USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 972 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 603 LYS NZ :NH3+ 171:sc= 1.35 (180deg=0.55) USER MOD Set 1.2: B 5 U O2' : rot 36:sc= 1.01 USER MOD Set 2.1: A 531 SER OG : rot -41:sc= 0.352 USER MOD Set 2.2: A 584 ASN : amide:sc= -0.0494 K(o=0.3,f=-1.5!) USER MOD Set 3.1: A 563 MET CE :methyl -146:sc= -4.4! (180deg=-4.85!) USER MOD Set 3.2: A 572 MET CE :methyl -155:sc= -7.89! (180deg=-8.89!) USER MOD Set 4.1: A 553 MET CE :methyl -131:sc= -1.17 (180deg=-4.69!) USER MOD Set 4.2: A 556 THR OG1 : rot -146:sc= 0 USER MOD Set 5.1: A 535 ASN : amide:sc= 1.04 K(o=-3.1,f=-2.2) USER MOD Set 5.2: A 539 ASN : amide:sc= -4.1 K(o=-3.1,f=-2.2) USER MOD Set 6.1: A 523 HIS : no HD1:sc= -0.837 K(o=-0.14,f=-1.7) USER MOD Set 6.2: A 525 CYS SG : rot -161:sc= 0.193 USER MOD Set 6.3: A 526 ASN : amide:sc= 0.0385 K(o=-0.14,f=-2!) USER MOD Set 6.4: A 558 GLN : amide:sc= -0.0962 K(o=-0.14,f=-1.2) USER MOD Set 6.5: B 2 U O2' : rot 139:sc= 0.557 USER MOD Set 7.1: A 514 GLN : amide:sc= 0.685 K(o=0.11,f=-8) USER MOD Set 7.2: A 516 LYS NZ :NH3+ -126:sc= -0.575! (180deg=-3.42!) USER MOD Single : A 512 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 532 CYS SG : rot 19:sc= -2.52! USER MOD Single : A 533 THR OG1 : rot -106:sc= 1.8 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 548 THR OG1 : rot 86:sc= 1.3 USER MOD Single : A 549 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.9!) USER MOD Single : A 550 TYR OH : rot 168:sc= 0.0877 USER MOD Single : A 554 LYS NZ :NH3+ -178:sc= 2.15 (180deg=2.13) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0.303 K(o=0.3,f=-2.8!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -2.1! K(o=-2.1!,f=-1) USER MOD Single : A 574 GLN : amide:sc= -0.857 K(o=-0.86,f=-0.074) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 577 GLN : amide:sc= 0.899 K(o=0.9,f=-7.8!) USER MOD Single : A 579 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0285) USER MOD Single : A 587 LYS NZ :NH3+ 163:sc= -0.0443 (180deg=-0.342) USER MOD Single : A 592 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 593 SER OG : rot 74:sc= 1.5 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 596 TYR OH : rot 3:sc= 1.2 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 602 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 LYS NZ :NH3+ -152:sc= 1.22 (180deg=1.07) USER MOD Single : A 607 ASN : amide:sc= -0.375 K(o=-0.37,f=-5.3!) USER MOD Single : A 613 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 616 HIS : no HD1:sc= -0.912 K(o=-0.91,f=0.25) USER MOD Single : A 617 SER OG : rot 75:sc= 1.28 USER MOD Single : A 618 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ADN O2' : rot -93:sc= 1.12 USER MOD Single : B 1 ADN O5' : rot 14:sc= 0.417 USER MOD Single : B 3 C O2' : rot -60:sc= -2.06 USER MOD Single : B 4 U O2' : rot 148:sc= 0.252 USER MOD Single : B 6 A O2' : rot 180:sc= 0 USER MOD Single : B 6 A O3' : rot 143:sc= 0.192 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 11.835 -2.443 -11.183 1.00 3.64 O HETATM 2 C5' ADN B 1 11.828 -1.012 -11.155 1.00 3.04 C HETATM 3 C4' ADN B 1 11.586 -0.431 -12.528 1.00 2.61 C HETATM 4 O4' ADN B 1 11.273 -1.516 -13.446 1.00 3.25 O HETATM 5 C3' ADN B 1 10.413 0.540 -12.630 1.00 2.05 C HETATM 6 O3' ADN B 1 10.680 1.575 -13.570 1.00 2.33 O HETATM 7 C2' ADN B 1 9.259 -0.340 -13.094 1.00 2.68 C HETATM 8 O2' ADN B 1 8.314 0.391 -13.847 1.00 3.28 O HETATM 9 C1' ADN B 1 9.994 -1.312 -14.014 1.00 3.33 C HETATM 10 N9 ADN B 1 9.329 -2.606 -14.154 1.00 4.21 N HETATM 11 C8 ADN B 1 9.655 -3.789 -13.543 1.00 4.58 C HETATM 12 N7 ADN B 1 8.858 -4.783 -13.851 1.00 5.53 N HETATM 13 C5 ADN B 1 7.944 -4.215 -14.727 1.00 5.90 C HETATM 14 C6 ADN B 1 6.837 -4.745 -15.413 1.00 7.05 C HETATM 15 N6 ADN B 1 6.444 -6.017 -15.316 1.00 7.92 N HETATM 16 N1 ADN B 1 6.133 -3.911 -16.208 1.00 7.44 N HETATM 17 C2 ADN B 1 6.522 -2.633 -16.302 1.00 6.72 C HETATM 18 N3 ADN B 1 7.543 -2.019 -15.707 1.00 5.56 N HETATM 19 C4 ADN B 1 8.221 -2.875 -14.924 1.00 5.16 C HETATM 0 HO5' ADN B 1 11.904 -2.752 -12.111 1.00 3.64 H new HETATM 0 HO2' ADN B 1 7.607 0.720 -13.254 1.00 3.28 H new HETATM 0 HN62 ADN B 1 5.631 -6.341 -15.840 1.00 7.92 H new HETATM 0 HN61 ADN B 1 6.957 -6.665 -14.718 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 11.054 -0.665 -10.471 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 12.781 -0.650 -10.769 1.00 3.04 H new HETATM 0 H8 ADN B 1 10.500 -3.894 -12.863 1.00 4.58 H new HETATM 0 H4' ADN B 1 12.499 0.117 -12.762 1.00 2.61 H new HETATM 0 H3' ADN B 1 10.205 1.050 -11.689 1.00 2.05 H new HETATM 0 H2' ADN B 1 8.698 -0.792 -12.276 1.00 2.68 H new HETATM 0 H2 ADN B 1 5.918 -2.007 -16.958 1.00 6.72 H new HETATM 0 H1' ADN B 1 10.029 -0.879 -15.014 1.00 3.33 H new ATOM 32 P U B 2 11.049 3.054 -13.061 1.00 2.37 P ATOM 33 OP1 U B 2 11.089 3.960 -14.236 1.00 2.99 O ATOM 34 OP2 U B 2 12.243 2.936 -12.185 1.00 2.93 O ATOM 35 O5' U B 2 9.808 3.470 -12.152 1.00 2.04 O ATOM 36 C5' U B 2 10.000 4.057 -10.865 1.00 1.73 C ATOM 37 C4' U B 2 8.870 5.007 -10.538 1.00 1.24 C ATOM 38 O4' U B 2 7.773 4.789 -11.472 1.00 1.07 O ATOM 39 C3' U B 2 8.250 4.830 -9.156 1.00 0.95 C ATOM 40 O3' U B 2 7.756 6.065 -8.651 1.00 0.97 O ATOM 41 C2' U B 2 7.116 3.850 -9.422 1.00 0.83 C ATOM 42 O2' U B 2 6.091 3.944 -8.453 1.00 1.12 O ATOM 43 C1' U B 2 6.618 4.402 -10.756 1.00 0.74 C ATOM 44 N1 U B 2 5.856 3.441 -11.568 1.00 0.76 N ATOM 45 C2 U B 2 4.673 3.880 -12.134 1.00 1.11 C ATOM 46 O2 U B 2 4.266 5.024 -12.015 1.00 1.49 O ATOM 47 N3 U B 2 3.989 2.937 -12.861 1.00 1.23 N ATOM 48 C4 U B 2 4.362 1.629 -13.077 1.00 1.12 C ATOM 49 O4 U B 2 3.634 0.895 -13.748 1.00 1.35 O ATOM 50 C5 U B 2 5.598 1.254 -12.462 1.00 1.05 C ATOM 51 C6 U B 2 6.289 2.146 -11.746 1.00 0.89 C ATOM 0 H5' U B 2 10.950 4.591 -10.841 1.00 1.73 H new ATOM 0 H5'' U B 2 10.055 3.275 -10.108 1.00 1.73 H new ATOM 0 H4' U B 2 9.326 5.996 -10.592 1.00 1.24 H new ATOM 0 H3' U B 2 8.958 4.478 -8.406 1.00 0.95 H new ATOM 0 H2' U B 2 7.415 2.802 -9.409 1.00 0.83 H new ATOM 0 HO2' U B 2 5.218 3.876 -8.893 1.00 1.12 H new ATOM 0 H1' U B 2 5.927 5.220 -10.551 1.00 0.74 H new ATOM 0 H3 U B 2 3.112 3.237 -13.286 1.00 1.23 H new ATOM 0 H5 U B 2 5.973 0.248 -12.577 1.00 1.05 H new ATOM 0 H6 U B 2 7.220 1.841 -11.291 1.00 0.89 H new ATOM 62 P C B 3 8.738 7.083 -7.885 1.00 1.05 P ATOM 63 OP1 C B 3 8.317 8.459 -8.255 1.00 1.58 O ATOM 64 OP2 C B 3 10.141 6.656 -8.122 1.00 1.17 O ATOM 65 O5' C B 3 8.402 6.854 -6.345 1.00 1.07 O ATOM 66 C5' C B 3 7.804 7.884 -5.560 1.00 0.98 C ATOM 67 C4' C B 3 7.742 7.466 -4.110 1.00 0.86 C ATOM 68 O4' C B 3 7.692 6.014 -4.038 1.00 0.90 O ATOM 69 C3' C B 3 8.944 7.878 -3.270 1.00 0.69 C ATOM 70 O3' C B 3 8.554 8.191 -1.935 1.00 0.87 O ATOM 71 C2' C B 3 9.851 6.655 -3.329 1.00 0.63 C ATOM 72 O2' C B 3 10.661 6.537 -2.178 1.00 0.82 O ATOM 73 C1' C B 3 8.824 5.527 -3.343 1.00 0.75 C ATOM 74 N1 C B 3 9.306 4.304 -4.007 1.00 0.69 N ATOM 75 C2 C B 3 9.268 3.094 -3.307 1.00 0.96 C ATOM 76 O2 C B 3 8.796 3.076 -2.159 1.00 1.32 O ATOM 77 N3 C B 3 9.738 1.972 -3.897 1.00 0.95 N ATOM 78 C4 C B 3 10.232 2.027 -5.136 1.00 0.70 C ATOM 79 N4 C B 3 10.698 0.898 -5.672 1.00 0.76 N ATOM 80 C5 C B 3 10.281 3.245 -5.875 1.00 0.69 C ATOM 81 C6 C B 3 9.812 4.348 -5.277 1.00 0.67 C ATOM 0 H5' C B 3 6.800 8.095 -5.928 1.00 0.98 H new ATOM 0 H5'' C B 3 8.379 8.805 -5.656 1.00 0.98 H new ATOM 0 H4' C B 3 6.859 7.966 -3.712 1.00 0.86 H new ATOM 0 H3' C B 3 9.437 8.779 -3.635 1.00 0.69 H new ATOM 0 H2' C B 3 10.543 6.675 -4.171 1.00 0.63 H new ATOM 0 HO2' C B 3 11.228 7.332 -2.094 1.00 0.82 H new ATOM 0 H1' C B 3 8.603 5.247 -2.313 1.00 0.75 H new ATOM 0 H41 C B 3 11.083 0.903 -6.617 1.00 0.76 H new ATOM 0 H42 C B 3 10.670 0.030 -5.137 1.00 0.76 H new ATOM 0 H5 C B 3 10.681 3.277 -6.878 1.00 0.69 H new ATOM 0 H6 C B 3 9.834 5.289 -5.807 1.00 0.67 H new ATOM 93 P U B 4 8.786 9.673 -1.358 1.00 0.75 P ATOM 94 OP1 U B 4 8.810 10.608 -2.512 1.00 1.02 O ATOM 95 OP2 U B 4 9.944 9.632 -0.430 1.00 1.15 O ATOM 96 O5' U B 4 7.478 9.984 -0.504 1.00 0.71 O ATOM 97 C5' U B 4 6.966 11.314 -0.428 1.00 0.76 C ATOM 98 C4' U B 4 5.862 11.408 0.600 1.00 0.65 C ATOM 99 O4' U B 4 5.877 10.212 1.432 1.00 0.61 O ATOM 100 C3' U B 4 5.985 12.580 1.572 1.00 0.67 C ATOM 101 O3' U B 4 4.706 13.097 1.925 1.00 0.79 O ATOM 102 C2' U B 4 6.673 11.955 2.778 1.00 0.63 C ATOM 103 O2' U B 4 6.384 12.641 3.979 1.00 0.77 O ATOM 104 C1' U B 4 5.979 10.597 2.786 1.00 0.58 C ATOM 105 N1 U B 4 6.702 9.566 3.545 1.00 0.58 N ATOM 106 C2 U B 4 6.638 9.633 4.923 1.00 0.66 C ATOM 107 O2 U B 4 6.032 10.511 5.516 1.00 0.71 O ATOM 108 N3 U B 4 7.317 8.642 5.584 1.00 0.75 N ATOM 109 C4 U B 4 8.038 7.612 5.020 1.00 0.79 C ATOM 110 O4 U B 4 8.585 6.787 5.753 1.00 0.93 O ATOM 111 C5 U B 4 8.058 7.614 3.590 1.00 0.72 C ATOM 112 C6 U B 4 7.406 8.567 2.913 1.00 0.62 C ATOM 0 H5' U B 4 6.587 11.619 -1.404 1.00 0.76 H new ATOM 0 H5'' U B 4 7.770 12.003 -0.169 1.00 0.76 H new ATOM 0 H4' U B 4 4.951 11.536 0.015 1.00 0.65 H new ATOM 0 H3' U B 4 6.532 13.425 1.153 1.00 0.67 H new ATOM 0 H2' U B 4 7.761 11.950 2.716 1.00 0.63 H new ATOM 0 HO2' U B 4 6.374 12.005 4.725 1.00 0.77 H new ATOM 0 H1' U B 4 5.013 10.689 3.282 1.00 0.58 H new ATOM 0 H3 U B 4 7.285 8.670 6.603 1.00 0.75 H new ATOM 0 H5 U B 4 8.599 6.847 3.056 1.00 0.72 H new ATOM 0 H6 U B 4 7.433 8.551 1.833 1.00 0.62 H new ATOM 123 P U B 5 3.938 14.109 0.943 1.00 0.85 P ATOM 124 OP1 U B 5 4.935 14.670 -0.004 1.00 1.03 O ATOM 125 OP2 U B 5 3.118 15.025 1.779 1.00 1.33 O ATOM 126 O5' U B 5 2.946 13.170 0.126 1.00 0.85 O ATOM 127 C5' U B 5 1.798 13.709 -0.526 1.00 0.75 C ATOM 128 C4' U B 5 0.530 13.111 0.042 1.00 0.55 C ATOM 129 O4' U B 5 0.868 12.090 1.024 1.00 0.43 O ATOM 130 C3' U B 5 -0.396 14.091 0.762 1.00 0.55 C ATOM 131 O3' U B 5 -1.755 13.843 0.414 1.00 0.57 O ATOM 132 C2' U B 5 -0.131 13.825 2.241 1.00 0.48 C ATOM 133 O2' U B 5 -1.263 14.083 3.049 1.00 0.53 O ATOM 134 C1' U B 5 0.142 12.325 2.212 1.00 0.37 C ATOM 135 N1 U B 5 0.906 11.828 3.365 1.00 0.37 N ATOM 136 C2 U B 5 0.233 11.048 4.288 1.00 0.37 C ATOM 137 O2 U B 5 -0.943 10.746 4.170 1.00 0.40 O ATOM 138 N3 U B 5 0.985 10.628 5.357 1.00 0.43 N ATOM 139 C4 U B 5 2.315 10.901 5.591 1.00 0.48 C ATOM 140 O4 U B 5 2.854 10.459 6.606 1.00 0.56 O ATOM 141 C5 U B 5 2.941 11.710 4.590 1.00 0.49 C ATOM 142 C6 U B 5 2.236 12.136 3.536 1.00 0.44 C ATOM 0 H5' U B 5 1.853 13.508 -1.596 1.00 0.75 H new ATOM 0 H5'' U B 5 1.781 14.792 -0.406 1.00 0.75 H new ATOM 0 H4' U B 5 0.002 12.730 -0.832 1.00 0.55 H new ATOM 0 H3' U B 5 -0.213 15.132 0.495 1.00 0.55 H new ATOM 0 H2' U B 5 0.660 14.449 2.656 1.00 0.48 H new ATOM 0 HO2' U B 5 -2.075 13.823 2.566 1.00 0.53 H new ATOM 0 H1' U B 5 -0.808 11.793 2.254 1.00 0.37 H new ATOM 0 H3 U B 5 0.509 10.053 6.052 1.00 0.43 H new ATOM 0 H5 U B 5 3.983 11.977 4.686 1.00 0.49 H new ATOM 0 H6 U B 5 2.729 12.744 2.792 1.00 0.44 H new ATOM 153 P A B 6 -2.835 15.034 0.432 1.00 0.96 P ATOM 154 OP1 A B 6 -3.764 14.835 -0.709 1.00 1.91 O ATOM 155 OP2 A B 6 -2.098 16.318 0.550 1.00 1.79 O ATOM 156 O5' A B 6 -3.643 14.794 1.782 1.00 1.70 O ATOM 157 C5' A B 6 -4.853 15.496 2.047 1.00 2.27 C ATOM 158 C4' A B 6 -4.675 16.414 3.231 1.00 2.74 C ATOM 159 O4' A B 6 -3.356 17.020 3.156 1.00 2.62 O ATOM 160 C3' A B 6 -5.658 17.577 3.302 1.00 3.36 C ATOM 161 O3' A B 6 -5.984 17.909 4.651 1.00 4.05 O ATOM 162 C2' A B 6 -4.913 18.713 2.614 1.00 3.45 C ATOM 163 O2' A B 6 -5.305 19.978 3.112 1.00 4.23 O ATOM 164 C1' A B 6 -3.476 18.423 3.046 1.00 3.13 C ATOM 165 N9 A B 6 -2.473 18.909 2.098 1.00 3.07 N ATOM 166 C8 A B 6 -2.638 19.857 1.118 1.00 3.68 C ATOM 167 N7 A B 6 -1.554 20.092 0.422 1.00 3.79 N ATOM 168 C5 A B 6 -0.609 19.243 0.980 1.00 3.15 C ATOM 169 C6 A B 6 0.746 19.018 0.685 1.00 3.12 C ATOM 170 N6 A B 6 1.408 19.657 -0.282 1.00 3.76 N ATOM 171 N1 A B 6 1.405 18.103 1.428 1.00 2.64 N ATOM 172 C2 A B 6 0.739 17.466 2.400 1.00 2.25 C ATOM 173 N3 A B 6 -0.534 17.592 2.774 1.00 2.28 N ATOM 174 C4 A B 6 -1.160 18.508 2.014 1.00 2.69 C ATOM 0 H5' A B 6 -5.657 14.787 2.245 1.00 2.27 H new ATOM 0 H5'' A B 6 -5.146 16.074 1.170 1.00 2.27 H new ATOM 0 H4' A B 6 -4.835 15.782 4.105 1.00 2.74 H new ATOM 0 H3' A B 6 -6.614 17.349 2.830 1.00 3.36 H new ATOM 0 H2' A B 6 -5.085 18.754 1.538 1.00 3.45 H new ATOM 0 HO2' A B 6 -4.805 20.682 2.648 1.00 4.23 H new ATOM 0 HO3' A B 6 -6.083 18.880 4.734 1.00 4.05 H new ATOM 0 H1' A B 6 -3.289 18.943 3.986 1.00 3.13 H new ATOM 0 H8 A B 6 -3.575 20.362 0.938 1.00 3.68 H new ATOM 0 H61 A B 6 2.393 19.450 -0.449 1.00 3.76 H new ATOM 0 H62 A B 6 0.929 20.352 -0.854 1.00 3.76 H new ATOM 0 H2 A B 6 1.317 16.747 2.961 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 10.933 -14.759 2.668 1.00 8.88 N ATOM 189 CA GLY A 510 12.379 -14.796 2.346 1.00 8.14 C ATOM 190 C GLY A 510 13.163 -13.762 3.125 1.00 7.17 C ATOM 191 O GLY A 510 13.262 -12.606 2.710 1.00 7.17 O ATOM 0 HA2 GLY A 510 12.773 -15.789 2.564 1.00 8.14 H new ATOM 0 HA3 GLY A 510 12.517 -14.626 1.278 1.00 8.14 H new ATOM 197 N ALA A 511 13.731 -14.180 4.249 1.00 6.63 N ATOM 198 CA ALA A 511 14.501 -13.289 5.110 1.00 5.95 C ATOM 199 C ALA A 511 15.798 -12.849 4.433 1.00 5.06 C ATOM 200 O ALA A 511 16.400 -11.847 4.817 1.00 5.04 O ATOM 201 CB ALA A 511 14.805 -13.972 6.435 1.00 6.64 C ATOM 0 H ALA A 511 13.672 -15.140 4.589 1.00 6.63 H new ATOM 0 HA ALA A 511 13.900 -12.399 5.297 1.00 5.95 H new ATOM 0 HB1 ALA A 511 15.380 -13.297 7.069 1.00 6.64 H new ATOM 0 HB2 ALA A 511 13.871 -14.231 6.934 1.00 6.64 H new ATOM 0 HB3 ALA A 511 15.382 -14.879 6.253 1.00 6.64 H new ATOM 207 N MET A 512 16.220 -13.600 3.423 1.00 4.71 N ATOM 208 CA MET A 512 17.448 -13.286 2.703 1.00 4.26 C ATOM 209 C MET A 512 17.209 -12.209 1.649 1.00 3.49 C ATOM 210 O MET A 512 18.152 -11.699 1.042 1.00 3.57 O ATOM 211 CB MET A 512 18.015 -14.543 2.032 1.00 4.93 C ATOM 212 CG MET A 512 17.190 -15.038 0.853 1.00 5.06 C ATOM 213 SD MET A 512 17.879 -16.526 0.104 1.00 5.85 S ATOM 214 CE MET A 512 16.749 -16.765 -1.264 1.00 6.33 C ATOM 0 H MET A 512 15.731 -14.429 3.085 1.00 4.71 H new ATOM 0 HA MET A 512 18.168 -12.909 3.429 1.00 4.26 H new ATOM 0 HB2 MET A 512 19.029 -14.335 1.691 1.00 4.93 H new ATOM 0 HB3 MET A 512 18.085 -15.339 2.774 1.00 4.93 H new ATOM 0 HG2 MET A 512 16.172 -15.241 1.186 1.00 5.06 H new ATOM 0 HG3 MET A 512 17.129 -14.251 0.101 1.00 5.06 H new ATOM 0 HE1 MET A 512 17.042 -17.651 -1.828 1.00 6.33 H new ATOM 0 HE2 MET A 512 15.737 -16.897 -0.881 1.00 6.33 H new ATOM 0 HE3 MET A 512 16.779 -15.893 -1.917 1.00 6.33 H new ATOM 224 N ALA A 513 15.949 -11.860 1.433 1.00 3.37 N ATOM 225 CA ALA A 513 15.599 -10.899 0.400 1.00 3.26 C ATOM 226 C ALA A 513 14.899 -9.686 0.994 1.00 2.63 C ATOM 227 O ALA A 513 13.819 -9.814 1.573 1.00 3.17 O ATOM 228 CB ALA A 513 14.719 -11.558 -0.651 1.00 4.20 C ATOM 0 H ALA A 513 15.155 -12.227 1.958 1.00 3.37 H new ATOM 0 HA ALA A 513 16.519 -10.556 -0.073 1.00 3.26 H new ATOM 0 HB1 ALA A 513 14.463 -10.829 -1.420 1.00 4.20 H new ATOM 0 HB2 ALA A 513 15.256 -12.391 -1.105 1.00 4.20 H new ATOM 0 HB3 ALA A 513 13.807 -11.927 -0.182 1.00 4.20 H new ATOM 234 N GLN A 514 15.530 -8.517 0.844 1.00 1.97 N ATOM 235 CA GLN A 514 14.983 -7.246 1.332 1.00 1.53 C ATOM 236 C GLN A 514 15.027 -7.148 2.856 1.00 1.41 C ATOM 237 O GLN A 514 14.773 -8.118 3.571 1.00 1.94 O ATOM 238 CB GLN A 514 13.549 -7.037 0.827 1.00 1.48 C ATOM 239 CG GLN A 514 13.470 -6.648 -0.639 1.00 1.76 C ATOM 240 CD GLN A 514 13.897 -5.214 -0.873 1.00 2.06 C ATOM 241 OE1 GLN A 514 13.705 -4.353 -0.011 1.00 2.88 O ATOM 242 NE2 GLN A 514 