATOM 547 C ASN A 535 -9.867 1.875 1.263 1.00 0.21 C ATOM 548 O ASN A 535 -9.595 0.741 1.609 1.00 0.21 O ATOM 549 CB ASN A 535 -11.756 3.261 2.120 1.00 0.27 C ATOM 550 CG ASN A 535 -12.674 2.084 2.392 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.432 1.290 3.301 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.719 1.951 1.591 1.00 1.38 N ATOM 0 H ASN A 535 -9.971 4.945 1.991 1.00 0.20 H new ATOM 0 HA ASN A 535 -10.136 2.473 3.302 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -12.018 4.084 2.785 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.913 3.613 1.100 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.360 1.168 1.715 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.883 2.632 0.850 1.00 1.38 H new ATOM 559 N ASP A 536 -9.721 2.292 0.003 1.00 0.21 N ATOM 560 CA ASP A 536 -9.506 1.334 -1.094 1.00 0.22 C ATOM 561 C ASP A 536 -8.134 0.681 -0.980 1.00 0.17 C ATOM 562 O ASP A 536 -7.986 -0.536 -1.096 1.00 0.16 O ATOM 563 CB ASP A 536 -9.605 2.022 -2.464 1.00 0.27 C ATOM 564 CG ASP A 536 -10.927 2.721 -2.700 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.982 2.101 -2.449 1.00 0.44 O ATOM 566 OD2 ASP A 536 -10.928 3.882 -3.148 1.00 0.61 O ATOM 0 H ASP A 536 -9.746 3.270 -0.285 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.286 0.577 -1.013 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -8.798 2.749 -2.554 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.453 1.278 -3.246 1.00 0.27 H new ATOM 571 N VAL A 537 -7.147 1.526 -0.736 1.00 0.15 N ATOM 572 CA VAL A 537 -5.756 1.102 -0.650 1.00 0.13 C ATOM 573 C VAL A 537 -5.592 0.078 0.478 1.00 0.12 C ATOM 574 O VAL A 537 -5.016 -1.007 0.300 1.00 0.13 O ATOM 575 CB VAL A 537 -4.835 2.323 -0.414 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.368 1.938 -0.477 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.134 3.406 -1.436 1.00 0.13 C ATOM 0 H VAL A 537 -7.285 2.526 -0.592 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.469 0.634 -1.592 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.036 2.704 0.587 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.752 2.821 -0.307 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.154 1.193 0.290 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.143 1.523 -1.459 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.481 4.261 -1.262 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.962 3.017 -2.440 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.174 3.719 -1.341 1.00 0.13 H new ATOM 587 N ILE A 538 -6.139 0.416 1.629 1.00 0.12 N ATOM 588 CA ILE A 538 -6.122 -0.473 2.771 1.00 0.12 C ATOM 589 C ILE A 538 -7.023 -1.696 2.558 1.00 0.12 C ATOM 590 O ILE A 538 -6.715 -2.782 3.046 1.00 0.12 O ATOM 591 CB ILE A 538 -6.490 0.260 4.069 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.427 1.302 4.402 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.628 -0.730 5.209 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.709 2.051 5.680 1.00 0.23 C ATOM 0 H ILE A 538 -6.604 1.308 1.797 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.098 -0.832 2.872 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.445 0.765 3.928 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.458 0.810 4.483 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.355 2.014 3.580 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.889 -0.198 6.124 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.411 -1.451 4.972 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.683 -1.255 5.352 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.916 2.777 5.859 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.663 2.571 5.594 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.752 1.348 6.512 1.00 0.23 H new ATOM 606 N ASN A 539 -8.143 -1.525 1.850 1.00 0.12 N ATOM 607 CA ASN A 539 -9.033 -2.653 1.556 1.00 0.14 C ATOM 608 C ASN A 539 -8.295 -3.729 0.787 1.00 0.15 C ATOM 609 O ASN A 539 -8.691 -4.887 0.813 1.00 0.17 O ATOM 610 CB ASN A 539 -10.286 -2.269 0.750 1.00 0.17 C ATOM 611 CG ASN A 539 -11.302 -1.434 1.509 1.00 0.20 C ATOM 612 OD1 ASN A 539 -12.101 -0.725 0.901 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.285 -1.502 2.829 1.00 0.21 N ATOM 0 H ASN A 539 -8.453 -0.629 1.474 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.361 -3.014 2.531 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.975 -1.718 -0.138 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.772 -3.181 0.405 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -11.949 -0.955 3.376 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.607 -2.101 3.300 1.00 0.21 H new ATOM 620 N LEU A 540 -7.263 -3.343 0.053 1.00 0.15 N ATOM 621 CA LEU A 540 -6.410 -4.323 -0.593 1.00 0.17 C ATOM 622 C LEU A 540 -5.491 -4.967 0.441 1.00 0.16 C ATOM 623 O LEU A 540 -5.291 -6.179 0.442 1.00 0.19 O ATOM 624 CB LEU A 540 -5.560 -3.651 -1.668 1.00 0.19 C ATOM 625 CG LEU A 540 -6.335 -2.983 -2.802 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.371 -2.350 -3.788 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.242 -3.983 -3.503 1.00 0.24 C ATOM 0 H LEU A 540 -7.000 -2.371 -0.108 1.00 0.15 H new ATOM 0 HA LEU A 540 -7.038 -5.086 -1.053 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.930 -2.900 -1.191 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.894 -4.398 -2.099 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.965 -2.202 -2.377 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.933 -1.876 -4.593 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.768 -1.600 -3.276 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.719 -3.118 -4.204 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.783 -3.483 -4.306 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.640 -4.791 -3.919 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.954 -4.393 -2.787 1.00 0.24 H new ATOM 639 N GLY A 541 -4.953 -4.136 1.335 1.00 0.14 N ATOM 640 CA GLY A 541 -4.052 -4.628 2.370 1.00 0.16 C ATOM 641 C GLY A 541 -4.673 -5.594 3.370 1.00 0.15 C ATOM 642 O GLY A 541 -4.166 -6.695 3.573 1.00 0.19 O ATOM 0 H GLY A 541 -5.125 -3.131 1.361 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.208 -5.122 1.889 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.652 -3.774 2.916 1.00 0.16 H new ATOM 646 N LEU A 542 -5.788 -5.203 3.963 1.00 0.13 N ATOM 647 CA LEU A 542 -6.355 -5.925 5.109 1.00 0.14 C ATOM 648 C LEU A 542 -6.637 -7.418 4.860 1.00 0.16 C ATOM 649 O LEU A 542 -6.321 -8.243 5.717 1.00 0.20 O ATOM 650 CB LEU A 542 -7.618 -5.224 5.598 1.00 0.13 C ATOM 651 CG LEU A 542 -7.371 -3.910 6.331 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.675 -3.166 6.548 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.680 -4.174 7.659 1.00 0.16 C ATOM 0 H LEU A 542 -6.327 -4.387 3.674 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.582 -5.902 5.877 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.265 -5.032 4.742 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.159 -5.899 6.261 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.722 -3.286 5.717 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.478 -2.231 7.073 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.136 -2.951 5.584 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.350 -3.781 7.144 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.508 -3.229 8.174 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.310 -4.814 8.276 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.725 -4.668 7.480 1.00 0.16 H new ATOM 665 N PRO A 543 -7.247 -7.804 3.723 1.00 0.17 N ATOM 666 CA PRO A 543 -7.576 -9.210 3.453 1.00 0.19 C ATOM 667 C PRO A 543 -6.355 -10.132 3.423 1.00 0.20 C ATOM 668 O PRO A 543 -6.473 -11.326 3.706 1.00 0.23 O ATOM 669 CB PRO A 543 -8.245 -9.164 2.077 1.00 0.22 C ATOM 670 CG PRO A 543 -8.753 -7.775 1.965 1.00 0.21 C ATOM 671 CD PRO A 543 -7.710 -6.933 2.634 1.00 0.17 C ATOM 0 HA PRO A 543 -8.204 -9.623 4.242 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.536 -9.394 1.282 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.054 -9.891 2.003 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.887 -7.485 0.923 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.722 -7.667 2.453 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.901 -6.672 1.952 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.124 -5.998 3.011 1.00 0.17 H new ATOM 679 N PHE A 544 -5.185 -9.596 3.088 1.00 0.20 N ATOM 680 CA PHE A 544 -3.976 -10.408 3.044 1.00 0.22 C ATOM 681 C PHE A 544 -3.128 -10.205 4.296 1.00 0.22 C ATOM 682 O PHE A 544 -2.135 -10.904 4.498 1.00 0.28 O ATOM 683 CB PHE A 544 -3.141 -10.065 1.809 1.00 0.23 C ATOM 684 CG PHE A 544 -3.855 -10.238 0.504 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.935 -11.478 -0.104 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.436 -9.149 -0.121 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.585 -11.630 -1.312 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.087 -9.292 -1.328 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.162 -10.535 -1.925 1.00 0.33 C ATOM 0 H PHE A 544 -5.050 -8.614 2.846 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.286 -11.452 2.994 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.805 -9.031 1.890 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.248 -10.691 1.805 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.484 -12.336 0.372 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.379 -8.175 0.342 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.642 -12.603 -1.777 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.537 -8.434 -1.805 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.671 -10.651 -2.870 1.00 0.33 H new ATOM 699 N GLY A 545 -3.513 -9.253 5.132 1.00 0.19 N ATOM 700 CA GLY A 545 -2.758 -8.983 6.339 1.00 0.21 C ATOM 701 C GLY A 545 -3.195 -7.701 7.013 1.00 0.21 C ATOM 702 O GLY A 545 -3.670 -6.779 6.355 1.00 0.44 O ATOM 0 H GLY A 545 -4.334 -8.663 4.997 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.877 -9.815 7.033 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.697 -8.920 6.095 1.00 0.21 H new ATOM 706 N LYS A 546 -3.037 -7.637 8.328 1.00 0.27 N ATOM 707 CA LYS A 546 -3.459 -6.470 9.086 1.00 0.25 C ATOM 708 C LYS A 546 -2.626 -5.245 8.720 1.00 0.20 C ATOM 709 O LYS A 546 -1.394 -5.289 8.727 1.00 0.24 O ATOM 710 CB LYS A 546 -3.345 -6.737 10.588 1.00 0.35 C ATOM 711 CG LYS A 546 -3.918 -5.619 11.443 1.00 0.41 C ATOM 712 CD LYS A 546 -3.604 -5.814 12.917 1.00 0.92 C ATOM 713 CE LYS A 546 -2.116 -5.669 13.196 1.00 1.60 C ATOM 714 NZ LYS A 546 -1.812 -5.751 14.647 1.00 2.07 N ATOM 0 H LYS A 546 -2.620 -8.379 8.890 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.500 -6.271 8.834 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.862 -7.667 10.825 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.296 -6.881 10.846 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.514 -4.663 11.109 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.998 -5.574 11.305 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.158 -5.084 13.507 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.940 -6.801 13.234 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -1.570 -6.450 12.666 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -1.765 -4.714 12.805 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -0.788 -5.648 14.793 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -2.312 -4.991 15.150 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -2.123 -6.673 15.015 1.00 2.07 H new ATOM 728 N VAL A 547 -3.317 -4.162 8.401 1.00 0.16 N ATOM 729 CA VAL A 547 -2.679 -2.898 8.081 1.00 0.15 C ATOM 730 C VAL A 547 -2.458 -2.079 9.347 1.00 0.18 C ATOM 731 O VAL A 547 -3.413 -1.694 10.024 1.00 0.20 O ATOM 732 CB VAL A 547 -3.545 -2.102 7.080 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.988 -0.709 6.835 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.659 -2.865 5.771 1.00 0.14 C ATOM 0 H VAL A 547 -4.336 -4.136 8.357 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.711 -3.104 7.625 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.537 -1.984 7.516 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.626 -0.182 6.125 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.959 -0.158 7.775 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.980 -0.787 6.428 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.271 -2.297 5.071 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.665 -3.012 5.348 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.122 -3.834 5.954 1.00 0.14 H new ATOM 744 N THR A 548 -1.199 -1.843 9.678 1.00 0.20 N ATOM 745 CA THR A 548 -0.854 -1.062 10.855 1.00 0.23 C ATOM 746 C THR A 548 -0.611 0.403 10.515 1.00 0.23 C ATOM 747 O THR A 548 -1.018 1.298 11.260 1.00 0.27 O ATOM 748 CB THR A 548 0.399 -1.648 11.521 1.00 0.27 C ATOM 749 OG1 THR A 548 1.412 -1.866 10.527 1.00 0.26 O ATOM 750 CG2 THR A 548 0.078 -2.957 12.224 1.00 0.31 C ATOM 0 H THR A 548 -0.397 -2.182 9.147 1.00 0.20 H new ATOM 0 HA THR A 548 -1.700 -1.111 11.541 1.00 0.23 H new ATOM 0 HB THR A 548 0.760 -0.939 12.266 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.118 -1.194 10.626 1.00 0.26 H new ATOM 0 HG21 THR A 548 0.982 -3.352 12.688 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.677 -2.783 12.991 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.301 -3.676 11.498 1.00 0.31 H new ATOM 758 N ASN A 549 -0.012 0.636 9.359 1.00 0.20 N ATOM 759 CA ASN A 549 0.331 1.984 8.917 1.00 0.21 C ATOM 760 C ASN A 549 0.079 2.104 7.426 1.00 0.18 C ATOM 761 O ASN A 549 0.097 1.109 6.706 1.00 0.20 O ATOM 762 CB ASN A 549 1.814 2.321 9.193 1.00 0.26 C ATOM 763 CG ASN A 549 2.156 2.606 10.650 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.493 2.152 11.578 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.234 3.345 10.863 1.00 0.81 N ATOM 0 H ASN A 549 0.251 -0.098 8.701 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.292 2.682 9.476 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.429 1.489 8.848 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.089 3.190 8.595 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.532 3.550 11.817 1.00 0.81 H new ATOM 0 HD22 ASN A 549 3.767 3.710 10.073 1.00 0.81 H new ATOM 772 N TYR A 550 -0.178 3.314 6.971 1.00 0.17 N ATOM 773 CA TYR A 550 -0.427 3.563 5.567 1.00 0.17 C ATOM 774 C TYR A 550 -0.189 5.031 5.256 1.00 0.17 C ATOM 775 O TYR A 550 -0.343 5.886 6.127 1.00 0.17 O ATOM 776 CB TYR A 550 -1.864 3.169 5.213 1.00 0.17 C ATOM 777 CG TYR A 550 -2.916 3.927 5.997 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.785 4.786 5.352 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.036 3.789 7.378 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.745 5.486 6.052 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.995 4.487 8.084 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.847 5.335 7.414 1.00 0.25 C ATOM 783 OH TYR A 550 -5.809 6.034 8.103 1.00 0.31 O ATOM 0 H TYR A 550 -0.220 4.146 7.560 1.00 0.17 H new ATOM 0 HA TYR A 550 0.256 2.961 4.968 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.026 3.338 4.148 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -1.992 2.101 5.389 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.711 4.911 4.282 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.367 3.125 7.905 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.416 6.152 5.530 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.076 4.369 9.154 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.309 5.420 8.681 1.00 0.31 H new ATOM 793 N ILE A 551 0.186 5.319 4.022 1.00 0.18 N ATOM 794 CA ILE A 551 0.464 6.679 3.591 1.00 0.16 C ATOM 795 C ILE A 551 -0.025 6.823 2.167 1.00 0.17 C ATOM 796 O ILE A 551 0.414 6.080 1.299 1.00 0.20 O ATOM 797 CB ILE A 551 1.983 6.964 3.593 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.608 6.618 4.948 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.265 8.416 3.233 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.118 6.697 4.958 1.00 0.20 C ATOM 0 H ILE A 551 0.306 4.618 3.291 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.031 7.372 4.271 1.00 0.16 H new ATOM 0 HB ILE A 551 2.439 6.327 2.835 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.212 7.296 5.704 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.304 5.611 5.232 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.341 8.591 3.241 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.871 8.628 2.239 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.785 9.071 3.960 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.489 6.439 5.950 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.524 5.999 4.226 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.431 7.710 4.706 1.00 0.20 H new ATOM 812 N LEU A 552 -0.924 7.744 1.898 1.00 0.16 N ATOM 813 CA LEU A 552 -1.404 7.889 0.541 1.00 0.19 C ATOM 814 C LEU A 552 -0.894 9.178 -0.056 1.00 0.19 C ATOM 815 O LEU A 552 -1.119 10.247 0.504 1.00 0.26 O ATOM 816 CB LEU A 552 -2.921 7.844 0.456 1.00 0.27 C ATOM 817 CG LEU A 552 -3.583 6.581 0.981 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.020 6.555 0.533 1.00 0.43 C ATOM 819 CD2 LEU A 552 -2.858 5.331 0.530 1.00 0.42 C ATOM 0 H LEU A 552 -1.328 8.387 2.579 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.020 7.042 -0.028 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.321 8.695 1.007 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.210 7.975 -0.587 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.537 6.595 2.070 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.501 5.651 0.906 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.539 7.430 0.924 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.062 6.565 -0.556 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.365 4.452 0.928 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -2.854 5.285 -0.559 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -1.831 5.354 0.896 1.00 0.42 H new ATOM 831 N MET A 553 -0.261 9.101 -1.210 1.00 0.18 N ATOM 832 CA MET A 553 0.261 10.301 -1.833 1.00 0.26 C ATOM 833 C MET A 553 -0.569 10.617 -3.056 1.00 0.26 C ATOM 834 O MET A 553 -0.224 10.248 -4.179 1.00 0.25 O ATOM 835 CB MET A 553 1.726 10.126 -2.230 1.00 0.35 C ATOM 836 CG MET A 553 2.652 9.831 -1.064 1.00 0.56 C ATOM 837 SD MET A 553 4.343 9.524 -1.598 1.00 1.03 S ATOM 838 CE MET A 553 4.122 8.056 -2.595 1.00 0.80 C ATOM 0 H MET A 553 -0.098 8.237 -1.727 1.00 0.18 H new ATOM 0 HA MET A 553 0.206 11.122 -1.118 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.801 9.315 -2.954 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.067 11.032 -2.731 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.639 10.672 -0.370 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.282 8.963 -0.519 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.021 7.442 -2.542 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.271 7.487 -2.221 1.00 0.80 H new ATOM 0 HE3 MET A 553 3.939 8.343 -3.630 1.00 0.80 H new ATOM 848 N LYS A 554 -1.677 11.295 -2.814 1.00 0.32 N ATOM 849 CA LYS A 554 -2.562 11.758 -3.875 1.00 0.37 C ATOM 850 C LYS A 554 -1.819 12.568 -4.939 1.00 0.38 C ATOM 851 O LYS A 554 -2.217 12.577 -6.100 1.00 0.40 O ATOM 852 CB LYS A 554 -3.702 12.591 -3.274 1.00 0.47 C ATOM 853 CG LYS A 554 -4.149 12.139 -1.883 1.00 0.43 C ATOM 854 CD LYS A 554 -4.589 10.680 -1.851 1.00 0.37 C ATOM 855 CE LYS A 554 -5.012 10.253 -0.450 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.222 10.973 0.034 1.00 1.03 N ATOM 0 H LYS A 554 -1.991 11.542 -1.876 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.971 10.877 -4.370 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.385 13.633 -3.220 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.558 12.553 -3.948 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.330 12.283 -1.178 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.972 12.770 -1.548 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.419 10.534 -2.543 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.772 10.045 -2.195 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.207 9.181 -0.446 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.189 10.430 0.242 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.592 10.498 0.882 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.971 11.955 0.268 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.949 10.970 -0.710 1.00 1.03 H new ATOM 870 N SER A 555 -0.733 13.222 -4.552 1.00 0.40 N ATOM 871 CA SER A 555 -0.012 14.100 -5.458 1.00 0.44 C ATOM 872 C SER A 555 0.690 13.307 -6.565 1.00 0.38 C ATOM 873 O SER A 555 0.646 13.681 -7.738 1.00 0.38 O ATOM 874 CB SER A 555 1.010 14.908 -4.661 1.00 0.51 C ATOM 875 OG SER A 555 1.892 14.045 -3.962 1.00 0.50 O ATOM 0 H SER A 555 -0.333 13.160 -3.616 1.00 0.40 H new ATOM 0 HA SER A 555 -0.726 14.771 -5.936 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.578 15.551 -5.334 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.496 15.561 -3.955 1.00 0.51 H new ATOM 0 HG SER A 555 2.541 14.579 -3.458 1.00 0.50 H new ATOM 881 N THR A 556 1.338 12.212 -6.186 1.00 0.34 N ATOM 882 CA THR A 556 2.107 11.415 -7.129 1.00 0.32 C ATOM 883 C THR A 556 1.328 10.198 -7.609 1.00 0.27 C ATOM 884 O THR A 556 1.843 9.387 -8.383 1.00 0.28 O ATOM 885 CB THR A 556 3.432 10.942 -6.502 1.00 0.36 C ATOM 886 OG1 THR A 556 3.174 10.257 -5.269 1.00 0.34 O ATOM 887 CG2 THR A 556 4.368 12.111 -6.251 1.00 0.45 C ATOM 0 H THR A 556 1.345 11.857 -5.230 1.00 0.34 H new ATOM 0 HA THR A 556 2.315 12.059 -7.983 1.00 0.32 H new ATOM 0 HB THR A 556 3.913 10.261 -7.204 1.00 0.36 H new ATOM 0 HG1 THR A 556 4.020 10.099 -4.799 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.295 11.746 -5.808 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.588 12.610 -7.195 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.894 12.817 -5.570 1.00 0.45 H new ATOM 895 N ASN A 557 0.083 10.087 -7.148 1.00 0.26 N ATOM 896 CA ASN A 557 -0.780 8.952 -7.476 1.00 0.26 C ATOM 897 C ASN A 557 -0.122 7.644 -7.044 1.00 0.21 C ATOM 898 O ASN A 557 -0.212 6.615 -7.722 1.00 0.25 O ATOM 899 CB ASN A 557 -1.093 8.925 -8.976 1.00 0.31 C ATOM 900 CG ASN A 557 -1.956 10.090 -9.424 1.00 0.38 C ATOM 901 OD1 ASN A 557 -1.893 11.184 -8.865 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.775 9.862 -10.439 1.00 1.28 N ATOM 0 H ASN A 557 -0.355 10.778 -6.539 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.719 9.065 -6.934 1.00 0.26 H new ATOM 0 HB2 ASN A 557 -0.158 8.936 -9.537 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.599 7.991 -9.219 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -3.381 10.607 -10.782 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.800 8.941 -10.878 1.00 1.28 H new ATOM 909 N GLN A 558 0.531 7.703 -5.893 1.00 0.17 