USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 972 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 603 LYS NZ :NH3+ 173:sc= 0.946 (180deg=-0.253) USER MOD Set 1.2: B 5 U O2' : rot 24:sc= 1.01 USER MOD Set 2.1: A 602 LYS NZ :NH3+ -170:sc= 1.22 (180deg=0) USER MOD Set 2.2: B 4 U O2' : rot 21:sc= 1.08 USER MOD Set 3.1: A 531 SER OG : rot 110:sc= 0.645 USER MOD Set 3.2: A 584 ASN : amide:sc= 0.0212 K(o=0.67,f=-0.93!) USER MOD Set 4.1: A 553 MET CE :methyl -138:sc= -1.17 (180deg=-3.35!) USER MOD Set 4.2: A 556 THR OG1 : rot -170:sc= -0.175 USER MOD Set 5.1: A 535 ASN : amide:sc= 0.672 K(o=-3.6,f=-8.2) USER MOD Set 5.2: A 539 ASN : amide:sc= -4.32! C(o=-3.6!,f=-3.5!) USER MOD Set 6.1: A 523 HIS : no HD1:sc= -1.98 K(o=-1.6,f=-5.4!) USER MOD Set 6.2: A 558 GLN : amide:sc= 0.352 K(o=-1.6,f=-2.3!) USER MOD Set 6.3: B 2 U O2' : rot -37:sc= -0.0202 USER MOD Single : A 512 MET CE :methyl 161:sc= -0.0626 (180deg=-0.483) USER MOD Single : A 514 GLN : amide:sc= -3.29! X(o=-3.3!,f=-3.1) USER MOD Single : A 516 LYS NZ :NH3+ -158:sc= 1.21 (180deg=1.05) USER MOD Single : A 525 CYS SG : rot -25:sc= -0.684 USER MOD Single : A 526 ASN : amide:sc= 0.908 K(o=0.91,f=-1.4) USER MOD Single : A 532 CYS SG : rot 16:sc= -1.04 USER MOD Single : A 533 THR OG1 : rot 152:sc= 0.84 USER MOD Single : A 546 LYS NZ :NH3+ -129:sc= -0.301 (180deg=-1.54) USER MOD Single : A 548 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 549 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.001) USER MOD Single : A 550 TYR OH : rot 151:sc= -0.792 USER MOD Single : A 554 LYS NZ :NH3+ -171:sc= 0.603 (180deg=0.379) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0.103 K(o=0.1,f=-1.6) USER MOD Single : A 563 MET CE :methyl -177:sc= -4.93 (180deg=-5.27!) USER MOD Single : A 565 TYR OH : rot 180:sc= 0 USER MOD Single : A 566 THR OG1 : rot 180:sc= 0 USER MOD Single : A 570 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.79) USER MOD Single : A 572 MET CE :methyl 160:sc= -5.53! (180deg=-6.99!) USER MOD Single : A 574 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.15) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 168:sc= -2.08! USER MOD Single : A 577 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 579 LYS NZ :NH3+ 167:sc= -0.0239 (180deg=-0.192) USER MOD Single : A 587 LYS NZ :NH3+ -171:sc=-0.00519 (180deg=-0.126) USER MOD Single : A 592 MET CE :methyl 162:sc= 0 (180deg=-0.0895) USER MOD Single : A 593 SER OG : rot 89:sc= 1.37 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 166:sc= 0.275 (180deg=0.198) USER MOD Single : A 600 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.8) USER MOD Single : A 613 GLN : amide:sc= -0.205 K(o=-0.21,f=-1) USER MOD Single : A 616 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=-0.0061) USER MOD Single : A 617 SER OG : rot 56:sc= 1.21 USER MOD Single : A 618 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ADN O2' : rot 42:sc= 0.18 USER MOD Single : B 1 ADN O5' : rot -135:sc= -2.63! USER MOD Single : B 3 C O2' : rot 180:sc= -0.311 USER MOD Single : B 6 A O2' : rot 180:sc= 0 USER MOD Single : B 6 A O3' : rot 130:sc= 0.181 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 8.381 -2.093 -8.756 1.00 3.64 O HETATM 2 C5' ADN B 1 7.784 -0.921 -9.316 1.00 3.04 C HETATM 3 C4' ADN B 1 8.727 0.260 -9.271 1.00 2.61 C HETATM 4 O4' ADN B 1 9.801 -0.035 -8.337 1.00 3.25 O HETATM 5 C3' ADN B 1 9.414 0.600 -10.590 1.00 2.05 C HETATM 6 O3' ADN B 1 9.615 2.004 -10.716 1.00 2.33 O HETATM 7 C2' ADN B 1 10.736 -0.156 -10.505 1.00 2.68 C HETATM 8 O2' ADN B 1 11.762 0.480 -11.239 1.00 3.28 O HETATM 9 C1' ADN B 1 11.042 -0.043 -9.014 1.00 3.33 C HETATM 10 N9 ADN B 1 11.847 -1.150 -8.505 1.00 4.21 N HETATM 11 C8 ADN B 1 11.410 -2.388 -8.124 1.00 4.58 C HETATM 12 N7 ADN B 1 12.367 -3.193 -7.730 1.00 5.53 N HETATM 13 C5 ADN B 1 13.517 -2.424 -7.861 1.00 5.90 C HETATM 14 C6 ADN B 1 14.871 -2.698 -7.604 1.00 7.05 C HETATM 15 N6 ADN B 1 15.314 -3.869 -7.143 1.00 7.92 N HETATM 16 N1 ADN B 1 15.766 -1.714 -7.839 1.00 7.44 N HETATM 17 C2 ADN B 1 15.320 -0.538 -8.302 1.00 6.72 C HETATM 18 N3 ADN B 1 14.074 -0.162 -8.582 1.00 5.56 N HETATM 19 C4 ADN B 1 13.211 -1.162 -8.338 1.00 5.16 C HETATM 0 HO5' ADN B 1 8.202 -2.861 -9.338 1.00 3.64 H new HETATM 0 HO2' ADN B 1 11.710 1.449 -11.101 1.00 3.28 H new HETATM 0 HN62 ADN B 1 16.311 -4.007 -6.976 1.00 7.92 H new HETATM 0 HN61 ADN B 1 14.656 -4.626 -6.958 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 7.495 -1.117 -10.348 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 6.872 -0.680 -8.770 1.00 3.04 H new HETATM 0 H8 ADN B 1 10.360 -2.680 -8.146 1.00 4.58 H new HETATM 0 H4' ADN B 1 8.099 1.106 -8.991 1.00 2.61 H new HETATM 0 H3' ADN B 1 8.828 0.319 -11.465 1.00 2.05 H new HETATM 0 H2' ADN B 1 10.676 -1.169 -10.904 1.00 2.68 H new HETATM 0 H2 ADN B 1 16.086 0.218 -8.474 1.00 6.72 H new HETATM 0 H1' ADN B 1 11.621 0.865 -8.850 1.00 3.33 H new ATOM 32 P U B 2 9.752 2.673 -12.173 1.00 2.37 P ATOM 33 OP1 U B 2 8.874 1.930 -13.113 1.00 2.99 O ATOM 34 OP2 U B 2 11.202 2.804 -12.466 1.00 2.93 O ATOM 35 O5' U B 2 9.147 4.132 -11.977 1.00 2.04 O ATOM 36 C5' U B 2 9.806 5.098 -11.161 1.00 1.73 C ATOM 37 C4' U B 2 8.815 5.781 -10.247 1.00 1.24 C ATOM 38 O4' U B 2 7.465 5.441 -10.667 1.00 1.07 O ATOM 39 C3' U B 2 8.893 5.368 -8.781 1.00 0.95 C ATOM 40 O3' U B 2 8.524 6.438 -7.917 1.00 0.97 O ATOM 41 C2' U B 2 7.891 4.223 -8.693 1.00 0.83 C ATOM 42 O2' U B 2 7.367 4.091 -7.388 1.00 1.12 O ATOM 43 C1' U B 2 6.802 4.743 -9.630 1.00 0.74 C ATOM 44 N1 U B 2 5.964 3.698 -10.234 1.00 0.76 N ATOM 45 C2 U B 2 4.596 3.901 -10.250 1.00 1.11 C ATOM 46 O2 U B 2 4.069 4.889 -9.768 1.00 1.49 O ATOM 47 N3 U B 2 3.866 2.901 -10.841 1.00 1.23 N ATOM 48 C4 U B 2 4.351 1.742 -11.407 1.00 1.12 C ATOM 49 O4 U B 2 3.563 0.932 -11.898 1.00 1.35 O ATOM 50 C5 U B 2 5.773 1.607 -11.350 1.00 1.05 C ATOM 51 C6 U B 2 6.516 2.562 -10.781 1.00 0.89 C ATOM 0 H5' U B 2 10.300 5.838 -11.790 1.00 1.73 H new ATOM 0 H5'' U B 2 10.583 4.614 -10.569 1.00 1.73 H new ATOM 0 H4' U B 2 9.060 6.840 -10.322 1.00 1.24 H new ATOM 0 H3' U B 2 9.900 5.086 -8.472 1.00 0.95 H new ATOM 0 H2' U B 2 8.308 3.247 -8.940 1.00 0.83 H new ATOM 0 HO2' U B 2 8.072 4.273 -6.732 1.00 1.12 H new ATOM 0 H1' U B 2 6.125 5.362 -9.042 1.00 0.74 H new ATOM 0 H3 U B 2 2.854 3.029 -10.864 1.00 1.23 H new ATOM 0 H5 U B 2 6.248 0.732 -11.767 1.00 1.05 H new ATOM 0 H6 U B 2 7.588 2.437 -10.749 1.00 0.89 H new ATOM 62 P C B 3 9.503 7.698 -7.720 1.00 1.05 P ATOM 63 OP1 C B 3 8.948 8.817 -8.523 1.00 1.58 O ATOM 64 OP2 C B 3 10.900 7.247 -7.946 1.00 1.17 O ATOM 65 O5' C B 3 9.344 8.065 -6.178 1.00 1.07 O ATOM 66 C5' C B 3 8.097 8.518 -5.654 1.00 0.98 C ATOM 67 C4' C B 3 7.767 7.778 -4.380 1.00 0.86 C ATOM 68 O4' C B 3 7.844 6.346 -4.633 1.00 0.90 O ATOM 69 C3' C B 3 8.709 8.046 -3.211 1.00 0.69 C ATOM 70 O3' C B 3 7.989 8.112 -1.983 1.00 0.87 O ATOM 71 C2' C B 3 9.670 6.860 -3.244 1.00 0.63 C ATOM 72 O2' C B 3 10.171 6.537 -1.963 1.00 0.82 O ATOM 73 C1' C B 3 8.730 5.752 -3.709 1.00 0.75 C ATOM 74 N1 C B 3 9.419 4.624 -4.360 1.00 0.69 N ATOM 75 C2 C B 3 9.355 3.358 -3.768 1.00 0.96 C ATOM 76 O2 C B 3 8.713 3.216 -2.714 1.00 1.32 O ATOM 77 N3 C B 3 9.996 2.321 -4.355 1.00 0.95 N ATOM 78 C4 C B 3 10.681 2.512 -5.484 1.00 0.70 C ATOM 79 N4 C B 3 11.308 1.463 -6.020 1.00 0.76 N ATOM 80 C5 C B 3 10.761 3.790 -6.109 1.00 0.69 C ATOM 81 C6 C B 3 10.122 4.807 -5.518 1.00 0.67 C ATOM 0 H5' C B 3 7.307 8.362 -6.389 1.00 0.98 H new ATOM 0 H5'' C B 3 8.144 9.589 -5.459 1.00 0.98 H new ATOM 0 H4' C B 3 6.775 8.132 -4.100 1.00 0.86 H new ATOM 0 H3' C B 3 9.229 9.001 -3.289 1.00 0.69 H new ATOM 0 H2' C B 3 10.551 7.036 -3.861 1.00 0.63 H new ATOM 0 HO2' C B 3 10.780 5.772 -2.033 1.00 0.82 H new ATOM 0 H1' C B 3 8.228 5.332 -2.837 1.00 0.75 H new ATOM 0 H41 C B 3 11.841 1.574 -6.883 1.00 0.76 H new ATOM 0 H42 C B 3 11.254 0.551 -5.567 1.00 0.76 H new ATOM 0 H5 C B 3 11.316 3.933 -7.024 1.00 0.69 H new ATOM 0 H6 C B 3 10.163 5.790 -5.964 1.00 0.67 H new ATOM 93 P U B 4 8.630 8.843 -0.703 1.00 0.75 P ATOM 94 OP1 U B 4 9.563 9.889 -1.198 1.00 1.02 O ATOM 95 OP2 U B 4 9.128 7.796 0.224 1.00 1.15 O ATOM 96 O5' U B 4 7.392 9.566 -0.007 1.00 0.71 O ATOM 97 C5' U B 4 7.073 10.929 -0.282 1.00 0.76 C ATOM 98 C4' U B 4 5.969 11.401 0.637 1.00 0.65 C ATOM 99 O4' U B 4 5.669 10.343 1.591 1.00 0.61 O ATOM 100 C3' U B 4 6.311 12.616 1.493 1.00 0.67 C ATOM 101 O3' U B 4 5.146 13.374 1.798 1.00 0.79 O ATOM 102 C2' U B 4 6.893 11.985 2.751 1.00 0.63 C ATOM 103 O2' U B 4 6.764 12.832 3.875 1.00 0.77 O ATOM 104 C1' U B 4 5.958 10.787 2.900 1.00 0.58 C ATOM 105 N1 U B 4 6.536 9.675 3.667 1.00 0.58 N ATOM 106 C2 U B 4 6.276 9.630 5.023 1.00 0.66 C ATOM 107 O2 U B 4 5.575 10.449 5.593 1.00 0.71 O ATOM 108 N3 U B 4 6.856 8.582 5.691 1.00 0.75 N ATOM 109 C4 U B 4 7.650 7.594 5.155 1.00 0.79 C ATOM 110 O4 U B 4 8.099 6.715 5.890 1.00 0.93 O ATOM 111 C5 U B 4 7.869 7.709 3.745 1.00 0.72 C ATOM 112 C6 U B 4 7.322 8.719 3.063 1.00 0.62 C ATOM 0 H5' U B 4 6.762 11.035 -1.321 1.00 0.76 H new ATOM 0 H5'' U B 4 7.958 11.551 -0.149 1.00 0.76 H new ATOM 0 H4' U B 4 5.149 11.666 -0.030 1.00 0.65 H new ATOM 0 H3' U B 4 6.990 13.313 1.001 1.00 0.67 H new ATOM 0 H2' U B 4 7.958 11.760 2.685 1.00 0.63 H new ATOM 0 HO2' U B 4 6.053 13.487 3.711 1.00 0.77 H new ATOM 0 H1' U B 4 5.074 11.103 3.454 1.00 0.58 H new ATOM 0 H3 U B 4 6.680 8.529 6.694 1.00 0.75 H new ATOM 0 H5 U B 4 8.477 6.978 3.232 1.00 0.72 H new ATOM 0 H6 U B 4 7.503 8.788 2.000 1.00 0.62 H new ATOM 123 P U B 5 4.624 14.512 0.790 1.00 0.85 P ATOM 124 OP1 U B 5 5.139 14.188 -0.567 1.00 1.03 O ATOM 125 OP2 U B 5 4.931 15.835 1.391 1.00 1.33 O ATOM 126 O5' U B 5 3.042 14.321 0.782 1.00 0.85 O ATOM 127 C5' U B 5 2.378 13.732 -0.334 1.00 0.75 C ATOM 128 C4' U B 5 1.006 13.248 0.071 1.00 0.55 C ATOM 129 O4' U B 5 1.158 12.167 1.035 1.00 0.43 O ATOM 130 C3' U B 5 0.121 14.287 0.754 1.00 0.55 C ATOM 131 O3' U B 5 -1.239 14.137 0.360 1.00 0.57 O ATOM 132 C2' U B 5 0.309 13.988 2.238 1.00 0.48 C ATOM 133 O2' U B 5 -0.812 14.368 3.012 1.00 0.53 O ATOM 134 C1' U B 5 0.404 12.468 2.191 1.00 0.37 C ATOM 135 N1 U B 5 1.058 11.873 3.366 1.00 0.37 N ATOM 136 C2 U B 5 0.315 10.991 4.132 1.00 0.37 C ATOM 137 O2 U B 5 -0.831 10.679 3.859 1.00 0.40 O ATOM 138 N3 U B 5 0.967 10.484 5.228 1.00 0.43 N ATOM 139 C4 U B 5 2.256 10.760 5.626 1.00 0.48 C ATOM 140 O4 U B 5 2.703 10.223 6.641 1.00 0.56 O ATOM 141 C5 U B 5 2.957 11.678 4.783 1.00 0.49 C ATOM 142 C6 U B 5 2.353 12.193 3.706 1.00 0.44 C ATOM 0 H5' U B 5 2.967 12.899 -0.718 1.00 0.75 H new ATOM 0 H5'' U B 5 2.291 14.460 -1.141 1.00 0.75 H new ATOM 0 H4' U B 5 0.525 12.960 -0.864 1.00 0.55 H new ATOM 0 H3' U B 5 0.384 15.312 0.494 1.00 0.55 H new ATOM 0 H2' U B 5 1.151 14.514 2.688 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.609 14.397 2.442 1.00 0.53 H new ATOM 0 H1' U B 5 -0.603 12.051 2.178 1.00 0.37 H new ATOM 0 H3 U B 5 0.440 9.833 5.810 1.00 0.43 H new ATOM 0 H5 U B 5 3.974 11.956 5.016 1.00 0.49 H new ATOM 0 H6 U B 5 2.900 12.884 3.082 1.00 0.44 H new ATOM 153 P A B 6 -2.051 15.390 -0.237 1.00 0.96 P ATOM 154 OP1 A B 6 -1.520 16.634 0.376 1.00 1.91 O ATOM 155 OP2 A B 6 -3.494 15.069 -0.117 1.00 1.79 O ATOM 156 O5' A B 6 -1.669 15.388 -1.784 1.00 1.70 O ATOM 157 C5' A B 6 -2.560 15.911 -2.770 1.00 2.27 C ATOM 158 C4' A B 6 -2.627 17.419 -2.681 1.00 2.74 C ATOM 159 O4' A B 6 -1.398 17.907 -2.078 1.00 2.62 O ATOM 160 C3' A B 6 -2.738 18.147 -4.016 1.00 3.36 C ATOM 161 O3' A B 6 -3.503 19.345 -3.898 1.00 4.05 O ATOM 162 C2' A B 6 -1.288 18.446 -4.378 1.00 3.45 C ATOM 163 O2' A B 6 -1.173 19.612 -5.171 1.00 4.23 O ATOM 164 C1' A B 6 -0.692 18.715 -2.998 1.00 3.13 C ATOM 165 N9 A B 6 0.730 18.386 -2.902 1.00 3.07 N ATOM 166 C8 A B 6 1.659 18.367 -3.912 1.00 3.68 C ATOM 167 N7 A B 6 2.861 18.022 -3.518 1.00 3.79 N ATOM 168 C5 A B 6 2.714 17.801 -2.157 1.00 3.15 C ATOM 169 C6 A B 6 3.622 17.411 -1.160 1.00 3.12 C ATOM 170 N6 A B 6 4.914 17.166 -1.392 1.00 3.76 N ATOM 171 N1 A B 6 3.155 17.280 0.100 1.00 2.64 N ATOM 172 C2 A B 6 1.860 17.526 0.332 1.00 2.25 C ATOM 173 N3 A B 6 0.910 17.900 -0.521 1.00 2.28 N ATOM 174 C4 A B 6 1.407 18.021 -1.763 1.00 2.69 C ATOM 0 H5' A B 6 -3.555 15.489 -2.629 1.00 2.27 H new ATOM 0 H5'' A B 6 -2.225 15.615 -3.764 1.00 2.27 H new ATOM 0 H4' A B 6 -3.531 17.622 -2.106 1.00 2.74 H new ATOM 0 H3' A B 6 -3.252 17.558 -4.776 1.00 3.36 H new ATOM 0 H2' A B 6 -0.813 17.651 -4.952 1.00 3.45 H new ATOM 0 HO2' A B 6 -0.229 19.773 -5.382 1.00 4.23 H new ATOM 0 HO3' A B 6 -3.012 20.088 -4.306 1.00 4.05 H new ATOM 0 H1' A B 6 -0.782 19.782 -2.793 1.00 3.13 H new ATOM 0 H8 A B 6 1.422 18.613 -4.936 1.00 3.68 H new ATOM 0 H61 A B 6 5.526 16.885 -0.625 1.00 3.76 H new ATOM 0 H62 A B 6 5.289 17.259 -2.336 1.00 3.76 H new ATOM 0 H2 A B 6 1.541 17.404 1.357 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 17.899 -15.105 6.097 1.00 8.88 N ATOM 189 CA GLY A 510 16.847 -14.065 6.176 1.00 8.14 C ATOM 190 C GLY A 510 17.421 -12.668 6.085 1.00 7.17 C ATOM 191 O GLY A 510 18.629 -12.483 6.240 1.00 7.17 O ATOM 0 HA2 GLY A 510 16.128 -14.215 5.370 1.00 8.14 H new ATOM 0 HA3 GLY A 510 16.301 -14.172 7.114 1.00 8.14 H new ATOM 197 N ALA A 511 16.553 -11.690 5.812 1.00 6.63 N ATOM 198 CA ALA A 511 16.944 -10.280 5.726 1.00 5.95 C ATOM 199 C ALA A 511 17.943 -10.032 4.593 1.00 5.06 C ATOM 200 O ALA A 511 18.602 -8.992 4.546 1.00 5.04 O ATOM 201 CB ALA A 511 17.507 -9.796 7.056 1.00 6.64 C ATOM 0 H ALA A 511 15.560 -11.853 5.644 1.00 6.63 H new ATOM 0 HA ALA A 511 16.046 -9.707 5.498 1.00 5.95 H new ATOM 0 HB1 ALA A 511 17.791 -8.747 6.971 1.00 6.64 H new ATOM 0 HB2 ALA A 511 16.750 -9.905 7.833 1.00 6.64 H new ATOM 0 HB3 ALA A 511 18.383 -10.389 7.318 1.00 6.64 H new ATOM 207 N MET A 512 18.041 -10.988 3.677 1.00 4.71 N ATOM 208 CA MET A 512 18.934 -10.872 2.534 1.00 4.26 C ATOM 209 C MET A 512 18.292 -10.001 1.467 1.00 3.49 C ATOM 210 O MET A 512 18.923 -9.106 0.909 1.00 3.57 O ATOM 211 CB MET A 512 19.251 -12.254 1.954 1.00 4.93 C ATOM 212 CG MET A 512 20.177 -12.213 0.748 1.00 5.06 C ATOM 213 SD MET A 512 20.470 -13.845 0.032 1.00 5.85 S ATOM 214 CE MET A 512 18.839 -14.229 -0.606 1.00 6.33 C ATOM 0 H MET A 512 17.508 -11.857 3.706 1.00 4.71 H new ATOM 0 HA MET A 512 19.865 -10.413 2.866 1.00 4.26 H new ATOM 0 HB2 MET A 512 19.707 -12.868 2.730 1.00 4.93 H new ATOM 0 HB3 MET A 512 18.319 -12.741 1.669 1.00 4.93 H new ATOM 0 HG2 MET A 512 19.747 -11.560 -0.012 1.00 5.06 H new ATOM 0 HG3 MET A 512 21.130 -11.775 1.043 1.00 5.06 H new ATOM 0 HE1 MET A 512 18.917 -15.018 -1.353 1.00 6.33 H new ATOM 0 HE2 MET A 512 18.199 -14.564 0.210 1.00 6.33 H new ATOM 0 HE3 MET A 512 18.408 -13.338 -1.063 1.00 6.33 H new ATOM 224 N ALA A 513 17.029 -10.269 1.193 1.00 3.37 N ATOM 225 CA ALA A 513 16.278 -9.491 0.225 1.00 3.26 C ATOM 226 C ALA A 513 15.642 -8.289 0.909 1.00 2.63 C ATOM 227 O ALA A 513 14.432 -8.262 1.139 1.00 3.17 O ATOM 228 CB ALA A 513 15.225 -10.355 -0.451 1.00 4.20 C ATOM 0 H ALA A 513 16.499 -11.023 1.630 1.00 3.37 H new ATOM 0 HA ALA A 513 16.958 -9.130 -0.546 1.00 3.26 H new ATOM 0 HB1 ALA A 513 14.671 -9.755 -1.174 1.00 4.20 H new ATOM 0 HB2 ALA A 513 15.710 -11.185 -0.964 1.00 4.20 H new ATOM 0 HB3 ALA A 513 14.537 -10.745 0.300 1.00 4.20 H new ATOM 234 N GLN A 514 16.487 -7.313 1.255 1.00 1.97 N ATOM 235 CA GLN A 514 16.066 -6.089 1.940 1.00 1.53 C ATOM 236 C GLN A 514 15.707 -6.363 3.401 1.00 1.41 C ATOM 237 O GLN A 514 15.325 -7.475 3.770 1.00 1.94 O ATOM 238 CB GLN A 514 14.888 -5.425 1.219 1.00 1.48 