14.471 -4.944 -2.032 1.00 2.17 N ATOM 0 H GLN A 514 16.434 -8.425 0.381 1.00 1.97 H new ATOM 0 HA GLN A 514 15.617 -6.454 0.933 1.00 1.53 H new ATOM 0 HB2 GLN A 514 12.981 -7.954 0.982 1.00 1.48 H new ATOM 0 HB3 GLN A 514 13.071 -6.262 1.426 1.00 1.48 H new ATOM 0 HG2 GLN A 514 14.103 -7.314 -1.225 1.00 1.76 H new ATOM 0 HG3 GLN A 514 12.449 -6.784 -0.995 1.00 1.76 H new ATOM 0 HE21 GLN A 514 14.611 -5.687 -2.717 1.00 2.17 H new ATOM 0 HE22 GLN A 514 14.774 -3.993 -2.242 1.00 2.17 H new ATOM 251 N ARG A 515 15.369 -5.964 3.348 1.00 1.22 N ATOM 252 CA ARG A 515 15.370 -5.698 4.780 1.00 1.19 C ATOM 253 C ARG A 515 13.949 -5.425 5.252 1.00 1.13 C ATOM 254 O ARG A 515 13.492 -4.283 5.248 1.00 1.84 O ATOM 255 CB ARG A 515 16.265 -4.497 5.107 1.00 1.39 C ATOM 256 CG ARG A 515 17.733 -4.674 4.731 1.00 1.59 C ATOM 257 CD ARG A 515 18.388 -5.812 5.500 1.00 1.75 C ATOM 258 NE ARG A 515 18.101 -7.121 4.912 1.00 2.36 N ATOM 259 CZ ARG A 515 18.168 -8.273 5.580 1.00 3.12 C ATOM 260 NH1 ARG A 515 18.460 -8.284 6.875 1.00 3.44 N ATOM 261 NH2 ARG A 515 17.938 -9.416 4.947 1.00 4.00 N ATOM 0 H ARG A 515 15.650 -5.170 2.773 1.00 1.22 H new ATOM 0 HA ARG A 515 15.763 -6.574 5.296 1.00 1.19 H new ATOM 0 HB2 ARG A 515 15.875 -3.620 4.591 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.200 -4.293 6.176 1.00 1.39 H new ATOM 0 HG2 ARG A 515 17.812 -4.867 3.661 1.00 1.59 H new ATOM 0 HG3 ARG A 515 18.271 -3.747 4.928 1.00 1.59 H new ATOM 0 HD2 ARG A 515 19.467 -5.657 5.525 1.00 1.75 H new ATOM 0 HD3 ARG A 515 18.040 -5.797 6.533 1.00 1.75 H new ATOM 0 HE ARG A 515 17.833 -7.154 3.929 1.00 2.36 H new ATOM 0 HH11 ARG A 515 18.635 -7.407 7.366 1.00 3.44 H new ATOM 0 HH12 ARG A 515 18.509 -9.169 7.379 1.00 3.44 H new ATOM 0 HH21 ARG A 515 17.711 -9.412 3.953 1.00 4.00 H new ATOM 0 HH22 ARG A 515 17.988 -10.299 5.455 1.00 4.00 H new ATOM 275 N LYS A 516 13.242 -6.481 5.629 1.00 0.82 N ATOM 276 CA LYS A 516 11.851 -6.356 6.038 1.00 0.79 C ATOM 277 C LYS A 516 11.623 -6.976 7.412 1.00 0.90 C ATOM 278 O LYS A 516 10.539 -7.480 7.715 1.00 1.11 O ATOM 279 CB LYS A 516 10.936 -6.998 4.990 1.00 0.97 C ATOM 280 CG LYS A 516 11.022 -6.318 3.631 1.00 1.06 C ATOM 281 CD LYS A 516 10.452 -4.907 3.676 1.00 1.07 C ATOM 282 CE LYS A 516 11.143 -3.987 2.679 1.00 1.24 C ATOM 283 NZ LYS A 516 11.113 -4.531 1.297 1.00 1.89 N ATOM 0 H LYS A 516 13.608 -7.432 5.660 1.00 0.82 H new ATOM 0 HA LYS A 516 11.608 -5.296 6.112 1.00 0.79 H new ATOM 0 HB2 LYS A 516 11.199 -8.050 4.881 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.906 -6.962 5.344 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.062 -6.281 3.307 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.478 -6.908 2.893 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.384 -4.939 3.461 1.00 1.07 H new ATOM 0 HD3 LYS A 516 10.563 -4.502 4.682 1.00 1.07 H new ATOM 0 HE2 LYS A 516 10.659 -3.010 2.693 1.00 1.24 H new ATOM 0 HE3 LYS A 516 12.178 -3.835 2.985 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 12.081 -4.569 0.918 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 10.708 -5.489 1.310 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 10.529 -3.917 0.695 1.00 1.89 H new ATOM 297 N GLY A 517 12.657 -6.930 8.237 1.00 0.96 N ATOM 298 CA GLY A 517 12.544 -7.398 9.600 1.00 1.13 C ATOM 299 C GLY A 517 12.539 -6.239 10.571 1.00 1.25 C ATOM 300 O GLY A 517 13.459 -5.417 10.549 1.00 2.04 O ATOM 0 H GLY A 517 13.579 -6.574 7.984 1.00 0.96 H new ATOM 0 HA2 GLY A 517 11.628 -7.977 9.715 1.00 1.13 H new ATOM 0 HA3 GLY A 517 13.374 -8.066 9.829 1.00 1.13 H new ATOM 304 N ALA A 518 11.507 -6.169 11.411 1.00 1.01 N ATOM 305 CA ALA A 518 11.331 -5.050 12.336 1.00 1.14 C ATOM 306 C ALA A 518 11.233 -3.738 11.564 1.00 1.08 C ATOM 307 O ALA A 518 11.997 -2.798 11.793 1.00 1.75 O ATOM 308 CB ALA A 518 12.463 -5.008 13.356 1.00 1.41 C ATOM 0 H ALA A 518 10.776 -6.878 11.470 1.00 1.01 H new ATOM 0 HA ALA A 518 10.399 -5.193 12.884 1.00 1.14 H new ATOM 0 HB1 ALA A 518 12.311 -4.168 14.034 1.00 1.41 H new ATOM 0 HB2 ALA A 518 12.473 -5.937 13.926 1.00 1.41 H new ATOM 0 HB3 ALA A 518 13.415 -4.889 12.838 1.00 1.41 H new ATOM 314 N GLY A 519 10.283 -3.692 10.644 1.00 0.67 N ATOM 315 CA GLY A 519 10.133 -2.546 9.772 1.00 0.60 C ATOM 316 C GLY A 519 9.862 -2.972 8.348 1.00 0.50 C ATOM 317 O GLY A 519 10.649 -3.716 7.761 1.00 0.51 O ATOM 0 H GLY A 519 9.605 -4.437 10.484 1.00 0.67 H new ATOM 0 HA2 GLY A 519 9.315 -1.920 10.128 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.038 -1.939 9.806 1.00 0.60 H new ATOM 321 N ARG A 520 8.738 -2.537 7.790 1.00 0.46 N ATOM 322 CA ARG A 520 8.410 -2.879 6.414 1.00 0.40 C ATOM 323 C ARG A 520 7.809 -1.690 5.682 1.00 0.34 C ATOM 324 O ARG A 520 6.946 -0.990 6.212 1.00 0.36 O ATOM 325 CB ARG A 520 7.402 -4.030 6.384 1.00 0.44 C ATOM 326 CG ARG A 520 7.888 -5.298 7.062 1.00 0.56 C ATOM 327 CD ARG A 520 6.727 -6.209 7.414 1.00 0.64 C ATOM 328 NE ARG A 520 5.769 -5.540 8.296 1.00 0.93 N ATOM 329 CZ ARG A 520 5.848 -5.542 9.627 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.822 -6.200 10.242 1.00 2.13 N ATOM 331 NH2 ARG A 520 4.941 -4.891 10.343 1.00 2.22 N ATOM 0 H ARG A 520 8.047 -1.954 8.263 1.00 0.46 H new ATOM 0 HA ARG A 520 9.335 -3.175 5.918 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.480 -3.704 6.866 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.157 -4.257 5.346 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.580 -5.824 6.404 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.440 -5.042 7.966 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.223 -6.527 6.501 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.104 -7.109 7.900 1.00 0.64 H new ATOM 0 HE ARG A 520 4.991 -5.040 7.865 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.517 -6.709 9.696 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.876 -6.197 11.261 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.185 -4.390 9.875 1.00 2.22 H new ATOM 0 HH22 ARG A 520 4.999 -4.891 11.361 1.00 2.22 H new ATOM 345 N VAL A 521 8.290 -1.460 4.472 1.00 0.29 N ATOM 346 CA VAL A 521 7.643 -0.543 3.551 1.00 0.24 C ATOM 347 C VAL A 521 7.186 -1.278 2.302 1.00 0.21 C ATOM 348 O VAL A 521 7.988 -1.932 1.623 1.00 0.23 O ATOM 349 CB VAL A 521 8.537 0.650 3.166 1.00 0.26 C ATOM 350 CG1 VAL A 521 7.840 1.541 2.153 1.00 0.27 C ATOM 351 CG2 VAL A 521 8.908 1.442 4.399 1.00 0.32 C ATOM 0 H VAL A 521 9.133 -1.900 4.103 1.00 0.29 H new ATOM 0 HA VAL A 521 6.777 -0.137 4.073 1.00 0.24 H new ATOM 0 HB VAL A 521 9.448 0.265 2.709 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.490 2.377 1.896 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.617 0.965 1.255 1.00 0.27 H new ATOM 0 HG13 VAL A 521 6.912 1.921 2.580 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.540 2.283 4.115 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.003 1.814 4.878 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.449 0.800 5.094 1.00 0.32 H new ATOM 361 N VAL A 522 5.907 -1.181 2.007 1.00 0.20 N ATOM 362 CA VAL A 522 5.354 -1.764 0.801 1.00 0.18 C ATOM 363 C VAL A 522 4.738 -0.641 -0.015 1.00 0.18 C ATOM 364 O VAL A 522 3.888 0.092 0.489 1.00 0.19 O ATOM 365 CB VAL A 522 4.285 -2.825 1.129 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.853 -3.570 -0.123 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.790 -3.785 2.194 1.00 0.22 C ATOM 0 H VAL A 522 5.224 -0.699 2.592 1.00 0.20 H new ATOM 0 HA VAL A 522 6.145 -2.264 0.241 1.00 0.18 H new ATOM 0 HB VAL A 522 3.409 -2.313 1.526 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.098 -4.312 0.137 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.435 -2.864 -0.841 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.715 -4.069 -0.565 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.020 -4.526 2.411 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.687 -4.289 1.834 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.025 -3.230 3.102 1.00 0.22 H new ATOM 377 N HIS A 523 5.170 -0.466 -1.251 1.00 0.18 N ATOM 378 CA HIS A 523 4.760 0.686 -2.029 1.00 0.18 C ATOM 379 C HIS A 523 3.731 0.291 -3.077 1.00 0.17 C ATOM 380 O HIS A 523 3.907 -0.682 -3.812 1.00 0.18 O ATOM 381 CB HIS A 523 5.992 1.306 -2.700 1.00 0.20 C ATOM 382 CG HIS A 523 5.697 2.446 -3.630 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.487 2.276 -4.981 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.616 3.780 -3.407 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.293 3.451 -5.545 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.365 4.385 -4.615 1.00 0.37 N ATOM 0 H HIS A 523 5.802 -1.104 -1.735 1.00 0.18 H new ATOM 0 HA HIS A 523 4.299 1.418 -1.365 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.673 1.656 -1.924 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.515 0.528 -3.256 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.728 4.277 -2.455 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.106 3.622 -6.595 1.00 0.44 H new ATOM 0 HE2 HIS A 523 5.253 5.387 -4.767 1.00 0.37 H new ATOM 395 N ILE A 524 2.672 1.071 -3.146 1.00 0.16 N ATOM 396 CA ILE A 524 1.608 0.850 -4.098 1.00 0.16 C ATOM 397 C ILE A 524 1.628 1.967 -5.127 1.00 0.17 C ATOM 398 O ILE A 524 1.870 3.124 -4.793 1.00 0.19 O ATOM 399 CB ILE A 524 0.235 0.810 -3.395 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.267 -0.224 -2.266 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.879 0.500 -4.392 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.056 -0.405 -1.562 1.00 0.18 C ATOM 0 H ILE A 524 2.526 1.879 -2.540 1.00 0.16 H new ATOM 0 HA ILE A 524 1.764 -0.112 -4.586 1.00 0.16 H new ATOM 0 HB ILE A 524 0.027 1.791 -2.968 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.584 -1.184 -2.675 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.018 0.075 -1.535 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.837 0.477 -3.872 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -0.903 1.271 -5.162 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.694 -0.470 -4.854 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.951 -1.153 -0.776 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.366 0.542 -1.122 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.808 -0.735 -2.279 1.00 0.18 H new ATOM 414 N CYS A 525 1.409 1.622 -6.376 1.00 0.17 N ATOM 415 CA CYS A 525 1.455 2.599 -7.440 1.00 0.18 C ATOM 416 C CYS A 525 0.265 2.435 -8.367 1.00 0.15 C ATOM 417 O CYS A 525 -0.386 1.386 -8.369 1.00 0.16 O ATOM 418 CB CYS A 525 2.761 2.455 -8.227 1.00 0.29 C ATOM 419 SG CYS A 525 3.042 3.759 -9.445 1.00 1.17 S ATOM 0 H CYS A 525 1.197 0.672 -6.680 1.00 0.17 H new ATOM 0 HA CYS A 525 1.413 3.595 -6.999 1.00 0.18 H new ATOM 0 HB2 CYS A 525 3.595 2.443 -7.525 1.00 0.29 H new ATOM 0 HB3 CYS A 525 2.760 1.492 -8.737 1.00 0.29 H new ATOM 0 HG CYS A 525 3.918 3.357 -10.317 1.00 1.17 H new ATOM 425 N ASN A 526 -0.014 3.498 -9.115 1.00 0.15 N ATOM 426 CA ASN A 526 -1.030 3.507 -10.175 1.00 0.16 C ATOM 427 C ASN A 526 -2.405 3.770 -9.594 1.00 0.15 C ATOM 428 O ASN A 526 -3.421 3.336 -10.132 1.00 0.18 O ATOM 429 CB ASN A 526 -1.026 2.214 -11.006 1.00 0.19 C ATOM 430 CG ASN A 526 0.282 1.993 -11.743 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.986 2.943 -12.089 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.618 0.738 -11.992 1.00 0.26 N ATOM 0 H ASN A 526 0.463 4.393 -9.004 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.774 4.319 -10.855 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.216 1.365 -10.349 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -1.843 2.248 -11.727 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.486 0.531 -12.486 1.00 0.26 H new ATOM 0 HD22 ASN A 526 0.009 -0.023 -11.690 1.00 0.26 H new ATOM 439 N LEU A 527 -2.422 4.510 -8.498 1.00 0.15 N ATOM 440 CA LEU A 527 -3.663 4.940 -7.882 1.00 0.17 C ATOM 441 C LEU A 527 -4.084 6.255 -8.523 1.00 0.22 C ATOM 442 O LEU A 527 -3.303 7.201 -8.545 1.00 0.25 O ATOM 443 CB LEU A 527 -3.463 5.128 -6.373 1.00 0.15 C ATOM 444 CG LEU A 527 -3.268 3.848 -5.557 1.00 0.16 C ATOM 445 CD1 LEU A 527 -2.818 4.183 -4.143 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.560 3.055 -5.511 1.00 0.21 C ATOM 0 H LEU A 527 -1.582 4.827 -8.014 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.437 4.187 -8.033 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.595 5.769 -6.219 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.327 5.660 -5.976 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.497 3.246 -6.038 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -2.684 3.262 -3.576 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -1.874 4.727 -4.181 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.573 4.801 -3.658 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.409 2.147 -4.928 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.341 3.658 -5.048 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -4.860 2.790 -6.525 1.00 0.21 H new ATOM 458 N PRO A 528 -5.300 6.344 -9.075 1.00 0.26 N ATOM 459 CA PRO A 528 -5.754 7.563 -9.736 1.00 0.33 C ATOM 460 C PRO A 528 -6.104 8.662 -8.738 1.00 0.34 C ATOM 461 O PRO A 528 -6.808 8.421 -7.753 1.00 0.32 O ATOM 462 CB PRO A 528 -7.016 7.125 -10.498 1.00 0.38 C ATOM 463 CG PRO A 528 -7.112 5.641 -10.336 1.00 0.37 C ATOM 464 CD PRO A 528 -6.311 5.285 -9.119 1.00 0.29 C ATOM 0 HA PRO A 528 -4.979 7.982 -10.378 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.902 7.618 -10.098 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.948 7.397 -11.551 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.151 5.331 -10.219 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.724 5.130 -11.217 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.926 5.275 -8.219 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.859 4.297 -9.207 1.00 0.29 H new ATOM 472 N GLU A 529 -5.626 9.868 -9.008 1.00 0.41 N ATOM 473 CA GLU A 529 -5.936 11.025 -8.182 1.00 0.46 C ATOM 474 C GLU A 529 -7.425 11.327 -8.269 1.00 0.47 C ATOM 475 O GLU A 529 -7.990 11.387 -9.360 1.00 0.53 O ATOM 476 CB GLU A 529 -5.109 12.226 -8.635 1.00 0.57 C ATOM 477 CG GLU A 529 -5.345 13.490 -7.820 1.00 0.66 C ATOM 478 CD GLU A 529 -4.498 14.655 -8.290 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.880 15.310 -9.279 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.448 14.928 -7.671 1.00 1.41 O ATOM 0 H GLU A 529 -5.017 10.071 -9.800 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.684 10.811 -7.143 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -4.052 11.965 -8.582 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -5.334 12.434 -9.681 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.398 13.764 -7.879 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.127 13.287 -6.771 1.00 0.66 H new ATOM 487 N GLY A 530 -8.058 11.505 -7.121 1.00 0.46 N ATOM 488 CA GLY A 530 -9.497 11.651 -7.091 1.00 0.48 C ATOM 489 C GLY A 530 -10.171 10.321 -6.830 1.00 0.43 C ATOM 490 O GLY A 530 -11.397 10.226 -6.800 1.00 0.46 O ATOM 0 H GLY A 530 -7.602 11.551 -6.210 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.778 12.364 -6.316 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.845 12.059 -8.040 1.00 0.48 H new ATOM 494 N SER A 531 -9.355 9.296 -6.622 1.00 0.37 N ATOM 495 CA SER A 531 -9.840 7.944 -6.396 1.00 0.35 C ATOM 496 C SER A 531 -8.930 7.237 -5.390 1.00 0.28 C ATOM 497 O SER A 531 -9.130 6.068 -5.050 1.00 0.30 O ATOM 498 CB SER A 531 -9.871 7.171 -7.715 1.00 0.40 C ATOM 499 OG SER A 531 -10.450 5.891 -7.550 1.00 1.08 O ATOM 0 H SER A 531 -8.339 9.380 -6.606 1.00 0.37 H new ATOM 0 HA SER A 531 -10.852 7.986 -5.994 1.00 0.35 H new ATOM 0 HB2 SER A 531 -10.437 7.735 -8.456 1.00 0.40 H new ATOM 0 HB3 SER A 531 -8.857 7.066 -8.101 1.00 0.40 H new ATOM 0 HG SER A 531 -10.139 5.497 -6.708 1.00 1.08 H new ATOM 505 N CYS A 532 -7.948 7.971 -4.889 1.00 0.24 N ATOM 506 CA CYS A 532 -6.989 7.420 -3.948 1.00 0.20 C ATOM 507 C CYS A 532 -7.513 7.618 -2.540 1.00 0.18 C ATOM 508 O CYS A 532 -7.213 8.625 -1.901 1.00 0.21 O ATOM 509 CB CYS A 532 -5.628 8.113 -4.079 1.00 0.21 C ATOM 510 SG CYS A 532 -4.859 7.978 -5.700 1.00 0.25 S ATOM 0 H CYS A 532 -7.795 8.953 -5.120 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.859 6.360 -4.164 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.750 9.169 -3.838 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.950 7.693 -3.336 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.761 7.671 -6.584 1.00 0.25 H new ATOM 516 N THR A 533 -8.311 6.688 -2.054 1.00 0.17 N ATOM 517 CA THR A 533 -8.846 6.827 -0.719 1.00 0.18 C ATOM 518 C THR A 533 -8.055 5.940 0.215 1.00 0.17 C ATOM 519 O THR A 533 -7.517 4.913 -0.207 1.00 0.18 O ATOM 520 CB THR A 533 -10.335 6.431 -0.654 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.468 5.013 -0.794 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.131 7.124 -1.753 1.00 0.28 C ATOM 0 H THR A 533 -8.597 5.846 -2.553 1.00 0.17 H new ATOM 0 HA THR A 533 -8.766 7.874 -0.425 1.00 0.18 H new ATOM 0 HB THR A 533 -10.728 6.745 0.313 1.00 0.26 H new ATOM 0 HG1 THR A 533 -10.822 4.804 -1.684 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.178 6.828 -1.686 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.051 8.205 -1.634 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.734 6.836 -2.726 1.00 0.28 H new ATOM 530 N GLU A 534 -7.990 6.316 1.480 1.00 0.19 N ATOM 531 CA GLU A 534 -7.301 5.514 2.468 1.00 0.20 C ATOM 532 C GLU A 534 -7.999 4.180 2.611 1.00 0.19 C ATOM 533 O GLU A 534 -7.366 3.146 2.819 1.00 0.20 O ATOM 534 CB GLU A 534 -7.207 6.244 3.807 1.00 0.23 C ATOM 535 CG GLU A 534 -6.345 7.512 3.762 1.00 0.27 C ATOM 536 CD GLU A 534 -7.056 8.707 3.152 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.719 9.455 3.901 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.945 8.920 1.931 1.00 1.64 O ATOM 0 H GLU A 534 -8.407 7.172 1.845 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.279 5.339 2.132 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.211 6.510 4.136 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.797 5.563 4.553 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -6.031 7.764 4.775 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -5.440 7.307 3.190 1.00 0.27 H new ATOM 545 N ASN A 535 -9.310 4.219 2.461 1.00 0.20 N ATOM 546 CA ASN A 535 -10.131 3.041 2.625 1.00 0.22 C ATOM 547 C ASN A 535 -9.787 1.979 1.581 1.00 0.21 C ATOM 548 O ASN A 535 -9.526 0.846 1.944 1.00 0.21 O ATOM 549 CB ASN A 535 -11.610 3.417 2.529 1.00 0.27 C ATOM 550 CG ASN A 535 -12.524 2.353 3.105 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.833 2.368 4.296 1.00 1.82 O ATOM 552 ND2 ASN A 535 -12.971 1.430 2.273 1.00 1.38 N ATOM 0 H ASN A 535 -9.830 5.064 2.224 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.931 2.621 3.611 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.776 4.357 3.056 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.870 3.587 1.484 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.594 0.697 2.612 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.693 1.450 1.292 1.00 1.38 H new ATOM 559 N ASP A 536 -9.695 2.361 0.301 1.00 0.21 N ATOM 560 CA ASP A 536 -9.510 1.379 -0.785 1.00 0.22 C ATOM 561 C ASP A 536 -8.120 0.752 -0.736 1.00 0.17 C ATOM 562 O ASP A 536 -7.956 -0.462 -0.864 1.00 0.16 O ATOM 563 CB ASP A 536 -9.716 2.019 -2.166 1.00 0.27 C ATOM 564 CG ASP A 536 -11.168 2.330 -2.475 1.00 0.37 C ATOM 565 OD1 ASP A 536 -11.981 1.381 -2.551 1.00 0.44 O ATOM 566 OD2 ASP A 536 -11.508 3.519 -2.641 1.00 0.61 O ATOM 0 H ASP A 536 -9.744 3.331 -0.010 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.262 0.605 -0.634 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.135 2.940 -2.222 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.325 1.348 -2.931 1.00 0.27 H new ATOM 571 N VAL A 537 -7.129 1.608 -0.556 1.00 0.15 N ATOM 572 CA VAL A 537 -5.734 1.180 -0.505 1.00 0.13 C ATOM 573 C VAL A 537 -5.543 0.186 0.642 1.00 0.12 C ATOM 574 O VAL A 537 -4.940 -0.888 0.486 1.00 0.13 O ATOM 575 CB VAL A 537 -4.789 2.393 -0.341 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.330 1.974 -0.420 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.093 3.435 -1.404 1.00 0.13 C ATOM 0 H VAL A 537 -7.262 2.613 -0.441 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.483 0.690 -1.446 1.00 0.13 H new ATOM 0 HB VAL A 537 -4.960 2.823 0.646 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.693 2.850 -0.301 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.114 1.258 0.373 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.136 1.513 -1.388 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.423 4.286 -1.281 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -4.949 2.999 -2.393 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.126 3.769 -1.302 1.00 0.13 H new ATOM 587 N ILE A 538 -6.103 0.532 1.786 1.00 0.12 N ATOM 588 CA ILE A 538 -6.096 -0.348 2.936 1.00 0.12 C ATOM 589 C ILE A 538 -6.967 -1.586 2.693 1.00 0.12 C ATOM 590 O ILE A 538 -6.660 -2.669 3.194 1.00 0.12 O ATOM 591 CB ILE A 538 -6.537 0.384 4.216 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.496 1.427 4.617 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.747 -0.608 5.345 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.872 2.191 5.865 1.00 0.23 C ATOM 0 H ILE A 538 -6.572 1.424 1.942 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.067 -0.678 3.081 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.481 0.892 4.017 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.538 0.933 4.776 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.360 2.130 3.795 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -7.059 -0.076 6.244 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.518 -1.324 5.061 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.815 -1.138 5.542 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -5.092 2.916 6.097 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.815 2.712 5.702 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.981 1.496 6.698 1.00 0.23 H new ATOM 606 N ASN A 539 -8.059 -1.431 1.935 1.00 0.12 N ATOM 607 CA ASN A 539 -8.928 -2.567 1.613 1.00 0.14 C ATOM 608 C ASN A 539 -8.145 -3.652 0.909 1.00 0.15 C ATOM 609 O ASN A 539 -8.510 -4.819 0.975 1.00 0.17 O ATOM 610 CB ASN A 539 -10.113 -2.197 0.703 1.00 0.17 C ATOM 611 CG ASN A 539 -11.168 -1.314 1.337 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.838 -0.551 0.643 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.334 -1.402 2.647 1.00 0.21 N ATOM 0 H ASN A 539 -8.359 -0.541 1.538 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.318 -2.908 2.572 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.726 -1.693 -0.182 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.589 -3.117 0.363 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.036 -0.826 3.112 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.760 -2.046 3.192 1.00 0.21 H new ATOM 620 N LEU A 540 -7.098 -3.271 0.196 1.00 0.15 N ATOM 621 CA LEU A 540 -6.219 -4.253 -0.407 1.00 0.17 C ATOM 622 C LEU A 540 -5.305 -4.863 0.653 1.00 0.16 C ATOM 623 O LEU A 540 -5.063 -6.069 0.662 1.00 0.19 O ATOM 624 CB LEU A 540 -5.377 -3.595 -1.497 1.00 0.19 C ATOM 625 CG LEU A 540 -6.167 -2.992 -2.659 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.224 -2.335 -3.648 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.012 -4.052 -3.350 1.00 0.24 C ATOM 0 H LEU A 540 -6.840 -2.300 0.023 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.825 -5.044 -0.849 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.774 -2.809 -1.042 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.685 -4.337 -1.896 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.840 -2.233 -2.259 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.798 -1.909 -4.471 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.666 -1.544 -3.148 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.529 -3.079 -4.037 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.564 -3.598 -4.173 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.364 -4.838 -3.738 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.714 -4.481 -2.635 1.00 0.24 H new ATOM 639 N GLY A 541 -4.804 -4.010 1.545 1.00 0.14 N ATOM 640 CA GLY A 541 -3.920 -4.463 2.612 1.00 0.16 C ATOM 641 C GLY A 541 -4.523 -5.476 3.575 1.00 0.15 C ATOM 642 O GLY A 541 -3.949 -6.541 3.803 1.00 0.19 O ATOM 0 H GLY A 541 -4.995 -3.008 1.549 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.030 -4.901 2.161 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.593 -3.594 3.183 1.00 0.16 H new ATOM 646 N LEU A 542 -5.688 -5.162 4.114 1.00 0.13 N ATOM 647 CA LEU A 542 -6.254 -5.913 5.238 1.00 0.14 C ATOM 648 C LEU A 542 -6.513 -7.407 4.960 1.00 0.16 C ATOM 649 O LEU A 542 -6.218 -8.239 5.822 1.00 0.20 O ATOM 650 CB LEU A 542 -7.525 -5.231 5.729 1.00 0.13 C ATOM 651 CG LEU A 542 -7.291 -3.903 6.446 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.601 -3.177 6.671 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.580 -4.133 7.769 1.00 0.16 C ATOM 0 H LEU A 542 -6.270 -4.388 3.794 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.489 -5.902 6.014 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.183 -5.059 4.877 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.048 -5.908 6.405 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.658 -3.280 5.814 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.411 -2.234 7.183 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -9.077 -2.979 5.711 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.259 -3.795 7.282 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.421 -3.177 8.267 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.191 -4.776 8.403 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.618 -4.612 7.587 1.00 0.16 H new ATOM 665 N PRO A 543 -7.078 -7.791 3.796 1.00 0.17 N ATOM 666 CA PRO A 543 -7.387 -9.200 3.502 1.00 0.19 C ATOM 667 C PRO A 543 -6.170 -10.126 3.562 1.00 0.20 C ATOM 668 O PRO A 543 -6.311 -11.320 3.838 1.00 0.23 O ATOM 669 CB PRO A 543 -7.948 -9.149 2.078 1.00 0.22 C ATOM 670 CG PRO A 543 -8.487 -7.773 1.953 1.00 0.21 C ATOM 671 CD PRO A 543 -7.511 -6.913 2.695 1.00 0.17 C ATOM 0 HA PRO A 543 -8.072 -9.613 4.243 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.173 -9.343 1.337 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -8.726 -9.897 1.929 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.566 -7.472 0.908 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.486 -7.699 2.382 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.675 -6.612 2.064 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -7.976 -5.999 3.065 1.00 0.17 H new ATOM 679 N PHE A 544 -4.976 -9.596 3.310 1.00 0.20 N ATOM 680 CA PHE A 544 -3.770 -10.411 3.381 1.00 0.22 C ATOM 681 C PHE A 544 -3.029 -10.183 4.696 1.00 0.22 C ATOM 682 O PHE A 544 -2.178 -10.986 5.085 1.00 0.28 O ATOM 683 CB PHE A 544 -2.840 -10.086 2.210 1.00 0.23 C ATOM 684 CG PHE A 544 -3.458 -10.285 0.856 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.358 -11.506 0.209 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.146 -9.257 0.237 1.00 0.28 C ATOM 687 CE1 PHE A 544 -3.932 -11.694 -1.033 1.00 0.33 C ATOM 688 CE2 PHE A 544 -4.721 -9.439 -1.005 1.00 0.32 C ATOM 689 CZ PHE A 544 -4.587 -10.649 -1.654 1.00 0.33 C ATOM 0 H PHE A 544 -4.820 -8.620 3.058 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.072 -11.457 3.327 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.512 -9.050 2.298 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -1.949 -10.710 2.285 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -2.826 -12.319 0.681 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.234 -8.301 0.731 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -3.869 -12.657 -1.518 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.275 -8.635 -1.468 1.00 0.32 H new ATOM 0 HZ PHE A 544 -4.994 -10.779 -2.646 1.00 0.33 H new ATOM 699 N GLY A 545 -3.357 -9.098 5.382 1.00 0.19 N ATOM 700 CA GLY A 545 -2.722 -8.810 6.652 1.00 0.21 C ATOM 701 C GLY A 545 -3.219 -7.522 7.268 1.00 0.21 C ATOM 702 O GLY A 545 -3.708 -6.643 6.566 1.00 0.44 O ATOM 0 H GLY A 545 -4.051 -8.413 5.083 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.906 -9.634 7.342 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.643 -8.748 6.510 1.00 0.21 H new ATOM 706 N LYS A 546 -3.097 -7.408 8.580 1.00 0.27 N ATOM 707 CA LYS A 546 -3.566 -6.227 9.289 1.00 0.25 C ATOM 708 C LYS A 546 -2.733 -5.002 8.914 1.00 0.20 C ATOM 709 O LYS A 546 -1.503 -5.051 8.909 1.00 0.24 O ATOM 710 CB LYS A 546 -3.513 -6.468 10.800 1.00 0.35 C ATOM 711 CG LYS A 546 -4.129 -5.352 11.628 1.00 0.41 C ATOM 712 CD LYS A 546 -4.101 -5.689 13.109 1.00 0.92 C ATOM 713 CE LYS A 546 -4.723 -4.584 13.947 1.00 1.60 C ATOM 714 NZ LYS A 546 -4.719 -4.920 15.395 1.00 2.07 N ATOM 0 H LYS A 546 -2.677 -8.120 9.177 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.599 -6.035 8.998 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -4.029 -7.401 11.027 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.473 -6.597 11.100 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -3.586 -4.423 11.453 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -5.158 -5.184 11.310 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.638 -6.622 13.280 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -3.071 -5.851 13.426 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -4.175 -3.655 13.788 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -5.747 -4.410 13.617 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -5.151 -4.142 15.933 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -5.263 -5.793 15.550 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -3.740 -5.061 15.716 1.00 2.07 H new ATOM 728 N VAL A 547 -3.414 -3.910 8.598 1.00 0.16 N ATOM 729 CA VAL A 547 -2.755 -2.667 8.248 1.00 0.15 C ATOM 730 C VAL A 547 -2.473 -1.848 9.498 1.00 0.18 C ATOM 731 O VAL A 547 -3.392 -1.421 10.197 1.00 0.20 O ATOM 732 CB VAL A 547 -3.621 -1.849 7.264 1.00 0.16 C ATOM 733 CG1 VAL A 547 -3.030 -0.474 6.998 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.783 -2.609 5.958 1.00 0.14 C ATOM 0 H VAL A 547 -4.433 -3.864 8.578 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.809 -2.907 7.762 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.598 -1.704 7.725 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.669 0.068 6.301 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.962 0.080 7.934 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -2.035 -0.583 6.567 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.395 -2.025 5.271 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.803 -2.782 5.514 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.268 -3.566 6.152 1.00 0.14 H new ATOM 744 N THR A 548 -1.198 -1.653 9.787 1.00 0.20 N ATOM 745 CA THR A 548 -0.798 -0.862 10.933 1.00 0.23 C ATOM 746 C THR A 548 -0.441 0.566 10.534 1.00 0.23 C ATOM 747 O THR A 548 -0.711 1.507 11.279 1.00 0.27 O ATOM 748 CB THR A 548 0.377 -1.530 11.671 1.00 0.27 C ATOM 749 OG1 THR A 548 1.398 -1.902 