USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=35 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+ -124:sc= 1.57 (180deg=-0.336) USER MOD Set 1.2: B 5 U O2' : rot -38:sc= 2.06 USER MOD Set 2.1: A 535 ASN : amide:sc= -1.62! C(o=-4.5!,f=-10!) USER MOD Set 2.2: A 539 ASN : amide:sc= -3.58! C(o=-4.5!,f=-11!) USER MOD Set 2.3: A 618 GLN : amide:sc= 0.697 K(o=-4.5,f=-7.7!) USER MOD Set 3.1: A 548 THR OG1 : rot 102:sc= 1.25 USER MOD Set 3.2: A 549 ASN : amide:sc= -2.13! K(o=-0.89!,f=1.6) USER MOD Set 4.1: A 531 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 584 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.5!) USER MOD Set 5.1: A 523 HIS : no HE2:sc= -0.425 K(o=-3,f=-2.3) USER MOD Set 5.2: A 525 CYS SG : rot -13:sc= -1.76! USER MOD Set 5.3: A 556 THR OG1 : rot -160:sc= -0.0459 USER MOD Set 5.4: A 558 GLN : amide:sc= -0.997! K(o=-3!,f=-2.1) USER MOD Set 5.5: B 2 U O2' : rot 29:sc= 0.265 USER MOD Set 6.1: A 514 GLN : amide:sc= -1.53! X(o=-1.1!,f=-1.3) USER MOD Set 6.2: A 516 LYS NZ :NH3+ -118:sc= 0.403 (180deg=-0.251) USER MOD Single : A 512 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 526 ASN : amide:sc= 1.11 K(o=1.1,f=-0.92) USER MOD Single : A 532 CYS SG : rot 12:sc= -0.215 USER MOD Single : A 533 THR OG1 : rot 155:sc= 1.23 USER MOD Single : A 546 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 143:sc= 0.223 USER MOD Single : A 553 MET CE :methyl -140:sc= -0.804 (180deg=-2.09) USER MOD Single : A 554 LYS NZ :NH3+ 160:sc= 0.22 (180deg=-0.383) USER MOD Single : A 555 SER OG : rot 180:sc=-0.00423 USER MOD Single : A 557 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.5!) USER MOD Single : A 563 MET CE :methyl -171:sc= -5.75! (180deg=-6.27!) 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=-0.00198 X(o=-0.002,f=-0.015) USER MOD Single : A 572 MET CE :methyl 168:sc= -4.22! (180deg=-4.79!) USER MOD Single : A 574 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.2) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 577 GLN : amide:sc= -0.794 K(o=-0.79,f=-0.039) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0372) USER MOD Single : A 592 MET CE :methyl 152:sc= 0 (180deg=-0.244) USER MOD Single : A 593 SER OG : rot 88:sc= 1.64 USER MOD Single : A 594 THR OG1 : rot -120:sc= 0.0247 USER MOD Single : A 596 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.9) USER MOD Single : A 602 LYS NZ :NH3+ -169:sc= -0.0235 (180deg=-0.173) USER MOD Single : A 606 LYS NZ :NH3+ -145:sc= 1.19 (180deg=0.765) USER MOD Single : A 607 ASN : amide:sc= -0.884 K(o=-0.88,f=-2.3!) USER MOD Single : A 613 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.17) USER MOD Single : A 616 HIS : no HD1:sc= -1.32 K(o=-1.3,f=0.4) USER MOD Single : A 617 SER OG : rot 69:sc= 0.48 