N ATOM 910 CA GLN A 558 1.257 6.570 -5.337 1.00 0.17 C ATOM 911 C GLN A 558 1.011 6.521 -3.841 1.00 0.16 C ATOM 912 O GLN A 558 0.520 7.488 -3.271 1.00 0.20 O ATOM 913 CB GLN A 558 2.754 6.689 -5.633 1.00 0.22 C ATOM 914 CG GLN A 558 3.083 6.635 -7.113 1.00 0.29 C ATOM 915 CD GLN A 558 4.568 6.753 -7.391 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.398 6.344 -6.580 1.00 0.78 O ATOM 917 NE2 GLN A 558 4.911 7.307 -8.543 1.00 0.84 N ATOM 0 H GLN A 558 0.573 8.542 -5.315 1.00 0.17 H new ATOM 0 HA GLN A 558 0.902 5.648 -5.797 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.125 7.627 -5.220 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.283 5.885 -5.121 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.714 5.697 -7.528 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.557 7.440 -7.627 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.190 7.633 -9.187 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.896 7.408 -8.787 1.00 0.84 H new ATOM 926 N ALA A 559 1.315 5.407 -3.199 1.00 0.15 N ATOM 927 CA ALA A 559 1.000 5.254 -1.792 1.00 0.14 C ATOM 928 C ALA A 559 1.870 4.197 -1.114 1.00 0.14 C ATOM 929 O ALA A 559 2.586 3.447 -1.769 1.00 0.16 O ATOM 930 CB ALA A 559 -0.463 4.916 -1.640 1.00 0.15 C ATOM 0 H ALA A 559 1.775 4.603 -3.625 1.00 0.15 H new ATOM 0 HA ALA A 559 1.213 6.200 -1.295 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.702 4.801 -0.583 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.068 5.718 -2.063 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.678 3.985 -2.164 1.00 0.15 H new ATOM 936 N PHE A 560 1.838 4.196 0.207 1.00 0.14 N ATOM 937 CA PHE A 560 2.545 3.203 1.010 1.00 0.15 C ATOM 938 C PHE A 560 1.582 2.451 1.915 1.00 0.14 C ATOM 939 O PHE A 560 0.597 3.012 2.399 1.00 0.16 O ATOM 940 CB PHE A 560 3.637 3.851 1.858 1.00 0.16 C ATOM 941 CG PHE A 560 4.780 4.411 1.064 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.911 3.654 0.831 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.712 5.688 0.537 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.957 4.160 0.087 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.755 6.202 -0.207 1.00 0.35 C ATOM 946 CZ PHE A 560 6.908 5.458 -0.374 1.00 0.30 C ATOM 0 H PHE A 560 1.322 4.882 0.757 1.00 0.14 H new ATOM 0 HA PHE A 560 3.009 2.500 0.318 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.194 4.651 2.451 1.00 0.16 H new ATOM 0 HB3 PHE A 560 4.024 3.112 2.559 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.978 2.655 1.236 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.832 6.290 0.710 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.813 3.540 -0.134 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.671 7.180 -0.656 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.767 5.892 -0.864 1.00 0.30 H new ATOM 956 N LEU A 561 1.885 1.185 2.144 1.00 0.14 N ATOM 957 CA LEU A 561 1.050 0.319 2.955 1.00 0.14 C ATOM 958 C LEU A 561 1.919 -0.530 3.883 1.00 0.16 C ATOM 959 O LEU A 561 2.778 -1.281 3.426 1.00 0.18 O ATOM 960 CB LEU A 561 0.217 -0.573 2.027 1.00 0.15 C ATOM 961 CG LEU A 561 -0.807 -1.486 2.701 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.859 -0.658 3.426 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.458 -2.396 1.666 1.00 0.20 C ATOM 0 H LEU A 561 2.718 0.729 1.772 1.00 0.14 H new ATOM 0 HA LEU A 561 0.383 0.919 3.574 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.310 0.068 1.320 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.899 -1.194 1.447 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.295 -2.107 3.436 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.581 -1.322 3.901 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.377 -0.043 4.186 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.373 -0.015 2.711 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.186 -3.042 2.156 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -1.961 -1.789 0.913 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.693 -3.008 1.187 1.00 0.20 H new ATOM 975 N GLU A 562 1.711 -0.389 5.184 1.00 0.17 N ATOM 976 CA GLU A 562 2.452 -1.184 6.155 1.00 0.20 C ATOM 977 C GLU A 562 1.611 -2.351 6.634 1.00 0.18 C ATOM 978 O GLU A 562 0.457 -2.189 7.040 1.00 0.18 O ATOM 979 CB GLU A 562 2.891 -0.353 7.359 1.00 0.27 C ATOM 980 CG GLU A 562 3.904 -1.069 8.242 1.00 0.57 C ATOM 981 CD GLU A 562 4.243 -0.300 9.502 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.973 0.708 9.412 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.790 -0.709 10.593 1.00 1.21 O ATOM 0 H GLU A 562 1.040 0.263 5.591 1.00 0.17 H new ATOM 0 HA GLU A 562 3.345 -1.552 5.651 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.322 0.584 7.008 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.015 -0.097 7.955 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.510 -2.048 8.516 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.817 -1.241 7.672 1.00 0.57 H new ATOM 990 N MET A 563 2.207 -3.523 6.585 1.00 0.25 N ATOM 991 CA MET A 563 1.530 -4.756 6.928 1.00 0.23 C ATOM 992 C MET A 563 2.189 -5.370 8.151 1.00 0.27 C ATOM 993 O MET A 563 3.361 -5.108 8.428 1.00 0.39 O ATOM 994 CB MET A 563 1.607 -5.697 5.731 1.00 0.25 C ATOM 995 CG MET A 563 1.146 -5.030 4.446 1.00 0.25 C ATOM 996 SD MET A 563 1.756 -5.848 2.969 1.00 0.31 S ATOM 997 CE MET A 563 1.137 -4.744 1.700 1.00 0.25 C ATOM 0 H MET A 563 3.180 -3.648 6.305 1.00 0.25 H new ATOM 0 HA MET A 563 0.483 -4.569 7.167 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.633 -6.045 5.610 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.993 -6.577 5.922 1.00 0.25 H new ATOM 0 HG2 MET A 563 0.056 -5.015 4.422 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.479 -3.992 4.443 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.292 -5.194 0.719 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.072 -4.572 1.856 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.670 -3.795 1.752 1.00 0.25 H new ATOM 1007 N ALA A 564 1.435 -6.187 8.876 1.00 0.28 N ATOM 1008 CA ALA A 564 1.857 -6.678 10.183 1.00 0.33 C ATOM 1009 C ALA A 564 2.963 -7.719 10.082 1.00 0.27 C ATOM 1010 O ALA A 564 3.658 -7.983 11.062 1.00 0.40 O ATOM 1011 CB ALA A 564 0.667 -7.250 10.934 1.00 0.50 C ATOM 0 H ALA A 564 0.520 -6.526 8.578 1.00 0.28 H new ATOM 0 HA ALA A 564 2.263 -5.829 10.732 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.993 -7.614 11.909 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.085 -6.473 11.070 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.239 -8.074 10.364 1.00 0.50 H new ATOM 1017 N TYR A 565 3.122 -8.311 8.907 1.00 0.27 N ATOM 1018 CA TYR A 565 4.142 -9.329 8.699 1.00 0.37 C ATOM 1019 C TYR A 565 4.708 -9.236 7.287 1.00 0.33 C ATOM 1020 O TYR A 565 4.048 -8.731 6.377 1.00 0.29 O ATOM 1021 CB TYR A 565 3.562 -10.727 8.933 1.00 0.55 C ATOM 1022 CG TYR A 565 3.063 -10.959 10.340 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.706 -10.917 10.630 1.00 0.75 C ATOM 1024 CD2 TYR A 565 3.949 -11.205 11.381 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.247 -11.115 11.916 1.00 0.90 C ATOM 1026 CE2 TYR A 565 3.497 -11.406 12.668 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.145 -11.358 12.931 1.00 0.98 C ATOM 1028 OH TYR A 565 1.690 -11.558 14.215 1.00 1.15 O ATOM 0 H TYR A 565 2.558 -8.104 8.083 1.00 0.27 H new ATOM 0 HA TYR A 565 4.945 -9.156 9.415 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.740 -10.889 8.236 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.326 -11.469 8.703 1.00 0.55 H new ATOM 0 HD1 TYR A 565 0.999 -10.726 9.837 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.009 -11.239 11.179 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.188 -11.080 12.126 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.199 -11.600 13.466 1.00 1.00 H new ATOM 0 HH TYR A 565 2.452 -11.718 14.811 1.00 1.15 H new ATOM 1038 N THR A 566 5.930 -9.729 7.116 1.00 0.39 N ATOM 1039 CA THR A 566 6.589 -9.715 5.815 1.00 0.40 C ATOM 1040 C THR A 566 5.869 -10.671 4.858 1.00 0.36 C ATOM 1041 O THR A 566 5.854 -10.466 3.642 1.00 0.35 O ATOM 1042 CB THR A 566 8.094 -10.078 5.932 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.809 -9.633 4.774 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.304 -11.575 6.105 1.00 0.57 C ATOM 0 H THR A 566 6.485 -10.144 7.864 1.00 0.39 H new ATOM 0 HA THR A 566 6.533 -8.703 5.415 1.00 0.40 H new ATOM 0 HB THR A 566 8.476 -9.572 6.819 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.426 -8.915 5.027 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.371 -11.786 6.183 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.800 -11.911 7.012 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.892 -12.102 5.245 1.00 0.57 H new ATOM 1052 N GLU A 567 5.243 -11.699 5.435 1.00 0.38 N ATOM 1053 CA GLU A 567 4.454 -12.663 4.675 1.00 0.40 C ATOM 1054 C GLU A 567 3.314 -11.971 3.937 1.00 0.31 C ATOM 1055 O GLU A 567 2.926 -12.383 2.844 1.00 0.32 O ATOM 1056 CB GLU A 567 3.889 -13.739 5.606 1.00 0.49 C ATOM 1057 CG GLU A 567 2.910 -13.201 6.638 1.00 0.55 C ATOM 1058 CD GLU A 567 2.429 -14.266 7.599 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.195 -14.635 8.513 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.286 -14.739 7.445 1.00 0.84 O ATOM 0 H GLU A 567 5.270 -11.884 6.438 1.00 0.38 H new ATOM 0 HA GLU A 567 5.110 -13.132 3.941 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.390 -14.500 5.006 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.714 -14.230 6.122 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.387 -12.398 7.201 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.052 -12.765 6.126 1.00 0.55 H new ATOM 1067 N ALA A 568 2.790 -10.911 4.541 1.00 0.26 N ATOM 1068 CA ALA A 568 1.668 -10.189 3.972 1.00 0.24 C ATOM 1069 C ALA A 568 2.129 -9.383 2.773 1.00 0.21 C ATOM 1070 O ALA A 568 1.460 -9.344 1.742 1.00 0.22 O ATOM 1071 CB ALA A 568 1.027 -9.288 5.016 1.00 0.25 C ATOM 0 H ALA A 568 3.128 -10.535 5.427 1.00 0.26 H new ATOM 0 HA ALA A 568 0.917 -10.906 3.642 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.187 -8.755 4.570 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.671 -9.893 5.850 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.763 -8.569 5.377 1.00 0.25 H new ATOM 1077 N ALA A 569 3.300 -8.774 2.906 1.00 0.19 N ATOM 1078 CA ALA A 569 3.845 -7.924 1.862 1.00 0.21 C ATOM 1079 C ALA A 569 4.152 -8.725 0.612 1.00 0.22 C ATOM 1080 O ALA A 569 3.791 -8.331 -0.495 1.00 0.24 O ATOM 1081 CB ALA A 569 5.102 -7.229 2.362 1.00 0.23 C ATOM 0 H ALA A 569 3.892 -8.855 3.733 1.00 0.19 H new ATOM 0 HA ALA A 569 3.097 -7.173 1.607 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.505 -6.593 1.573 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.859 -6.618 3.231 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.845 -7.977 2.640 1.00 0.23 H new ATOM 1087 N GLN A 570 4.789 -9.872 0.798 1.00 0.24 N ATOM 1088 CA GLN A 570 5.156 -10.718 -0.326 1.00 0.28 C ATOM 1089 C GLN A 570 3.911 -11.325 -0.970 1.00 0.27 C ATOM 1090 O GLN A 570 3.837 -11.452 -2.190 1.00 0.29 O ATOM 1091 CB GLN A 570 6.141 -11.809 0.110 1.00 0.34 C ATOM 1092 CG GLN A 570 5.586 -12.775 1.142 1.00 0.38 C ATOM 1093 CD GLN A 570 6.619 -13.772 1.626 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.306 -13.542 2.621 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.735 -14.887 0.928 1.00 1.04 N ATOM 0 H GLN A 570 5.061 -10.236 1.711 