C ATOM 239 CG GLN A 514 15.215 -4.980 -0.194 1.00 1.76 C ATOM 240 CD GLN A 514 14.015 -4.422 -0.928 1.00 2.06 C ATOM 241 OE1 GLN A 514 12.875 -4.822 -0.687 1.00 2.88 O ATOM 242 NE2 GLN A 514 14.260 -3.498 -1.837 1.00 2.17 N ATOM 0 H GLN A 514 17.489 -7.351 1.066 1.00 1.97 H new ATOM 0 HA GLN A 514 16.912 -5.402 1.920 1.00 1.53 H new ATOM 0 HB2 GLN A 514 14.052 -6.124 1.187 1.00 1.48 H new ATOM 0 HB3 GLN A 514 14.559 -4.561 1.797 1.00 1.48 H new ATOM 0 HG2 GLN A 514 15.998 -4.222 -0.159 1.00 1.76 H new ATOM 0 HG3 GLN A 514 15.615 -5.826 -0.753 1.00 1.76 H new ATOM 0 HE21 GLN A 514 15.218 -3.192 -2.008 1.00 2.17 H new ATOM 0 HE22 GLN A 514 13.491 -3.089 -2.369 1.00 2.17 H new ATOM 251 N ARG A 515 15.841 -5.336 4.228 1.00 1.22 N ATOM 252 CA ARG A 515 15.569 -5.450 5.657 1.00 1.19 C ATOM 253 C ARG A 515 14.087 -5.235 5.940 1.00 1.13 C ATOM 254 O ARG A 515 13.709 -4.289 6.629 1.00 1.84 O ATOM 255 CB ARG A 515 16.395 -4.423 6.441 1.00 1.39 C ATOM 256 CG ARG A 515 17.890 -4.512 6.191 1.00 1.59 C ATOM 257 CD ARG A 515 18.454 -5.846 6.643 1.00 1.75 C ATOM 258 NE ARG A 515 19.871 -5.976 6.313 1.00 2.36 N ATOM 259 CZ ARG A 515 20.650 -6.960 6.751 1.00 3.12 C ATOM 260 NH1 ARG A 515 20.181 -7.845 7.622 1.00 3.44 N ATOM 261 NH2 ARG A 515 21.909 -7.040 6.342 1.00 4.00 N ATOM 0 H ARG A 515 16.139 -4.406 3.932 1.00 1.22 H new ATOM 0 HA ARG A 515 15.848 -6.454 5.976 1.00 1.19 H new ATOM 0 HB2 ARG A 515 16.053 -3.422 6.181 1.00 1.39 H new ATOM 0 HB3 ARG A 515 16.207 -4.557 7.506 1.00 1.39 H new ATOM 0 HG2 ARG A 515 18.091 -4.373 5.129 1.00 1.59 H new ATOM 0 HG3 ARG A 515 18.396 -3.704 6.720 1.00 1.59 H new ATOM 0 HD2 ARG A 515 18.320 -5.951 7.720 1.00 1.75 H new ATOM 0 HD3 ARG A 515 17.895 -6.655 6.172 1.00 1.75 H new ATOM 0 HE ARG A 515 20.289 -5.268 5.709 1.00 2.36 H new ATOM 0 HH11 ARG A 515 19.220 -7.771 7.957 1.00 3.44 H new ATOM 0 HH12 ARG A 515 20.781 -8.599 7.956 1.00 3.44 H new ATOM 0 HH21 ARG A 515 22.279 -6.347 5.692 1.00 4.00 H new ATOM 0 HH22 ARG A 515 22.507 -7.795 6.678 1.00 4.00 H new ATOM 275 N LYS A 516 13.251 -6.114 5.405 1.00 0.82 N ATOM 276 CA LYS A 516 11.816 -6.008 5.610 1.00 0.79 C ATOM 277 C LYS A 516 11.388 -6.866 6.796 1.00 0.90 C ATOM 278 O LYS A 516 10.613 -7.812 6.648 1.00 1.11 O ATOM 279 CB LYS A 516 11.046 -6.434 4.355 1.00 0.97 C ATOM 280 CG LYS A 516 11.466 -5.710 3.083 1.00 1.06 C ATOM 281 CD LYS A 516 11.375 -4.196 3.221 1.00 1.07 C ATOM 282 CE LYS A 516 11.669 -3.512 1.894 1.00 1.24 C ATOM 283 NZ LYS A 516 11.839 -2.041 2.036 1.00 1.89 N ATOM 0 H LYS A 516 13.541 -6.904 4.829 1.00 0.82 H new ATOM 0 HA LYS A 516 11.582 -4.964 5.818 1.00 0.79 H new ATOM 0 HB2 LYS A 516 11.178 -7.506 4.209 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.982 -6.264 4.521 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.489 -5.988 2.830 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.834 -6.036 2.257 1.00 1.06 H new ATOM 0 HD2 LYS A 516 10.379 -3.917 3.566 1.00 1.07 H new ATOM 0 HD3 LYS A 516 12.082 -3.852 3.976 1.00 1.07 H new ATOM 0 HE2 LYS A 516 12.574 -3.939 1.462 1.00 1.24 H new ATOM 0 HE3 LYS A 516 10.856 -3.715 1.197 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 11.666 -1.581 1.119 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 11.162 -1.679 2.738 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 12.808 -1.832 2.350 1.00 1.89 H new ATOM 297 N GLY A 517 11.923 -6.545 7.962 1.00 0.96 N ATOM 298 CA GLY A 517 11.561 -7.250 9.176 1.00 1.13 C ATOM 299 C GLY A 517 11.316 -6.285 10.310 1.00 1.25 C ATOM 300 O GLY A 517 10.182 -6.118 10.761 1.00 2.04 O ATOM 0 H GLY A 517 12.609 -5.801 8.092 1.00 0.96 H new ATOM 0 HA2 GLY A 517 10.665 -7.846 9.001 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.357 -7.943 9.449 1.00 1.13 H new ATOM 304 N ALA A 518 12.381 -5.641 10.764 1.00 1.01 N ATOM 305 CA ALA A 518 12.273 -4.564 11.735 1.00 1.14 C ATOM 306 C ALA A 518 12.023 -3.260 10.992 1.00 1.08 C ATOM 307 O ALA A 518 12.874 -2.368 10.949 1.00 1.75 O ATOM 308 CB ALA A 518 13.534 -4.473 12.584 1.00 1.41 C ATOM 0 H ALA A 518 13.336 -5.848 10.472 1.00 1.01 H new ATOM 0 HA ALA A 518 11.441 -4.763 12.410 1.00 1.14 H new ATOM 0 HB1 ALA A 518 13.431 -3.661 13.303 1.00 1.41 H new ATOM 0 HB2 ALA A 518 13.683 -5.412 13.117 1.00 1.41 H new ATOM 0 HB3 ALA A 518 14.393 -4.281 11.941 1.00 1.41 H new ATOM 314 N GLY A 519 10.856 -3.174 10.385 1.00 0.67 N ATOM 315 CA GLY A 519 10.561 -2.076 9.499 1.00 0.60 C ATOM 316 C GLY A 519 10.256 -2.580 8.111 1.00 0.50 C ATOM 317 O GLY A 519 11.060 -3.303 7.522 1.00 0.51 O ATOM 0 H GLY A 519 10.101 -3.852 10.491 1.00 0.67 H new ATOM 0 HA2 GLY A 519 9.711 -1.512 9.882 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.409 -1.392 9.465 1.00 0.60 H new ATOM 321 N ARG A 520 9.090 -2.237 7.591 1.00 0.46 N ATOM 322 CA ARG A 520 8.742 -2.620 6.233 1.00 0.40 C ATOM 323 C ARG A 520 8.153 -1.438 5.483 1.00 0.34 C ATOM 324 O ARG A 520 7.336 -0.694 6.017 1.00 0.36 O ATOM 325 CB ARG A 520 7.723 -3.758 6.251 1.00 0.44 C ATOM 326 CG ARG A 520 8.179 -4.985 7.016 1.00 0.56 C ATOM 327 CD ARG A 520 6.992 -5.777 7.526 1.00 0.64 C ATOM 328 NE ARG A 520 6.114 -4.940 8.340 1.00 0.93 N ATOM 329 CZ ARG A 520 6.005 -5.030 9.663 1.00 1.70 C ATOM 330 NH1 ARG A 520 6.696 -5.939 10.339 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.204 -4.199 10.311 1.00 2.22 N ATOM 0 H ARG A 520 8.375 -1.700 8.082 1.00 0.46 H new ATOM 0 HA ARG A 520 9.650 -2.951 5.729 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.795 -3.393 6.691 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.498 -4.046 5.224 1.00 0.44 H new ATOM 0 HG2 ARG A 520 8.791 -5.615 6.370 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.807 -4.683 7.854 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.433 -6.184 6.683 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.342 -6.624 8.116 1.00 0.64 H new ATOM 0 HE ARG A 520 5.547 -4.240 7.862 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.319 -6.578 9.845 1.00 2.13 H new ATOM 0 HH12 ARG A 520 6.605 -5.999 11.353 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.675 -3.495 9.796 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.116 -4.263 11.325 1.00 2.22 H new ATOM 345 N VAL A 521 8.598 -1.255 4.254 1.00 0.29 N ATOM 346 CA VAL A 521 7.941 -0.341 3.345 1.00 0.24 C ATOM 347 C VAL A 521 7.390 -1.099 2.155 1.00 0.21 C ATOM 348 O VAL A 521 8.141 -1.751 1.422 1.00 0.23 O ATOM 349 CB VAL A 521 8.860 0.792 2.854 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.132 1.663 1.848 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.345 1.628 4.017 1.00 0.32 C ATOM 0 H VAL A 521 9.413 -1.729 3.864 1.00 0.29 H new ATOM 0 HA VAL A 521 7.131 0.126 3.906 1.00 0.24 H new ATOM 0 HB VAL A 521 9.726 0.344 2.367 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.794 2.460 1.510 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.828 1.057 0.994 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.249 2.099 2.316 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.993 2.423 3.648 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.490 2.066 4.532 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.902 0.998 4.710 1.00 0.32 H new ATOM 361 N VAL A 522 6.092 -1.006 1.961 1.00 0.20 N ATOM 362 CA VAL A 522 5.452 -1.600 0.808 1.00 0.18 C ATOM 363 C VAL A 522 4.774 -0.486 0.034 1.00 0.18 C ATOM 364 O VAL A 522 3.939 0.232 0.580 1.00 0.19 O ATOM 365 CB VAL A 522 4.417 -2.665 1.225 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.864 -3.391 0.011 1.00 0.21 C ATOM 367 CG2 VAL A 522 5.031 -3.648 2.209 1.00 0.22 C ATOM 0 H VAL A 522 5.455 -0.520 2.593 1.00 0.20 H new ATOM 0 HA VAL A 522 6.198 -2.102 0.193 1.00 0.18 H new ATOM 0 HB VAL A 522 3.587 -2.158 1.718 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.137 -4.136 0.333 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.380 -2.674 -0.652 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.678 -3.884 -0.520 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.287 -4.392 2.492 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.882 -4.145 1.744 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.365 -3.112 3.098 1.00 0.22 H new ATOM 377 N HIS A 523 5.147 -0.314 -1.220 1.00 0.18 N ATOM 378 CA HIS A 523 4.682 0.813 -1.999 1.00 0.18 C ATOM 379 C HIS A 523 3.636 0.372 -3.007 1.00 0.17 C ATOM 380 O HIS A 523 3.834 -0.586 -3.752 1.00 0.18 O ATOM 381 CB HIS A 523 5.883 1.450 -2.715 1.00 0.20 C ATOM 382 CG HIS A 523 5.545 2.571 -3.656 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.371 2.384 -5.009 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.401 3.902 -3.443 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.140 3.547 -5.586 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.151 4.487 -4.660 1.00 0.37 N ATOM 0 H HIS A 523 5.773 -0.944 -1.721 1.00 0.18 H new ATOM 0 HA HIS A 523 4.219 1.545 -1.338 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.577 1.825 -1.963 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.407 0.674 -3.273 1.00 0.20 H new ATOM 0 HD2 HIS A 523 5.470 4.409 -2.492 1.00 0.30 H new ATOM 0 HE1 HIS A 523 4.970 3.704 -6.641 1.00 0.44 H new ATOM 0 HE2 HIS A 523 4.999 5.483 -4.821 1.00 0.37 H new ATOM 395 N ILE A 524 2.531 1.086 -3.024 1.00 0.16 N ATOM 396 CA ILE A 524 1.469 0.837 -3.972 1.00 0.16 C ATOM 397 C ILE A 524 1.412 2.005 -4.938 1.00 0.17 C ATOM 398 O ILE A 524 1.646 3.147 -4.552 1.00 0.19 O ATOM 399 CB ILE A 524 0.108 0.668 -3.257 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.232 -0.394 -2.158 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.987 0.297 -4.252 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.068 -0.708 -1.453 1.00 0.18 C ATOM 0 H ILE A 524 2.345 1.855 -2.381 1.00 0.16 H new ATOM 0 HA ILE A 524 1.672 -0.090 -4.508 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.171 1.617 -2.800 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.626 -1.311 -2.597 1.00 0.16 H new ATOM 0 HG13 ILE A 524 0.960 -0.055 -1.421 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.934 0.184 -3.725 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.080 1.084 -5.001 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.730 -0.642 -4.742 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.894 -1.468 -0.691 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.454 0.196 -0.983 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.794 -1.079 -2.177 1.00 0.18 H new ATOM 414 N CYS A 525 1.146 1.735 -6.195 1.00 0.17 N ATOM 415 CA CYS A 525 1.145 2.790 -7.184 1.00 0.18 C ATOM 416 C CYS A 525 0.062 2.579 -8.220 1.00 0.15 C ATOM 417 O CYS A 525 -0.530 1.498 -8.292 1.00 0.16 O ATOM 418 CB CYS A 525 2.518 2.892 -7.845 1.00 0.29 C ATOM 419 SG CYS A 525 3.338 1.302 -8.112 1.00 1.17 S ATOM 0 H CYS A 525 0.930 0.805 -6.555 1.00 0.17 H new ATOM 0 HA CYS A 525 0.929 3.730 -6.676 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.409 3.397 -8.805 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.160 3.519 -7.226 1.00 0.29 H new ATOM 0 HG CYS A 525 2.895 0.435 -7.250 1.00 1.17 H new ATOM 425 N ASN A 526 -0.189 3.644 -8.982 1.00 0.15 N ATOM 426 CA ASN A 526 -1.181 3.671 -10.062 1.00 0.16 C ATOM 427 C ASN A 526 -2.545 4.046 -9.507 1.00 0.15 C ATOM 428 O ASN A 526 -3.583 3.704 -10.073 1.00 0.18 O ATOM 429 CB ASN A 526 -1.247 2.346 -10.844 1.00 0.19 C ATOM 430 CG ASN A 526 0.049 2.027 -11.567 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.802 2.924 -11.944 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.307 0.747 -11.786 1.00 0.26 N ATOM 0 H ASN A 526 0.301 4.531 -8.865 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.863 4.431 -10.776 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.484 1.534 -10.156 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.060 2.397 -11.569 1.00 0.19 H new ATOM 0 HD21 ASN A 526 1.155 0.476 -12.283 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.342 0.032 -11.457 1.00 0.26 H new ATOM 439 N LEU A 527 -2.524 4.793 -8.411 1.00 0.15 N ATOM 440 CA LEU A 527 -3.743 5.284 -7.793 1.00 0.17 C ATOM 441 C LEU A 527 -4.062 6.663 -8.352 1.00 0.22 C ATOM 442 O LEU A 527 -3.239 7.566 -8.270 1.00 0.25 O ATOM 443 CB LEU A 527 -3.578 5.363 -6.270 1.00 0.15 C ATOM 444 CG LEU A 527 -3.519 4.021 -5.539 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.094 4.223 -4.094 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.874 3.337 -5.588 1.00 0.21 C ATOM 0 H LEU A 527 -1.668 5.072 -7.931 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.560 4.597 -8.015 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.665 5.916 -6.050 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.407 5.942 -5.863 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.784 3.389 -6.037 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -3.057 3.259 -3.587 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.107 4.686 -4.066 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.812 4.870 -3.590 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.819 2.383 -5.064 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.619 3.972 -5.109 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.157 3.165 -6.626 1.00 0.21 H new ATOM 458 N PRO A 528 -5.252 6.852 -8.930 1.00 0.26 N ATOM 459 CA PRO A 528 -5.622 8.130 -9.530 1.00 0.33 C ATOM 460 C PRO A 528 -5.937 9.186 -8.475 1.00 0.34 C ATOM 461 O PRO A 528 -6.639 8.909 -7.502 1.00 0.32 O ATOM 462 CB PRO A 528 -6.884 7.806 -10.347 1.00 0.38 C ATOM 463 CG PRO A 528 -7.077 6.323 -10.256 1.00 0.37 C ATOM 464 CD PRO A 528 -6.317 5.857 -9.052 1.00 0.29 C ATOM 0 HA PRO A 528 -4.811 8.543 -10.129 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.750 8.336 -9.950 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.766 8.120 -11.384 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.135 6.076 -10.164 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -6.712 5.830 -11.157 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.947 5.829 -8.163 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -5.917 4.853 -9.191 1.00 0.29 H new ATOM 472 N GLU A 529 -5.417 10.391 -8.670 1.00 0.41 N ATOM 473 CA GLU A 529 -5.737 11.513 -7.799 1.00 0.46 C ATOM 474 C GLU A 529 -7.218 11.842 -7.923 1.00 0.47 C ATOM 475 O GLU A 529 -7.738 11.992 -9.032 1.00 0.53 O ATOM 476 CB GLU A 529 -4.882 12.729 -8.156 1.00 0.57 C ATOM 477 CG GLU A 529 -5.272 13.995 -7.407 1.00 0.66 C ATOM 478 CD GLU A 529 -4.462 15.206 -7.827 1.00 1.12 C ATOM 479 OE1 GLU A 529 -4.501 15.570 -9.023 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.801 15.816 -6.958 1.00 1.41 O ATOM 0 H GLU A 529 -4.770 10.616 -9.426 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.518 11.241 -6.767 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.837 12.501 -7.946 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -4.959 12.914 -9.227 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -6.330 14.197 -7.573 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -5.143 13.832 -6.337 1.00 0.66 H new ATOM 487 N GLY A 530 -7.898 11.943 -6.792 1.00 0.46 N ATOM 488 CA GLY A 530 -9.336 12.078 -6.818 1.00 0.48 C ATOM 489 C GLY A 530 -10.000 10.727 -6.692 1.00 0.43 C ATOM 490 O GLY A 530 -11.221 10.601 -6.807 1.00 0.46 O ATOM 0 H GLY A 530 -7.481 11.934 -5.861 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.660 12.726 -6.004 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.645 12.556 -7.748 1.00 0.48 H new ATOM 494 N SER A 531 -9.175 9.708 -6.495 1.00 0.37 N ATOM 495 CA SER A 531 -9.640 8.336 -6.370 1.00 0.35 C ATOM 496 C SER A 531 -8.710 7.544 -5.447 1.00 0.28 C ATOM 497 O SER