USER MOD Single : B 1 ADN O2' : rot 147:sc= 0.757 USER MOD Single : B 1 ADN O5' : rot 142:sc= 0.983 USER MOD Single : B 3 C O2' : rot 46:sc= -0.789 USER MOD Single : B 4 U O2' : rot 160:sc= 1.34 USER MOD Single : B 6 A O2' : rot 152:sc= 0.0209 USER MOD Single : B 6 A O3' : rot 129:sc= 0.164 USER MOD ----------------------------------------------------------------- HETATM 1 O5' ADN B 1 12.760 2.485 -7.303 1.00 3.64 O HETATM 2 C5' ADN B 1 13.520 1.325 -7.654 1.00 3.04 C HETATM 3 C4' ADN B 1 13.946 1.364 -9.103 1.00 2.61 C HETATM 4 O4' ADN B 1 14.918 0.306 -9.334 1.00 3.25 O HETATM 5 C3' ADN B 1 12.830 1.132 -10.118 1.00 2.05 C HETATM 6 O3' ADN B 1 12.978 1.993 -11.243 1.00 2.33 O HETATM 7 C2' ADN B 1 12.992 -0.334 -10.509 1.00 2.68 C HETATM 8 O2' ADN B 1 12.563 -0.589 -11.832 1.00 3.28 O HETATM 9 C1' ADN B 1 14.508 -0.473 -10.437 1.00 3.33 C HETATM 10 N9 ADN B 1 14.964 -1.849 -10.255 1.00 4.21 N HETATM 11 C8 ADN B 1 15.497 -2.421 -9.128 1.00 4.58 C HETATM 12 N7 ADN B 1 15.811 -3.687 -9.276 1.00 5.53 N HETATM 13 C5 ADN B 1 15.460 -3.965 -10.590 1.00 5.90 C HETATM 14 C6 ADN B 1 15.541 -5.136 -11.364 1.00 7.05 C HETATM 15 N6 ADN B 1 16.017 -6.294 -10.905 1.00 7.92 N HETATM 16 N1 ADN B 1 15.106 -5.077 -12.640 1.00 7.44 N HETATM 17 C2 ADN B 1 14.621 -3.916 -13.099 1.00 6.72 C HETATM 18 N3 ADN B 1 14.495 -2.748 -12.471 1.00 5.56 N HETATM 19 C4 ADN B 1 14.937 -2.843 -11.205 1.00 5.16 C HETATM 0 HO5' ADN B 1 12.034 2.229 -6.696 1.00 3.64 H new HETATM 0 HO2' ADN B 1 13.110 -1.303 -12.221 1.00 3.28 H new HETATM 0 HN62 ADN B 1 16.050 -7.110 -11.516 1.00 7.92 H new HETATM 0 HN61 ADN B 1 16.348 -6.364 -9.943 1.00 7.92 H new HETATM 0 H5'2 ADN B 1 14.401 1.258 -7.016 1.00 3.04 H new HETATM 0 H5'1 ADN B 1 12.926 0.430 -7.472 1.00 3.04 H new HETATM 0 H8 ADN B 1 15.646 -1.875 -8.196 1.00 4.58 H new HETATM 0 H4' ADN B 1 14.331 2.373 -9.254 1.00 2.61 H new HETATM 0 H3' ADN B 1 11.839 1.347 -9.717 1.00 2.05 H new HETATM 0 H2' ADN B 1 12.414 -1.015 -9.884 1.00 2.68 H new HETATM 0 H2 ADN B 1 14.281 -3.929 -14.134 1.00 6.72 H new HETATM 0 H1' ADN B 1 14.940 -0.144 -11.382 1.00 3.33 H new ATOM 32 P U B 2 11.712 2.323 -12.178 1.00 2.37 P ATOM 33 OP1 U B 2 10.608 1.401 -11.816 1.00 2.99 O ATOM 34 OP2 U B 2 12.196 2.367 -13.580 1.00 2.93 O ATOM 35 O5' U B 2 11.294 3.799 -11.747 1.00 2.04 O ATOM 36 C5' U B 2 10.880 4.086 -10.413 1.00 1.73 C ATOM 37 C4' U B 2 9.433 4.519 -10.396 1.00 1.24 C ATOM 38 O4' U B 2 8.684 3.694 -11.330 1.00 1.07 O ATOM 39 C3' U B 2 8.726 4.371 -9.051 1.00 0.95 C ATOM 40 O3' U B 2 7.890 5.492 -8.790 1.00 0.97 O ATOM 41 C2' U B 2 7.911 3.091 -9.194 1.00 0.83 C ATOM 42 O2' U B 2 6.722 3.137 -8.430 1.00 1.12 O ATOM 43 C1' U B 2 7.561 3.139 -10.680 1.00 0.74 C ATOM 44 N1 U B 2 7.276 1.828 -11.282 1.00 0.76 N ATOM 45 