10.735 1.00 0.26 O ATOM 750 CG2 THR A 548 -0.096 -2.759 12.434 1.00 0.31 C ATOM 0 H THR A 548 -0.423 -2.032 9.243 1.00 0.20 H new ATOM 0 HA THR A 548 -1.650 -0.811 11.611 1.00 0.23 H new ATOM 0 HB THR A 548 0.786 -0.814 12.384 1.00 0.27 H new ATOM 0 HG1 THR A 548 1.992 -1.138 10.578 1.00 0.26 H new ATOM 0 HG21 THR A 548 0.750 -3.216 12.948 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.850 -2.466 13.165 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.527 -3.477 11.736 1.00 0.31 H new ATOM 758 N ASN A 549 0.125 0.728 9.346 1.00 0.20 N ATOM 759 CA ASN A 549 0.438 2.055 8.817 1.00 0.21 C ATOM 760 C ASN A 549 0.172 2.112 7.325 1.00 0.18 C ATOM 761 O ASN A 549 0.122 1.089 6.649 1.00 0.20 O ATOM 762 CB ASN A 549 1.897 2.467 9.070 1.00 0.26 C ATOM 763 CG ASN A 549 2.190 2.888 10.493 1.00 0.40 C ATOM 764 OD1 ASN A 549 1.304 3.302 11.239 1.00 1.26 O ATOM 765 ND2 ASN A 549 3.451 2.818 10.869 1.00 0.81 N ATOM 0 H ASN A 549 0.378 -0.042 8.727 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.211 2.752 9.347 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.548 1.632 8.810 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.151 3.289 8.401 1.00 0.26 H new ATOM 0 HD21 ASN A 549 3.720 3.113 11.808 1.00 0.81 H new ATOM 0 HD22 ASN A 549 4.158 2.469 10.222 1.00 0.81 H new ATOM 772 N TYR A 550 -0.034 3.316 6.833 1.00 0.17 N ATOM 773 CA TYR A 550 -0.287 3.549 5.427 1.00 0.17 C ATOM 774 C TYR A 550 -0.044 5.018 5.116 1.00 0.17 C ATOM 775 O TYR A 550 -0.198 5.869 5.991 1.00 0.17 O ATOM 776 CB TYR A 550 -1.727 3.151 5.082 1.00 0.17 C ATOM 777 CG TYR A 550 -2.767 3.867 5.916 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.638 4.771 5.334 1.00 0.19 C ATOM 779 CD2 TYR A 550 -2.867 3.652 7.286 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.577 5.439 6.091 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.805 4.315 8.046 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.658 5.209 7.441 1.00 0.25 C ATOM 783 OH TYR A 550 -5.592 5.875 8.188 1.00 0.31 O ATOM 0 H TYR A 550 -0.031 4.164 7.400 1.00 0.17 H new ATOM 0 HA TYR A 550 0.387 2.941 4.823 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -1.911 3.360 4.028 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -1.841 2.076 5.218 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.581 4.956 4.271 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.197 2.952 7.763 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.248 6.143 5.622 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.870 4.134 9.109 1.00 0.24 H new ATOM 0 HH TYR A 550 -5.651 5.468 9.077 1.00 0.31 H new ATOM 793 N ILE A 551 0.341 5.315 3.887 1.00 0.18 N ATOM 794 CA ILE A 551 0.590 6.685 3.464 1.00 0.16 C ATOM 795 C ILE A 551 0.111 6.830 2.038 1.00 0.17 C ATOM 796 O ILE A 551 0.566 6.099 1.168 1.00 0.20 O ATOM 797 CB ILE A 551 2.096 7.017 3.473 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.748 6.609 4.798 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.319 8.499 3.207 1.00 0.22 C ATOM 800 CD1 ILE A 551 4.252 6.771 4.813 1.00 0.20 C ATOM 0 H ILE A 551 0.490 4.619 3.157 1.00 0.18 H new ATOM 0 HA ILE A 551 0.071 7.354 4.151 1.00 0.16 H new ATOM 0 HB ILE A 551 2.568 6.443 2.675 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.319 7.207 5.602 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.502 5.568 5.008 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.388 8.714 3.217 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.906 8.760 2.233 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.824 9.086 3.980 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.642 6.463 5.783 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.692 6.152 4.032 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.507 7.816 4.635 1.00 0.20 H new ATOM 812 N LEU A 552 -0.793 7.742 1.769 1.00 0.16 N ATOM 813 CA LEU A 552 -1.279 7.875 0.414 1.00 0.19 C ATOM 814 C LEU A 552 -0.786 9.168 -0.189 1.00 0.19 C ATOM 815 O LEU A 552 -1.007 10.231 0.381 1.00 0.26 O ATOM 816 CB LEU A 552 -2.796 7.818 0.347 1.00 0.27 C ATOM 817 CG LEU A 552 -3.440 6.571 0.930 1.00 0.30 C ATOM 818 CD1 LEU A 552 -4.885 6.519 0.510 1.00 0.43 C ATOM 819 CD2 LEU A 552 -2.713 5.312 0.508 1.00 0.42 C ATOM 0 H LEU A 552 -1.198 8.387 2.448 1.00 0.16 H new ATOM 0 HA LEU A 552 -0.890 7.033 -0.158 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.196 8.688 0.868 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.098 7.905 -0.697 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.376 6.624 2.017 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.353 5.626 0.925 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.403 7.405 0.878 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -4.947 6.488 -0.578 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.205 4.444 0.946 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -2.730 5.229 -0.579 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -1.680 5.356 0.852 1.00 0.42 H new ATOM 831 N MET A 553 -0.165 9.107 -1.352 1.00 0.18 N ATOM 832 CA MET A 553 0.296 10.324 -1.984 1.00 0.26 C ATOM 833 C MET A 553 -0.574 10.598 -3.189 1.00 0.26 C ATOM 834 O MET A 553 -0.234 10.242 -4.320 1.00 0.25 O ATOM 835 CB MET A 553 1.757 10.199 -2.419 1.00 0.35 C ATOM 836 CG MET A 553 2.732 9.981 -1.275 1.00 0.56 C ATOM 837 SD MET A 553 4.421 9.728 -1.855 1.00 1.03 S ATOM 838 CE MET A 553 4.245 8.198 -2.765 1.00 0.80 C ATOM 0 H MET A 553 0.028 8.248 -1.867 1.00 0.18 H new ATOM 0 HA MET A 553 0.229 11.145 -1.270 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.846 9.369 -3.120 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.042 11.103 -2.957 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.704 10.842 -0.608 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.417 9.116 -0.692 1.00 0.56 H new ATOM 0 HE1 MET A 553 5.026 7.502 -2.460 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.268 7.761 -2.557 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.333 8.398 -3.833 1.00 0.80 H new ATOM 848 N LYS A 554 -1.709 11.227 -2.928 1.00 0.32 N ATOM 849 CA LYS A 554 -2.638 11.625 -3.977 1.00 0.37 C ATOM 850 C LYS A 554 -1.952 12.449 -5.064 1.00 0.38 C ATOM 851 O LYS A 554 -2.356 12.412 -6.222 1.00 0.40 O ATOM 852 CB LYS A 554 -3.804 12.426 -3.378 1.00 0.47 C ATOM 853 CG LYS A 554 -4.195 12.016 -1.957 1.00 0.43 C ATOM 854 CD LYS A 554 -4.567 10.545 -1.853 1.00 0.37 C ATOM 855 CE LYS A 554 -4.981 10.163 -0.437 1.00 0.39 C ATOM 856 NZ LYS A 554 -6.377 10.563 -0.123 1.00 1.03 N ATOM 0 H LYS A 554 -2.013 11.476 -1.987 1.00 0.32 H new ATOM 0 HA LYS A 554 -3.018 10.713 -4.438 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.539 13.483 -3.377 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.674 12.316 -4.026 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.366 12.226 -1.281 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -5.037 12.624 -1.626 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.384 10.327 -2.541 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.719 9.933 -2.161 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -4.879 9.085 -0.311 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.303 10.633 0.275 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.597 10.311 0.862 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -6.480 11.590 -0.249 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -7.032 10.068 -0.762 1.00 1.03 H new ATOM 870 N SER A 555 -0.907 13.172 -4.693 1.00 0.40 N ATOM 871 CA SER A 555 -0.247 14.077 -5.614 1.00 0.44 C ATOM 872 C SER A 555 0.531 13.319 -6.695 1.00 0.38 C ATOM 873 O SER A 555 0.516 13.702 -7.866 1.00 0.38 O ATOM 874 CB SER A 555 0.679 15.003 -4.831 1.00 0.51 C ATOM 875 OG SER A 555 1.625 14.259 -4.081 1.00 0.50 O ATOM 0 H SER A 555 -0.499 13.148 -3.759 1.00 0.40 H new ATOM 0 HA SER A 555 -1.008 14.667 -6.125 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.198 15.670 -5.519 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.091 15.630 -4.161 1.00 0.51 H new ATOM 0 HG SER A 555 2.209 14.874 -3.589 1.00 0.50 H new ATOM 881 N THR A 556 1.208 12.244 -6.303 1.00 0.34 N ATOM 882 CA THR A 556 2.049 11.494 -7.227 1.00 0.32 C ATOM 883 C THR A 556 1.341 10.259 -7.772 1.00 0.27 C ATOM 884 O THR A 556 1.931 9.484 -8.529 1.00 0.28 O ATOM 885 CB THR A 556 3.357 11.050 -6.541 1.00 0.36 C ATOM 886 OG1 THR A 556 3.054 10.321 -5.344 1.00 0.34 O ATOM 887 CG2 THR A 556 4.233 12.243 -6.197 1.00 0.45 C ATOM 0 H THR A 556 1.190 11.874 -5.353 1.00 0.34 H new ATOM 0 HA THR A 556 2.272 12.165 -8.057 1.00 0.32 H new ATOM 0 HB THR A 556 3.902 10.413 -7.237 1.00 0.36 H new ATOM 0 HG1 THR A 556 3.745 10.495 -4.671 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.147 11.896 -5.715 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.486 12.783 -7.109 1.00 0.45 H new ATOM 0 HG23 THR A 556 3.695 12.906 -5.520 1.00 0.45 H new ATOM 895 N ASN A 557 0.069 10.098 -7.402 1.00 0.26 N ATOM 896 CA ASN A 557 -0.722 8.929 -7.796 1.00 0.26 C ATOM 897 C ASN A 557 -0.052 7.640 -7.315 1.00 0.21 C ATOM 898 O ASN A 557 -0.059 6.616 -8.004 1.00 0.25 O ATOM 899 CB ASN A 557 -0.906 8.895 -9.322 1.00 0.31 C ATOM 900 CG ASN A 557 -1.804 10.003 -9.846 1.00 0.38 C ATOM 901 OD1 ASN A 557 -3.009 9.819 -10.018 1.00 1.09 O ATOM 902 ND2 ASN A 557 -1.225 11.161 -10.117 1.00 1.28 N ATOM 0 H ASN A 557 -0.439 10.768 -6.825 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.703 9.005 -7.328 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.070 8.972 -9.800 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.326 7.931 -9.609 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.780 11.936 -10.480 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -0.224 11.279 -9.963 1.00 1.28 H new ATOM 909 N GLN A 558 0.515 7.702 -6.114 1.00 0.17 N ATOM 910 CA GLN A 558 1.261 6.584 -5.538 1.00 0.17 C ATOM 911 C GLN A 558 1.010 6.519 -4.042 1.00 0.16 C ATOM 912 O GLN A 558 0.502 7.475 -3.464 1.00 0.20 O ATOM 913 CB GLN A 558 2.759 6.736 -5.809 1.00 0.22 C ATOM 914 CG GLN A 558 3.120 6.689 -7.281 1.00 0.29 C ATOM 915 CD GLN A 558 4.611 6.768 -7.522 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.408 6.323 -6.698 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.000 7.328 -8.656 1.00 0.84 N ATOM 0 H GLN A 558 0.472 8.525 -5.513 1.00 0.17 H new ATOM 0 HA GLN A 558 0.919 5.660 -6.004 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.101 7.683 -5.390 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.296 5.944 -5.287 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.735 5.767 -7.716 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.629 7.514 -7.797 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.306 7.685 -9.313 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.994 7.403 -8.873 1.00 0.84 H new ATOM 926 N ALA A 559 1.339 5.401 -3.406 1.00 0.15 N ATOM 927 CA ALA A 559 1.051 5.244 -1.993 1.00 0.14 C ATOM 928 C ALA A 559 1.942 4.202 -1.317 1.00 0.14 C ATOM 929 O ALA A 559 2.649 3.439 -1.970 1.00 0.16 O ATOM 930 CB ALA A 559 -0.405 4.884 -1.812 1.00 0.15 C ATOM 0 H ALA A 559 1.799 4.602 -3.842 1.00 0.15 H new ATOM 0 HA ALA A 559 1.265 6.197 -1.509 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.621 4.766 -0.750 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.030 5.677 -2.224 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.616 3.949 -2.331 1.00 0.15 H new ATOM 936 N PHE A 560 1.920 4.224 0.005 1.00 0.14 N ATOM 937 CA PHE A 560 2.624 3.251 0.831 1.00 0.15 C ATOM 938 C PHE A 560 1.632 2.514 1.720 1.00 0.14 C ATOM 939 O PHE A 560 0.709 3.121 2.265 1.00 0.16 O ATOM 940 CB PHE A 560 3.673 3.931 1.716 1.00 0.16 C ATOM 941 CG PHE A 560 4.764 4.643 0.965 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.877 3.952 0.519 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.684 6.007 0.724 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.891 4.605 -0.155 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.693 6.663 0.049 1.00 0.35 C ATOM 946 CZ PHE A 560 6.798 5.962 -0.390 1.00 0.30 C ATOM 0 H PHE A 560 1.409 4.924 0.543 1.00 0.14 H new ATOM 0 HA PHE A 560 3.127 2.549 0.166 1.00 0.15 H new ATOM 0 HB2 PHE A 560 3.171 4.648 2.366 1.00 0.16 H new ATOM 0 HB3 PHE A 560 4.126 3.179 2.362 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.954 2.890 0.700 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.823 6.561 1.068 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.755 4.055 -0.497 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.618 7.724 -0.136 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.589 6.475 -0.917 1.00 0.30 H new ATOM 956 N LEU A 561 1.822 1.214 1.866 1.00 0.14 N ATOM 957 CA LEU A 561 0.938 0.401 2.685 1.00 0.14 C ATOM 958 C LEU A 561 1.752 -0.528 3.582 1.00 0.16 C ATOM 959 O LEU A 561 2.527 -1.352 3.102 1.00 0.18 O ATOM 960 CB LEU A 561 -0.001 -0.398 1.772 1.00 0.15 C ATOM 961 CG LEU A 561 -1.081 -1.232 2.463 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.996 -0.347 3.296 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.880 -2.004 1.421 1.00 0.20 C ATOM 0 H LEU A 561 2.583 0.697 1.426 1.00 0.14 H new ATOM 0 HA LEU A 561 0.340 1.045 3.330 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.491 0.300 1.093 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.605 -1.065 1.160 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.600 -1.942 3.136 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.756 -0.961 3.778 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.410 0.168 4.057 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.478 0.387 2.651 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.648 -2.597 1.917 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.351 -1.304 0.731 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -1.213 -2.665 0.867 1.00 0.20 H new ATOM 975 N GLU A 562 1.583 -0.373 4.885 1.00 0.17 N ATOM 976 CA GLU A 562 2.308 -1.183 5.854 1.00 0.20 C ATOM 977 C GLU A 562 1.435 -2.303 6.389 1.00 0.18 C ATOM 978 O GLU A 562 0.359 -2.071 6.946 1.00 0.18 O ATOM 979 CB GLU A 562 2.811 -0.319 7.011 1.00 0.27 C ATOM 980 CG GLU A 562 3.612 -1.074 8.059 1.00 0.57 C ATOM 981 CD GLU A 562 3.981 -0.200 9.242 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.784 0.741 9.065 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.482 -0.452 10.353 1.00 1.21 O ATOM 0 H GLU A 562 0.947 0.309 5.299 1.00 0.17 H new ATOM 0 HA GLU A 562 3.164 -1.624 5.343 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.429 0.483 6.607 1.00 0.27 H new ATOM 0 HB3 GLU A 562 1.955 0.152 7.495 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.034 -1.929 8.409 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.521 -1.468 7.604 1.00 0.57 H new ATOM 990 N MET A 563 1.920 -3.515 6.214 1.00 0.25 N ATOM 991 CA MET A 563 1.246 -4.699 6.705 1.00 0.23 C ATOM 992 C MET A 563 1.946 -5.172 7.969 1.00 0.27 C ATOM 993 O MET A 563 3.110 -4.842 8.194 1.00 0.39 O ATOM 994 CB MET A 563 1.275 -5.772 5.625 1.00 0.25 C ATOM 995 CG MET A 563 0.642 -5.292 4.333 1.00 0.25 C ATOM 996 SD MET A 563 1.762 -5.366 2.929 1.00 0.31 S ATOM 997 CE MET A 563 0.926 -4.261 1.788 1.00 0.25 C ATOM 0 H MET A 563 2.795 -3.707 5.726 1.00 0.25 H new ATOM 0 HA MET A 563 0.205 -4.481 6.944 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.307 -6.068 5.435 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.749 -6.658 5.980 1.00 0.25 H new ATOM 0 HG2 MET A 563 -0.239 -5.898 4.120 1.00 0.25 H new ATOM 0 HG3 MET A 563 0.299 -4.266 4.463 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.073 -4.613 0.767 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.140 -4.242 