A 531 -8.840 6.329 -5.304 1.00 0.30 O ATOM 498 CB SER A 531 -9.705 7.686 -7.749 1.00 0.40 C ATOM 499 OG SER A 531 -10.562 8.418 -8.612 1.00 1.08 O ATOM 0 H SER A 531 -8.163 9.811 -6.417 1.00 0.37 H new ATOM 0 HA SER A 531 -10.639 8.336 -5.933 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.705 7.636 -8.180 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.064 6.661 -7.656 1.00 0.40 H new ATOM 0 HG SER A 531 -10.028 8.865 -9.302 1.00 1.08 H new ATOM 505 N CYS A 532 -7.777 8.247 -4.816 1.00 0.24 N ATOM 506 CA CYS A 532 -6.864 7.631 -3.864 1.00 0.20 C ATOM 507 C CYS A 532 -7.490 7.681 -2.485 1.00 0.18 C ATOM 508 O CYS A 532 -7.258 8.625 -1.723 1.00 0.21 O ATOM 509 CB CYS A 532 -5.520 8.370 -3.831 1.00 0.21 C ATOM 510 SG CYS A 532 -4.665 8.461 -5.415 1.00 0.25 S ATOM 0 H CYS A 532 -7.634 9.248 -4.948 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.684 6.600 -4.169 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.688 9.383 -3.467 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.868 7.876 -3.111 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.495 8.172 -6.373 1.00 0.25 H new ATOM 516 N THR A 533 -8.298 6.691 -2.159 1.00 0.17 N ATOM 517 CA THR A 533 -8.962 6.694 -0.879 1.00 0.18 C ATOM 518 C THR A 533 -8.198 5.820 0.098 1.00 0.17 C ATOM 519 O THR A 533 -7.611 4.809 -0.283 1.00 0.18 O ATOM 520 CB THR A 533 -10.405 6.182 -1.035 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.388 4.847 -1.556 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.206 7.080 -1.965 1.00 0.28 C ATOM 0 H THR A 533 -8.506 5.889 -2.754 1.00 0.17 H new ATOM 0 HA THR A 533 -8.992 7.713 -0.493 1.00 0.18 H new ATOM 0 HB THR A 533 -10.880 6.191 -0.054 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.188 4.368 -1.255 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.222 6.695 -2.057 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.237 8.091 -1.558 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.735 7.099 -2.948 1.00 0.28 H new ATOM 530 N GLU A 534 -8.232 6.205 1.364 1.00 0.19 N ATOM 531 CA GLU A 534 -7.498 5.501 2.405 1.00 0.20 C ATOM 532 C GLU A 534 -8.099 4.132 2.636 1.00 0.19 C ATOM 533 O GLU A 534 -7.395 3.153 2.885 1.00 0.20 O ATOM 534 CB GLU A 534 -7.471 6.333 3.688 1.00 0.23 C ATOM 535 CG GLU A 534 -6.875 7.724 3.486 1.00 0.27 C ATOM 536 CD GLU A 534 -6.998 8.596 4.719 1.00 0.93 C ATOM 537 OE1 GLU A 534 -7.848 9.510 4.730 1.00 1.17 O ATOM 538 OE2 GLU A 534 -6.240 8.369 5.687 1.00 1.64 O ATOM 0 H GLU A 534 -8.765 7.008 1.698 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.467 5.358 2.083 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.486 6.431 4.072 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.894 5.803 4.446 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.823 7.629 3.217 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.376 8.212 2.649 1.00 0.27 H new ATOM 545 N ASN A 535 -9.415 4.083 2.525 1.00 0.20 N ATOM 546 CA ASN A 535 -10.158 2.875 2.811 1.00 0.22 C ATOM 547 C ASN A 535 -9.823 1.780 1.802 1.00 0.21 C ATOM 548 O ASN A 535 -9.513 0.671 2.193 1.00 0.21 O ATOM 549 CB ASN A 535 -11.661 3.159 2.810 1.00 0.27 C ATOM 550 CG ASN A 535 -12.442 2.169 3.657 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.840 1.105 3.186 1.00 1.82 O ATOM 552 ND2 ASN A 535 -12.676 2.521 4.913 1.00 1.38 N ATOM 0 H ASN A 535 -9.992 4.873 2.237 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.870 2.525 3.802 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.837 4.168 3.182 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -12.032 3.128 1.786 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -13.204 1.900 5.527 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -12.329 3.413 5.266 1.00 1.38 H new ATOM 559 N ASP A 536 -9.815 2.119 0.507 1.00 0.21 N ATOM 560 CA ASP A 536 -9.674 1.114 -0.562 1.00 0.22 C ATOM 561 C ASP A 536 -8.260 0.536 -0.618 1.00 0.17 C ATOM 562 O ASP A 536 -8.071 -0.667 -0.804 1.00 0.16 O ATOM 563 CB ASP A 536 -10.042 1.714 -1.924 1.00 0.27 C ATOM 564 CG ASP A 536 -11.532 1.958 -2.080 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.153 1.334 -2.971 1.00 0.44 O ATOM 566 OD2 ASP A 536 -12.094 2.777 -1.320 1.00 0.61 O ATOM 0 H ASP A 536 -9.904 3.078 0.171 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.363 0.302 -0.329 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.509 2.656 -2.056 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.704 1.043 -2.714 1.00 0.27 H new ATOM 571 N VAL A 537 -7.278 1.412 -0.466 1.00 0.15 N ATOM 572 CA VAL A 537 -5.871 1.007 -0.460 1.00 0.13 C ATOM 573 C VAL A 537 -5.638 0.001 0.670 1.00 0.12 C ATOM 574 O VAL A 537 -5.041 -1.073 0.489 1.00 0.13 O ATOM 575 CB VAL A 537 -4.945 2.237 -0.296 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.476 1.853 -0.374 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.264 3.269 -1.361 1.00 0.13 C ATOM 0 H VAL A 537 -7.426 2.414 -0.344 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.632 0.537 -1.414 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.127 2.659 0.693 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.860 2.744 -0.254 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.243 1.142 0.419 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.270 1.397 -1.342 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.609 4.132 -1.240 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -5.110 2.833 -2.348 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.302 3.585 -1.262 1.00 0.13 H new ATOM 587 N ILE A 538 -6.162 0.339 1.831 1.00 0.12 N ATOM 588 CA ILE A 538 -6.130 -0.555 2.967 1.00 0.12 C ATOM 589 C ILE A 538 -7.018 -1.784 2.737 1.00 0.12 C ATOM 590 O ILE A 538 -6.725 -2.868 3.238 1.00 0.12 O ATOM 591 CB ILE A 538 -6.523 0.165 4.263 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.481 1.223 4.606 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.663 -0.828 5.398 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.709 1.868 5.950 1.00 0.23 C ATOM 0 H ILE A 538 -6.618 1.233 2.011 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.101 -0.899 3.076 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.486 0.654 4.116 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.491 0.767 4.593 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.487 1.993 3.835 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.942 -0.301 6.310 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.434 -1.558 5.150 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.714 -1.341 5.552 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.933 2.611 6.133 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.685 2.353 5.960 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.674 1.107 6.730 1.00 0.23 H new ATOM 606 N ASN A 539 -8.116 -1.611 1.996 1.00 0.12 N ATOM 607 CA ASN A 539 -9.003 -2.731 1.669 1.00 0.14 C ATOM 608 C ASN A 539 -8.237 -3.818 0.948 1.00 0.15 C ATOM 609 O ASN A 539 -8.617 -4.982 0.996 1.00 0.17 O ATOM 610 CB ASN A 539 -10.182 -2.330 0.766 1.00 0.17 C ATOM 611 CG ASN A 539 -11.232 -1.442 1.411 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.913 -0.685 0.719 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.384 -1.520 2.722 1.00 0.21 N ATOM 0 H ASN A 539 -8.411 -0.713 1.613 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.395 -3.079 2.624 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.787 -1.816 -0.110 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.669 -3.238 0.410 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.082 -0.942 3.190 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.803 -2.158 3.266 1.00 0.21 H new ATOM 620 N LEU A 540 -7.189 -3.437 0.238 1.00 0.15 N ATOM 621 CA LEU A 540 -6.321 -4.420 -0.377 1.00 0.17 C ATOM 622 C LEU A 540 -5.429 -5.049 0.684 1.00 0.16 C ATOM 623 O LEU A 540 -5.239 -6.264 0.714 1.00 0.19 O ATOM 624 CB LEU A 540 -5.448 -3.756 -1.441 1.00 0.19 C ATOM 625 CG LEU A 540 -6.195 -3.097 -2.598 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.205 -2.512 -3.587 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.123 -4.088 -3.287 1.00 0.24 C ATOM 0 H LEU A 540 -6.923 -2.466 0.076 1.00 0.15 H new ATOM 0 HA LEU A 540 -6.935 -5.190 -0.845 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -4.829 -3.001 -0.956 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -4.773 -4.507 -1.850 1.00 0.19 H new ATOM 0 HG LEU A 540 -6.810 -2.292 -2.197 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -5.746 -2.044 -4.409 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -4.589 -1.765 -3.086 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.568 -3.306 -3.977 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.642 -3.591 -4.107 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.539 -4.921 -3.679 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -7.853 -4.462 -2.569 1.00 0.24 H new ATOM 639 N GLY A 541 -4.909 -4.202 1.574 1.00 0.14 N ATOM 640 CA GLY A 541 -4.015 -4.678 2.623 1.00 0.16 C ATOM 641 C GLY A 541 -4.635 -5.633 3.638 1.00 0.15 C ATOM 642 O GLY A 541 -4.131 -6.736 3.844 1.00 0.19 O ATOM 0 H GLY A 541 -5.090 -3.198 1.588 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.167 -5.177 2.154 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.621 -3.814 3.158 1.00 0.16 H new ATOM 646 N LEU A 542 -5.745 -5.238 4.234 1.00 0.13 N ATOM 647 CA LEU A 542 -6.296 -5.945 5.399 1.00 0.14 C ATOM 648 C LEU A 542 -6.605 -7.433 5.171 1.00 0.16 C ATOM 649 O LEU A 542 -6.270 -8.256 6.024 1.00 0.20 O ATOM 650 CB LEU A 542 -7.532 -5.223 5.916 1.00 0.13 C ATOM 651 CG LEU A 542 -7.238 -3.970 6.732 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.510 -3.188 6.978 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.583 -4.345 8.051 1.00 0.16 C ATOM 0 H LEU A 542 -6.292 -4.430 3.937 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.503 -5.929 6.146 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.159 -4.950 5.067 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.110 -5.914 6.530 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.551 -3.340 6.167 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.282 -2.296 7.562 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.947 -2.895 6.024 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.219 -3.809 7.526 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.378 -3.441 8.625 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.252 -4.992 8.619 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.649 -4.871 7.857 1.00 0.16 H new ATOM 665 N PRO A 543 -7.261 -7.819 4.060 1.00 0.17 N ATOM 666 CA PRO A 543 -7.627 -9.221 3.818 1.00 0.19 C ATOM 667 C PRO A 543 -6.424 -10.168 3.761 1.00 0.20 C ATOM 668 O PRO A 543 -6.557 -11.358 4.049 1.00 0.23 O ATOM 669 CB PRO A 543 -8.355 -9.172 2.469 1.00 0.22 C ATOM 670 CG PRO A 543 -8.841 -7.770 2.376 1.00 0.21 C ATOM 671 CD PRO A 543 -7.735 -6.954 2.970 1.00 0.17 C ATOM 0 HA PRO A 543 -8.233 -9.619 4.632 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.686 -9.418 1.645 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.180 -9.884 2.434 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -9.035 -7.484 1.342 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.773 -7.635 2.924 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.949 -6.745 2.245 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.092 -5.992 3.339 1.00 0.17 H new ATOM 679 N PHE A 544 -5.248 -9.660 3.400 1.00 0.20 N ATOM 680 CA PHE A 544 -4.050 -10.494 3.373 1.00 0.22 C ATOM 681 C PHE A 544 -3.216 -10.303 4.641 1.00 0.22 C ATOM 682 O PHE A 544 -2.326 -11.100 4.935 1.00 0.28 O ATOM 683 CB PHE A 544 -3.199 -10.179 2.140 1.00 0.23 C ATOM 684 CG PHE A 544 -3.903 -10.398 0.831 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.995 -11.664 0.279 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.471 -9.332 0.149 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.641 -11.866 -0.924 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.118 -9.527 -1.056 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.205 -10.797 -1.593 1.00 0.33 C ATOM 0 H PHE A 544 -5.100 -8.689 3.126 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.373 -11.534 3.325 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.872 -9.141 2.194 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.302 -10.797 2.165 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.556 -12.504 0.796 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.407 -8.337 0.565 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.706 -12.860 -1.342 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.555 -8.688 -1.577 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.713 -10.954 -2.533 1.00 0.33 H new ATOM 699 N GLY A 545 -3.507 -9.247 5.389 1.00 0.19 N ATOM 700 CA GLY A 545 -2.779 -8.979 6.614 1.00 0.21 C ATOM 701 C GLY A 545 -3.213 -7.680 7.258 1.00 0.21 C ATOM 702 O GLY A 545 -3.669 -6.771 6.572 1.00 0.44 O ATOM 0 H GLY A 545 -4.237 -8.569 5.168 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.933 -9.800 7.314 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.711 -8.939 6.400 1.00 0.21 H new ATOM 706 N LYS A 546 -3.073 -7.585 8.572 1.00 0.27 N ATOM 707 CA LYS A 546 -3.498 -6.393 9.294 1.00 0.25 C ATOM 708 C LYS A 546 -2.645 -5.187 8.909 1.00 0.20 C ATOM 709 O LYS A 546 -1.420 -5.250 8.919 1.00 0.24 O ATOM 710 CB LYS A 546 -3.431 -6.641 10.804 1.00 0.35 C ATOM 711 CG LYS A 546 -3.760 -5.420 11.650 1.00 0.41 C ATOM 712 CD LYS A 546 -3.893 -5.756 13.133 1.00 0.92 C ATOM 713 CE LYS A 546 -2.632 -6.395 13.709 1.00 1.60 C ATOM 714 NZ LYS A 546 -2.600 -7.872 13.511 1.00 2.07 N ATOM 0 H LYS A 546 -2.670 -8.315 9.159 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.530 -6.174 9.019 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -4.122 -7.444 11.060 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.430 -6.988 11.060 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.980 -4.670 11.519 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.691 -4.977 11.296 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.120 -4.846 13.688 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -4.735 -6.434 13.273 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -1.755 -5.949 13.239 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -2.570 -6.173 14.774 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -2.401 -8.340 14.418 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -3.521 -8.194 13.150 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -1.856 -8.114 12.826 1.00 2.07 H new ATOM 728 N VAL A 547 -3.313 -4.098 8.559 1.00 0.16 N ATOM 729 CA VAL A 547 -2.651 -2.864 8.173 1.00 0.15 C ATOM 730 C VAL A 547 -2.333 -2.013 9.395 1.00 0.18 C ATOM 731 O VAL A 547 -3.232 -1.573 10.116 1.00 0.20 O ATOM 732 CB VAL A 547 -3.533 -2.069 7.187 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.948 -0.700 6.882 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.718 -2.861 5.905 1.00 0.14 C ATOM 0 H VAL A 547 -4.331 -4.047 8.535 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.713 -3.121 7.681 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.503 -1.911 7.659 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.599 -0.173 6.184 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.865 -0.126 7.805 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.960 -0.817 6.438 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.341 -2.294 5.214 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.746 -3.046 5.448 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.200 -3.812 6.131 1.00 0.14 H new ATOM 744 N THR A 548 -1.049 -1.804 9.638 1.00 0.20 N ATOM 745 CA THR A 548 -0.611 -1.007 10.766 1.00 0.23 C ATOM 746 C THR A 548 -0.410 0.456 10.380 1.00 0.23 C ATOM 747 O THR A 548 -0.731 1.360 11.153 1.00 0.27 O ATOM 748 CB THR A 548 0.702 -1.575 11.330 1.00 0.27 C ATOM 749 OG1 THR A 548 1.629 -1.769 10.255 1.00 0.26 O ATOM 750 CG2 THR A 548 0.466 -2.897 12.045 1.00 0.31 C ATOM 0 H THR A 548 -0.292 -2.178 9.066 1.00 0.20 H new ATOM 0 HA THR A 548 -1.392 -1.052 11.525 1.00 0.23 H new ATOM 0 HB THR A 548 1.106 -0.866 12.053 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.469 -2.129 10.608 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.412 -3.275 12.433 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.230 -2.745 12.870 1.00 0.31 H new ATOM 0 HG23 THR A 548 0.047 -3.620 11.345 1.00 0.31 H new ATOM 758 N ASN A 549 0.075 0.679 9.164 1.00 0.20 N ATOM 759 CA ASN A 549 0.353 2.030 8.676 1.00 0.21 C ATOM 760 C ASN A 549 0.017 2.135 7.197 1.00 0.18 C ATOM 761 O ASN A 549 -0.017 1.134 6.488 1.00 0.20 O ATOM 762 CB ASN A 549 1.833 2.407 8.877 1.00 0.26 C ATOM 763 CG ASN A 549 2.269 2.537 10.331 1.00 0.40 C ATOM 764 OD1 ASN A 549 3.374 2.132 10.691 1.00 1.26 O ATOM 765 ND2 ASN A 549 1.434 3.132 11.166 1.00 0.81 N ATOM 0 H ASN A 549 0.286 -0.060 8.493 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.267 2.718 9.250 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.454 1.654 8.392 1.00 0.26 H new ATOM 0 HB3 ASN A 549 2.024 3.352 8.369 1.00 0.26 H new ATOM 0 HD21 ASN A 549 1.699 3.267 12.142 1.00 0.81 H new ATOM 0 HD22 ASN A 549 0.525 3.456 10.834 1.00 0.81 H new ATOM 772 N TYR A 550 -0.250 3.348 6.746 1.00 0.17 N ATOM 773 CA TYR A 550 -0.557 3.603 5.349 1.00 0.17 C ATOM 774 C TYR A 550 -0.364 5.079 5.040 1.00 0.17 C ATOM 775 O TYR A 550 -0.543 5.924 5.916 1.00 0.17 O ATOM 776 CB TYR A 550 -1.994 3.174 5.039 1.00 0.17 C ATOM 777 CG TYR A 550 -3.029 3.825 5.930 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.944 4.728 5.414 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.091 3.534 7.289 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.892 5.320 6.225 1.00 0.22 C ATOM 781 CE2 TYR A 550 -4.032 4.121 8.102 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.929 5.012 7.569 1.00 0.25 C ATOM 783 OH TYR A 550 -5.878 5.586 8.378 1.00 0.31 O ATOM 0 H TYR A 550 -0.260 4.181 7.335 1.00 0.17 H new ATOM 0 HA TYR A 550 0.120 3.022 4.722 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.219 3.414 4.000 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.070 2.091 5.140 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.916 4.973 4.362 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.387 2.834 7.714 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.601 6.021 5.809 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -4.065 3.882 9.155 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.084 4.981 9.121 1.00 0.31 H new ATOM 793 N ILE A 551 -0.013 5.385 3.802 1.00 0.18 N ATOM 794 CA ILE A 551 0.292 6.749 3.393 1.00 0.16 C ATOM 795 C ILE A 551 -0.200 6.940 1.975 1.00 0.17 C ATOM 796 O ILE A 551 0.195 6.190 1.088 1.00 0.20 O ATOM 797 CB ILE A 551 1.816 7.008 3.403 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.437 6.599 4.744 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.118 8.468 3.104 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.946 6.680 4.769 1.00 0.20 C ATOM 0 H ILE A 551 0.069 4.698 3.053 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.190 7.436 4.088 1.00 0.16 H new ATOM 0 HB ILE A 551 2.262 6.395 2.620 1.00 0.18 H new ATOM 0 HG12 ILE A 551 2.035 7.239 5.530 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.134 5.579 4.978 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.196 8.626 3.116 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.724 8.727 2.121 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.650 9.099 3.860 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.311 6.375 5.750 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.359 6.018 4.007 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.259 7.705 4.568 1.00 0.20 H new ATOM 812 N LEU A 552 -1.053 7.912 1.734 1.00 0.16 N ATOM 813 CA LEU A 552 -1.558 8.107 0.392 1.00 0.19 C ATOM 814 C LEU A 552 -0.969 9.364 -0.214 1.00 0.19 C ATOM 815 O LEU A 552 -1.198 10.461 0.296 1.00 0.26 O ATOM 816 CB LEU A 552 -3.078 8.185 0.371 1.00 0.27 C ATOM 817 CG LEU A 552 -3.815 6.937 0.825 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.277 7.083 0.492 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.243 5.686 0.186 1.00 0.42 C ATOM 0 H LEU A 552 -1.405 8.567 2.432 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.257 7.244 -0.202 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.388 9.016 1.004 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.396 8.421 -0.644 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.691 6.830 1.903 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -5.814 6.191 0.814 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.682 7.956 1.005 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.394 7.208 -0.584 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -3.796 4.814 0.535 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.328 5.760 -0.898 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.193 5.584 0.461 1.00 0.42 H new ATOM 831 N MET A 553 -0.267 9.231 -1.327 1.00 0.18 N ATOM 832 CA MET A 553 0.338 10.395 -1.944 1.00 0.26 C ATOM 833 C MET A 553 -0.425 10.720 -3.210 1.00 0.26 C ATOM 834 O MET A 553 -0.037 10.340 -4.314 1.00 0.25 O ATOM 835 CB MET A 553 1.810 10.140 -2.274 1.00 0.35 C ATOM 836 CG MET A 553 2.662 9.782 -1.069 1.00 0.56 C ATOM 837 SD MET A 553 4.381 9.474 -1.511 1.00 1.03 S ATOM 838 CE MET A 553 4.210 8.082 -2.620 1.00 0.80 C ATOM 0 H MET A 553 -0.105 8.348 -1.812 1.00 0.18 H new ATOM 0 HA MET A 553 0.293 11.233 -1.248 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.873 9.332 -3.003 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.225 11.030 -2.747 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.616 10.592 -0.341 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.250 8.896 -0.586 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.992 7.352 -2.411 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.234 7.620 -2.476 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.300 8.425 -3.651 1.00 0.80 H new ATOM 848 N LYS A 554 -1.522 11.430 -3.018 1.00 0.32 N ATOM 849 CA LYS A 554 -2.359 11.898 -4.115 1.00 0.37 C ATOM 850 C LYS A 554 -1.559 12.673 -5.158 1.00 0.38 C ATOM 851 O LYS A 554 -1.919 12.690 -6.335 1.00 0.40 O ATOM 852 CB LYS A 554 -3.505 12.772 -3.580 1.00 0.47 C ATOM 853 CG LYS A 554 -3.875 12.533 -2.113 1.00 0.43 C ATOM 854 CD LYS A 554 -4.276 11.089 -1.823 1.00 0.37 C ATOM 855 CE LYS A 554 -4.823 10.930 -0.409 1.00 0.39 C ATOM 856 NZ LYS A 554 -3.952 11.575 0.614 1.00 1.03 N ATOM 0 H LYS A 554 -1.861 11.701 -2.095 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.772 11.015 -4.603 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -3.230 13.820 -3.703 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.389 12.600 -4.194 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -3.027 12.802 -1.483 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.698 13.194 -1.840 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.029 10.769 -2.543 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.412 10.438 -1.955 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.821 11.364 -0.358 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -4.925 9.869 -0.179 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -4.280 11.312 1.565 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -2.971 11.255 0.486 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -3.996 12.608 0.506 1.00 1.03 H new ATOM 870 N SER A 555 -0.471 13.302 -4.737 1.00 0.40 N ATOM 871 CA SER A 555 0.291 14.164 -5.617 1.00 0.44 C ATOM 872 C SER A 555 1.015 13.361 -6.701 1.00 0.38 C ATOM 873 O SER A 555 1.039 13.758 -7.867 1.00 0.38 O ATOM 874 CB SER A 555 1.284 14.980 -4.790 1.00 0.51 C ATOM 875 OG SER A 555 2.135 14.129 -4.038 1.00 0.50 O ATOM 0 H SER A 555 -0.099 13.229 -3.790 1.00 0.40 H new ATOM 0 HA SER A 555 -0.397 14.840 -6.125 1.00 0.44 H new ATOM 0 HB2 SER A 555 1.882 15.609 -5.449 1.00 0.51 H new ATOM 0 HB3 SER A 555 0.743 15.646 -4.118 1.00 0.51 H new ATOM 0 HG SER A 555 2.763 14.672 -3.518 1.00 0.50 H new ATOM 881 N THR A 556 1.607 12.233 -6.319 1.00 0.34 N ATOM 882 CA THR A 556 2.371 11.419 -7.255 1.00 0.32 C ATOM 883 C THR A 556 1.571 10.231 -7.786 1.00 0.27 C ATOM 884 O THR A 556 2.106 9.402 -8.519 1.00 0.28 O ATOM 885 CB THR A 556 3.664 10.896 -6.598 1.00 0.36 C ATOM 886 OG1 THR A 556 3.356 10.213 -5.376 1.00 0.34 O ATOM 887 CG2 THR A 556 4.631 12.030 -6.312 1.00 0.45 C ATOM 0 H THR A 556 1.572 11.863 -5.369 1.00 0.34 H new ATOM 0 HA THR A 556 2.615 12.069 -8.095 1.00 0.32 H new ATOM 0 HB THR A 556 4.136 10.204 -7.295 1.00 0.36 H new ATOM 0 HG1 THR A 556 4.185 10.024 -4.889 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.533 11.631 -5.849 1.00 0.45 H new ATOM 0 HG22 THR A 556 4.892 12.529 -7.245 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.163 12.746 -5.636 1.00 0.45 H new ATOM 895 N ASN A 557 0.286 10.171 -7.425 1.00 0.26 N ATOM 896 CA ASN A 557 -0.590 9.056 -7.815 1.00 0.26 C ATOM 897 C ASN A 557 -0.030 7.735 -7.288 1.00 0.21 C ATOM 898 O ASN A 557 -0.097 6.691 -7.946 1.00 0.25 O ATOM 899 CB ASN A 557 -0.753 8.992 -9.343 1.00 0.31 C ATOM 900 CG ASN A 557 -1.436 10.222 -9.918 1.00 0.38 C ATOM 901 OD1 ASN A 557 -2.662 10.271 -10.050 1.00 1.09 O ATOM 902 ND2 ASN A 557 -0.645 11.223 -10.275 1.00 1.28 N ATOM 0 H ASN A 557 -0.175 10.884 -6.860 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.573 9.225 -7.375 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.229 8.879 -9.803 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.331 8.106 -9.605 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -1.045 12.072 -10.675 1.00 1.28 H new ATOM 0 HD22 ASN A 557 0.364 11.145 -10.150 1.00 1.28 H new ATOM 909 N GLN A 558 0.497 7.794 -6.072 1.00 0.17 N ATOM 910 CA GLN A 558 1.168 6.658 -5.457 1.00 0.17 C ATOM 911 C GLN A 558 0.826 6.595 -3.977 1.00 0.16 C ATOM 912 O GLN A 558 0.279 7.547 -3.427 1.00 0.20 O ATOM 913 CB GLN A 558 2.682 6.778 -5.635 1.00 0.22 C ATOM 914 CG GLN A 558 3.134 6.765 -7.084 1.00 0.29 C ATOM 915 CD GLN A 558 4.619 7.019 -7.226 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.407 6.661 -6.348 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.009 7.643 -8.323 1.00 0.84 N ATOM 0 H GLN A 558 0.471 8.629 -5.486 1.00 0.17 H new ATOM 0 HA GLN A 558 0.828 5.744 -5.943 1.00 0.17 H new ATOM 0 HB2 GLN A 558 3.021 7.702 -5.167 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.166 5.957 -5.106 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.888 5.801 -7.530 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.583 7.523 -7.641 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.322 7.921 -9.023 1.00 0.84 H new ATOM 0 HE22 GLN A 558 5.998 7.847 -8.470 1.00 0.84 H new ATOM 926 N ALA A 559 1.128 5.479 -3.328 1.00 0.15 N ATOM 927 CA ALA A 559 0.809 5.318 -1.922 1.00 0.14 C ATOM 928 C ALA A 559 1.692 4.264 -1.255 1.00 0.14 C ATOM 929 O ALA A 559 2.398 3.508 -1.919 1.00 0.16 O ATOM 930 CB ALA A 559 -0.654 4.965 -1.763 1.00 0.15 C ATOM 0 H ALA A 559 1.592 4.676 -3.753 1.00 0.15 H new ATOM 0 HA ALA A 559 1.006 6.266 -1.422 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.887 4.846 -0.705 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.268 5.762 -2.182 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -0.862 4.033 -2.288 1.00 0.15 H new ATOM 936 N PHE A 560 1.673 4.261 0.063 1.00 0.14 N ATOM 937 CA PHE A 560 2.396 3.270 0.848 1.00 0.15 C ATOM 938 C PHE A 560 1.436 2.489 1.730 1.00 0.14 C ATOM 939 O PHE A 560 0.466 3.045 2.250 1.00 0.16 O ATOM 940 CB PHE A 560 3.463 3.928 1.726 1.00 0.16 C ATOM 941 CG PHE A 560 4.607 4.537 0.967 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.631 3.742 0.480 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.668 5.905 0.757 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.693 4.298 -0.205 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.728 6.466 0.071 1.00 0.35 C ATOM 946 CZ PHE A 560 6.742 5.662 -0.410 1.00 0.30 C ATOM 0 H PHE A 560 1.159 4.942 0.622 1.00 0.14 H new ATOM 0 HA PHE A 560 2.886 2.592 0.149 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.991 4.703 2.330 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.858 3.182 2.416 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.598 2.674 0.638 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.879 6.539 1.133 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.485 3.666 -0.580 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.763 7.534 -0.089 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.572 6.099 -0.945 1.00 0.30 H new ATOM 956 N LEU A 561 1.714 1.206 1.898 1.00 0.14 N ATOM 957 CA LEU A 561 0.893 0.343 2.729 1.00 0.14 C ATOM 958 C LEU A 561 1.782 -0.511 3.629 1.00 0.16 C ATOM 959 O LEU A 561 2.595 -1.296 3.152 1.00 0.18 O ATOM 960 CB LEU A 561 0.015 -0.542 1.834 1.00 0.15 C ATOM 961 CG LEU A 561 -0.882 -1.550 2.551 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.919 -0.833 3.404 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.559 -2.462 1.534 1.00 0.20 C ATOM 0 H LEU A 561 2.510 0.737 1.465 1.00 0.14 H new ATOM 0 HA LEU A 561 0.248 0.951 3.363 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.616 0.106 1.226 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.665 -1.088 1.150 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.265 -2.160 3.211 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.548 -1.568 3.906 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.415 -0.217 4.149 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.538 -0.200 2.768 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.196 -3.177 2.054 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.165 -1.863 0.855 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.800 -2.999 0.965 1.00 0.20 H new ATOM 975 N GLU A 562 1.628 -0.330 4.927 1.00 0.17 N ATOM 976 CA GLU A 562 2.398 -1.085 5.905 1.00 0.20 C ATOM 977 C GLU A 562 1.538 -2.185 6.508 1.00 0.18 C ATOM 978 O GLU A 562 0.373 -1.966 6.855 1.00 0.18 O ATOM 979 CB GLU A 562 2.933 -0.160 6.995 1.00 0.27 C ATOM 980 CG GLU A 562 4.389 -0.412 7.360 1.00 0.57 C ATOM 981 CD GLU A 562 4.611 -1.747 8.035 1.00 1.17 C ATOM 982 OE1 GLU A 562 4.797 -2.759 7.328 1.00 2.09 O ATOM 983 OE2 GLU A 562 4.617 -1.787 9.283 1.00 1.21 O ATOM 0 H GLU A 562 0.973 0.338 5.333 1.00 0.17 H new ATOM 0 HA GLU A 562 3.249 -1.544 5.403 1.00 0.20 H new ATOM 0 HB2 GLU A 562 2.825 0.873 6.666 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.320 -0.275 7.889 1.00 0.27 H new ATOM 0 HG2 GLU A 562 4.997 -0.363 6.457 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.734 0.384 8.020 1.00 0.57 H new ATOM 990 N MET A 563 2.125 -3.359 6.637 1.00 0.25 N ATOM 991 CA MET A 563 1.387 -4.556 6.987 1.00 0.23 C ATOM 992 C MET A 563 1.963 -5.165 8.257 1.00 0.27 C ATOM 993 O MET A 563 3.071 -4.820 8.647 1.00 0.39 O ATOM 994 CB MET A 563 1.459 -5.538 5.822 1.00 0.25 C ATOM 995 CG MET A 563 1.081 -4.891 4.497 1.00 0.25 C ATOM 996 SD MET A 563 1.620 -5.846 3.072 1.00 0.31 S ATOM 997 CE MET A 563 1.166 -4.751 1.726 1.00 0.25 C ATOM 0 H MET A 563 3.125 -3.509 6.502 1.00 0.25 H new ATOM 0 HA MET A 563 0.342 -4.312 7.178 