1.00 0.24 H new ATOM 0 HA GLN A 570 5.655 -10.099 -1.072 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.452 -12.374 -0.769 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.034 -11.335 0.517 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.205 -12.211 1.993 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.741 -13.313 0.712 1.00 0.38 H new ATOM 0 HE21 GLN A 570 6.146 -15.040 0.109 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.413 -15.596 1.208 1.00 1.04 H new ATOM 1104 N ALA A 571 2.923 -11.670 -0.145 1.00 0.26 N ATOM 1105 CA ALA A 571 1.697 -12.287 -0.632 1.00 0.27 C ATOM 1106 C ALA A 571 0.928 -11.342 -1.545 1.00 0.25 C ATOM 1107 O ALA A 571 0.476 -11.738 -2.622 1.00 0.27 O ATOM 1108 CB ALA A 571 0.823 -12.719 0.536 1.00 0.31 C ATOM 0 H ALA A 571 2.951 -11.531 0.865 1.00 0.26 H new ATOM 0 HA ALA A 571 1.972 -13.167 -1.213 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.090 -13.178 0.157 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.365 -13.440 1.149 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.567 -11.849 1.140 1.00 0.31 H new ATOM 1114 N MET A 572 0.790 -10.089 -1.122 1.00 0.25 N ATOM 1115 CA MET A 572 0.033 -9.110 -1.894 1.00 0.28 C ATOM 1116 C MET A 572 0.742 -8.792 -3.200 1.00 0.24 C ATOM 1117 O MET A 572 0.108 -8.730 -4.254 1.00 0.24 O ATOM 1118 CB MET A 572 -0.192 -7.825 -1.096 1.00 0.37 C ATOM 1119 CG MET A 572 -0.803 -8.065 0.270 1.00 0.47 C ATOM 1120 SD MET A 572 -1.397 -6.559 1.050 1.00 0.36 S ATOM 1121 CE MET A 572 -1.335 -7.037 2.776 1.00 0.33 C ATOM 0 H MET A 572 1.189 -9.730 -0.255 1.00 0.25 H new ATOM 0 HA MET A 572 -0.940 -9.549 -2.116 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.761 -7.310 -0.974 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.843 -7.161 -1.666 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.631 -8.768 0.173 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.061 -8.534 0.916 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.413 -6.149 3.403 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.163 -7.711 2.997 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.391 -7.543 2.980 1.00 0.33 H new ATOM 1131 N VAL A 573 2.059 -8.614 -3.138 1.00 0.24 N ATOM 1132 CA VAL A 573 2.838 -8.325 -4.333 1.00 0.27 C ATOM 1133 C VAL A 573 2.690 -9.454 -5.346 1.00 0.25 C ATOM 1134 O VAL A 573 2.381 -9.215 -6.509 1.00 0.28 O ATOM 1135 CB VAL A 573 4.335 -8.119 -4.005 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.148 -7.909 -5.276 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.520 -6.942 -3.061 1.00 0.32 C ATOM 0 H VAL A 573 2.604 -8.665 -2.277 1.00 0.24 H new ATOM 0 HA VAL A 573 2.452 -7.398 -4.757 1.00 0.27 H new ATOM 0 HB VAL A 573 4.697 -9.021 -3.512 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.197 -7.767 -5.017 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.048 -8.783 -5.920 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.781 -7.027 -5.801 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.580 -6.814 -2.843 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.134 -6.036 -3.529 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.979 -7.131 -2.134 1.00 0.32 H new ATOM 1147 N GLN A 574 2.849 -10.688 -4.879 1.00 0.23 N ATOM 1148 CA GLN A 574 2.736 -11.855 -5.748 1.00 0.25 C ATOM 1149 C GLN A 574 1.339 -11.967 -6.337 1.00 0.23 C ATOM 1150 O GLN A 574 1.168 -12.370 -7.488 1.00 0.26 O ATOM 1151 CB GLN A 574 3.077 -13.134 -4.983 1.00 0.28 C ATOM 1152 CG GLN A 574 4.538 -13.230 -4.586 1.00 0.33 C ATOM 1153 CD GLN A 574 5.467 -13.185 -5.780 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.115 -13.625 -6.876 1.00 2.04 O ATOM 1155 NE2 GLN A 574 6.662 -12.660 -5.578 1.00 2.09 N ATOM 0 H GLN A 574 3.056 -10.906 -3.904 1.00 0.23 H new ATOM 0 HA GLN A 574 3.448 -11.728 -6.563 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.461 -13.186 -4.086 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.818 -13.996 -5.598 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.782 -12.411 -3.909 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.702 -14.157 -4.037 1.00 0.33 H new ATOM 0 HE21 GLN A 574 6.914 -12.307 -4.655 1.00 2.09 H new ATOM 0 HE22 GLN A 574 7.332 -12.608 -6.345 1.00 2.09 H new ATOM 1164 N TYR A 575 0.344 -11.616 -5.539 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.035 -11.702 -5.979 1.00 0.20 C ATOM 1166 C TYR A 575 -1.313 -10.676 -7.071 1.00 0.20 C ATOM 1167 O TYR A 575 -1.796 -11.024 -8.139 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.993 -11.500 -4.802 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.455 -11.545 -5.189 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.210 -10.382 -5.247 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.078 -12.748 -5.497 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.544 -10.414 -5.602 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.414 -12.787 -5.853 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.141 -11.618 -5.903 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.473 -11.651 -6.255 1.00 0.48 O ATOM 0 H TYR A 575 0.466 -11.270 -4.587 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.200 -12.698 -6.389 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.801 -12.269 -4.054 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.780 -10.539 -4.333 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.746 -9.436 -5.010 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.511 -13.666 -5.458 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.117 -9.499 -5.643 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -5.885 -13.729 -6.091 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.740 -12.576 -6.437 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.977 -9.419 -6.806 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.270 -8.331 -7.738 1.00 0.25 C ATOM 1187 C TYR A 576 -0.319 -8.293 -8.936 1.00 0.30 C ATOM 1188 O TYR A 576 -0.575 -7.581 -9.909 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.295 -6.991 -7.005 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.420 -6.904 -5.995 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.746 -6.935 -6.395 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.151 -6.768 -4.640 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.774 -6.834 -5.477 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.172 -6.670 -3.715 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.490 -6.787 -4.141 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.500 -6.602 -3.222 1.00 0.35 O ATOM 0 H TYR A 576 -0.501 -9.125 -5.953 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.261 -8.525 -8.149 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.342 -6.840 -6.497 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.400 -6.185 -7.731 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.981 -7.040 -7.444 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.125 -6.738 -4.303 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.799 -6.792 -5.814 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.949 -6.504 -2.671 1.00 0.36 H new ATOM 0 HH TYR A 576 -6.226 -7.235 -3.402 1.00 0.35 H new ATOM 1206 N GLN A 577 0.781 -9.029 -8.870 1.00 0.31 N ATOM 1207 CA GLN A 577 1.636 -9.185 -10.043 1.00 0.38 C ATOM 1208 C GLN A 577 0.912 -10.006 -11.101 1.00 0.37 C ATOM 1209 O GLN A 577 0.960 -9.694 -12.290 1.00 0.42 O ATOM 1210 CB GLN A 577 2.969 -9.855 -9.699 1.00 0.45 C ATOM 1211 CG GLN A 577 3.948 -8.955 -8.964 1.00 0.52 C ATOM 1212 CD GLN A 577 5.263 -9.647 -8.668 1.00 1.04 C ATOM 1213 OE1 GLN A 577 5.317 -10.863 -8.484 1.00 1.89 O ATOM 1214 NE2 GLN A 577 6.336 -8.877 -8.621 1.00 1.57 N ATOM 0 H GLN A 577 1.100 -9.520 -8.035 1.00 0.31 H new ATOM 0 HA GLN A 577 1.854 -8.188 -10.425 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.773 -10.736 -9.087 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.435 -10.204 -10.620 1.00 0.45 H new ATOM 0 HG2 GLN A 577 4.137 -8.064 -9.563 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.498 -8.621 -8.029 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.251 -7.873 -8.779 1.00 1.57 H new ATOM 0 HE22 GLN A 577 7.250 -9.287 -8.427 1.00 1.57 H new ATOM 1223 N GLU A 578 0.245 -11.061 -10.657 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.489 -11.934 -11.561 1.00 0.38 C ATOM 1225 C GLU A 578 -1.951 -11.500 -11.701 1.00 0.33 C ATOM 1226 O GLU A 578 -2.525 -11.580 -12.787 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.383 -13.379 -11.078 1.00 0.42 C ATOM 1228 CG GLU A 578 1.049 -13.890 -11.085 1.00 0.52 C ATOM 1229 CD GLU A 578 1.193 -15.282 -10.511 1.00 1.24 C ATOM 1230 OE1 GLU A 578 1.820 -15.421 -9.438 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.685 -16.242 -11.127 1.00 1.31 O ATOM 0 H GLU A 578 0.197 -11.333 -9.675 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.043 -11.860 -12.553 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -0.787 -13.452 -10.068 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -0.997 -14.017 -11.714 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.423 -13.887 -12.109 1.00 0.52 H new ATOM 0 HG3 GLU A 578 1.675 -13.203 -10.515 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.548 -11.038 -10.610 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.904 -10.497 -10.633 1.00 0.28 C ATOM 1240 C LYS A 579 -3.936 -9.121 -9.966 1.00 0.25 C ATOM 1241 O LYS A 579 -4.242 -9.013 -8.776 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.873 -11.427 -9.893 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.055 -12.793 -10.535 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.024 -13.654 -9.735 1.00 0.69 C ATOM 1245 CE LYS A 579 -7.382 -12.980 -9.589 1.00 1.69 C ATOM 1246 NZ LYS A 579 -8.351 -13.818 -8.837 1.00 2.46 N ATOM 0 H LYS A 579 -2.111 -11.027 -9.689 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.212 -10.411 -11.675 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.516 -11.565 -8.872 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.845 -10.939 -9.827 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.427 -12.673 -11.553 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.091 -13.296 -10.605 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.147 -14.619 -10.228 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -5.607 -13.851 -8.748 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -7.258 -12.025 -9.078 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -7.785 -12.762 -10.578 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.260 -13.317 -8.764 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -8.492 -14.719 -9.337 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -7.981 -14.005 -7.883 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.614 -8.054 -10.714 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.588 -6.687 -10.175 1.00 0.25 C ATOM 1262 C PRO A 580 -4.967 -6.207 -9.731 1.00 0.22 C ATOM 1263 O PRO A 580 -5.991 -6.747 -10.159 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.083 -5.843 -11.351 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.364 -6.653 -12.565 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.252 -8.091 -12.142 1.00 0.32 C ATOM 0 HA PRO A 580 -2.963 -6.618 -9.285 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.594 -4.881 -11.393 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.018 -5.634 -11.256 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.359 -6.438 -12.955 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.654 -6.424 -13.359 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -3.926 -8.731 -12.711 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.244 -8.477 -12.291 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.991 -5.182 -8.885 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.251 -4.621 -8.417 1.00 0.22 C ATOM 1276 C ALA A 581 -6.691 -3.505 -9.346 1.00 0.20 C ATOM 1277 O ALA A 581 -5.884 -2.674 -9.752 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.107 -4.089 -6.999 1.00 0.27 C ATOM 0 H ALA A 581 -4.158 -4.726 -8.512 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.005 -5.409 -8.415 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -7.059 -3.674 -6.668 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.814 -4.901 -6.334 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.345 -3.310 -6.978 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.959 -3.511 -9.709 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.465 -2.561 -10.684 1.00 0.26 C ATOM 1286 C ILE A 582 -9.266 -1.448 -10.017 1.00 0.28 C ATOM 1287 O ILE A 582 -10.260 -1.706 -9.336 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.358 -3.260 -11.729 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.674 -4.522 -12.260 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.668 -2.307 -12.873 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.506 -5.287 -13.266 1.00 0.51 C ATOM 0 H ILE A 582 -8.657 -4.160 -9.346 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.596 -2.127 -11.179 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.293 -3.550 -11.250 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.726 -4.244 -12.722 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.440 -5.178 -11.422 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.299 -2.811 -13.605 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.189 -1.431 -12.486 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.738 -1.995 -13.349 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.957 -6.168 -13.597 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.443 -5.596 -12.803 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.718 -4.648 -14.123 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.821 -0.217 -10.210 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.557 0.949 -9.746 1.00 0.33 C ATOM 1305 C ILE A 583 -9.808 1.892 -10.919 1.00 0.36 C ATOM 1306 O ILE A 583 -8.866 2.453 -11.480 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.801 1.703 -8.627 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.728 0.863 -7.348 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.470 3.036 -8.342 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -10.072 0.620 -6.695 1.00 0.51 C ATOM 0 H ILE A 583 -7.947 0.002 -10.688 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.503 0.602 -9.331 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.783 1.885 -8.972 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.270 -0.098 -7.582 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -8.073 1.363 -6.634 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.926 3.555 -7.552 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.466 3.646 -9.246 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.498 2.866 -8.023 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.936 0.018 -5.796 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.525 1.575 -6.428 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.724 0.092 -7.390 1.00 0.51 H new ATOM 1322 N ASN A 584 -11.077 2.031 -11.305 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.472 2.874 -12.440 1.00 0.47 C ATOM 1324 C ASN A 584 -10.793 2.404 -13.718 1.00 0.45 C ATOM 1325 O ASN A 584 -10.450 3.202 -14.595 1.00 0.50 O ATOM 1326 CB ASN A 584 -11.155 4.354 -12.191 1.00 0.55 C ATOM 1327 CG ASN A 584 -12.026 4.968 -11.114 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -13.149 4.524 -10.877 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.526 6.010 -10.473 1.00 0.91 N ATOM 0 H ASN A 584 -11.859 1.566 -10.844 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.552 2.778 -12.552 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -10.108 4.453 -11.905 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.287 4.910 -13.119 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.076 6.477 -9.752 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.590 6.347 -10.699 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.604 1.097 -13.813 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.983 0.512 -14.982 1.00 0.44 C ATOM 1338 C GLY A 585 -8.471 0.630 -14.979 1.00 0.39 C ATOM 1339 O GLY A 585 -7.814 0.257 -15.952 1.00 0.42 O ATOM 0 H GLY A 585 -10.873 0.426 -13.094 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.258 -0.541 -15.043 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.377 0.997 -15.875 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.910 1.148 -13.899 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.468 1.271 -13.790 1.00 0.32 C ATOM 1345 C GLU A 586 -5.911 0.213 -12.844 1.00 0.24 C ATOM 1346 O GLU A 586 -6.373 0.068 -11.711 1.00 0.26 O ATOM 1347 CB GLU A 586 -6.100 2.682 -13.326 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.535 3.752 -14.316 1.00 0.57 C ATOM 1349 CD GLU A 586 -6.270 5.161 -13.837 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -5.086 5.520 -13.661 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -7.243 5.928 -13.671 1.00 1.79 O ATOM 0 H GLU A 586 -8.429 1.488 -13.090 1.00 0.35 H new ATOM 0 HA GLU A 586 -6.020 1.105 -14.770 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.564 2.876 -12.359 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -5.022 2.743 -13.180 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -6.015 3.594 -15.261 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -7.601 3.639 -14.516 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.945 -0.548 -13.345 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.327 -1.628 -12.581 1.00 0.19 C ATOM 1360 C LYS A 587 -3.360 -1.087 -11.538 1.00 0.17 C ATOM 1361 O LYS A 587 -2.448 -0.325 -11.859 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.585 -2.579 -13.524 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.427 -3.071 -14.689 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.647 -3.839 -14.216 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.497 -4.302 -15.387 1.00 1.10 C ATOM 1366 NZ LYS A 587 -5.731 -5.160 -16.327 1.00 1.67 N ATOM 0 H LYS A 587 -4.569 -0.436 -14.287 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.121 -2.168 -12.064 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.702 -2.072 -13.915 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.233 -3.439 -12.954 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.744 -2.221 -15.293 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.821 -3.710 -15.331 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.331 -4.702 -13.630 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.244 -3.208 -13.558 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -7.359 -4.854 -15.013 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -6.882 -3.433 -15.921 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -6.389 -5.643 -16.971 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -5.076 -4.571 -16.879 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.191 -5.868 -15.789 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.566 -1.486 -10.295 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.717 -1.065 -9.195 1.00 0.15 C ATOM 1382 C LEU A 588 -1.549 -2.026 -9.017 1.00 0.17 C ATOM 1383 O LEU A 588 -1.718 -3.244 -9.105 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.529 -1.024 -7.904 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.841 -0.245 -7.979 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.516 -0.221 -6.622 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.608 1.165 -8.488 1.00 0.16 C ATOM 0 H LEU A 588 -4.325 -2.110 -10.020 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.328 -0.072 -9.423 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.751 -2.047 -7.602 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.911 -0.587 -7.120 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.499 -0.750 -8.686 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.450 0.337 -6.690 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.726 -1.242 -6.302 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.858 0.259 -5.897 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.558 1.698 -8.532 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.930 1.688 -7.814 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.169 1.124 -9.485 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.374 -1.477 -8.758 1.00 0.17 N ATOM 1400 CA LEU A 589 0.809 -2.293 -8.537 1.00 0.19 C ATOM 1401 C LEU A 589 1.303 -2.156 -7.102 1.00 0.18 C ATOM 1402 O LEU A 589 1.693 -1.066 -6.674 1.00 0.18 O ATOM 1403 CB LEU A 589 1.924 -1.922 -9.516 1.00 0.23 C ATOM 1404 CG LEU A 589 3.194 -2.765 -9.391 1.00 0.30 C ATOM 1405 CD1 LEU A 589 2.901 -4.219 -9.719 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.284 -2.228 -10.299 1.00 0.38 C ATOM 0 H LEU A 589 -0.213 -0.472 -8.696 1.00 0.17 H new ATOM 0 HA LEU A 589 0.530 -3.332 -8.711 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.542 -2.015 -10.532 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.184 -0.874 -9.368 1.00 0.23 H new ATOM 0 HG LEU A 589 3.544 -2.705 -8.361 1.00 0.30 H new ATOM 0 HD11 LEU A 589 3.816 -4.805 -9.625 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.151 -4.604 -9.028 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.526 -4.293 -10.740 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.179 -2.841 -10.195 1.00 0.38 H new ATOM 0 HD22 LEU A 589 3.942 -2.257 -11.334 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.515 -1.200 -10.021 1.00 0.38 H new ATOM 1418 N ILE A 590 1.268 -3.251 -6.358 1.00 0.18 N ATOM 1419 CA ILE A 590 1.815 -3.278 -5.008 1.00 0.18 C ATOM 1420 C ILE A 590 3.188 -3.949 -5.015 1.00 0.20 C ATOM 1421 O ILE A 590 3.339 -5.055 -5.532 1.00 0.26 O ATOM 1422 CB ILE A 590 0.871 -4.014 -4.027 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.501 -3.324 -4.003 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.477 -4.065 -2.629 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.456 -3.859 -2.952 1.00 0.21 C ATOM 0 H ILE A 590 0.865 -4.136 -6.667 1.00 0.18 H new ATOM 0 HA ILE A 590 1.915 -2.248 -4.666 1.00 0.18 H new ATOM 0 HB ILE A 590 0.740 -5.040 -4.371 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.354 -2.257 -3.833 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.964 -3.430 -4.984 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.796 -4.587 -1.956 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.429 -4.594 -2.664 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.639 -3.050 -2.266 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.399 -3.315 -3.007 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.638 -4.919 -3.131 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.018 -3.728 -1.962 1.00 0.21 H new ATOM 1437 N ARG A 591 4.183 -3.271 -4.452 1.00 0.18 N ATOM 1438 CA ARG A 591 5.559 -3.762 -4.440 1.00 0.22 C ATOM 1439 C ARG A 591 6.281 -3.319 -3.173 1.00 0.18 C ATOM 1440 O ARG A 591 5.819 -2.432 -2.465 1.00 0.19 O ATOM 1441 CB ARG A 591 6.335 -3.260 -5.659 1.00 0.33 C ATOM 1442 CG ARG A 591 6.130 -4.096 -6.911 1.00 0.45 C ATOM 1443 CD ARG A 591 7.176 -3.771 -7.964 1.00 0.65 C ATOM 1444 NE ARG A 591 7.133 -4.702 -9.088 1.00 1.33 N ATOM 1445 CZ ARG A 591 7.849 -5.823 -9.156 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.653 -6.166 -8.158 1.00 1.56 N ATOM 1447 NH2 ARG A 591 7.760 -6.603 -10.225 1.00 2.62 N ATOM 0 H ARG A 591 4.060 -2.369 -3.992 1.00 0.18 H new ATOM 0 HA ARG A 591 5.514 -4.851 -4.470 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.037 -2.233 -5.868 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.398 -3.241 -5.417 1.00 0.33 H new ATOM 0 HG2 ARG A 591 6.182 -5.155 -6.657 1.00 0.45 H new ATOM 0 HG3 ARG A 591 5.134 -3.913 -7.315 1.00 0.45 H new ATOM 0 HD2 ARG A 591 7.019 -2.756 -8.329 1.00 0.65 H new ATOM 0 HD3 ARG A 591 8.167 -3.797 -7.510 1.00 0.65 H new ATOM 0 HE ARG A 591 6.516 -4.480 -9.870 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.725 -5.570 -7.333 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.199 -7.026 -8.215 1.00 1.56 H new ATOM 0 HH21 ARG A 591 7.143 -6.344 -10.995 1.00 2.62 H new ATOM 0 HH22 ARG A 591 8.308 -7.461 -10.277 1.00 2.62 H new ATOM 1461 N MET A 592 7.415 -3.940 -2.895 1.00 0.17 N ATOM 1462 CA MET A 592 8.237 -3.554 -1.754 1.00 0.18 C ATOM 1463 C MET A 592 9.101 -2.360 -2.133 1.00 0.21 C ATOM 1464 O MET A 592 9.603 -2.288 -3.253 1.00 0.29 O ATOM 1465 CB MET A 592 9.126 -4.716 -1.301 1.00 0.19 C ATOM 1466 CG MET A 592 8.358 -5.890 -0.715 1.00 0.22 C ATOM 1467 SD MET A 592 9.451 -7.184 -0.098 1.00 0.29 S ATOM 1468 CE MET A 592 8.262 -8.366 0.533 1.00 0.34 C ATOM 0 H MET A 592 7.790 -4.715 -3.443 1.00 0.17 H new ATOM 0 HA MET A 592 7.580 -3.286 -0.927 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.711 -5.066 -2.152 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.834 -4.350 -0.557 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.723 -5.537 0.097 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.699 -6.307 -1.477 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.747 -9.333 0.668 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.875 -8.017 1.491 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.440 -8.468 -0.175 1.00 0.34 H new ATOM 1478 N SER A 593 9.276 -1.423 -1.210 1.00 0.23 N ATOM 1479 CA SER A 593 10.061 -0.233 -1.500 1.00 0.26 C ATOM 1480 C SER A 593 11.547 -0.533 -1.406 1.00 0.25 C ATOM 1481 O SER A 593 12.008 -1.207 -0.481 1.00 0.27 O ATOM 1482 CB SER A 593 9.699 0.906 -0.551 1.00 0.34 C ATOM 1483 OG SER A 593 10.432 2.084 -0.856 1.00 1.37 O ATOM 0 H SER A 593 8.890 -1.463 -0.267 1.00 0.23 H new ATOM 0 HA SER A 593 9.829 0.077 -2.519 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.631 1.112 -0.618 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.902 0.605 0.477 1.00 0.34 H new ATOM 0 HG SER A 593 10.017 2.539 -1.618 1.00 1.37 H new ATOM 1489 N THR A 594 12.279 -0.033 -2.379 1.00 0.27 N ATOM 1490 CA THR A 594 13.710 -0.233 -2.457 1.00 0.30 C ATOM 1491 C THR A 594 14.464 0.873 -1.721 1.00 0.31 C ATOM 1492 O THR A 594 15.628 0.709 -1.349 1.00 0.33 O ATOM 1493 CB THR A 594 14.149 -0.269 -3.931 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.597 0.859 -4.625 1.00 0.38 O ATOM 1495 CG2 THR A 594 13.684 -1.552 -4.602 1.00 0.38 C ATOM 0 H THR A 594 11.896 0.526 -3.141 1.00 0.27 H new ATOM 0 HA THR A 594 13.948 -1.183 -1.979 1.00 0.30 H new ATOM 0 HB THR A 594 15.238 -0.231 -3.968 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.199 1.122 -5.352 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.006 -1.555 -5.643 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.116 -2.410 -4.086 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.597 -1.612 -4.558 1.00 0.38 H new ATOM 1503 N ARG A 595 13.779 1.986 -1.484 1.00 0.32 N ATOM 1504 CA ARG A 595 14.431 3.198 -0.999 1.00 0.37 C ATOM 1505 C ARG A 595 14.192 3.424 0.496 1.00 0.37 C ATOM 1506 O ARG A 595 15.010 4.044 1.177 1.00 0.41 O ATOM 1507 CB ARG A 595 13.952 4.398 -1.820 1.00 0.41 C ATOM 1508 CG ARG A 595 14.233 4.234 -3.305 1.00 0.46 C ATOM 1509 CD ARG A 595 13.670 5.373 -4.139 1.00 0.56 C ATOM 1510 NE ARG A 595 13.900 5.142 -5.567 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.271 5.792 -6.548 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.394 6.748 -6.268 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.530 5.490 -7.815 1.00 2.75 N ATOM 0 H ARG A 595 12.772 2.075 -1.620 1.00 0.32 H new ATOM 0 HA ARG A 595 15.507 3.079 -1.126 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.881 4.534 -1.669 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.443 5.302 -1.458 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.310 4.172 -3.462 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.806 3.292 -3.649 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.601 5.472 -3.951 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.135 6.312 -3.839 1.00 0.56 H new ATOM 0 HE ARG A 595 14.588 4.436 -5.829 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.197 6.991 -5.297 1.00 1.16 H new ATOM 0 HH12 ARG A 595 11.917 7.240 -7.024 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.209 4.762 -8.037 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.050 5.986 -8.566 1.00 2.75 H new ATOM 1527 N TYR A 596 13.071 2.927 1.003 1.00 0.35 N ATOM 1528 CA TYR A 596 12.718 3.122 2.406 1.00 0.37 C ATOM 1529 C TYR A 596 12.650 1.802 3.164 1.00 0.35 C ATOM 1530 O TYR A 596 12.240 0.774 2.619 1.00 0.36 O ATOM 1531 CB TYR A 596 11.387 3.871 2.522 1.00 0.39 C ATOM 1532 CG TYR A 596 11.498 5.349 2.223 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.696 5.809 0.926 1.00 0.48 C ATOM 1534 CD2 TYR A 596 11.416 6.284 3.245 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.812 7.160 0.659 1.00 0.54 C ATOM 1536 CE2 TYR A 596 11.526 7.635 2.985 1.00 0.61 C ATOM 1537 CZ TYR A 596 11.726 8.068 1.693 1.00 0.56 C ATOM 1538 OH TYR A 596 11.852 9.414 1.437 1.00 0.65 O ATOM 0 H TYR A 596 12.392 2.387 0.467 1.00 0.35 H new ATOM 0 HA TYR A 596 13.506 3.722 2.861 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.666 3.423 1.838 1.00 0.39 H new ATOM 0 HB3 TYR A 596 10.993 3.741 3.530 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.760 5.099 0.114 1.00 0.48 H new ATOM 0 HD2 TYR A 596 11.264 5.949 4.260 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.969 7.502 -0.353 1.00 0.54 H new ATOM 0 HE2 TYR A 596 11.456 8.350 3.792 1.00 0.61 H new ATOM 0 HH TYR A 596 11.766 9.916 2.274 1.00 0.65 H new ATOM 1548 N LYS A 597 13.070 1.844 4.425 1.00 0.38 N ATOM 1549 CA LYS A 597 13.045 0.674 5.294 1.00 0.41 C ATOM 1550 C LYS A 597 11.931 0.773 6.324 1.00 0.41 C ATOM 1551 O LYS A 597 11.457 -0.242 6.821 1.00 0.48 O ATOM 1552 CB LYS A 597 14.380 0.467 6.020 1.00 0.50 C ATOM 1553 CG LYS A 597 15.519 -0.029 5.135 1.00 0.62 C ATOM 1554 CD LYS A 597 15.966 1.012 4.123 1.00 1.29 C ATOM 1555 CE LYS A 597 17.072 0.478 3.227 1.00 1.67 C ATOM 1556 NZ LYS A 597 18.297 0.130 3.995 1.00 2.18 N ATOM 0 H LYS A 597 13.435 2.686 4.871 1.00 0.38 H new ATOM 0 HA LYS A 597 12.864 -0.183 4.645 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.679 1.410 6.478 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.230 -0.247 6.830 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.366 -0.309 5.761 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.200 -0.929 4.609 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.116 1.316 3.512 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.317 1.902 4.645 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.714 -0.405 2.697 1.00 1.67 H new ATOM 0 HE3 LYS A 597 17.318 1.225 2.472 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 19.081 -0.050 3.335 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.548 0.919 4.624 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.120 -0.723 4.564 1.00 2.18 H new ATOM 1570 N GLU A 598 11.499 1.987 6.640 1.00 0.38 N ATOM 1571 CA GLU A 598 10.425 2.158 7.605 1.00 0.41 C ATOM 1572 C GLU A 598 9.501 3.304 7.207 1.00 0.34 C ATOM 1573 O GLU A 598 9.930 4.283 6.597 1.00 0.33 O ATOM 1574 CB GLU A 598 11.012 2.415 8.996 1.00 0.55 C ATOM 1575 CG GLU A 598 9.965 2.619 10.077 1.00 0.62 C ATOM 1576 CD GLU A 598 10.571 2.766 11.450 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.786 1.733 12.117 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.835 3.912 11.874 1.00 0.91 O ATOM 0 H GLU A 598 11.869 2.853 6.249 1.00 0.38 H new ATOM 0 HA GLU A 598 9.835 1.242 7.624 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.647 1.573 9.273 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.652 3.296 8.953 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.378 3.508 9.846 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.277 1.773 10.076 1.00 0.62 H new ATOM 1585 N LEU A 599 8.236 3.167 7.576 1.00 0.36 N ATOM 1586 CA LEU A 599 7.227 4.171 7.273 1.00 0.32 C ATOM 1587 C LEU A 599 6.945 5.055 8.478 1.00 0.33 C ATOM 1588 O LEU A 599 6.559 4.573 9.540 1.00 0.37 O ATOM 1589 CB LEU A 599 5.933 3.506 6.797 1.00 0.33 C ATOM 1590 CG LEU A 599 6.048 2.741 5.478 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.697 2.223 5.029 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.661 3.621 4.403 1.00 0.33 C ATOM 0 H LEU A 599 7.881 2.361 8.091 1.00 0.36 H new ATOM 0 HA LEU A 599 7.618 4.800 6.474 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.590 2.818 7.570 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.166 4.273 6.689 1.00 0.33 H new ATOM 0 HG LEU A 599 6.702 1.885 5.643 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.809 1.683 4.089 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.294 1.552 5.787 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.015 3.061 4.887 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.735 3.060 3.472 1.00 0.33 H new ATOM 0 HD22 LEU A 599 6.033 4.498 4.249 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.656 3.938 4.716 1.00 0.33 H new ATOM 1604 N GLN A 600 7.142 6.350 8.301 1.00 0.36 N ATOM 1605 CA GLN A 600 6.868 7.315 9.355 1.00 0.44 C ATOM 1606 C GLN A 600 5.537 8.008 9.096 1.00 0.39 C ATOM 1607 O GLN A 600 5.375 8.684 8.082 1.00 0.43 O ATOM 1608 CB GLN A 600 7.984 8.361 9.433 1.00 0.59 C ATOM 1609 CG GLN A 600 7.795 9.366 10.560 1.00 0.85 C ATOM 1610 CD GLN A 600 8.771 10.525 10.492 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.895 10.388 10.004 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.346 11.678 10.981 1.00 1.34 N ATOM 0 H GLN A 600 7.492 6.760 7.435 1.00 0.36 H new ATOM 0 HA GLN A 600 6.820 6.781 10.304 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.939 7.853 9.566 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.037 8.896 8.485 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.777 9.754 10.527 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.911 8.857 11.517 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.408 11.750 11.376 1.00 1.34 H new ATOM 0 HE22 GLN A 600 8.956 12.495 10.963 1.00 1.34 H new ATOM 1621 N LEU A 601 4.589 7.832 10.000 1.00 0.37 N ATOM 1622 CA LEU A 601 3.302 8.499 9.878 1.00 0.34 C ATOM 1623 C LEU A 601 3.419 9.960 10.291 1.00 0.39 C ATOM 1624 O LEU A 601 3.357 10.284 11.477 1.00 0.46 O ATOM 1625 CB LEU A 601 2.237 7.804 10.734 1.00 0.36 C ATOM 1626 CG LEU A 601 1.863 6.385 10.302 