2.015 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.337 -3.256 1.888 1.00 0.25 H new ATOM 1007 N ALA A 564 1.235 -5.931 8.792 1.00 0.28 N ATOM 1008 CA ALA A 564 1.734 -6.315 10.107 1.00 0.33 C ATOM 1009 C ALA A 564 2.769 -7.428 10.018 1.00 0.27 C ATOM 1010 O ALA A 564 3.505 -7.678 10.973 1.00 0.40 O ATOM 1011 CB ALA A 564 0.581 -6.729 11.010 1.00 0.50 C ATOM 0 H ALA A 564 0.308 -6.294 8.572 1.00 0.28 H new ATOM 0 HA ALA A 564 2.228 -5.445 10.539 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.969 -7.013 11.988 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.111 -5.894 11.122 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.058 -7.577 10.567 1.00 0.50 H new ATOM 1017 N TYR A 565 2.818 -8.097 8.876 1.00 0.27 N ATOM 1018 CA TYR A 565 3.790 -9.156 8.651 1.00 0.37 C ATOM 1019 C TYR A 565 4.315 -9.104 7.221 1.00 0.33 C ATOM 1020 O TYR A 565 3.613 -8.679 6.302 1.00 0.29 O ATOM 1021 CB TYR A 565 3.165 -10.527 8.924 1.00 0.55 C ATOM 1022 CG TYR A 565 2.881 -10.798 10.383 1.00 0.68 C ATOM 1023 CD1 TYR A 565 1.597 -10.689 10.895 1.00 0.75 C ATOM 1024 CD2 TYR A 565 3.903 -11.163 11.248 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.338 -10.935 12.229 1.00 0.90 C ATOM 1026 CE2 TYR A 565 3.654 -11.412 12.582 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.369 -11.297 13.068 1.00 0.98 C ATOM 1028 OH TYR A 565 2.116 -11.541 14.401 1.00 1.15 O ATOM 0 H TYR A 565 2.194 -7.924 8.088 1.00 0.27 H new ATOM 0 HA TYR A 565 4.622 -9.004 9.339 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.234 -10.608 8.363 1.00 0.55 H new ATOM 0 HB3 TYR A 565 3.833 -11.300 8.546 1.00 0.55 H new ATOM 0 HD1 TYR A 565 0.786 -10.407 10.240 1.00 0.75 H new ATOM 0 HD2 TYR A 565 4.911 -11.254 10.870 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.332 -10.844 12.613 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.461 -11.695 13.242 1.00 1.00 H new ATOM 0 HH TYR A 565 2.950 -11.786 14.853 1.00 1.15 H new ATOM 1038 N THR A 566 5.559 -9.538 7.048 1.00 0.39 N ATOM 1039 CA THR A 566 6.200 -9.544 5.738 1.00 0.40 C ATOM 1040 C THR A 566 5.527 -10.569 4.820 1.00 0.36 C ATOM 1041 O THR A 566 5.536 -10.424 3.597 1.00 0.35 O ATOM 1042 CB THR A 566 7.723 -9.818 5.840 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.357 -9.556 4.582 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.008 -11.252 6.257 1.00 0.57 C ATOM 0 H THR A 566 6.146 -9.892 7.803 1.00 0.39 H new ATOM 0 HA THR A 566 6.078 -8.550 5.307 1.00 0.40 H new ATOM 0 HB THR A 566 8.125 -9.152 6.604 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.318 -9.731 4.658 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.085 -11.406 6.318 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.559 -11.444 7.231 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.585 -11.936 5.521 1.00 0.57 H new ATOM 1052 N GLU A 567 4.941 -11.603 5.429 1.00 0.38 N ATOM 1053 CA GLU A 567 4.176 -12.607 4.697 1.00 0.40 C ATOM 1054 C GLU A 567 3.046 -11.955 3.910 1.00 0.31 C ATOM 1055 O GLU A 567 2.689 -12.405 2.823 1.00 0.32 O ATOM 1056 CB GLU A 567 3.615 -13.657 5.660 1.00 0.49 C ATOM 1057 CG GLU A 567 2.626 -13.102 6.672 1.00 0.55 C ATOM 1058 CD GLU A 567 2.344 -14.073 7.795 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.228 -14.269 8.656 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.227 -14.633 7.830 1.00 0.84 O ATOM 0 H GLU A 567 4.985 -11.764 6.435 1.00 0.38 H new ATOM 0 HA GLU A 567 4.846 -13.101 3.993 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.126 -14.441 5.082 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.442 -14.124 6.194 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.018 -12.174 7.088 1.00 0.55 H new ATOM 0 HG3 GLU A 567 1.693 -12.855 6.166 1.00 0.55 H new ATOM 1067 N ALA A 568 2.509 -10.873 4.463 1.00 0.26 N ATOM 1068 CA ALA A 568 1.421 -10.158 3.828 1.00 0.24 C ATOM 1069 C ALA A 568 1.942 -9.381 2.637 1.00 0.21 C ATOM 1070 O ALA A 568 1.339 -9.388 1.571 1.00 0.22 O ATOM 1071 CB ALA A 568 0.744 -9.220 4.814 1.00 0.25 C ATOM 0 H ALA A 568 2.814 -10.475 5.351 1.00 0.26 H new ATOM 0 HA ALA A 568 0.682 -10.882 3.486 1.00 0.24 H new ATOM 0 HB1 ALA A 568 -0.070 -8.694 4.315 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.346 -9.796 5.649 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.470 -8.497 5.185 1.00 0.25 H new ATOM 1077 N ALA A 569 3.098 -8.748 2.820 1.00 0.19 N ATOM 1078 CA ALA A 569 3.675 -7.880 1.805 1.00 0.21 C ATOM 1079 C ALA A 569 4.026 -8.653 0.544 1.00 0.22 C ATOM 1080 O ALA A 569 3.724 -8.214 -0.564 1.00 0.24 O ATOM 1081 CB ALA A 569 4.916 -7.197 2.359 1.00 0.23 C ATOM 0 H ALA A 569 3.655 -8.823 3.671 1.00 0.19 H new ATOM 0 HA ALA A 569 2.931 -7.129 1.539 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.345 -6.548 1.596 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.645 -6.602 3.231 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.648 -7.951 2.648 1.00 0.23 H new ATOM 1087 N GLN A 570 4.653 -9.811 0.712 1.00 0.24 N ATOM 1088 CA GLN A 570 5.002 -10.638 -0.432 1.00 0.28 C ATOM 1089 C GLN A 570 3.747 -11.212 -1.073 1.00 0.27 C ATOM 1090 O GLN A 570 3.674 -11.348 -2.292 1.00 0.29 O ATOM 1091 CB GLN A 570 5.983 -11.751 -0.058 1.00 0.34 C ATOM 1092 CG GLN A 570 5.494 -12.690 1.027 1.00 0.38 C ATOM 1093 CD GLN A 570 6.415 -13.879 1.204 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.037 -14.343 0.250 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.526 -14.366 2.426 1.00 1.04 N ATOM 0 H GLN A 570 4.926 -10.193 1.617 1.00 0.24 H new ATOM 0 HA GLN A 570 5.506 -10.000 -1.158 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.206 -12.335 -0.951 1.00 0.34 H new ATOM 0 HB3 GLN A 570 6.919 -11.297 0.268 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.417 -12.147 1.969 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.492 -13.041 0.779 1.00 0.38 H new ATOM 0 HE21 GLN A 570 5.992 -13.952 3.190 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.145 -15.156 2.606 1.00 1.04 H new ATOM 1104 N ALA A 571 2.754 -11.531 -0.247 1.00 0.26 N ATOM 1105 CA ALA A 571 1.485 -12.038 -0.743 1.00 0.27 C ATOM 1106 C ALA A 571 0.815 -11.003 -1.637 1.00 0.25 C ATOM 1107 O ALA A 571 0.220 -11.350 -2.656 1.00 0.27 O ATOM 1108 CB ALA A 571 0.571 -12.416 0.412 1.00 0.31 C ATOM 0 H ALA A 571 2.807 -11.446 0.768 1.00 0.26 H new ATOM 0 HA ALA A 571 1.678 -12.934 -1.333 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.374 -12.793 0.020 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.048 -13.188 1.016 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.383 -11.538 1.029 1.00 0.31 H new ATOM 1114 N MET A 572 0.934 -9.730 -1.255 1.00 0.25 N ATOM 1115 CA MET A 572 0.405 -8.635 -2.067 1.00 0.28 C ATOM 1116 C MET A 572 1.067 -8.642 -3.432 1.00 0.24 C ATOM 1117 O MET A 572 0.396 -8.614 -4.464 1.00 0.24 O ATOM 1118 CB MET A 572 0.685 -7.271 -1.426 1.00 0.37 C ATOM 1119 CG MET A 572 0.323 -7.159 0.040 1.00 0.47 C ATOM 1120 SD MET A 572 -1.447 -7.166 0.351 1.00 0.36 S ATOM 1121 CE MET A 572 -1.447 -6.993 2.135 1.00 0.33 C ATOM 0 H MET A 572 1.390 -9.434 -0.392 1.00 0.25 H new ATOM 0 HA MET A 572 -0.672 -8.785 -2.148 1.00 0.28 H new ATOM 0 HB2 MET A 572 1.745 -7.045 -1.540 1.00 0.37 H new ATOM 0 HB3 MET A 572 0.136 -6.509 -1.978 1.00 0.37 H new ATOM 0 HG2 MET A 572 0.781 -7.986 0.582 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.750 -6.240 0.441 1.00 0.47 H new ATOM 0 HE1 MET A 572 -2.369 -7.409 2.541 1.00 0.33 H new ATOM 0 HE2 MET A 572 -0.593 -7.527 2.552 1.00 0.33 H new ATOM 0 HE3 MET A 572 -1.379 -5.937 2.398 1.00 0.33 H new ATOM 1131 N VAL A 573 2.393 -8.710 -3.424 1.00 0.24 N ATOM 1132 CA VAL A 573 3.163 -8.633 -4.652 1.00 0.27 C ATOM 1133 C VAL A 573 2.840 -9.815 -5.548 1.00 0.25 C ATOM 1134 O VAL A 573 2.499 -9.641 -6.709 1.00 0.28 O ATOM 1135 CB VAL A 573 4.681 -8.614 -4.368 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.477 -8.489 -5.660 1.00 0.34 C ATOM 1137 CG2 VAL A 573 5.032 -7.491 -3.405 1.00 0.32 C ATOM 0 H VAL A 573 2.954 -8.818 -2.579 1.00 0.24 H new ATOM 0 HA VAL A 573 2.891 -7.703 -5.151 1.00 0.27 H new ATOM 0 HB VAL A 573 4.950 -9.561 -3.900 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.543 -8.478 -5.431 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.254 -9.336 -6.308 1.00 0.34 H new ATOM 0 HG13 VAL A 573 5.205 -7.563 -6.167 1.00 0.34 H new ATOM 0 HG21 VAL A 573 6.106 -7.495 -3.218 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.743 -6.535 -3.840 1.00 0.32 H new ATOM 0 HG23 VAL A 573 4.499 -7.638 -2.465 1.00 0.32 H new ATOM 1147 N GLN A 574 2.878 -11.012 -4.980 1.00 0.23 N ATOM 1148 CA GLN A 574 2.628 -12.220 -5.751 1.00 0.25 C ATOM 1149 C GLN A 574 1.215 -12.212 -6.316 1.00 0.23 C ATOM 1150 O GLN A 574 0.982 -12.662 -7.437 1.00 0.26 O ATOM 1151 CB GLN A 574 2.837 -13.470 -4.888 1.00 0.28 C ATOM 1152 CG GLN A 574 4.237 -13.584 -4.303 1.00 0.33 C ATOM 1153 CD GLN A 574 5.331 -13.583 -5.356 1.00 1.30 C ATOM 1154 OE1 GLN A 574 6.433 -13.093 -5.116 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.048 -14.150 -6.518 1.00 2.09 N ATOM 0 H GLN A 574 3.079 -11.172 -3.993 1.00 0.23 H new ATOM 0 HA GLN A 574 3.338 -12.243 -6.577 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.112 -13.464 -4.074 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.632 -14.355 -5.491 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.404 -12.755 -3.615 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.305 -14.502 -3.719 1.00 0.33 H new ATOM 0 HE21 GLN A 574 4.122 -14.546 -6.680 1.00 2.09 H new ATOM 0 HE22 GLN A 574 5.756 -14.191 -7.251 1.00 2.09 H new ATOM 1164 N TYR A 575 0.274 -11.710 -5.529 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.116 -11.686 -5.945 1.00 0.20 C ATOM 1166 C TYR A 575 -1.338 -10.685 -7.077 1.00 0.20 C ATOM 1167 O TYR A 575 -1.840 -11.048 -8.132 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.019 -11.349 -4.759 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.495 -11.462 -5.064 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.291 -10.330 -5.122 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.088 -12.694 -5.300 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.637 -10.418 -5.407 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.436 -12.792 -5.586 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.208 -11.687 -5.608 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.545 -11.738 -5.926 1.00 0.48 O ATOM 0 H TYR A 575 0.449 -11.316 -4.604 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.372 -12.678 -6.316 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.777 -12.014 -3.930 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.803 -10.334 -4.427 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.849 -9.361 -4.941 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.487 -13.590 -5.259 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.243 -9.527 -5.475 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -5.873 -13.758 -5.793 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.819 -12.672 -6.041 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.937 -9.436 -6.861 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.218 -8.364 -7.819 1.00 0.25 C ATOM 1187 C TYR A 576 -0.293 -8.377 -9.036 1.00 0.30 C ATOM 1188 O TYR A 576 -0.568 -7.697 -10.025 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.204 -7.001 -7.124 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.260 -6.894 -6.043 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.606 -6.926 -6.362 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -1.908 -6.722 -4.710 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.579 -6.790 -5.392 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -2.875 -6.594 -3.729 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.188 -6.771 -4.043 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.172 -6.482 -3.107 1.00 0.35 O ATOM 0 H TYR A 576 -0.418 -9.139 -6.035 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.219 -8.551 -8.207 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.221 -6.829 -6.686 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.365 -6.217 -7.864 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.902 -7.060 -7.392 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -0.864 -6.688 -4.436 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.620 -6.700 -5.665 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.589 -6.354 -2.716 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.783 -6.498 -2.208 1.00 0.35 H new ATOM 1206 N GLN A 577 0.803 -9.125 -8.972 1.00 0.31 N ATOM 1207 CA GLN A 577 1.636 -9.316 -10.158 1.00 0.38 C ATOM 1208 C GLN A 577 0.869 -10.132 -11.190 1.00 0.37 C ATOM 1209 O GLN A 577 0.880 -9.820 -12.382 1.00 0.42 O ATOM 1210 CB GLN A 577 2.956 -10.023 -9.823 1.00 0.45 C ATOM 1211 CG GLN A 577 3.973 -9.147 -9.106 1.00 0.52 C ATOM 1212 CD GLN A 577 4.622 -8.123 -10.012 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.139 -7.001 -10.159 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.735 -8.500 -10.619 1.00 1.57 N ATOM 0 H GLN A 577 1.132 -9.601 -8.132 1.00 0.31 H new ATOM 0 HA GLN A 577 1.878 -8.332 -10.558 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.741 -10.892 -9.202 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.401 -10.393 -10.747 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.482 -8.632 -8.280 1.00 0.52 H new ATOM 0 HG3 GLN A 577 4.746 -9.780 -8.672 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.103 -9.440 -10.471 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.225 -7.851 -11.235 1.00 1.57 H new ATOM 1223 N GLU A 578 0.190 -11.172 -10.717 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.581 -12.038 -11.596 1.00 0.38 C ATOM 1225 C GLU A 578 -2.030 -11.563 -11.721 1.00 0.33 C ATOM 1226 O GLU A 578 -2.620 -11.635 -12.800 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.546 -13.477 -11.080 1.00 0.42 C ATOM 1228 CG GLU A 578 0.859 -14.037 -10.920 1.00 0.52 C ATOM 1229 CD GLU A 578 1.649 -14.025 -12.214 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.562 -13.183 -12.350 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.361 -14.860 -13.100 1.00 1.31 O ATOM 0 H GLU A 578 0.159 -11.434 -9.732 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.127 -11.997 -12.586 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.056 -13.521 -10.118 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.105 -14.113 -11.766 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.393 -13.456 -10.169 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.797 -15.059 -10.547 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.601 -11.083 -10.621 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.959 -10.548 -10.618 1.00 0.28 C ATOM 1240 C LYS A 579 -3.972 -9.155 -9.988 1.00 0.25 C ATOM 1241 O LYS A 579 -4.223 -9.016 -8.789 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.896 -11.453 -9.808 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.980 -12.890 -10.295 1.00 0.42 C ATOM 1244 CD LYS A 579 -5.964 -13.690 -9.452 1.00 0.69 C ATOM 1245 CE LYS A 579 -6.111 -15.118 -9.949 1.00 1.69 C ATOM 1246 NZ LYS A 579 -4.862 -15.903 -9.778 1.00 2.46 N ATOM 0 H LYS A 579 -2.140 -11.054 -9.712 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.302 -10.498 -11.652 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.566 -11.456 -8.769 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.897 -11.021 -9.823 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.291 -12.907 -11.339 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -3.994 -13.353 -10.248 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.628 -13.700 -8.415 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.937 -13.199 -9.467 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -6.922 -15.607 -9.409 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -6.390 -15.107 -11.003 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -5.042 -16.899 -10.019 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -4.124 -15.523 -10.405 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -4.544 -15.838 -8.790 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.696 -8.108 -10.774 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.636 -6.732 -10.260 1.00 0.25 C ATOM 1262 C PRO A 580 -4.994 -6.226 -9.777 1.00 0.22 C ATOM 1263 O PRO A 580 -6.038 -6.746 -10.173 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.165 -5.919 -11.471 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.543 -6.738 -12.655 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.426 -8.171 -12.220 1.00 0.32 C ATOM 0 HA PRO A 580 -2.980 -6.654 -9.393 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.643 -4.940 -11.499 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.089 -5.747 -11.437 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.558 -6.510 -12.979 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.885 -6.531 -13.499 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.144 -8.808 -12.736 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.435 -8.575 -12.427 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.979 -5.203 -8.931 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.218 -4.609 -8.439 1.00 0.22 C ATOM 1276 C ALA A 581 -6.624 -3.456 -9.340 1.00 0.20 C ATOM 1277 O ALA A 581 -5.789 -2.647 -9.721 1.00 0.19 O ATOM 1278 CB ALA A 581 -6.045 -4.119 -7.010 1.00 0.27 C ATOM 0 H ALA A 581 -4.128 -4.769 -8.573 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.000 -5.368 -8.450 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.979 -3.679 -6.661 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.776 -4.958 -6.368 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.256 -3.368 -6.976 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.893 -3.392 -9.697 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.359 -2.387 -10.639 1.00 0.26 C ATOM 1286 C ILE A 582 -9.109 -1.260 -9.933 1.00 0.28 C ATOM 1287 O ILE A 582 -10.116 -1.494 -9.269 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.274 -3.015 -11.713 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.529 -4.129 -12.457 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.762 -1.956 -12.691 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.377 -4.850 -13.483 1.00 0.51 C ATOM 0 H ILE A 582 -8.618 -4.020 -9.352 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.474 -1.970 -11.120 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.143 -3.446 -11.217 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.658 -3.702 -12.954 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.159 -4.853 -11.732 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.405 -2.420 -13.439 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.325 -1.194 -12.151 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.907 -1.494 -13.184 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.782 -5.624 -13.968 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.234 -5.308 -12.990 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.726 -4.138 -14.231 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.605 -0.043 -10.079 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.285 1.143 -9.574 1.00 0.33 C ATOM 1305 C ILE A 583 -9.466 2.145 -10.700 1.00 0.36 C ATOM 1306 O ILE A 583 -8.485 2.644 -11.253 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.510 1.822 -8.422 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.504 0.942 -7.171 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -9.112 3.188 -8.111 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.870 0.758 -6.552 1.00 0.51 C ATOM 0 H ILE A 583 -7.720 0.151 -10.547 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.250 0.818 -9.184 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.477 1.960 -8.742 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -8.096 -0.036 -7.427 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.836 1.382 -6.431 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.556 3.654 -7.298 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -9.057 3.820 -8.997 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -10.154 3.068 -7.815 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.787 0.123 -5.670 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -10.273 1.729 -6.264 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.537 0.289 -7.275 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.720 2.408 -11.059 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.042 3.354 -12.128 1.00 0.47 C ATOM 1324 C ASN A 584 -10.386 2.918 -13.431 1.00 0.45 C ATOM 1325 O ASN A 584 -9.976 3.744 -14.249 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.603 4.781 -11.770 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.410 5.395 -10.638 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -11.891 4.702 -9.742 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.552 6.708 -10.665 1.00 0.91 N ATOM 0 H ASN A 584 -11.535 1.977 -10.623 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.125 3.358 -12.253 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.549 4.770 -11.491 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.692 5.413 -12.654 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.075 7.180 -9.927 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.139 7.250 -11.424 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.286 1.609 -13.608 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.709 1.058 -14.814 1.00 0.44 C ATOM 1338 C GLY A 585 -8.196 0.942 -14.764 1.00 0.39 C ATOM 1339 O GLY A 585 -7.580 0.472 -15.719 1.00 0.42 O ATOM 0 H GLY A 585 -10.598 0.914 -12.930 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.135 0.071 -14.993 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.990 1.685 -15.661 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.588 1.349 -13.656 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.139 1.289 -13.531 1.00 0.32 C ATOM 1345 C GLU A 586 -5.706 0.091 -12.698 1.00 0.24 C ATOM 1346 O GLU A 586 -6.197 -0.119 -11.588 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.587 2.573 -12.908 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.728 3.794 -13.801 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.063 3.608 -15.150 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.869 3.246 -15.182 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -5.726 3.829 -16.186 1.00 1.79 O ATOM 0 H GLU A 586 -8.072 1.721 -12.839 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.733 1.181 -14.537 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.103 2.761 -11.967 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.533 2.427 -12.670 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -6.786 4.012 -13.948 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.291 4.658 -13.301 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.811 -0.705 -13.267 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.207 -1.824 -12.559 1.00 0.19 C ATOM 1360 C LYS A 587 -3.188 -1.327 -11.541 1.00 0.17 C ATOM 1361 O LYS A 587 -2.149 -0.771 -11.906 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.530 -2.776 -13.547 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.462 -3.322 -14.614 1.00 0.33 C ATOM 1364 CD LYS A 587 -3.726 -4.250 -15.565 1.00 1.14 C ATOM 1365 CE LYS A 587 -4.613 -4.696 -16.716 1.00 1.10 C ATOM 1366 NZ LYS A 587 -5.060 -3.550 -17.550 1.00 1.67 N ATOM 0 H LYS A 587 -4.485 -0.594 -14.227 1.00 0.21 H new ATOM 0 HA LYS A 587 -4.997 -2.360 -12.033 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.705 -2.254 -14.032 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.098 -3.610 -12.994 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -5.284 -3.859 -14.142 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.901 -2.496 -15.174 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -2.846 -3.743 -15.960 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -3.372 -5.124 -15.019 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -4.070 -5.407 -17.338 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -5.484 -5.219 -16.321 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -5.409 -3.901 -18.464 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -5.823 -3.041 -17.060 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -4.261 -2.904 -17.710 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.489 -1.534 -10.271 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.629 -1.089 -9.191 1.00 0.15 C ATOM 1382 C LEU A 588 -1.417 -1.996 -9.059 1.00 0.17 C ATOM 1383 O LEU A 588 -1.519 -3.218 -9.202 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.397 -1.085 -7.872 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.733 -0.347 -7.897 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.369 -0.372 -6.523 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.554 1.079 -8.379 1.00 0.16 C ATOM 0 H LEU A 588 -4.334 -2.014 -9.961 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.294 -0.078 -9.423 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.577 -2.117 -7.572 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.767 -0.635 -7.105 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.395 -0.856 -8.597 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -6.321 0.157 -6.553 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.538 -1.405 -6.219 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.706 0.114 -5.807 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.520 1.584 -8.388 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.875 1.607 -7.710 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -4.138 1.073 -9.387 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.279 -1.394 -8.783 1.00 0.17 N ATOM 1400 CA LEU A 589 0.955 -2.136 -8.631 1.00 0.19 C ATOM 1401 C LEU A 589 1.433 -2.085 -7.184 1.00 0.18 C ATOM 1402 O LEU A 589 1.832 -1.028 -6.697 1.00 0.18 O ATOM 1403 CB LEU A 589 2.022 -1.548 -9.554 1.00 0.23 C ATOM 1404 CG LEU A 589 3.328 -2.329 -9.619 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.098 -3.678 -10.275 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.382 -1.539 -10.374 1.00 0.38 C ATOM 0 H LEU A 589 -0.183 -0.386 -8.659 1.00 0.17 H new ATOM 0 HA LEU A 589 0.777 -3.177 -8.900 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.609 -1.477 -10.560 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.241 -0.532 -9.227 1.00 0.23 H new ATOM 0 HG LEU A 589 3.688 -2.494 -8.604 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.038 -4.228 -10.316 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.371 -4.246 -9.694 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.719 -3.531 -11.286 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.309 -2.112 -10.411 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.034 -1.346 -11.389 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.561 -0.592 -9.865 1.00 0.38 H new ATOM 1418 N ILE A 590 1.382 -3.215 -6.494 1.00 0.18 N ATOM 1419 CA ILE A 590 1.898 -3.292 -5.134 1.00 0.18 C ATOM 1420 C ILE A 590 3.202 -4.080 -5.110 1.00 0.20 C ATOM 1421 O ILE A 590 3.233 -5.256 -5.473 1.00 0.26 O ATOM 1422 CB ILE A 590 0.884 -3.941 -4.161 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.456 -3.197 -4.208 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.444 -3.952 -2.744 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.444 -3.626 -3.139 1.00 0.21 C ATOM 0 H ILE A 590 0.991 -4.087 -6.850 1.00 0.18 H new ATOM 0 HA ILE A 590 2.076 -2.270 -4.799 1.00 0.18 H new ATOM 0 HB ILE A 590 0.713 -4.972 -4.472 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.269 -2.128 -4.106 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.909 -3.349 -5.188 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.720 -4.411 -2.070 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.372 -4.523 -2.724 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.641 -2.929 -2.423 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.365 -3.052 -3.243 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.664 -4.688 -3.252 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.014 -3.447 -2.153 1.00 0.21 H new ATOM 1437 N ARG A 591 4.277 -3.423 -4.691 1.00 0.18 N ATOM 1438 CA ARG A 591 5.601 -4.033 -4.645 1.00 0.22 C ATOM 1439 C ARG A 591 6.374 -3.496 -3.448 1.00 0.18 C ATOM 1440 O ARG A 591 5.973 -2.504 -2.840 1.00 0.19 O ATOM 1441 CB ARG A 591 6.378 -3.767 -5.939 1.00 0.33 C ATOM 1442 CG ARG A 591 5.821 -4.505 -7.147 1.00 0.45 C ATOM 1443 CD ARG A 591 6.650 -4.254 -8.393 1.00 0.65 C ATOM 1444 NE ARG A 591 6.082 -4.919 -9.565 1.00 1.33 N ATOM 1445 CZ ARG A 591 6.379 -4.599 -10.822 1.00 1.69 C ATOM 1446 NH1 ARG A 591 7.289 -3.667 -11.077 1.00 1.56 N ATOM 1447 NH2 ARG A 591 5.772 -5.221 -11.824 1.00 2.62 N ATOM 0 H ARG A 591 4.256 -2.454 -4.374 1.00 0.18 H new ATOM 0 HA ARG A 591 5.479 -5.111 -4.543 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.371 -2.696 -6.143 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.419 -4.058 -5.794 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.793 -5.574 -6.938 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.793 -4.188 -7.324 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.713 -3.182 -8.578 1.00 0.65 H new ATOM 0 HD3 ARG A 591 7.667 -4.610 -8.231 1.00 0.65 H new ATOM 0 HE ARG A 591 5.416 -5.676 -9.409 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.763 -3.193 -10.308 1.00 1.56 H new ATOM 0 HH12 ARG A 591 7.514 -3.424 -12.042 1.00 1.56 H new ATOM 0 HH21 ARG A 591 5.079 -5.944 -11.630 1.00 2.62 H new ATOM 0 HH22 ARG A 591 5.999 -4.977 -12.788 1.00 2.62 H new ATOM 1461 N MET A 592 7.476 -4.145 -3.106 1.00 0.17 N ATOM 1462 CA MET A 592 8.251 -3.751 -1.938 1.00 0.18 C ATOM 1463 C MET A 592 9.078 -2.508 -2.237 1.00 0.21 C ATOM 1464 O MET A 592 9.464 -2.270 -3.381 1.00 0.29 O ATOM 1465 CB MET A 592 9.172 -4.881 -1.479 1.00 0.19 C ATOM 1466 CG MET A 592 8.441 -6.060 -0.859 1.00 0.22 C ATOM 1467 SD MET A 592 9.540 -7.106 0.114 1.00 0.29 S ATOM 1468 CE MET A 592 8.398 -8.371 0.668 1.00 0.34 C ATOM 0 H MET A 592 7.853 -4.943 -3.617 1.00 0.17 H new ATOM 0 HA MET A 592 7.547 -3.529 -1.136 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.751 -5.234 -2.333 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.883 -4.485 -0.754 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.635 -5.692 -0.224 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.980 -6.655 -1.647 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.929 -9.096 1.284 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.602 -7.911 1.253 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.967 -8.876 -0.197 1.00 0.34 H new ATOM 1478 N SER A 593 9.345 -1.716 -1.208 1.00 0.23 N ATOM 1479 CA SER A 593 10.118 -0.500 -1.378 1.00 0.26 C ATOM 1480 C SER A 593 11.606 -0.784 -1.263 1.00 0.25 C ATOM 1481 O SER A 593 12.052 -1.514 -0.373 1.00 0.27 O ATOM 1482 CB SER A 593 9.711 0.549 -0.347 1.00 0.34 C ATOM 1483 OG SER A 593 10.450 1.750 -0.513 1.00 1.37 O ATOM 0 H SER A 593 9.038 -1.895 -0.252 1.00 0.23 H new ATOM 0 HA SER A 593 9.911 -0.112 -2.375 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.646 