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.469 -5.941 5.752 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.793 -6.379 6.016 1.00 0.25 H new ATOM 0 HG2 MET A 563 -0.001 -4.765 4.456 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.520 -3.894 4.447 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.391 -5.232 0.774 1.00 0.25 H new ATOM 0 HE2 MET A 563 0.100 -4.532 1.779 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.732 -3.823 1.806 1.00 0.25 H new ATOM 1007 N ALA A 564 1.234 -6.060 8.904 1.00 0.28 N ATOM 1008 CA ALA A 564 1.659 -6.575 10.198 1.00 0.33 C ATOM 1009 C ALA A 564 2.907 -7.438 10.069 1.00 0.27 C ATOM 1010 O ALA A 564 3.824 -7.360 10.896 1.00 0.40 O ATOM 1011 CB ALA A 564 0.530 -7.359 10.848 1.00 0.50 C ATOM 0 H ALA A 564 0.353 -6.443 8.560 1.00 0.28 H new ATOM 0 HA ALA A 564 1.909 -5.726 10.834 1.00 0.33 H new ATOM 0 HB1 ALA A 564 0.860 -7.739 11.815 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.332 -6.707 10.990 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.251 -8.195 10.206 1.00 0.50 H new ATOM 1017 N TYR A 565 2.941 -8.257 9.030 1.00 0.27 N ATOM 1018 CA TYR A 565 4.061 -9.153 8.795 1.00 0.37 C ATOM 1019 C TYR A 565 4.518 -9.073 7.344 1.00 0.33 C ATOM 1020 O TYR A 565 3.715 -8.860 6.435 1.00 0.29 O ATOM 1021 CB TYR A 565 3.669 -10.591 9.145 1.00 0.55 C ATOM 1022 CG TYR A 565 3.368 -10.804 10.612 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.073 -10.678 11.100 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.379 -11.125 11.508 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.796 -10.862 12.441 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.108 -11.313 12.849 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.817 -11.180 13.309 1.00 0.98 C ATOM 1028 OH TYR A 565 2.545 -11.362 14.646 1.00 1.15 O ATOM 0 H TYR A 565 2.200 -8.319 8.332 1.00 0.27 H new ATOM 0 HA TYR A 565 4.888 -8.845 9.435 1.00 0.37 H new ATOM 0 HB2 TYR A 565 2.793 -10.871 8.560 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.477 -11.260 8.849 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.270 -10.432 10.420 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.393 -11.229 11.151 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.785 -10.757 12.806 1.00 0.90 H new ATOM 0 HE2 TYR A 565 4.905 -11.563 13.534 1.00 1.00 H new ATOM 0 HH TYR A 565 3.373 -11.582 15.121 1.00 1.15 H new ATOM 1038 N THR A 566 5.822 -9.247 7.151 1.00 0.39 N ATOM 1039 CA THR A 566 6.442 -9.198 5.829 1.00 0.40 C ATOM 1040 C THR A 566 5.828 -10.243 4.892 1.00 0.36 C ATOM 1041 O THR A 566 5.806 -10.065 3.672 1.00 0.35 O ATOM 1042 CB THR A 566 7.977 -9.398 5.923 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.590 -9.193 4.644 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.328 -10.789 6.436 1.00 0.57 C ATOM 0 H THR A 566 6.481 -9.427 7.908 1.00 0.39 H new ATOM 0 HA THR A 566 6.249 -8.209 5.414 1.00 0.40 H new ATOM 0 HB THR A 566 8.358 -8.662 6.631 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.558 -9.321 4.721 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.412 -10.894 6.489 1.00 0.57 H new ATOM 0 HG22 THR A 566 7.901 -10.929 7.429 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.923 -11.540 5.757 1.00 0.57 H new ATOM 1052 N GLU A 567 5.322 -11.327 5.477 1.00 0.38 N ATOM 1053 CA GLU A 567 4.656 -12.383 4.725 1.00 0.40 C ATOM 1054 C GLU A 567 3.442 -11.847 3.969 1.00 0.31 C ATOM 1055 O GLU A 567 3.107 -12.332 2.890 1.00 0.32 O ATOM 1056 CB GLU A 567 4.242 -13.516 5.659 1.00 0.49 C ATOM 1057 CG GLU A 567 3.247 -13.100 6.730 1.00 0.55 C ATOM 1058 CD GLU A 567 3.079 -14.169 7.786 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.864 -14.175 8.754 1.00 0.89 O ATOM 1060 OE2 GLU A 567 2.146 -14.991 7.661 1.00 0.84 O ATOM 0 H GLU A 567 5.363 -11.496 6.482 1.00 0.38 H new ATOM 0 HA GLU A 567 5.363 -12.769 3.990 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.808 -14.321 5.067 1.00 0.49 H new ATOM 0 HB3 GLU A 567 5.132 -13.920 6.141 1.00 0.49 H new ATOM 0 HG2 GLU A 567 3.583 -12.175 7.199 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.282 -12.891 6.268 1.00 0.55 H new ATOM 1067 N ALA A 568 2.791 -10.840 4.536 1.00 0.26 N ATOM 1068 CA ALA A 568 1.611 -10.259 3.916 1.00 0.24 C ATOM 1069 C ALA A 568 2.019 -9.429 2.711 1.00 0.21 C ATOM 1070 O ALA A 568 1.350 -9.440 1.681 1.00 0.22 O ATOM 1071 CB ALA A 568 0.842 -9.410 4.912 1.00 0.25 C ATOM 0 H ALA A 568 3.060 -10.411 5.421 1.00 0.26 H new ATOM 0 HA ALA A 568 0.956 -11.065 3.586 1.00 0.24 H new ATOM 0 HB1 ALA A 568 -0.037 -8.985 4.426 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.528 -10.029 5.752 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.481 -8.605 5.274 1.00 0.25 H new ATOM 1077 N ALA A 569 3.148 -8.742 2.843 1.00 0.19 N ATOM 1078 CA ALA A 569 3.639 -7.858 1.799 1.00 0.21 C ATOM 1079 C ALA A 569 3.980 -8.641 0.546 1.00 0.22 C ATOM 1080 O ALA A 569 3.596 -8.266 -0.559 1.00 0.24 O ATOM 1081 CB ALA A 569 4.861 -7.098 2.289 1.00 0.23 C ATOM 0 H ALA A 569 3.743 -8.783 3.671 1.00 0.19 H new ATOM 0 HA ALA A 569 2.851 -7.146 1.555 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.220 -6.439 1.499 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.594 -6.504 3.163 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.646 -7.805 2.557 1.00 0.23 H new ATOM 1087 N GLN A 570 4.671 -9.755 0.734 1.00 0.24 N ATOM 1088 CA GLN A 570 5.060 -10.594 -0.384 1.00 0.28 C ATOM 1089 C GLN A 570 3.835 -11.259 -0.997 1.00 0.27 C ATOM 1090 O GLN A 570 3.727 -11.371 -2.217 1.00 0.29 O ATOM 1091 CB GLN A 570 6.091 -11.641 0.052 1.00 0.34 C ATOM 1092 CG GLN A 570 5.650 -12.486 1.235 1.00 0.38 C ATOM 1093 CD GLN A 570 6.699 -13.489 1.669 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.898 -13.261 1.507 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.258 -14.603 2.229 1.00 1.04 N ATOM 0 H GLN A 570 4.972 -10.096 1.647 1.00 0.24 H new ATOM 0 HA GLN A 570 5.525 -9.964 -1.143 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.305 -12.298 -0.791 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.022 -11.135 0.307 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.412 -11.831 2.073 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.734 -13.016 0.975 1.00 0.38 H new ATOM 0 HE21 GLN A 570 5.256 -14.753 2.345 1.00 1.04 H new ATOM 0 HE22 GLN A 570 6.920 -15.312 2.545 1.00 1.04 H new ATOM 1104 N ALA A 571 2.895 -11.665 -0.143 1.00 0.26 N ATOM 1105 CA ALA A 571 1.689 -12.346 -0.587 1.00 0.27 C ATOM 1106 C ALA A 571 0.852 -11.452 -1.491 1.00 0.25 C ATOM 1107 O ALA A 571 0.350 -11.898 -2.524 1.00 0.27 O ATOM 1108 CB ALA A 571 0.870 -12.800 0.613 1.00 0.31 C ATOM 0 H ALA A 571 2.951 -11.530 0.867 1.00 0.26 H new ATOM 0 HA ALA A 571 1.988 -13.221 -1.164 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.030 -13.308 0.268 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.463 -13.484 1.220 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.590 -11.933 1.212 1.00 0.31 H new ATOM 1114 N MET A 572 0.705 -10.188 -1.104 1.00 0.25 N ATOM 1115 CA MET A 572 -0.069 -9.243 -1.900 1.00 0.28 C ATOM 1116 C MET A 572 0.612 -8.995 -3.235 1.00 0.24 C ATOM 1117 O MET A 572 -0.039 -9.003 -4.279 1.00 0.24 O ATOM 1118 CB MET A 572 -0.264 -7.917 -1.162 1.00 0.37 C ATOM 1119 CG MET A 572 -0.877 -8.074 0.216 1.00 0.47 C ATOM 1120 SD MET A 572 -1.374 -6.507 0.941 1.00 0.36 S ATOM 1121 CE MET A 572 -1.443 -6.964 2.672 1.00 0.33 C ATOM 0 H MET A 572 1.108 -9.798 -0.252 1.00 0.25 H new ATOM 0 HA MET A 572 -1.051 -9.683 -2.072 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.701 -7.418 -1.067 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.901 -7.267 -1.762 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.745 -8.730 0.150 1.00 0.47 H new ATOM 0 HG3 MET A 572 -0.159 -8.562 0.875 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.384 -6.067 3.288 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.380 -7.482 2.874 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.607 -7.622 2.908 1.00 0.33 H new ATOM 1131 N VAL A 573 1.928 -8.805 -3.204 1.00 0.24 N ATOM 1132 CA VAL A 573 2.686 -8.575 -4.425 1.00 0.27 C ATOM 1133 C VAL A 573 2.516 -9.750 -5.380 1.00 0.25 C ATOM 1134 O VAL A 573 2.214 -9.561 -6.553 1.00 0.28 O ATOM 1135 CB VAL A 573 4.191 -8.356 -4.140 1.00 0.31 C ATOM 1136 CG1 VAL A 573 4.977 -8.226 -5.436 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.400 -7.126 -3.271 1.00 0.32 C ATOM 0 H VAL A 573 2.487 -8.806 -2.351 1.00 0.24 H new ATOM 0 HA VAL A 573 2.294 -7.667 -4.882 1.00 0.27 H new ATOM 0 HB VAL A 573 4.560 -9.229 -3.601 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.032 -8.073 -5.208 1.00 0.34 H new ATOM 0 HG12 VAL A 573 4.861 -9.136 -6.024 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.602 -7.376 -6.005 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.465 -6.990 -3.083 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.007 -6.248 -3.783 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.878 -7.257 -2.323 1.00 0.32 H new ATOM 1147 N GLN A 574 2.654 -10.964 -4.853 1.00 0.23 N ATOM 1148 CA GLN A 574 2.520 -12.169 -5.665 1.00 0.25 C ATOM 1149 C GLN A 574 1.125 -12.261 -6.268 1.00 0.23 C ATOM 1150 O GLN A 574 0.961 -12.676 -7.417 1.00 0.26 O ATOM 1151 CB GLN A 574 2.794 -13.423 -4.829 1.00 0.28 C ATOM 1152 CG GLN A 574 4.203 -13.496 -4.259 1.00 0.33 C ATOM 1153 CD GLN A 574 5.280 -13.368 -5.317 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.714 -14.358 -5.907 1.00 2.04 O ATOM 1155 NE2 GLN A 574 5.732 -12.147 -5.551 1.00 2.09 N ATOM 0 H GLN A 574 2.858 -11.139 -3.869 1.00 0.23 H new ATOM 0 HA GLN A 574 3.254 -12.108 -6.468 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.079 -13.462 -4.007 1.00 0.28 H new ATOM 0 HB3 GLN A 574 2.618 -14.304 -5.447 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.331 -12.704 -3.521 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.328 -14.444 -3.735 1.00 0.33 H new ATOM 0 HE21 GLN A 574 5.345 -11.353 -5.040 1.00 2.09 H new ATOM 0 HE22 GLN A 574 6.467 -11.999 -6.242 1.00 2.09 H new ATOM 1164 N TYR A 575 0.128 -11.869 -5.487 1.00 0.20 N ATOM 1165 CA TYR A 575 -1.256 -11.938 -5.931 1.00 0.20 C ATOM 1166 C TYR A 575 -1.522 -10.925 -7.041 1.00 0.20 C ATOM 1167 O TYR A 575 -2.001 -11.285 -8.110 1.00 0.22 O ATOM 1168 CB TYR A 575 -2.208 -11.697 -4.755 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.671 -11.764 -5.131 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.440 -10.610 -5.228 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -4.283 -12.982 -5.397 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.775 -10.671 -5.576 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.617 -13.050 -5.745 1.00 0.40 C ATOM 1174 CZ TYR A 575 -6.359 -11.893 -5.834 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.689 -11.958 -6.185 1.00 0.48 O ATOM 0 H TYR A 575 0.252 -11.500 -4.544 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.435 -12.937 -6.328 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -2.007 -12.437 -3.980 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.998 -10.718 -4.324 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.986 -9.651 -5.028 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.705 -13.892 -5.330 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.359 -9.765 -5.646 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -6.077 -14.006 -5.947 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.943 -12.893 -6.334 1.00 0.48 H new ATOM 1185 N TYR A 576 -1.180 -9.666 -6.786 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.453 -8.586 -7.733 1.00 0.25 C ATOM 1187 C TYR A 576 -0.558 -8.644 -8.967 1.00 0.30 C ATOM 1188 O TYR A 576 -0.816 -7.955 -9.954 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.367 -7.225 -7.039 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.425 -7.062 -5.967 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.774 -7.081 -6.282 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.067 -6.856 -4.641 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.739 -6.900 -5.309 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.024 -6.680 -3.661 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.376 -6.829 -3.999 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.312 -6.514 -3.030 1.00 0.35 O ATOM 0 H TYR A 576 -0.712 -9.366 -5.930 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.473 -8.725 -8.092 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.379 -7.108 -6.593 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.478 -6.433 -7.780 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -4.077 -7.240 -7.306 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.021 -6.833 -4.371 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.779 -6.815 -5.588 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.735 -6.432 -2.650 1.00 0.36 H new ATOM 0 HH TYR A 576 -4.935 -6.687 -2.142 1.00 0.35 H new ATOM 1206 N GLN A 577 0.495 -9.448 -8.915 1.00 0.31 N ATOM 1207 CA GLN A 577 1.295 -9.695 -10.107 1.00 0.38 C ATOM 1208 C GLN A 577 0.481 -10.478 -11.127 1.00 0.37 C ATOM 1209 O GLN A 577 0.505 -10.176 -12.319 1.00 0.42 O ATOM 1210 CB GLN A 577 2.582 -10.455 -9.781 1.00 0.45 C ATOM 1211 CG GLN A 577 3.640 -9.606 -9.102 1.00 0.52 C ATOM 1212 CD GLN A 577 4.913 -10.375 -8.816 1.00 1.04 C ATOM 1213 OE1 GLN A 577 4.891 -11.587 -8.581 1.00 1.89 O ATOM 1214 NE2 GLN A 577 6.035 -9.678 -8.844 1.00 1.57 N ATOM 0 H GLN A 577 0.812 -9.933 -8.076 1.00 0.31 H new ATOM 0 HA GLN A 577 1.574 -8.727 -10.522 1.00 0.38 H new ATOM 0 HB2 GLN A 577 2.340 -11.301 -9.137 1.00 0.45 H new ATOM 0 HB3 GLN A 577 2.995 -10.864 -10.703 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.873 -8.749 -9.734 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.240 -9.213 -8.167 1.00 0.52 H new ATOM 0 HE21 GLN A 577 6.009 -8.678 -9.042 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.927 -10.140 -8.667 1.00 1.57 H new ATOM 1223 N GLU A 578 -0.249 -11.477 -10.649 1.00 0.35 N ATOM 1224 CA GLU A 578 -1.068 -12.298 -11.527 1.00 0.38 C ATOM 1225 C GLU A 578 -2.485 -11.741 -11.642 1.00 0.33 C ATOM 1226 O GLU A 578 -3.079 -11.753 -12.721 1.00 0.36 O ATOM 1227 CB GLU A 578 -1.097 -13.739 -11.016 1.00 0.42 C ATOM 1228 CG GLU A 578 0.282 -14.366 -10.913 1.00 0.52 C ATOM 1229 CD GLU A 578 0.237 -15.838 -10.573 1.00 1.24 C ATOM 1230 OE1 GLU A 578 0.144 -16.178 -9.376 1.00 2.14 O ATOM 1231 OE2 GLU A 578 0.308 -16.667 -11.501 1.00 1.31 O ATOM 0 H GLU A 578 -0.290 -11.737 -9.663 1.00 0.35 H new ATOM 0 HA GLU A 578 -0.625 -12.283 -12.523 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -1.573 -13.760 -10.035 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -1.714 -14.342 -11.683 1.00 0.42 H new ATOM 0 HG2 GLU A 578 0.807 -14.233 -11.859 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.858 -13.840 -10.152 1.00 0.52 H new ATOM 1238 N LYS A 579 -3.023 -11.242 -10.536 1.00 0.29 N ATOM 1239 CA LYS A 579 -4.330 -10.598 -10.536 1.00 0.28 C ATOM 1240 C LYS A 579 -4.231 -9.224 -9.883 1.00 0.25 C ATOM 1241 O LYS A 579 -4.370 -9.101 -8.664 1.00 0.24 O ATOM 1242 CB LYS A 579 -5.350 -11.447 -9.770 1.00 0.31 C ATOM 1243 CG LYS A 579 -5.574 -12.832 -10.358 1.00 0.42 C ATOM 1244 CD LYS A 579 -6.590 -13.627 -9.548 1.00 0.69 C ATOM 1245 CE LYS A 579 -7.985 -13.023 -9.630 1.00 1.69 C ATOM 1246 NZ LYS A 579 -8.525 -13.043 -11.016 1.00 2.46 N ATOM 0 H LYS A 579 -2.571 -11.272 -9.622 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.660 -10.492 -11.570 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -5.016 -11.552 -8.738 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -6.302 -10.917 -9.745 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.921 -12.739 -11.387 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -4.628 -13.373 -10.388 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -6.618 -14.655 -9.911 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.272 -13.665 -8.506 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -8.657 -13.574 -8.972 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -7.956 -11.995 -9.268 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -9.543 -12.832 -10.995 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -8.035 -12.328 -11.590 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -8.375 -13.984 -11.433 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.987 -8.173 -10.675 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.828 -6.810 -10.157 1.00 0.25 C ATOM 1262 C PRO A 580 -5.134 -6.227 -9.622 1.00 0.22 C ATOM 1263 O PRO A 580 -6.225 -6.699 -9.954 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.361 -6.018 -11.378 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.880 -6.778 -12.545 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.849 -8.225 -12.142 1.00 0.32 C ATOM 0 HA PRO A 580 -3.137 -6.779 -9.315 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.752 -5.001 -11.363 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.274 -5.941 -11.408 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.893 -6.464 -12.796 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -3.265 -6.605 -13.428 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.661 -8.788 -12.602 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.918 -8.706 -12.441 1.00 0.32 H new ATOM 1274 N ALA A 581 -5.022 -5.199 -8.795 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.197 -4.507 -8.292 1.00 0.22 C ATOM 1276 C ALA A 581 -6.523 -3.349 -9.217 1.00 0.20 C ATOM 1277 O ALA A 581 -5.653 -2.552 -9.541 1.00 0.19 O ATOM 1278 CB ALA A 581 -5.962 -4.006 -6.877 1.00 0.27 C ATOM 0 H ALA A 581 -4.133 -4.827 -8.460 1.00 0.22 H new ATOM 0 HA ALA A 581 -7.038 -5.200 -8.265 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.854 -3.491 -6.520 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.745 -4.851 -6.223 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.118 -3.316 -6.871 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.759 -3.278 -9.667 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.141 -2.290 -10.658 1.00 0.26 C ATOM 1286 C ILE A 582 -8.869 -1.117 -10.015 1.00 0.28 C ATOM 1287 O ILE A 582 -9.903 -1.291 -9.364 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.031 -2.914 -11.754 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.345 -4.145 -12.355 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.326 -1.889 -12.840 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.184 -4.872 -13.387 1.00 0.51 C ATOM 0 H ILE A 582 -8.516 -3.891 -9.364 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.222 -1.924 -11.117 1.00 0.26 H new ATOM 0 HB ILE A 582 -9.974 -3.225 -11.305 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -7.406 -3.837 -12.816 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.094 -4.838 -11.552 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -9.954 -2.342 -13.607 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -9.844 -1.035 -12.403 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -8.391 -1.555 -13.289 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -8.631 -5.731 -13.766 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.112 -5.212 -12.927 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -9.414 -4.196 -14.211 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.316 0.074 -10.202 1.00 0.28 N ATOM 1304 CA ILE A 583 -8.930 1.302 -9.727 1.00 0.33 C ATOM 1305 C ILE A 583 -9.047 2.279 -10.884 1.00 0.36 C ATOM 1306 O ILE A 583 -8.035 2.681 -11.459 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.110 1.963 -8.598 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.104 1.091 -7.342 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -8.665 3.345 -8.279 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.468 0.924 -6.712 1.00 0.51 C ATOM 0 H ILE A 583 -7.430 0.214 -10.687 1.00 0.28 H new ATOM 0 HA ILE A 583 -9.912 1.049 -9.327 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.082 2.068 -8.944 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -7.707 0.108 -7.595 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.426 1.529 -6.609 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.077 3.798 -7.481 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -8.614 3.972 -9.169 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -9.703 3.255 -7.958 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.385 0.294 -5.827 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -9.859 1.901 -6.427 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.145 0.457 -7.428 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.278 2.628 -11.244 1.00 0.41 N ATOM 1323 CA ASN A 584 -10.540 3.546 -12.354 1.00 0.47 C ATOM 1324 C ASN A 584 -9.957 2.991 -13.645 1.00 0.45 C ATOM 1325 O ASN A 584 -9.510 3.735 -14.516 1.00 0.50 O ATOM 1326 CB ASN A 584 -9.953 4.936 -12.083 1.00 0.55 C ATOM 1327 CG ASN A 584 -10.607 5.654 -10.918 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -11.092 5.034 -9.971 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -10.618 6.974 -10.980 1.00 0.91 N ATOM 0 H ASN A 584 -11.119 2.286 -10.780 1.00 0.41 H new ATOM 0 HA ASN A 584 -11.621 3.643 -12.453 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -8.885 4.838 -11.886 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -10.057 5.546 -12.980 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -11.039 7.516 -10.226 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -10.206 7.450 -11.782 1.00 0.91 H new ATOM 1336 N GLY A 585 -9.958 1.672 -13.753 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.450 1.021 -14.939 1.00 0.44 C ATOM 1338 C GLY A 585 -7.936 0.947 -14.971 1.00 0.39 C ATOM 1339 O GLY A 585 -7.352 0.515 -15.965 1.00 0.42 O ATOM 0 H GLY A 585 -10.305 1.037 -13.034 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -9.859 0.012 -14.997 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -9.801 1.558 -15.820 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.292 1.360 -13.890 1.00 0.35 N ATOM 1344 CA GLU A 586 -5.843 1.301 -13.812 1.00 0.32 C ATOM 1345 C GLU A 586 -5.406 0.206 -12.850 1.00 0.24 C ATOM 1346 O GLU A 586 -5.883 0.133 -11.716 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.259 2.652 -13.392 1.00 0.43 C ATOM 1348 CG GLU A 586 -5.497 3.754 -14.412 1.00 0.57 C ATOM 1349 CD GLU A 586 -4.557 4.927 -14.236 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -3.376 4.805 -14.631 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -4.990 5.980 -13.720 1.00 1.79 O ATOM 0 H GLU A 586 -7.748 1.738 -13.059 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.460 1.064 -14.805 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -5.696 2.948 -12.439 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.187 2.542 -13.230 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -5.378 3.346 -15.416 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -6.526 4.103 -14.330 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.535 -0.667 -13.334 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.008 -1.766 -12.534 1.00 0.19 C ATOM 1360 C LYS A 587 -3.046 -1.245 -11.475 1.00 0.17 C ATOM 1361 O LYS A 587 -2.066 -0.582 -11.800 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.260 -2.759 -13.424 1.00 0.23 C ATOM 1363 CG LYS A 587 -3.941 -3.064 -14.753 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.344 -3.615 -14.571 1.00 1.14 C ATOM 1365 CE LYS A 587 -5.927 -4.081 -15.896 1.00 1.10 C ATOM 1366 NZ LYS A 587 -5.972 -2.990 -16.908 1.00 1.67 N ATOM 0 H LYS A 587 -4.174 -0.635 -14.288 1.00 0.21 H new ATOM 0 HA LYS A 587 -4.850 -2.261 -12.051 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.263 -2.367 -13.624 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.131 -3.692 -12.875 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -3.986 -2.155 -15.352 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -3.340 -3.784 -15.309 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.322 -4.447 -13.867 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -5.986 -2.848 -14.138 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -5.331 -4.908 -16.282 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -6.934 -4.464 -15.733 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -6.512 -3.308 -17.738 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -6.432 -2.153 -16.496 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -5.004 -2.746 -17.198 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.317 -1.547 -10.218 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.439 -1.136 -9.134 1.00 0.15 C ATOM 1382 C LEU A 588 -1.233 -2.058 -9.037 1.00 0.17 C ATOM 1383 O LEU A 588 -1.357 -3.278 -9.167 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.189 -1.138 -7.802 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.445 -0.272 -7.757 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -5.034 -0.278 -6.360 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.140 1.147 -8.204 1.00 0.16 C ATOM 0 H LEU A 588 -4.138 -2.075 -9.921 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.096 -0.124 -9.350 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.467 -2.164 -7.562 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.508 -0.802 -7.020 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.178 -0.691 -8.447 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -5.930 0.343 -6.340 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.294 -1.299 -6.079 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.303 0.117 -5.655 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.050 1.745 -8.163 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.390 1.583 -7.544 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -3.760 1.133 -9.226 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.074 -1.468 -8.814 1.00 0.17 N ATOM 1400 CA LEU A 589 1.150 -2.233 -8.656 1.00 0.19 C ATOM 1401 C LEU A 589 1.664 -2.118 -7.224 1.00 0.18 C ATOM 1402 O LEU A 589 2.055 -1.035 -6.783 1.00 0.18 O ATOM 1403 CB LEU A 589 2.218 -1.754 -9.645 1.00 0.23 C ATOM 1404 CG LEU A 589 3.518 -2.560 -9.642 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.254 -3.993 -10.072 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.546 -1.915 -10.556 1.00 0.38 C ATOM 0 H LEU A 589 0.047 -0.458 -8.738 1.00 0.17 H new ATOM 0 HA LEU A 589 0.932 -3.280 -8.867 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.797 -1.779 -10.650 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.454 -0.713 -9.424 1.00 0.23 H new ATOM 0 HG LEU A 589 3.915 -2.569 -8.627 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.189 -4.553 -10.065 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.548 -4.456 -9.382 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.835 -4.000 -11.078 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.465 -2.502 -10.542 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.156 -1.877 -11.573 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.756 -0.903 -10.210 1.00 0.38 H new ATOM 1418 N ILE A 590 1.628 -3.223 -6.492 1.00 0.18 N ATOM 1419 CA ILE A 590 2.169 -3.261 -5.142 1.00 0.18 C ATOM 1420 C ILE A 590 3.556 -3.900 -5.158 1.00 0.20 C ATOM 1421 O ILE A 590 3.742 -4.976 -5.726 1.00 0.26 O ATOM 1422 CB ILE A 590 1.237 -4.036 -4.176 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.166 -3.411 -4.182 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.814 -4.049 -2.766 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.099 -3.941 -3.106 1.00 0.21 C ATOM 0 H ILE A 590 1.229 -4.106 -6.812 1.00 0.18 H new ATOM 0 HA ILE A 590 2.244 -2.236 -4.780 1.00 0.18 H new ATOM 0 HB ILE A 590 1.161 -5.068 -4.519 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.069 -2.332 -4.061 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.622 -3.583 -5.157 1.00 0.19 H new ATOM 0 HG21 ILE A 590 1.144 -4.598 -2.104 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.791 -4.533 -2.777 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.920 -3.025 -2.407 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.066 -3.444 -3.186 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.231 -5.015 -3.236 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -0.670 -3.745 -2.123 1.00 0.21 H new ATOM 1437 N ARG A 591 4.525 -3.223 -4.550 1.00 0.18 N ATOM 1438 CA ARG A 591 5.917 -3.667 -4.563 1.00 0.22 C ATOM 1439 C ARG A 591 6.615 -3.285 -3.264 1.00 0.18 C ATOM 1440 O ARG A 591 6.177 -2.377 -2.558 1.00 0.19 O ATOM 1441 CB ARG A 591 6.671 -3.031 -5.738 1.00 0.33 C ATOM 1442 CG ARG A 591 6.329 -3.620 -7.097 1.00 0.45 C ATOM 1443 CD ARG A 591 6.864 -5.037 -7.248 1.00 0.65 C ATOM 1444 NE ARG A 591 8.323 -5.096 -7.110 1.00 1.33 N ATOM 1445 CZ ARG A 591 9.080 -6.079 -7.600 1.00 1.69 C ATOM 1446 NH1 ARG A 591 8.530 -7.062 -8.299 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.391 -6.069 -7.404 1.00 2.62 N ATOM 0 H ARG A 591 4.370 -2.355 -4.037 1.00 0.18 H new ATOM 0 HA ARG A 591 5.920 -4.752 -4.670 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.458 -1.962 -5.755 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.742 -3.140 -5.568 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.247 -3.624 -7.230 1.00 0.45 H new ATOM 0 HG3 ARG A 591 6.745 -2.989 -7.882 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.404 -5.679 -6.497 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.577 -5.430 -8.223 1.00 0.65 H new ATOM 0 HE ARG A 591 8.787 -4.339 -6.609 1.00 1.33 H new ATOM 0 HH11 ARG A 591 7.524 -7.069 -8.464 1.00 1.56 H new ATOM 0 HH12 ARG A 591 9.113 -7.811 -8.672 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.822 -5.309 -6.878 1.00 2.62 H new ATOM 0 HH22 ARG A 591 10.969 -6.821 -7.779 1.00 2.62 H new ATOM 1461 N MET A 592 7.705 -3.971 -2.955 1.00 0.17 N ATOM 1462 CA MET A 592 8.511 -3.625 -1.792 1.00 0.18 C ATOM 1463 C MET A 592 9.450 -2.482 -2.155 1.00 0.21 C ATOM 1464 O MET A 592 10.155 -2.554 -3.160 1.00 0.29 O ATOM 1465 CB MET A 592 9.310 -4.834 -1.294 1.00 0.19 C ATOM 1466 CG MET A 592 8.451 -5.933 -0.687 1.00 0.22 C ATOM 1467 SD MET A 592 9.431 -7.283 0.004 1.00 0.29 S ATOM 1468 CE MET A 592 8.140 -8.326 0.679 1.00 0.34 C ATOM 0 H MET A 592 8.051 -4.767 -3.490 1.00 0.17 H new ATOM 0 HA MET A 592 7.848 -3.312 -0.985 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.879 -5.249 -2.126 1.00 0.19 H new ATOM 0 HB3 MET A 592 10.032 -4.498 -0.550 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.824 -5.507 0.096 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.782 -6.329 -1.451 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.534 -9.328 0.850 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.790 -7.908 1.623 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.309 -8.378 -0.025 1.00 0.34 H new ATOM 1478 N SER A 593 9.452 -1.424 -1.354 1.00 0.23 N ATOM 1479 CA SER A 593 10.260 -0.251 -1.662 1.00 0.26 C ATOM 1480 C SER A 593 11.744 -0.544 -1.506 1.00 0.25 C ATOM 1481 O SER A 593 12.179 -1.158 -0.528 1.00 0.27 O ATOM 1482 CB SER A 593 9.867 0.930 -0.781 1.00 0.34 C ATOM 1483 OG SER A 593 10.642 2.081 -1.080 1.00 1.37 O ATOM 0 H SER A 593 8.908 -1.354 -0.494 1.00 