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.793 5.822 11.223 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.380 6.370 8.860 1.00 0.32 C ATOM 0 H LEU A 601 4.684 7.237 10.823 1.00 0.37 H new ATOM 0 HA LEU A 601 2.997 8.445 8.833 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.591 7.769 11.764 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.335 8.416 10.727 1.00 0.36 H new ATOM 0 HG LEU A 601 2.752 5.759 10.370 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.535 4.812 10.906 1.00 0.46 H new ATOM 0 HD12 LEU A 601 1.170 5.796 12.245 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.094 6.454 11.179 1.00 0.46 H new ATOM 0 HD21 LEU A 601 1.120 5.351 8.574 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.503 7.009 8.764 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.171 6.739 8.207 1.00 0.32 H new ATOM 1640 N LYS A 602 3.612 10.835 9.313 1.00 0.41 N ATOM 1641 CA LYS A 602 3.642 12.268 9.572 1.00 0.48 C ATOM 1642 C LYS A 602 2.223 12.807 9.664 1.00 0.46 C ATOM 1643 O LYS A 602 1.985 13.888 10.200 1.00 0.51 O ATOM 1644 CB LYS A 602 4.399 13.017 8.472 1.00 0.59 C ATOM 1645 CG LYS A 602 5.853 12.602 8.314 1.00 0.69 C ATOM 1646 CD LYS A 602 6.619 13.617 7.476 1.00 0.93 C ATOM 1647 CE LYS A 602 8.042 13.162 7.197 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.088 12.064 6.196 1.00 1.73 N ATOM 0 H LYS A 602 3.750 10.578 8.335 1.00 0.41 H new ATOM 0 HA LYS A 602 4.161 12.427 10.517 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.885 12.861 7.524 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.360 14.085 8.684 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.318 12.510 9.296 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.906 11.621 7.843 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.097 13.777 6.532 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.639 14.575 7.995 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.629 14.007 6.836 1.00 1.49 H new ATOM 0 HE3 LYS A 602 8.504 12.826 8.125 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.076 11.783 6.034 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 7.550 11.248 6.551 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 7.670 12.392 5.302 1.00 1.73 H new ATOM 1662 N LYS A 603 1.287 12.037 9.134 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.116 12.416 9.131 1.00 0.48 C ATOM 1664 C LYS A 603 -0.917 11.449 9.994 1.00 0.54 C ATOM 1665 O LYS A 603 -0.532 10.287 10.152 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.656 12.422 7.696 1.00 0.58 C ATOM 1667 CG LYS A 603 0.034 13.431 6.789 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.105 14.848 7.324 1.00 0.79 C ATOM 1669 CE LYS A 603 0.557 15.861 6.406 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.489 17.238 6.960 1.00 1.69 N ATOM 0 H LYS A 603 1.477 11.136 8.696 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.214 13.420 9.545 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.542 11.425 7.270 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.724 12.638 7.720 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.090 13.177 6.698 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.395 13.375 5.788 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.161 15.093 7.435 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.343 14.908 8.316 1.00 0.79 H new ATOM 0 HE2 LYS A 603 1.600 15.583 6.251 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.072 15.838 5.430 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.952 17.899 6.304 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.506 17.513 7.085 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 0.974 17.267 7.880 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.024 11.925 10.584 1.00 0.67 N ATOM 1685 CA PRO A 604 -2.898 11.095 11.418 1.00 0.81 C ATOM 1686 C PRO A 604 -3.598 10.010 10.609 1.00 0.80 C ATOM 1687 O PRO A 604 -3.907 10.198 9.427 1.00 1.21 O ATOM 1688 CB PRO A 604 -3.922 12.090 11.971 1.00 1.01 C ATOM 1689 CG PRO A 604 -3.922 13.214 10.997 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.511 13.314 10.492 1.00 0.82 C ATOM 0 HA PRO A 604 -2.341 10.567 12.192 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -4.910 11.637 12.053 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.644 12.431 12.968 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.618 13.024 10.180 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -4.235 14.144 11.472 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.475 13.687 9.468 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -1.912 13.992 11.100 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.859 8.883 11.248 1.00 0.68 N ATOM 1699 CA GLY A 605 -4.472 7.771 10.565 1.00 0.80 C ATOM 1700 C GLY A 605 -5.759 7.331 11.226 1.00 0.84 C ATOM 1701 O GLY A 605 -5.800 7.100 12.437 1.00 1.23 O ATOM 0 H GLY A 605 -3.655 8.720 12.234 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -4.674 8.049 9.531 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.774 6.934 10.539 1.00 0.80 H new ATOM 1705 N LYS A 606 -6.811 7.232 10.428 1.00 0.92 N ATOM 1706 CA LYS A 606 -8.097 6.719 10.885 1.00 1.10 C ATOM 1707 C LYS A 606 -7.921 5.289 11.370 1.00 0.81 C ATOM 1708 O LYS A 606 -7.018 4.585 10.909 1.00 0.82 O ATOM 1709 CB LYS A 606 -9.110 6.741 9.734 1.00 1.50 C ATOM 1710 CG LYS A 606 -9.318 8.110 9.106 1.00 1.82 C ATOM 1711 CD LYS A 606 -10.028 9.064 10.052 1.00 2.34 C ATOM 1712 CE LYS A 606 -10.269 10.417 9.398 1.00 2.84 C ATOM 1713 NZ LYS A 606 -11.093 10.300 8.165 1.00 3.47 N ATOM 0 H LYS A 606 -6.799 7.505 9.445 1.00 0.92 H new ATOM 0 HA LYS A 606 -8.465 7.346 11.698 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -8.779 6.047 8.961 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -10.068 6.374 10.102 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -8.353 8.530 8.823 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -9.901 8.005 8.191 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -10.980 8.632 10.360 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -9.431 9.195 10.954 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -10.768 11.078 10.106 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -9.312 10.877 9.152 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -11.446 11.240 7.893 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -10.512 9.912 7.395 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -11.898 9.666 8.344 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.754 4.857 12.309 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.700 3.485 12.788 1.00 0.48 C ATOM 1729 C ASN A 607 -8.888 2.509 11.634 1.00 0.43 C ATOM 1730 O ASN A 607 -9.910 2.523 10.945 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.765 3.252 13.863 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.785 1.820 14.361 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -10.529 0.984 13.853 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -8.964 1.525 15.355 1.00 1.33 N ATOM 0 H ASN A 607 -9.470 5.434 12.750 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.718 3.313 13.229 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.582 3.923 14.703 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.745 3.507 13.460 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -8.933 0.575 15.726 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -8.362 2.247 15.750 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.891 1.662 11.439 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.847 0.758 10.302 1.00 0.22 C ATOM 1743 C VAL A 608 -8.705 -0.489 10.544 1.00 0.21 C ATOM 1744 O VAL A 608 -9.124 -1.160 9.601 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.380 0.378 9.979 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.297 -0.635 8.854 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.578 1.624 9.624 1.00 0.27 C ATOM 0 H VAL A 608 -7.089 1.582 12.065 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.268 1.273 9.439 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.954 -0.082 10.871 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.252 -0.876 8.657 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.830 -1.541 9.140 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.749 -0.217 7.954 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.549 1.343 9.399 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.021 2.106 8.752 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.589 2.316 10.466 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.994 -0.782 11.806 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.893 -1.887 12.140 1.00 0.33 C ATOM 1759 C ALA A 609 -11.293 -1.610 11.600 1.00 0.32 C ATOM 1760 O ALA A 609 -12.004 -2.517 11.154 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.931 -2.115 13.644 1.00 0.44 C ATOM 0 H ALA A 609 -8.624 -0.277 12.611 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.514 -2.795 11.671 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.605 -2.941 13.870 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.930 -2.356 14.001 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.285 -1.211 14.140 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.672 -0.342 11.618 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.942 0.084 11.062 1.00 0.35 C ATOM 1769 C ALA A 610 -12.950 -0.112 9.552 1.00 0.30 C ATOM 1770 O ALA A 610 -14.000 -0.318 8.947 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.207 1.536 11.417 1.00 0.40 C ATOM 0 H ALA A 610 -11.113 0.413 12.015 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.737 -0.526 11.490 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.163 1.845 10.994 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.237 1.646 12.501 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.412 2.161 11.011 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.767 -0.063 8.949 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.633 -0.278 7.515 1.00 0.23 C ATOM 1779 C ILE A 611 -11.891 -1.752 7.193 1.00 0.22 C ATOM 1780 O ILE A 611 -12.389 -2.092 6.121 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.235 0.159 7.013 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.021 1.643 7.318 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.095 -0.092 5.518 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.652 2.155 6.937 1.00 0.23 C ATOM 0 H ILE A 611 -10.888 0.124 9.432 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.371 0.335 6.998 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.478 -0.431 7.530 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.776 2.225 6.789 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.177 1.811 8.384 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.105 0.223 5.187 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.225 -1.155 5.314 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.854 0.476 4.981 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.578 3.214 7.184 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.891 1.600 7.485 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.498 2.021 5.866 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.556 -2.627 8.141 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.922 -4.039 8.044 1.00 0.24 C ATOM 1798 C ILE A 612 -13.441 -4.172 8.007 1.00 0.27 C ATOM 1799 O ILE A 612 -13.991 -4.983 7.259 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.380 -4.855 9.243 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.864 -4.692 9.367 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.744 -6.328 9.098 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.276 -5.355 10.592 1.00 0.31 C ATOM 0 H ILE A 612 -11.033 -2.384 8.982 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.479 -4.433 7.129 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.844 -4.471 10.152 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.390 -5.107 8.478 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.623 -3.629 9.390 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.354 -6.885 9.950 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.828 -6.433 9.061 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.310 -6.721 8.179 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.198 -5.196 10.610 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.721 -4.924 11.488 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.484 -6.425 10.562 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.112 -3.349 8.805 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.573 -3.318 8.825 1.00 0.35 C ATOM 1817 C GLN A 613 -16.107 -2.830 7.479 1.00 0.34 C ATOM 1818 O GLN A 613 -17.164 -3.262 7.023 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.077 -2.415 9.952 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.542 -2.797 11.323 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.894 -4.218 11.712 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -15.146 -5.154 11.428 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -17.031 -4.392 12.361 1.00 2.31 N ATOM 0 H GLN A 613 -13.669 -2.693 9.448 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.938 -4.329 9.005 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.794 -1.385 9.735 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.166 -2.449 9.974 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.458 -2.680 11.331 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -15.942 -2.111 12.069 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -17.623 -3.590 12.577 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -17.317 -5.329 12.646 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.345 -1.943 6.847 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.687 -1.439 5.517 1.00 0.33 C ATOM 1834 C ASP A 614 -15.604 -2.560 4.486 1.00 0.30 C ATOM 1835 O ASP A 614 -16.426 -2.645 3.573 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.776 -0.279 5.102 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.234 1.060 5.648 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.785 1.443 6.753 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.047 1.736 4.987 1.00 1.09 O ATOM 0 H ASP A 614 -14.484 -1.556 7.234 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.710 -1.065 5.561 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.762 -0.479 5.449 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.736 -0.227 4.014 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.612 -3.429 4.649 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.459 -4.596 3.789 1.00 0.27 C ATOM 1846 C ILE A 615 -15.596 -5.581 4.032 1.00 0.32 C ATOM 1847 O ILE A 615 -16.057 -6.256 3.118 1.00 0.35 O ATOM 1848 CB ILE A 615 -13.111 -5.307 4.031 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.958 -4.357 3.725 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.999 -6.566 3.177 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.601 -4.927 4.055 1.00 0.18 C ATOM 0 H ILE A 615 -13.898 -3.346 5.373 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.485 -4.247 2.757 1.00 0.27 H new ATOM 0 HB ILE A 615 -13.061 -5.602 5.079 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.985 -4.095 2.667 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.101 -3.433 4.286 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -12.040 -7.049 3.365 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.807 -7.252 3.432 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -13.069 -6.298 2.123 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.830 -4.196 3.811 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.554 -5.163 5.118 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.437 -5.835 3.474 1.00 0.18 H new ATOM 1863 N HIS A 616 -16.045 -5.654 5.279 1.00 0.37 N ATOM 1864 CA HIS A 616 -17.141 -6.545 5.641 1.00 0.46 C ATOM 1865 C HIS A 616 -18.419 -6.143 4.916 1.00 0.44 C ATOM 1866 O HIS A 616 -19.213 -6.994 4.525 1.00 0.46 O ATOM 1867 CB HIS A 616 -17.378 -6.541 7.153 1.00 0.59 C ATOM 1868 CG HIS A 616 -16.291 -7.205 7.947 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -16.229 -7.156 9.324 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -15.229 -7.948 7.554 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -15.179 -7.838 9.741 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -14.555 -8.329 8.686 1.00 0.82 N ATOM 0 H HIS A 616 -15.669 -5.109 6.055 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.863 -7.554 5.338 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -17.481 -5.510 7.491 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -18.323 -7.041 7.363 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.962 -8.195 6.537 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.881 -7.972 10.770 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -13.709 -8.899 8.709 1.00 0.82 H new ATOM 1881 N SER A 617 -18.621 -4.846 4.747 1.00 0.45 N ATOM 1882 CA SER A 617 -19.758 -4.351 4.000 1.00 0.51 C ATOM 1883 C SER A 617 -19.563 -4.540 2.493 1.00 0.49 C ATOM 1884 O SER A 617 -20.514 -4.848 1.773 1.00 0.57 O ATOM 1885 CB SER A 617 -20.005 -2.882 4.341 1.00 0.58 C ATOM 1886 OG SER A 617 -18.843 -2.282 4.890 1.00 1.18 O ATOM 0 H SER A 617 -18.010 -4.119 5.119 1.00 0.45 H new ATOM 0 HA SER A 617 -20.636 -4.931 4.286 1.00 0.51 H new ATOM 0 HB2 SER A 617 -20.306 -2.343 3.443 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.828 -2.804 5.051 1.00 0.58 H new ATOM 0 HG SER A 617 -18.096 -2.383 4.264 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.329 -4.374 2.020 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.036 -4.488 0.592 1.00 0.58 C ATOM 1894 C GLN A 618 -16.739 -5.255 0.335 1.00 1.36 C ATOM 1895 O GLN A 618 -15.641 -4.715 0.501 1.00 2.14 O ATOM 1896 CB GLN A 618 -17.939 -3.102 -0.052 1.00 1.70 C ATOM 1897 CG GLN A 618 -19.259 -2.350 -0.102 1.00 2.78 C ATOM 1898 CD GLN A 618 -19.143 -1.007 -0.796 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -18.103 -0.349 -0.742 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -20.206 -0.597 -1.463 1.00 4.68 N ATOM 0 H GLN A 618 -17.519 -4.161 2.602 1.00 0.49 H new ATOM 0 HA GLN A 618 -18.859 -5.045 0.143 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -17.214 -2.506 0.501 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -17.555 -3.210 -1.067 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -20.000 -2.959 -0.620 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -19.625 -2.199 0.914 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -21.048 -1.172 -1.483 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -20.185 0.294 -1.958 1.00 4.68 H new ATOM 1909 N ARG A 619 -16.873 -6.515 -0.069 1.00 2.22 N ATOM 1910 CA ARG A 619 -15.725 -7.311 -0.494 1.00 3.46 C ATOM 1911 C ARG A 619 -15.398 -7.046 -1.955 1.00 4.18 C ATOM 1912 O ARG A 619 -16.288 -6.718 -2.744 1.00 4.57 O ATOM 1913 CB ARG A 619 -15.957 -8.815 -0.295 1.00 4.18 C ATOM 1914 CG ARG A 619 -15.845 -9.293 1.145 1.00 4.41 C ATOM 1915 CD ARG A 619 -17.068 -8.967 1.981 1.00 5.33 C ATOM 1916 NE ARG A 619 -16.882 -9.429 3.353 1.00 6.03 N ATOM 1917 CZ ARG A 619 -17.856 -9.853 4.152 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -19.119 -9.850 3.740 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -17.559 -10.283 5.369 1.00 7.77 N ATOM 0 H ARG A 619 -17.765 -7.007 -0.111 1.00 2.22 H new ATOM 0 HA ARG A 619 -14.886 -7.009 0.133 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -16.948 -9.068 -0.671 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -15.236 -9.363 -0.902 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -15.686 -10.371 1.151 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -14.967 -8.838 1.604 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -17.246 -7.892 1.973 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -17.950 -9.439 1.547 1.00 5.33 H new ATOM 0 HE ARG A 619 -15.933 -9.426 3.727 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -19.349 -9.520 2.803 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -19.859 -10.178 4.361 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -16.590 -10.287 5.686 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -18.300 -10.610 5.989 1.00 7.77 H new ATOM 1933 N GLU A 620 -14.121 -7.216 -2.306 1.00 4.80 N ATOM 1934 CA GLU A 620 -13.634 -6.967 -3.661 1.00 5.84 C ATOM 1935 C GLU A 620 -13.991 -5.559 -4.111 1.00 6.68 C ATOM 1936 O GLU A 620 -14.955 -5.359 -4.845 1.00 7.20 O ATOM 1937 CB GLU A 620 -14.199 -7.994 -4.646 1.00 6.43 C ATOM 1938 CG GLU A 620 -13.773 -9.419 -4.348 1.00 6.93 C ATOM 1939 CD GLU A 620 -12.271 -9.590 -4.381 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -11.652 -9.669 -3.297 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -11.696 -9.632 -5.489 1.00 7.86 O ATOM 0 H GLU A 620 -13.398 -7.530 -1.658 1.00 4.80 H new ATOM 0 HA GLU A 620 -12.549 -7.065 -3.647 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -15.287 -7.938 -4.631 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -13.880 -7.732 -5.655 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -14.148 -9.710 -3.367 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -14.229 -10.091 -5.075 1.00 6.93 H new ATOM 1948 N ARG A 621 -13.206 -4.593 -3.662 1.00 7.11 N ATOM 1949 CA ARG A 621 -13.466 -3.192 -3.953 1.00 8.13 C ATOM 1950 C ARG A 621 -13.480 -2.943 -5.458 1.00 9.01 C ATOM 1951 O ARG A 621 -14.577 -2.724 -6.010 1.00 9.48 O ATOM 1952 CB ARG A 621 -12.419 -2.308 -3.274 1.00 8.49 C ATOM 1953 CG ARG A 621 -12.663 -0.822 -3.464 1.00 8.97 C ATOM 1954 CD ARG A 621 -14.044 -0.415 -2.978 1.00 9.41 C ATOM 1955 NE ARG A 621 -14.262 1.019 -3.125 1.00 9.86 N ATOM 1956 CZ ARG A 621 -15.433 1.575 -3.419 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -16.512 0.817 -3.600 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -15.523 2.893 -3.543 1.00 11.00 N ATOM 1959 OXT ARG A 621 -12.403 -2.996 -6.086 1.00 9.43 O ATOM 0 H ARG A 621 -12.377 -4.755 -3.090 1.00 7.11 H new ATOM 0 HA ARG A 621 -14.450 -2.936 -3.559 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -12.403 -2.532 -2.207 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -11.434 -2.559 -3.667 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -11.905 -0.256 -2.923 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -12.558 -0.567 -4.519 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -14.803 -0.959 -3.540 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -14.160 -0.696 -1.931 1.00 9.41 H new ATOM 0 HE ARG A 621 -13.462 1.638 -2.993 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -16.443 -0.197 -3.513 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -17.408 1.250 -3.825 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -14.696 3.475 -3.413 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -16.420 3.324 -3.769 1.00 11.00 H new TER 1973 ARG A 621