0.759 -0.440 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.872 0.157 0.657 1.00 0.34 H new ATOM 0 HG SER A 593 10.127 2.226 -1.307 1.00 1.37 H new ATOM 1489 N THR A 594 12.354 -0.212 -2.186 1.00 0.27 N ATOM 1490 CA THR A 594 13.798 -0.324 -2.200 1.00 0.30 C ATOM 1491 C THR A 594 14.442 0.819 -1.415 1.00 0.31 C ATOM 1492 O THR A 594 15.615 0.750 -1.043 1.00 0.33 O ATOM 1493 CB THR A 594 14.317 -0.311 -3.649 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.708 0.772 -4.368 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.007 -1.629 -4.349 1.00 0.38 C ATOM 0 H THR A 594 11.975 0.346 -2.951 1.00 0.27 H new ATOM 0 HA THR A 594 14.068 -1.268 -1.726 1.00 0.30 H new ATOM 0 HB THR A 594 15.399 -0.178 -3.628 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.040 0.780 -5.290 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.384 -1.595 -5.371 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.487 -2.448 -3.812 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.929 -1.788 -4.365 1.00 0.38 H new ATOM 1503 N ARG A 595 13.662 1.864 -1.156 1.00 0.32 N ATOM 1504 CA ARG A 595 14.213 3.107 -0.627 1.00 0.37 C ATOM 1505 C ARG A 595 13.956 3.276 0.872 1.00 0.37 C ATOM 1506 O ARG A 595 14.738 3.920 1.569 1.00 0.41 O ATOM 1507 CB ARG A 595 13.644 4.300 -1.401 1.00 0.41 C ATOM 1508 CG ARG A 595 13.913 4.224 -2.897 1.00 0.46 C ATOM 1509 CD ARG A 595 13.371 5.435 -3.639 1.00 0.56 C ATOM 1510 NE ARG A 595 13.507 5.283 -5.088 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.011 6.136 -5.985 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.384 7.235 -5.589 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.152 5.891 -7.280 1.00 2.75 N ATOM 0 H ARG A 595 12.653 1.875 -1.303 1.00 0.32 H new ATOM 0 HA ARG A 595 15.294 3.063 -0.759 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.568 4.354 -1.234 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.075 5.220 -1.007 1.00 0.41 H new ATOM 0 HG2 ARG A 595 14.987 4.146 -3.068 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.459 3.319 -3.301 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.321 5.579 -3.384 1.00 0.56 H new ATOM 0 HD3 ARG A 595 13.903 6.329 -3.315 1.00 0.56 H new ATOM 0 HE ARG A 595 14.015 4.470 -5.435 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.279 7.432 -4.594 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.007 7.884 -6.280 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.640 5.050 -7.590 1.00 2.75 H new ATOM 0 HH22 ARG A 595 12.773 6.543 -7.967 1.00 2.75 H new ATOM 1527 N TYR A 596 12.868 2.697 1.373 1.00 0.35 N ATOM 1528 CA TYR A 596 12.506 2.865 2.780 1.00 0.37 C ATOM 1529 C TYR A 596 12.270 1.527 3.466 1.00 0.35 C ATOM 1530 O TYR A 596 11.763 0.585 2.854 1.00 0.36 O ATOM 1531 CB TYR A 596 11.250 3.734 2.912 1.00 0.39 C ATOM 1532 CG TYR A 596 11.428 5.153 2.421 1.00 0.43 C ATOM 1533 CD1 TYR A 596 10.983 5.536 1.163 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.044 6.109 3.219 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.149 6.832 0.714 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.211 7.405 2.777 1.00 0.61 C ATOM 1537 CZ TYR A 596 11.763 7.762 1.524 1.00 0.56 C ATOM 1538 OH TYR A 596 11.931 9.054 1.076 1.00 0.65 O ATOM 0 H TYR A 596 12.228 2.114 0.834 1.00 0.35 H new ATOM 0 HA TYR A 596 13.345 3.358 3.271 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.438 3.267 2.355 1.00 0.39 H new ATOM 0 HB3 TYR A 596 10.946 3.758 3.958 1.00 0.39 H new ATOM 0 HD1 TYR A 596 10.500 4.810 0.526 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.398 5.833 4.201 1.00 0.54 H new ATOM 0 HE1 TYR A 596 10.799 7.115 -0.268 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.691 8.137 3.410 1.00 0.61 H new ATOM 0 HH TYR A 596 11.520 9.150 0.192 1.00 0.65 H new ATOM 1548 N LYS A 597 12.660 1.444 4.735 1.00 0.38 N ATOM 1549 CA LYS A 597 12.408 0.253 5.538 1.00 0.41 C ATOM 1550 C LYS A 597 11.348 0.509 6.601 1.00 0.41 C ATOM 1551 O LYS A 597 10.878 -0.423 7.242 1.00 0.48 O ATOM 1552 CB LYS A 597 13.682 -0.263 6.213 1.00 0.50 C ATOM 1553 CG LYS A 597 14.681 -0.882 5.253 1.00 0.62 C ATOM 1554 CD LYS A 597 15.487 0.174 4.519 1.00 1.29 C ATOM 1555 CE LYS A 597 16.319 -0.443 3.414 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.312 0.519 2.865 1.00 2.18 N ATOM 0 H LYS A 597 13.152 2.188 5.229 1.00 0.38 H new ATOM 0 HA LYS A 597 12.045 -0.508 4.847 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.162 0.562 6.739 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.408 -1.004 6.964 1.00 0.50 H new ATOM 0 HG2 LYS A 597 15.356 -1.537 5.804 1.00 0.62 H new ATOM 0 HG3 LYS A 597 14.153 -1.504 4.530 1.00 0.62 H new ATOM 0 HD2 LYS A 597 14.814 0.921 4.098 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.139 0.692 5.222 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.838 -1.321 3.798 1.00 1.67 H new ATOM 0 HE3 LYS A 597 15.663 -0.785 2.613 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 17.861 0.059 2.111 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.816 1.346 2.476 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.954 0.826 3.623 1.00 2.18 H new ATOM 1570 N GLU A 598 10.961 1.764 6.795 1.00 0.38 N ATOM 1571 CA GLU A 598 9.977 2.083 7.817 1.00 0.41 C ATOM 1572 C GLU A 598 9.061 3.214 7.354 1.00 0.34 C ATOM 1573 O GLU A 598 9.465 4.074 6.572 1.00 0.33 O ATOM 1574 CB GLU A 598 10.696 2.478 9.112 1.00 0.55 C ATOM 1575 CG GLU A 598 9.764 2.815 10.263 1.00 0.62 C ATOM 1576 CD GLU A 598 10.512 3.226 11.512 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.838 2.345 12.331 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.780 4.434 11.680 1.00 0.91 O ATOM 0 H GLU A 598 11.308 2.565 6.267 1.00 0.38 H new ATOM 0 HA GLU A 598 9.360 1.203 7.999 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.349 1.660 9.416 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.334 3.339 8.912 1.00 0.55 H new ATOM 0 HG2 GLU A 598 9.096 3.622 9.961 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.139 1.950 10.486 1.00 0.62 H new ATOM 1585 N LEU A 599 7.826 3.187 7.831 1.00 0.36 N ATOM 1586 CA LEU A 599 6.872 4.246 7.536 1.00 0.32 C ATOM 1587 C LEU A 599 6.741 5.215 8.698 1.00 0.33 C ATOM 1588 O LEU A 599 6.430 4.821 9.822 1.00 0.37 O ATOM 1589 CB LEU A 599 5.497 3.680 7.177 1.00 0.33 C ATOM 1590 CG LEU A 599 5.453 2.807 5.922 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.017 2.522 5.529 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.178 3.478 4.771 1.00 0.33 C ATOM 0 H LEU A 599 7.460 2.443 8.425 1.00 0.36 H new ATOM 0 HA LEU A 599 7.260 4.787 6.673 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.133 3.093 8.020 1.00 0.33 H new ATOM 0 HB3 LEU A 599 4.804 4.511 7.045 1.00 0.33 H new ATOM 0 HG LEU A 599 5.955 1.866 6.147 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.001 1.900 4.634 1.00 0.45 H new ATOM 0 HD12 LEU A 599 3.514 2.000 6.343 1.00 0.45 H new ATOM 0 HD13 LEU A 599 3.502 3.461 5.327 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.133 2.838 3.890 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.703 4.434 4.550 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.220 3.645 5.045 1.00 0.33 H new ATOM 1604 N GLN A 600 6.993 6.482 8.416 1.00 0.36 N ATOM 1605 CA GLN A 600 6.829 7.540 9.399 1.00 0.44 C ATOM 1606 C GLN A 600 5.533 8.301 9.129 1.00 0.39 C ATOM 1607 O GLN A 600 5.418 9.007 8.126 1.00 0.43 O ATOM 1608 CB GLN A 600 8.027 8.494 9.352 1.00 0.59 C ATOM 1609 CG GLN A 600 7.946 9.640 10.349 1.00 0.85 C ATOM 1610 CD GLN A 600 9.089 10.626 10.193 1.00 1.10 C ATOM 1611 OE1 GLN A 600 10.190 10.262 9.785 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.836 11.883 10.518 1.00 1.34 N ATOM 0 H GLN A 600 7.315 6.805 7.504 1.00 0.36 H new ATOM 0 HA GLN A 600 6.777 7.098 10.394 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.938 7.926 9.540 1.00 0.59 H new ATOM 0 HB3 GLN A 600 8.111 8.906 8.346 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.999 10.163 10.220 1.00 0.85 H new ATOM 0 HG3 GLN A 600 7.953 9.238 11.362 1.00 0.85 H new ATOM 0 HE21 GLN A 600 7.909 12.147 10.853 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.568 12.589 10.434 1.00 1.34 H new ATOM 1621 N LEU A 601 4.559 8.144 10.014 1.00 0.37 N ATOM 1622 CA LEU A 601 3.266 8.791 9.843 1.00 0.34 C ATOM 1623 C LEU A 601 3.330 10.266 10.217 1.00 0.39 C ATOM 1624 O LEU A 601 3.370 10.615 11.399 1.00 0.46 O ATOM 1625 CB LEU A 601 2.187 8.110 10.690 1.00 0.36 C ATOM 1626 CG LEU A 601 1.821 6.674 10.303 1.00 0.34 C ATOM 1627 CD1 LEU A 601 0.582 6.242 11.068 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.584 6.556 8.803 1.00 0.32 C ATOM 0 H LEU A 601 4.639 7.575 10.857 1.00 0.37 H new ATOM 0 HA LEU A 601 3.006 8.700 8.788 1.00 0.34 H new ATOM 0 HB2 LEU A 601 2.518 8.110 11.729 1.00 0.36 H new ATOM 0 HB3 LEU A 601 1.283 8.717 10.644 1.00 0.36 H new ATOM 0 HG LEU A 601 2.653 6.020 10.563 1.00 0.34 H new ATOM 0 HD11 LEU A 601 0.322 5.220 10.792 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.780 6.290 12.139 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.247 6.906 10.823 1.00 0.46 H new ATOM 0 HD21 LEU A 601 1.326 5.526 8.555 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.767 7.215 8.511 1.00 0.32 H new ATOM 0 HD23 LEU A 601 2.490 6.842 8.268 1.00 0.32 H new ATOM 1640 N LYS A 602 3.345 11.128 9.213 1.00 0.41 N ATOM 1641 CA LYS A 602 3.233 12.561 9.447 1.00 0.48 C ATOM 1642 C LYS A 602 1.766 12.934 9.609 1.00 0.46 C ATOM 1643 O LYS A 602 1.429 13.980 10.163 1.00 0.51 O ATOM 1644 CB LYS A 602 3.833 13.367 8.294 1.00 0.59 C ATOM 1645 CG LYS A 602 5.297 13.066 8.012 1.00 0.69 C ATOM 1646 CD LYS A 602 5.967 14.212 7.264 1.00 0.93 C ATOM 1647 CE LYS A 602 5.153 14.655 6.056 1.00 1.49 C ATOM 1648 NZ LYS A 602 5.730 15.862 5.406 1.00 1.73 N ATOM 0 H LYS A 602 3.433 10.863 8.232 1.00 0.41 H new ATOM 0 HA LYS A 602 3.788 12.799 10.354 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.254 13.173 7.391 1.00 0.59 H new ATOM 0 HB3 LYS A 602 3.729 14.429 8.517 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.821 12.887 8.951 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.375 12.151 7.424 1.00 0.69 H new ATOM 0 HD2 LYS A 602 6.102 15.056 7.940 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.960 13.902 6.939 1.00 0.93 H new ATOM 0 HE2 LYS A 602 5.106 13.841 5.332 1.00 1.49 H new ATOM 0 HE3 LYS A 602 4.129 14.865 6.366 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 5.145 16.129 4.589 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 5.751 16.647 6.088 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 6.698 15.655 5.086 1.00 1.73 H new ATOM 1662 N LYS A 603 0.900 12.060 9.115 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.536 12.279 9.163 1.00 0.48 C ATOM 1664 C LYS A 603 -1.198 11.213 10.025 1.00 0.54 C ATOM 1665 O LYS A 603 -0.749 10.067 10.052 1.00 0.62 O ATOM 1666 CB LYS A 603 -1.126 12.252 7.747 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.586 13.340 6.832 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.799 14.723 7.426 1.00 0.79 C ATOM 1669 CE LYS A 603 -0.341 15.818 6.480 1.00 0.90 C ATOM 1670 NZ LYS A 603 -1.184 15.893 5.253 1.00 1.69 N ATOM 0 H LYS A 603 1.173 11.183 8.672 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.726 13.258 9.602 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.923 11.280 7.298 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -2.209 12.352 7.814 1.00 0.58 H new ATOM 0 HG2 LYS A 603 0.478 13.177 6.659 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -1.079 13.279 5.862 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.855 14.861 7.658 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.253 14.803 8.366 1.00 0.79 H new ATOM 0 HE2 LYS A 603 -0.369 16.777 6.997 1.00 0.90 H new ATOM 0 HE3 LYS A 603 0.696 15.639 6.196 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 -0.934 16.745 4.711 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -1.020 15.050 4.667 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -2.187 15.937 5.523 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.261 11.588 10.754 1.00 0.67 N ATOM 1685 CA PRO A 604 -3.009 10.660 11.606 1.00 0.81 C ATOM 1686 C PRO A 604 -3.653 9.532 10.806 1.00 0.80 C ATOM 1687 O PRO A 604 -4.013 9.701 9.640 1.00 1.21 O ATOM 1688 CB PRO A 604 -4.086 11.539 12.255 1.00 1.01 C ATOM 1689 CG PRO A 604 -4.176 12.752 11.392 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.807 12.953 10.812 1.00 0.82 C ATOM 0 HA PRO A 604 -2.360 10.166 12.329 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -5.042 11.018 12.303 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.815 11.803 13.277 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.917 12.616 10.604 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -4.485 13.621 11.973 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.852 13.411 9.824 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -2.197 13.604 11.438 1.00 0.82 H new ATOM 1698 N GLY A 605 -3.805 8.387 11.453 1.00 0.68 N ATOM 1699 CA GLY A 605 -4.339 7.217 10.795 1.00 0.80 C ATOM 1700 C GLY A 605 -5.713 6.863 11.299 1.00 0.84 C ATOM 1701 O GLY A 605 -6.630 6.618 10.519 1.00 1.23 O ATOM 0 H GLY A 605 -3.564 8.248 12.434 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -4.382 7.394 9.720 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -3.667 6.374 10.953 1.00 0.80 H new ATOM 1705 N LYS A 606 -5.837 6.855 12.619 1.00 0.92 N ATOM 1706 CA LYS A 606 -7.078 6.480 13.309 1.00 1.10 C ATOM 1707 C LYS A 606 -7.239 4.964 13.279 1.00 0.81 C ATOM 1708 O LYS A 606 -6.344 4.254 12.816 1.00 0.82 O ATOM 1709 CB LYS A 606 -8.315 7.147 12.687 1.00 1.50 C ATOM 1710 CG LYS A 606 -8.169 8.645 12.461 1.00 1.82 C ATOM 1711 CD LYS A 606 -9.340 9.216 11.669 1.00 2.34 C ATOM 1712 CE LYS A 606 -9.514 8.530 10.314 1.00 2.84 C ATOM 1713 NZ LYS A 606 -8.275 8.565 9.490 1.00 3.47 N ATOM 0 H LYS A 606 -5.078 7.109 13.251 1.00 0.92 H new ATOM 0 HA LYS A 606 -7.003 6.831 14.338 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -8.532 6.666 11.733 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -9.173 6.971 13.335 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -8.099 9.152 13.423 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -7.239 8.843 11.928 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -10.256 9.106 12.249 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -9.186 10.284 11.516 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -9.812 7.493 10.472 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -10.323 9.014 9.767 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -8.528 8.543 8.481 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -7.746 9.436 9.695 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -7.684 7.740 9.716 1.00 3.47 H new ATOM 1727 N ASN A 607 -8.353 4.466 13.793 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.626 3.034 13.780 1.00 0.48 C ATOM 1729 C ASN A 607 -8.722 2.496 12.350 1.00 0.43 C ATOM 1730 O ASN A 607 -9.553 2.945 11.556 1.00 0.60 O ATOM 1731 CB ASN A 607 -9.921 2.745 14.545 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.256 1.269 14.607 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.375 0.414 14.568 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.536 0.960 14.717 1.00 1.33 N ATOM 0 H ASN A 607 -9.084 5.031 14.225 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.796 2.525 14.270 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.832 3.134 15.559 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -10.744 3.279 14.070 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.822 -0.018 14.773 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.238 1.699 14.746 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.864 1.533 12.035 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.846 0.904 10.720 1.00 0.22 C ATOM 1743 C VAL A 608 -8.673 -0.388 10.735 1.00 0.21 C ATOM 1744 O VAL A 608 -9.157 -0.845 9.701 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.388 0.620 10.261 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.347 -0.234 9.003 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.644 1.928 10.024 1.00 0.27 C ATOM 0 H VAL A 608 -7.164 1.167 12.681 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.295 1.593 10.004 1.00 0.22 H new ATOM 0 HB VAL A 608 -5.897 0.063 11.059 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.310 -0.409 8.716 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.837 -1.189 9.195 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.865 0.283 8.195 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.625 1.714 9.703 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -6.155 2.502 9.251 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.620 2.505 10.948 1.00 0.27 H new ATOM 1757 N ALA A 609 -8.856 -0.961 11.924 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.687 -2.158 12.084 1.00 0.33 C ATOM 1759 C ALA A 609 -11.118 -1.909 11.597 1.00 0.32 C ATOM 1760 O ALA A 609 -11.804 -2.821 11.121 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.690 -2.614 13.535 1.00 0.44 C ATOM 0 H ALA A 609 -8.442 -0.618 12.791 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.257 -2.949 11.470 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.312 -3.504 13.636 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.671 -2.846 13.845 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.089 -1.819 14.165 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.555 -0.661 11.693 1.00 0.33 N ATOM 1768 CA ALA A 610 -12.874 -0.277 11.214 1.00 0.35 C ATOM 1769 C ALA A 610 -12.960 -0.463 9.701 1.00 0.30 C ATOM 1770 O ALA A 610 -14.030 -0.727 9.153 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.177 1.162 11.597 1.00 0.40 C ATOM 0 H ALA A 610 -11.014 0.103 12.099 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.619 -0.919 11.683 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.167 1.435 11.232 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.150 1.263 12.682 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.432 1.822 11.152 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.814 -0.347 9.040 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.729 -0.543 7.602 1.00 0.23 C ATOM 1779 C ILE A 611 -11.903 -2.028 7.267 1.00 0.22 C ATOM 1780 O ILE A 611 -12.406 -2.381 6.203 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.385 -0.009 7.042 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.258 1.490 7.334 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.281 -0.259 5.544 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.941 2.091 6.894 1.00 0.23 C ATOM 0 H ILE A 611 -10.925 -0.116 9.484 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.531 0.023 7.129 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.572 -0.543 7.534 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -11.071 2.017 6.836 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.381 1.653 8.405 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.329 0.125 5.176 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.340 -1.330 5.349 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -11.099 0.249 5.033 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.928 3.154 7.135 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.122 1.591 7.412 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.823 1.961 5.818 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.493 -2.901 8.191 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.734 -4.338 8.046 1.00 0.24 C ATOM 1798 C ILE A 612 -13.231 -4.603 7.986 1.00 0.27 C ATOM 1799 O ILE A 612 -13.714 -5.363 7.142 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.152 -5.141 9.235 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.650 -4.900 9.372 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.435 -6.630 9.065 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.045 -5.519 10.613 1.00 0.31 C ATOM 0 H ILE A 612 -10.996 -2.640 9.042 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.242 -4.658 7.128 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.639 -4.795 10.147 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.145 -5.302 8.493 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.463 -3.826 9.384 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.019 -7.178 9.910 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.512 -6.793 9.022 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -10.977 -6.984 8.141 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -7.976 -5.306 10.642 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.523 -5.100 11.499 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.200 -6.598 10.594 1.00 0.31 H new ATOM 1815 N GLN A 613 -13.964 -3.945 8.872 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.419 -4.060 8.895 1.00 0.35 C ATOM 1817 C GLN A 613 -16.014 -3.467 7.622 1.00 0.34 C ATOM 1818 O GLN A 613 -17.044 -3.925 7.123 1.00 0.37 O ATOM 1819 CB GLN A 613 -15.980 -3.351 10.123 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.441 -3.901 11.431 1.00 0.49 C ATOM 1821 CD GLN A 613 -15.925 -3.119 12.631 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -17.017 -2.552 12.618 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.117 -3.081 13.676 1.00 2.31 N ATOM 0 H GLN A 613 -13.578 -3.326 9.585 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.689 -5.115 8.946 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.746 -2.288 10.059 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.066 -3.439 10.120 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.743 -4.943 11.535 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.351 -3.885 11.407 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -14.220 -3.565 13.645 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -15.391 -2.567 14.514 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.332 -2.459 7.095 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.742 -1.810 5.857 1.00 0.33 C ATOM 1834 C ASP A 614 -15.624 -2.791 4.695 1.00 0.30 C ATOM 1835 O ASP A 614 -16.535 -2.909 3.872 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.885 -0.571 5.588 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.430 0.272 4.455 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -16.271 1.153 4.709 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -15.006 0.057 3.298 1.00 1.09 O ATOM 0 H ASP A 614 -14.485 -2.070 7.510 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.781 -1.495 5.956 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.831 0.033 6.493 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -13.867 -0.881 5.350 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.509 -3.518 4.663 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.279 -4.547 3.652 1.00 0.27 C ATOM 1846 C ILE A 615 -15.366 -5.613 3.719 1.00 0.32 C ATOM 1847 O ILE A 615 -15.919 -6.011 2.699 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.909 -5.232 3.841 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.780 -4.216 3.720 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.722 -6.347 2.821 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.423 -4.790 4.035 1.00 0.18 C ATOM 0 H ILE A 615 -13.746 -3.412 5.331 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.298 -4.051 2.682 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.882 -5.666 4.841 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.770 -3.814 2.707 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -11.978 -3.381 4.392 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.750 -6.818 2.971 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.509 -7.091 2.947 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.773 -5.932 1.815 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.666 -4.013 3.929 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.416 -5.167 5.058 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.204 -5.606 3.346 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.672 -6.066 4.931 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.692 -7.097 5.130 1.00 0.46 C ATOM 1865 C HIS A 616 -18.072 -6.609 4.706 1.00 0.44 C ATOM 1866 O HIS A 616 -18.925 -7.401 4.312 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.727 -7.565 6.587 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.645 -8.542 6.938 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -15.884 -9.887 7.123 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.318 -8.367 7.145 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.754 -10.496 7.428 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.790 -9.598 7.449 1.00 0.82 N ATOM 0 H HIS A 616 -15.231 -5.738 5.790 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.420 -7.942 4.498 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.644 -6.696 7.240 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.696 -8.023 6.788 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.777 -7.435 7.083 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.639 -11.551 7.627 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.810 -9.787 7.657 1.00 0.82 H new ATOM 1881 N SER A 617 -18.289 -5.307 4.785 1.00 0.45 N ATOM 1882 CA SER A 617 -19.551 -4.724 4.372 1.00 0.51 C ATOM 1883 C SER A 617 -19.667 -4.715 2.848 1.00 0.49 C ATOM 1884 O SER A 617 -20.750 -4.915 2.294 1.00 0.57 O ATOM 1885 CB SER A 617 -19.682 -3.310 4.934 1.00 0.58 C ATOM 1886 OG SER A 617 -19.582 -3.318 6.350 1.00 1.18 O ATOM 0 H SER A 617 -17.606 -4.634 5.132 1.00 0.45 H new ATOM 0 HA SER A 617 -20.365 -5.332 4.767 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.903 -2.673 4.514 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.639 -2.882 4.635 1.00 0.58 H new ATOM 0 HG SER A 617 -18.646 -3.445 6.611 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.541 -4.496 2.176 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.510 -4.472 0.718 1.00 0.58 C ATOM 1894 C GLN A 618 -18.386 -5.882 0.150 1.00 1.36 C ATOM 1895 O GLN A 618 -18.933 -6.176 -0.913 1.00 2.14 O ATOM 1896 CB GLN A 618 -17.333 -3.637 0.219 1.00 1.70 C ATOM 1897 CG GLN A 618 -17.358 -2.184 0.656 1.00 2.78 C ATOM 1898 CD GLN A 618 -16.227 -1.387 0.037 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -15.130 -1.310 0.586 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -16.489 -0.780 -1.110 1.00 4.68 N ATOM 0 H GLN A 618 -17.637 -4.332 2.619 1.00 0.49 H new ATOM 0 HA GLN A 618 -19.446 -4.028 0.380 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -16.407 -4.092 0.570 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -17.314 -3.675 -0.870 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -18.312 -1.737 0.376 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -17.287 -2.131 1.742 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -17.412 -0.868 -1.534 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -15.767 -0.224 -1.569 1.00 4.68 H new ATOM 1909 N ARG A 619 -17.667 -6.742 0.868 1.00 2.22 N ATOM 1910 CA ARG A 619 -17.376 -8.098 0.411 1.00 3.46 C ATOM 1911 C ARG A 619 -16.542 -8.043 -0.865 1.00 4.18 C ATOM 1912 O ARG A 619 -16.973 -8.481 -1.933 1.00 4.57 O ATOM 1913 CB ARG A 619 -18.670 -8.893 0.191 1.00 4.18 C ATOM 1914 CG ARG A 619 -19.453 -9.126 1.472 1.00 4.41 C ATOM 1915 CD ARG A 619 -20.821 -9.727 1.197 1.00 5.33 C ATOM 1916 NE ARG A 619 -21.547 -10.016 2.434 1.00 6.03 N ATOM 1917 CZ ARG A 619 -22.735 -9.497 2.754 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -23.354 -8.666 1.922 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -23.303 -9.813 3.910 1.00 7.77 N ATOM 0 H ARG A 619 -17.271 -6.519 1.781 1.00 2.22 H new ATOM 0 HA ARG A 619 -16.803 -8.614 1.182 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -19.300 -8.360 -0.521 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -18.426 -9.856 -0.258 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -18.889 -9.791 2.127 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -19.571 -8.181 2.002 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -21.404 -9.038 0.586 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -20.705 -10.645 0.621 1.00 5.33 H new ATOM 0 HE ARG A 619 -21.116 -10.659 3.098 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -22.922 -8.420 1.031 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -24.261 -8.274 2.174 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -22.832 -10.451 4.552 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -24.210 -9.418 4.157 1.00 7.77 H new ATOM 1933 N GLU A 620 -15.339 -7.492 -0.738 1.00 4.80 N ATOM 1934 CA GLU A 620 -14.471 -7.251 -1.884 1.00 5.84 C ATOM 1935 C GLU A 620 -13.587 -8.458 -2.184 1.00 6.68 C ATOM 1936 O GLU A 620 -12.370 -8.399 -2.002 1.00 7.20 O ATOM 1937 CB GLU A 620 -13.599 -6.018 -1.635 1.00 6.43 C ATOM 1938 CG GLU A 620 -14.387 -4.727 -1.495 1.00 6.93 C ATOM 1939 CD GLU A 620 -15.145 -4.370 -2.755 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -16.348 -4.694 -2.843 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -14.550 -3.760 -3.664 1.00 7.86 O ATOM 0 H GLU A 620 -14.941 -7.202 0.155 1.00 4.80 H new ATOM 0 HA GLU A 620 -15.109 -7.077 -2.751 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -13.014 -6.175 -0.729 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -12.891 -5.913 -2.457 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -15.090 -4.822 -0.667 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -13.705 -3.915 -1.243 1.00 6.93 H new ATOM 1948 N ARG A 621 -14.215 -9.542 -2.634 1.00 7.11 N ATOM 1949 CA ARG A 621 -13.507 -10.745 -3.078 1.00 8.13 C ATOM 1950 C ARG A 621 -12.760 -11.416 -1.925 1.00 9.01 C ATOM 1951 O ARG A 621 -11.610 -11.022 -1.632 1.00 9.48 O ATOM 1952 CB ARG A 621 -12.543 -10.403 -4.219 1.00 8.49 C ATOM 1953 CG ARG A 621 -11.976 -11.617 -4.936 1.00 8.97 C ATOM 1954 CD ARG A 621 -11.044 -11.193 -6.057 1.00 9.41 C ATOM 1955 NE ARG A 621 -10.631 -12.315 -6.897 1.00 9.86 N ATOM 1956 CZ ARG A 621 -9.921 -12.175 -8.013 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -9.524 -10.968 -8.399 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -9.599 -13.239 -8.739 1.00 11.00 N ATOM 1959 OXT ARG A 621 -13.327 -12.345 -1.316 1.00 9.43 O ATOM 0 H ARG A 621 -15.230 -9.613 -2.702 1.00 7.11 H new ATOM 0 HA ARG A 621 -14.250 -11.454 -3.444 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -13.062 -9.776 -4.944 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -11.719 -9.812 -3.819 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -11.437 -12.245 -4.227 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -12.790 -12.219 -5.341 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -11.541 -10.445 -6.675 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -10.160 -10.718 -5.630 1.00 9.41 H new ATOM 0 HE ARG A 621 -10.902 -13.256 -6.612 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -9.764 -10.149 -7.840 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -8.979 -10.860 -9.255 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -9.896 -14.168 -8.442 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -9.054 -13.127 -9.594 1.00 11.00 H new TER 1973 ARG A 621