0.23 H new ATOM 0 HA SER A 593 10.069 0.010 -2.703 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.810 1.155 -0.922 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.999 0.663 0.268 1.00 0.34 H new ATOM 0 HG SER A 593 10.203 2.596 -1.789 1.00 1.37 H new ATOM 1489 N THR A 594 12.505 -0.081 -2.479 1.00 0.27 N ATOM 1490 CA THR A 594 13.937 -0.287 -2.510 1.00 0.30 C ATOM 1491 C THR A 594 14.681 0.839 -1.799 1.00 0.31 C ATOM 1492 O THR A 594 15.871 0.725 -1.517 1.00 0.33 O ATOM 1493 CB THR A 594 14.429 -0.392 -3.963 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.876 0.681 -4.735 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.026 -1.724 -4.577 1.00 0.38 C ATOM 0 H THR A 594 12.145 0.450 -3.272 1.00 0.27 H new ATOM 0 HA THR A 594 14.146 -1.219 -1.985 1.00 0.30 H new ATOM 0 HB THR A 594 15.517 -0.326 -3.966 1.00 0.35 H new ATOM 0 HG1 THR A 594 14.191 0.614 -5.660 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.385 -1.774 -5.605 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.464 -2.538 -3.999 1.00 0.38 H new ATOM 0 HG23 THR A 594 12.940 -1.815 -4.567 1.00 0.38 H new ATOM 1503 N ARG A 595 13.977 1.928 -1.504 1.00 0.32 N ATOM 1504 CA ARG A 595 14.634 3.122 -0.983 1.00 0.37 C ATOM 1505 C ARG A 595 14.432 3.295 0.525 1.00 0.37 C ATOM 1506 O ARG A 595 15.306 3.819 1.218 1.00 0.41 O ATOM 1507 CB ARG A 595 14.120 4.357 -1.722 1.00 0.41 C ATOM 1508 CG ARG A 595 14.302 4.274 -3.228 1.00 0.46 C ATOM 1509 CD ARG A 595 13.780 5.517 -3.926 1.00 0.56 C ATOM 1510 NE ARG A 595 13.904 5.421 -5.380 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.725 6.443 -6.215 1.00 1.67 C ATOM 1512 NH1 ARG A 595 13.426 7.650 -5.745 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.857 6.258 -7.522 1.00 2.75 N ATOM 0 H ARG A 595 12.966 2.009 -1.615 1.00 0.32 H new ATOM 0 HA ARG A 595 15.704 3.002 -1.151 1.00 0.37 H new ATOM 0 HB2 ARG A 595 13.062 4.492 -1.498 1.00 0.41 H new ATOM 0 HB3 ARG A 595 14.640 5.239 -1.348 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.359 4.143 -3.460 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.781 3.396 -3.610 1.00 0.46 H new ATOM 0 HD2 ARG A 595 12.734 5.670 -3.661 1.00 0.56 H new ATOM 0 HD3 ARG A 595 14.329 6.389 -3.572 1.00 0.56 H new ATOM 0 HE ARG A 595 14.143 4.514 -5.780 1.00 1.36 H new ATOM 0 HH11 ARG A 595 13.333 7.797 -4.740 1.00 1.16 H new ATOM 0 HH12 ARG A 595 13.290 8.429 -6.389 1.00 1.16 H new ATOM 0 HH21 ARG A 595 14.095 5.335 -7.885 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.720 7.039 -8.164 1.00 2.75 H new ATOM 1527 N TYR A 596 13.300 2.832 1.038 1.00 0.35 N ATOM 1528 CA TYR A 596 12.968 3.053 2.445 1.00 0.37 C ATOM 1529 C TYR A 596 12.725 1.745 3.185 1.00 0.35 C ATOM 1530 O TYR A 596 12.300 0.748 2.597 1.00 0.36 O ATOM 1531 CB TYR A 596 11.746 3.965 2.566 1.00 0.39 C ATOM 1532 CG TYR A 596 12.022 5.398 2.169 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.806 5.838 0.869 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.506 6.310 3.097 1.00 0.54 C ATOM 1535 CE1 TYR A 596 12.064 7.146 0.506 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.765 7.620 2.743 1.00 0.61 C ATOM 1537 CZ TYR A 596 12.543 8.032 1.448 1.00 0.56 C ATOM 1538 OH TYR A 596 12.802 9.336 1.092 1.00 0.65 O ATOM 0 H TYR A 596 12.602 2.307 0.511 1.00 0.35 H new ATOM 0 HA TYR A 596 13.826 3.539 2.910 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.945 3.571 1.941 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.387 3.944 3.595 1.00 0.39 H new ATOM 0 HD1 TYR A 596 11.430 5.146 0.130 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.683 5.990 4.113 1.00 0.54 H new ATOM 0 HE1 TYR A 596 11.892 7.472 -0.509 1.00 0.54 H new ATOM 0 HE2 TYR A 596 13.140 8.317 3.478 1.00 0.61 H new ATOM 0 HH TYR A 596 13.133 9.829 1.872 1.00 0.65 H new ATOM 1548 N LYS A 597 13.009 1.764 4.485 1.00 0.38 N ATOM 1549 CA LYS A 597 12.885 0.579 5.322 1.00 0.41 C ATOM 1550 C LYS A 597 11.696 0.683 6.264 1.00 0.41 C ATOM 1551 O LYS A 597 11.166 -0.329 6.690 1.00 0.48 O ATOM 1552 CB LYS A 597 14.156 0.335 6.146 1.00 0.50 C ATOM 1553 CG LYS A 597 15.392 0.062 5.306 1.00 0.62 C ATOM 1554 CD LYS A 597 15.959 1.340 4.719 1.00 1.29 C ATOM 1555 CE LYS A 597 16.892 1.050 3.566 1.00 1.67 C ATOM 1556 NZ LYS A 597 17.437 2.297 2.969 1.00 2.18 N ATOM 0 H LYS A 597 13.329 2.595 4.982 1.00 0.38 H new ATOM 0 HA LYS A 597 12.732 -0.262 4.646 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.342 1.205 6.775 1.00 0.50 H new ATOM 0 HB3 LYS A 597 13.988 -0.511 6.813 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.150 -0.425 5.920 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.141 -0.629 4.501 1.00 0.62 H new ATOM 0 HD2 LYS A 597 15.144 1.979 4.378 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.494 1.891 5.492 1.00 1.29 H new ATOM 0 HE2 LYS A 597 17.714 0.424 3.912 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.360 0.484 2.802 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.240 2.064 2.351 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 16.696 2.767 2.411 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 17.756 2.934 3.727 1.00 2.18 H new ATOM 1570 N GLU A 598 11.262 1.896 6.577 1.00 0.38 N ATOM 1571 CA GLU A 598 10.168 2.069 7.525 1.00 0.41 C ATOM 1572 C GLU A 598 9.244 3.206 7.107 1.00 0.34 C ATOM 1573 O GLU A 598 9.667 4.160 6.454 1.00 0.33 O ATOM 1574 CB GLU A 598 10.732 2.357 8.920 1.00 0.55 C ATOM 1575 CG GLU A 598 9.672 2.467 10.005 1.00 0.62 C ATOM 1576 CD GLU A 598 10.238 2.962 11.315 1.00 0.80 C ATOM 1577 OE1 GLU A 598 11.103 2.268 11.890 1.00 0.95 O ATOM 1578 OE2 GLU A 598 9.814 4.038 11.787 1.00 0.91 O ATOM 0 H GLU A 598 11.642 2.762 6.196 1.00 0.38 H new ATOM 0 HA GLU A 598 9.588 1.146 7.541 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.431 1.565 9.189 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.300 3.286 8.886 1.00 0.55 H new ATOM 0 HG2 GLU A 598 8.885 3.145 9.673 1.00 0.62 H new ATOM 0 HG3 GLU A 598 9.210 1.492 10.158 1.00 0.62 H new ATOM 1585 N LEU A 599 7.980 3.078 7.490 1.00 0.36 N ATOM 1586 CA LEU A 599 6.985 4.106 7.237 1.00 0.32 C ATOM 1587 C LEU A 599 6.593 4.809 8.527 1.00 0.33 C ATOM 1588 O LEU A 599 6.219 4.166 9.510 1.00 0.37 O ATOM 1589 CB LEU A 599 5.748 3.501 6.569 1.00 0.33 C ATOM 1590 CG LEU A 599 6.011 2.830 5.222 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.727 2.277 4.636 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.646 3.811 4.255 1.00 0.33 C ATOM 0 H LEU A 599 7.619 2.261 7.983 1.00 0.36 H new ATOM 0 HA LEU A 599 7.423 4.842 6.563 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.310 2.767 7.245 1.00 0.33 H new ATOM 0 HB3 LEU A 599 5.007 4.288 6.429 1.00 0.33 H new ATOM 0 HG LEU A 599 6.701 2.002 5.385 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.939 1.804 3.677 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.303 1.540 5.318 1.00 0.45 H new ATOM 0 HD13 LEU A 599 4.014 3.089 4.491 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.826 3.316 3.301 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.977 4.658 4.104 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.592 4.165 4.665 1.00 0.33 H new ATOM 1604 N GLN A 600 6.707 6.125 8.526 1.00 0.36 N ATOM 1605 CA GLN A 600 6.319 6.928 9.674 1.00 0.44 C ATOM 1606 C GLN A 600 5.131 7.815 9.311 1.00 0.39 C ATOM 1607 O GLN A 600 5.191 8.564 8.337 1.00 0.43 O ATOM 1608 CB GLN A 600 7.501 7.778 10.148 1.00 0.59 C ATOM 1609 CG GLN A 600 7.186 8.667 11.341 1.00 0.85 C ATOM 1610 CD GLN A 600 8.406 9.419 11.842 1.00 1.10 C ATOM 1611 OE1 GLN A 600 9.137 8.938 12.708 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.632 10.605 11.309 1.00 1.34 N ATOM 0 H GLN A 600 7.067 6.664 7.738 1.00 0.36 H new ATOM 0 HA GLN A 600 6.024 6.266 10.488 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.328 7.118 10.409 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.840 8.403 9.322 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.411 9.382 11.063 1.00 0.85 H new ATOM 0 HG3 GLN A 600 6.782 8.057 12.149 1.00 0.85 H new ATOM 0 HE21 GLN A 600 8.004 10.971 10.593 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.435 11.156 11.613 1.00 1.34 H new ATOM 1621 N LEU A 601 4.055 7.726 10.083 1.00 0.37 N ATOM 1622 CA LEU A 601 2.852 8.498 9.791 1.00 0.34 C ATOM 1623 C LEU A 601 3.028 9.964 10.170 1.00 0.39 C ATOM 1624 O LEU A 601 2.901 10.340 11.335 1.00 0.46 O ATOM 1625 CB LEU A 601 1.631 7.920 10.517 1.00 0.36 C ATOM 1626 CG LEU A 601 1.196 6.521 10.075 1.00 0.34 C ATOM 1627 CD1 LEU A 601 -0.103 6.128 10.764 1.00 0.46 C ATOM 1628 CD2 LEU A 601 1.035 6.458 8.565 1.00 0.32 C ATOM 0 H LEU A 601 3.990 7.132 10.910 1.00 0.37 H new ATOM 0 HA LEU A 601 2.684 8.433 8.716 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.846 7.893 11.585 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.792 8.602 10.378 1.00 0.36 H new ATOM 0 HG LEU A 601 1.973 5.814 10.365 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.400 5.131 10.440 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.043 6.130 11.844 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.884 6.842 10.502 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.725 5.454 8.274 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.279 7.177 8.249 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.985 6.698 8.087 1.00 0.32 H new ATOM 1640 N LYS A 602 3.339 10.786 9.177 1.00 0.41 N ATOM 1641 CA LYS A 602 3.398 12.230 9.364 1.00 0.48 C ATOM 1642 C LYS A 602 1.989 12.798 9.327 1.00 0.46 C ATOM 1643 O LYS A 602 1.713 13.873 9.858 1.00 0.51 O ATOM 1644 CB LYS A 602 4.251 12.877 8.272 1.00 0.59 C ATOM 1645 CG LYS A 602 5.678 12.357 8.230 1.00 0.69 C ATOM 1646 CD LYS A 602 6.480 13.022 7.125 1.00 0.93 C ATOM 1647 CE LYS A 602 7.858 12.397 6.987 1.00 1.49 C ATOM 1648 NZ LYS A 602 8.637 13.011 5.882 1.00 1.73 N ATOM 0 H LYS A 602 3.555 10.476 8.230 1.00 0.41 H new ATOM 0 HA LYS A 602 3.855 12.446 10.330 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.781 12.703 7.304 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.270 13.956 8.428 1.00 0.59 H new ATOM 0 HG2 LYS A 602 6.161 12.538 9.191 1.00 0.69 H new ATOM 0 HG3 LYS A 602 5.669 11.278 8.076 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.943 12.935 6.181 1.00 0.93 H new ATOM 0 HD3 LYS A 602 6.581 14.086 7.337 1.00 0.93 H new ATOM 0 HE2 LYS A 602 8.404 12.512 7.923 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.755 11.327 6.807 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 9.496 12.451 5.710 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.058 13.031 5.018 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 8.903 13.982 6.143 1.00 1.73 H new ATOM 1662 N LYS A 603 1.105 12.057 8.677 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.300 12.409 8.609 1.00 0.48 C ATOM 1664 C LYS A 603 -1.120 11.320 9.285 1.00 0.54 C ATOM 1665 O LYS A 603 -0.920 10.134 9.018 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.748 12.568 7.154 1.00 0.58 C ATOM 1667 CG LYS A 603 0.052 13.589 6.360 1.00 0.65 C ATOM 1668 CD LYS A 603 0.048 14.951 7.033 1.00 0.79 C ATOM 1669 CE LYS A 603 0.700 16.004 6.156 1.00 0.90 C ATOM 1670 NZ LYS A 603 -0.095 16.270 4.924 1.00 1.69 N ATOM 0 H LYS A 603 1.343 11.197 8.183 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.453 13.360 9.120 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.676 11.601 6.656 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.799 12.856 7.139 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.079 13.241 6.249 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.365 13.677 5.357 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -0.978 15.245 7.256 1.00 0.79 H new ATOM 0 HD3 LYS A 603 0.576 14.890 7.985 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.813 16.929 6.722 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.702 15.676 5.878 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 0.318 17.075 4.411 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 -0.082 15.428 4.314 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 -1.077 16.493 5.186 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.040 11.704 10.181 1.00 0.67 N ATOM 1685 CA PRO A 604 -2.865 10.747 10.919 1.00 0.81 C ATOM 1686 C PRO A 604 -3.929 10.091 10.042 1.00 0.80 C ATOM 1687 O PRO A 604 -4.171 10.517 8.908 1.00 1.21 O ATOM 1688 CB PRO A 604 -3.517 11.605 12.004 1.00 1.01 C ATOM 1689 CG PRO A 604 -3.564 12.976 11.423 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.344 13.100 10.551 1.00 0.82 C ATOM 0 HA PRO A 604 -2.275 9.918 11.309 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -4.516 11.244 12.248 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -2.937 11.585 12.927 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -4.475 13.123 10.842 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -3.561 13.732 12.208 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.540 13.714 9.672 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -1.514 13.563 11.085 1.00 0.82 H new ATOM 1698 N GLY A 605 -4.562 9.060 10.575 1.00 0.68 N ATOM 1699 CA GLY A 605 -5.568 8.338 9.841 1.00 0.80 C ATOM 1700 C GLY A 605 -6.657 7.821 10.752 1.00 0.84 C ATOM 1701 O GLY A 605 -6.544 7.908 11.977 1.00 1.23 O ATOM 0 H GLY A 605 -4.391 8.709 11.517 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -6.005 8.989 9.084 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -5.106 7.503 9.315 1.00 0.80 H new ATOM 1705 N LYS A 606 -7.702 7.280 10.159 1.00 0.92 N ATOM 1706 CA LYS A 606 -8.811 6.717 10.915 1.00 1.10 C ATOM 1707 C LYS A 606 -8.464 5.313 11.395 1.00 0.81 C ATOM 1708 O LYS A 606 -7.432 4.757 11.011 1.00 0.82 O ATOM 1709 CB LYS A 606 -10.073 6.669 10.051 1.00 1.50 C ATOM 1710 CG LYS A 606 -10.507 8.026 9.519 1.00 1.82 C ATOM 1711 CD LYS A 606 -11.738 7.915 8.630 1.00 2.34 C ATOM 1712 CE LYS A 606 -12.942 7.392 9.395 1.00 2.84 C ATOM 1713 NZ LYS A 606 -14.139 7.253 8.526 1.00 3.47 N ATOM 0 H LYS A 606 -7.810 7.217 9.147 1.00 0.92 H new ATOM 0 HA LYS A 606 -8.997 7.354 11.780 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -9.900 5.998 9.210 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -10.887 6.242 10.637 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -10.720 8.693 10.354 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -9.689 8.474 8.954 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -11.972 8.893 8.209 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -11.523 7.251 7.793 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -12.699 6.425 9.835 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -13.169 8.068 10.219 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -14.936 6.894 9.088 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -14.387 8.180 8.126 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -13.932 6.588 7.754 1.00 3.47 H new ATOM 1727 N ASN A 607 -9.310 4.752 12.254 1.00 0.65 N ATOM 1728 CA ASN A 607 -9.140 3.381 12.723 1.00 0.48 C ATOM 1729 C ASN A 607 -9.149 2.398 11.557 1.00 0.43 C ATOM 1730 O ASN A 607 -10.105 2.338 10.782 1.00 0.60 O ATOM 1731 CB ASN A 607 -10.248 3.020 13.714 1.00 0.59 C ATOM 1732 CG ASN A 607 -10.164 1.583 14.194 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -9.082 0.998 14.271 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.307 1.001 14.517 1.00 1.33 N ATOM 0 H ASN A 607 -10.124 5.229 12.641 1.00 0.65 H new ATOM 0 HA ASN A 607 -8.174 3.313 13.223 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -10.193 3.689 14.573 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -11.217 3.185 13.244 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.313 0.035 14.843 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -12.183 1.519 14.440 1.00 1.33 H new ATOM 1741 N VAL A 608 -8.079 1.626 11.449 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.910 0.686 10.354 1.00 0.22 C ATOM 1743 C VAL A 608 -8.756 -0.576 10.564 1.00 0.21 C ATOM 1744 O VAL A 608 -9.163 -1.230 9.605 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.418 0.322 10.181 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.217 -0.695 9.073 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.600 1.576 9.900 1.00 0.27 C ATOM 0 H VAL A 608 -7.307 1.634 12.115 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.259 1.168 9.441 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.075 -0.129 11.112 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.156 -0.927 8.980 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.768 -1.605 9.310 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.582 -0.285 8.132 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.551 1.307 9.780 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.960 2.048 8.986 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.703 2.272 10.733 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.042 -0.905 11.819 1.00 0.28 N ATOM 1758 CA ALA A 609 -9.898 -2.052 12.129 1.00 0.33 C ATOM 1759 C ALA A 609 -11.307 -1.844 11.570 1.00 0.32 C ATOM 1760 O ALA A 609 -11.963 -2.783 11.098 1.00 0.32 O ATOM 1761 CB ALA A 609 -9.948 -2.283 13.630 1.00 0.44 C ATOM 0 H ALA A 609 -8.698 -0.400 12.636 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.472 -2.937 11.655 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.588 -3.139 13.845 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -8.942 -2.479 14.002 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.350 -1.397 14.121 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.753 -0.595 11.595 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.051 -0.235 11.043 1.00 0.35 C ATOM 1769 C ALA A 610 -13.063 -0.475 9.540 1.00 0.30 C ATOM 1770 O ALA A 610 -14.104 -0.757 8.949 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.370 1.215 11.353 1.00 0.40 C ATOM 0 H ALA A 610 -11.233 0.187 11.993 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.816 -0.861 11.502 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.343 1.471 10.934 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.390 1.360 12.433 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.606 1.857 10.915 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.886 -0.389 8.935 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.741 -0.616 7.508 1.00 0.23 C ATOM 1779 C ILE A 611 -11.943 -2.101 7.200 1.00 0.22 C ATOM 1780 O ILE A 611 -12.418 -2.465 6.124 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.356 -0.144 7.010 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.186 1.351 7.289 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.191 -0.423 5.522 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.833 1.896 6.889 1.00 0.23 C ATOM 0 H ILE A 611 -11.015 -0.162 9.415 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.500 -0.035 6.984 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.587 -0.699 7.547 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.961 1.901 6.756 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.341 1.533 8.353 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.209 -0.082 5.195 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.283 -1.494 5.340 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.963 0.107 4.965 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.788 2.961 7.117 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -8.052 1.373 7.441 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.683 1.747 5.820 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.589 -2.961 8.159 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.884 -4.389 8.052 1.00 0.24 C ATOM 1798 C ILE A 612 -13.388 -4.595 7.966 1.00 0.27 C ATOM 1799 O ILE A 612 -13.878 -5.380 7.150 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.356 -5.197 9.261 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.863 -4.954 9.479 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.620 -6.682 9.054 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.315 -5.608 10.728 1.00 0.31 C ATOM 0 H ILE A 612 -11.100 -2.693 9.013 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.382 -4.748 7.154 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.887 -4.859 10.151 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.314 -5.326 8.614 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.683 -3.880 9.533 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.244 -7.241 9.911 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.692 -6.850 8.953 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.113 -7.019 8.150 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.250 -5.391 10.815 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.837 -5.218 11.602 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.462 -6.686 10.668 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.118 -3.867 8.804 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.577 -3.911 8.772 1.00 0.35 C ATOM 1817 C GLN A 613 -16.095 -3.392 7.432 1.00 0.34 C ATOM 1818 O GLN A 613 -17.103 -3.870 6.915 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.172 -3.096 9.924 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.863 -3.668 11.300 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.343 -5.099 11.455 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -17.321 -5.516 10.831 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -15.662 -5.861 12.291 1.00 2.31 N ATOM 0 H GLN A 613 -13.727 -3.243 9.510 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.889 -4.949 8.891 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.792 -2.076 9.870 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.253 -3.040 9.798 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -14.788 -3.628 11.474 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -16.332 -3.046 12.062 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -14.858 -5.479 12.789 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -15.940 -6.831 12.439 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.375 -2.430 6.868 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.718 -1.876 5.560 1.00 0.33 C ATOM 1834 C ASP A 614 -15.561 -2.928 4.468 1.00 0.30 C ATOM 1835 O ASP A 614 -16.404 -3.035 3.576 1.00 0.34 O ATOM 1836 CB ASP A 614 -14.862 -0.652 5.221 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.320 0.603 5.933 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -14.519 1.186 6.696 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.488 1.001 5.753 1.00 1.09 O ATOM 0 H ASP A 614 -14.547 -2.015 7.296 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.761 -1.562 5.610 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -13.825 -0.856 5.486 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.889 -0.483 4.144 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.485 -3.708 4.548 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.227 -4.774 3.585 1.00 0.27 C ATOM 1846 C ILE A 615 -15.318 -5.832 3.654 1.00 0.32 C ATOM 1847 O ILE A 615 -15.847 -6.262 2.633 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.867 -5.442 3.854 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.755 -4.408 3.745 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.631 -6.587 2.877 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.417 -4.906 4.223 1.00 0.18 C ATOM 0 H ILE A 615 -13.775 -3.620 5.275 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.216 -4.324 2.592 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.869 -5.853 4.863 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.665 -4.092 2.706 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.032 -3.527 4.323 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.665 -7.047 3.082 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.419 -7.331 2.992 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.640 -6.203 1.857 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.675 -4.115 4.115 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.490 -5.195 5.272 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.117 -5.769 3.629 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.654 -6.238 4.874 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.713 -7.220 5.089 1.00 0.46 C ATOM 1865 C HIS A 616 -18.056 -6.681 4.614 1.00 0.44 C ATOM 1866 O HIS A 616 -18.895 -7.434 4.123 1.00 0.46 O ATOM 1867 CB HIS A 616 -16.806 -7.609 6.566 1.00 0.59 C ATOM 1868 CG HIS A 616 -15.761 -8.588 7.007 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -16.066 -9.827 7.527 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.412 -8.501 7.019 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -14.951 -10.458 7.839 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -13.933 -9.675 7.541 1.00 0.82 N ATOM 0 H HIS A 616 -15.209 -5.903 5.729 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.463 -8.107 4.507 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -16.724 -6.708 7.174 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -17.791 -8.034 6.757 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -13.821 -7.663 6.680 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.883 -11.448 8.266 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -12.949 -9.905 7.677 1.00 0.82 H new ATOM 1881 N SER A 617 -18.246 -5.374 4.748 1.00 0.45 N ATOM 1882 CA SER A 617 -19.470 -4.732 4.305 1.00 0.51 C ATOM 1883 C SER A 617 -19.557 -4.729 2.779 1.00 0.49 C ATOM 1884 O SER A 617 -20.653 -4.671 2.216 1.00 0.57 O ATOM 1885 CB SER A 617 -19.552 -3.306 4.855 1.00 0.58 C ATOM 1886 OG SER A 617 -19.630 -3.308 6.272 1.00 1.18 O ATOM 0 H SER A 617 -17.563 -4.739 5.162 1.00 0.45 H new ATOM 0 HA SER A 617 -20.317 -5.300 4.691 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.677 -2.739 4.537 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.426 -2.803 4.440 1.00 0.58 H new ATOM 0 HG SER A 617 -18.870 -3.805 6.641 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.388 -4.792 2.129 1.00 0.49 N ATOM 1893 CA GLN A 618 -18.279 -4.881 0.668 1.00 0.58 C ATOM 1894 C GLN A 618 -18.762 -3.600 -0.010 1.00 1.36 C ATOM 1895 O GLN A 618 -17.961 -2.802 -0.490 1.00 2.14 O ATOM 1896 CB GLN A 618 -19.060 -6.086 0.136 1.00 1.70 C ATOM 1897 CG GLN A 618 -18.561 -7.420 0.664 1.00 2.78 C ATOM 1898 CD GLN A 618 -19.450 -8.571 0.245 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -20.398 -8.927 0.948 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -19.156 -9.160 -0.902 1.00 4.68 N ATOM 0 H GLN A 618 -17.486 -4.783 2.605 1.00 0.49 H new ATOM 0 HA GLN A 618 -17.224 -5.013 0.429 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -20.111 -5.971 0.400 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -19.004 -6.092 -0.953 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.548 -7.596 0.302 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -18.509 -7.381 1.752 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -18.362 -8.834 -1.454 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -19.723 -9.940 -1.235 1.00 4.68 H new ATOM 1909 N ARG A 619 -20.072 -3.420 -0.053 1.00 2.22 N ATOM 1910 CA ARG A 619 -20.673 -2.223 -0.615 1.00 3.46 C ATOM 1911 C ARG A 619 -21.650 -1.631 0.386 1.00 4.18 C ATOM 1912 O ARG A 619 -22.840 -1.490 0.106 1.00 4.57 O ATOM 1913 CB ARG A 619 -21.384 -2.541 -1.931 1.00 4.18 C ATOM 1914 CG ARG A 619 -20.438 -2.950 -3.045 1.00 4.41 C ATOM 1915 CD ARG A 619 -21.186 -3.304 -4.317 1.00 5.33 C ATOM 1916 NE ARG A 619 -22.069 -4.453 -4.134 1.00 6.03 N ATOM 1917 CZ ARG A 619 -22.460 -5.258 -5.118 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -22.036 -5.056 -6.361 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -23.271 -6.272 -4.854 1.00 7.77 N ATOM 0 H ARG A 619 -20.747 -4.098 0.300 1.00 2.22 H new ATOM 0 HA ARG A 619 -19.888 -1.497 -0.825 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -22.103 -3.343 -1.762 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -21.951 -1.666 -2.249 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -19.741 -2.137 -3.247 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -19.844 -3.805 -2.722 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -21.773 -2.445 -4.643 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -20.470 -3.520 -5.110 1.00 5.33 H new ATOM 0 HE ARG A 619 -22.407 -4.651 -3.192 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -21.407 -4.280 -6.565 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -22.340 -5.677 -7.111 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -23.593 -6.433 -3.899 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -23.574 -6.892 -5.605 1.00 7.77 H new ATOM 1933 N GLU A 620 -21.127 -1.312 1.567 1.00 4.80 N ATOM 1934 CA GLU A 620 -21.917 -0.745 2.657 1.00 5.84 C ATOM 1935 C GLU A 620 -23.077 -1.666 3.036 1.00 6.68 C ATOM 1936 O GLU A 620 -24.247 -1.310 2.886 1.00 7.20 O ATOM 1937 CB GLU A 620 -22.439 0.647 2.287 1.00 6.43 C ATOM 1938 CG GLU A 620 -21.344 1.627 1.891 1.00 6.93 C ATOM 1939 CD GLU A 620 -20.294 1.807 2.970 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -20.513 2.620 3.895 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -19.248 1.129 2.906 1.00 7.86 O ATOM 0 H GLU A 620 -20.141 -1.440 1.796 1.00 4.80 H new ATOM 0 HA GLU A 620 -21.263 -0.649 3.523 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -23.145 0.553 1.462 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -22.991 1.055 3.134 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -20.863 1.277 0.978 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -21.793 2.594 1.664 1.00 6.93 H new ATOM 1948 N ARG A 621 -22.743 -2.861 3.501 1.00 7.11 N ATOM 1949 CA ARG A 621 -23.740 -3.805 3.980 1.00 8.13 C ATOM 1950 C ARG A 621 -24.229 -3.377 5.359 1.00 9.01 C ATOM 1951 O ARG A 621 -23.583 -3.743 6.360 1.00 9.48 O ATOM 1952 CB ARG A 621 -23.144 -5.216 4.043 1.00 8.49 C ATOM 1953 CG ARG A 621 -24.148 -6.305 4.383 1.00 8.97 C ATOM 1954 CD ARG A 621 -23.467 -7.659 4.517 1.00 9.41 C ATOM 1955 NE ARG A 621 -22.481 -7.665 5.598 1.00 9.86 N ATOM 1956 CZ ARG A 621 -21.485 -8.545 5.704 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -21.339 -9.510 4.805 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -20.634 -8.460 6.718 1.00 11.00 N ATOM 1959 OXT ARG A 621 -25.243 -2.654 5.435 1.00 9.43 O ATOM 0 H ARG A 621 -21.783 -3.201 3.556 1.00 7.11 H new ATOM 0 HA ARG A 621 -24.584 -3.816 3.290 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -22.686 -5.448 3.081 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -22.347 -5.228 4.786 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -24.656 -6.057 5.315 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -24.912 -6.354 3.607 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -24.218 -8.427 4.705 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -22.978 -7.915 3.577 1.00 9.41 H new ATOM 0 HE ARG A 621 -22.561 -6.948 6.319 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -21.992 -9.583 4.025 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -20.574 -10.179 4.894 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -20.742 -7.723 7.414 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -19.871 -9.132 6.801 1.00 11.00 H new TER 1973 ARG A 621