C2 U B 2 6.204 1.738 -12.154 1.00 1.11 C ATOM 46 O2 U B 2 5.478 2.682 -12.413 1.00 1.49 O ATOM 47 N3 U B 2 6.010 0.498 -12.709 1.00 1.23 N ATOM 48 C4 U B 2 6.759 -0.638 -12.485 1.00 1.12 C ATOM 49 O4 U B 2 6.462 -1.686 -13.064 1.00 1.35 O ATOM 50 C5 U B 2 7.843 -0.463 -11.571 1.00 1.05 C ATOM 51 C6 U B 2 8.062 0.730 -11.011 1.00 0.89 C ATOM 0 H5' U B 2 11.507 4.872 -9.991 1.00 1.73 H new ATOM 0 H5'' U B 2 11.010 3.204 -9.787 1.00 1.73 H new ATOM 0 H4' U B 2 9.456 5.579 -10.649 1.00 1.24 H new ATOM 0 H3' U B 2 9.423 4.323 -8.214 1.00 0.95 H new ATOM 0 H2' U B 2 8.440 2.198 -8.859 1.00 0.83 H new ATOM 0 HO2' U B 2 6.428 4.067 -8.338 1.00 1.12 H new ATOM 0 H1' U B 2 6.647 3.722 -10.793 1.00 0.74 H new ATOM 0 H3 U B 2 5.228 0.407 -13.357 1.00 1.23 H new ATOM 0 H5 U B 2 8.487 -1.297 -11.332 1.00 1.05 H new ATOM 0 H6 U B 2 8.885 0.837 -10.321 1.00 0.89 H new ATOM 62 P C B 3 8.507 6.831 -8.149 1.00 1.05 P ATOM 63 OP1 C B 3 8.113 7.960 -9.030 1.00 1.58 O ATOM 64 OP2 C B 3 9.942 6.596 -7.845 1.00 1.17 O ATOM 65 O5' C B 3 7.722 6.982 -6.772 1.00 1.07 O ATOM 66 C5' C B 3 8.128 7.924 -5.783 1.00 0.98 C ATOM 67 C4' C B 3 7.786 7.408 -4.404 1.00 0.86 C ATOM 68 O4' C B 3 7.641 5.960 -4.466 1.00 0.90 O ATOM 69 C3' C B 3 8.844 7.659 -3.336 1.00 0.69 C ATOM 70 O3' C B 3 8.247 7.796 -2.048 1.00 0.87 O ATOM 71 C2' C B 3 9.702 6.403 -3.420 1.00 0.63 C ATOM 72 O2' C B 3 10.376 6.130 -2.211 1.00 0.82 O ATOM 73 C1' C B 3 8.612 5.357 -3.633 1.00 0.75 C ATOM 74 N1 C B 3 9.094 4.116 -4.262 1.00 0.69 N ATOM 75 C2 C B 3 9.017 2.922 -3.539 1.00 0.96 C ATOM 76 O2 C B 3 8.531 2.941 -2.399 1.00 1.32 O ATOM 77 N3 C B 3 9.476 1.780 -4.098 1.00 0.95 N ATOM 78 C4 C B 3 9.999 1.800 -5.326 1.00 0.70 C ATOM 79 N4 C B 3 10.445 0.650 -5.833 1.00 0.76 N ATOM 80 C5 C B 3 10.089 3.003 -6.086 1.00 0.69 C ATOM 81 C6 C B 3 9.629 4.127 -5.521 1.00 0.67 C ATOM 0 H5' C B 3 7.633 8.880 -5.955 1.00 0.98 H new ATOM 0 H5'' C B 3 9.201 8.102 -5.858 1.00 0.98 H new ATOM 0 H4' C B 3 6.881 7.946 -4.124 1.00 0.86 H new ATOM 0 H3' C B 3 9.410 8.578 -3.488 1.00 0.69 H new ATOM 0 H2' C B 3 10.485 6.456 -4.176 1.00 0.63 H new ATOM 0 HO2' C B 3 9.751 6.216 -1.461 1.00 0.82 H new ATOM 0 H1' C B 3 8.218 5.059 -2.661 1.00 0.75 H new ATOM 0 H41 C B 3 10.851 0.628 -6.769 1.00 0.76 H new ATOM 0 H42 C B 3 10.380 -0.208 -5.285 1.00 0.76 H new ATOM 0 H5 C B 3 10.512 3.008 -7.080 1.00 0.69 H new ATOM 0 H6 C B 3 9.681 5.057 -6.068 1.00 0.67 H new ATOM 93 P U B 4 8.554 9.077 -1.125 1.00 0.75 P ATOM 94 OP1 U B 4 9.640 9.857 -1.772 1.00 1.02 O ATOM 95 OP2 U B 4 8.721 8.608 0.271 1.00 1.15 O ATOM 96 O5' U B 4 7.217 9.939 -1.204 1.00 0.71 O ATOM 97 C5' U B 4 7.172 11.265 -0.683 1.00 0.76 C ATOM 98 C4' U B 4 5.956 11.453 0.192 1.00 0.65 C ATOM 99 O4' U B 4 5.809 10.301 1.070 1.00 0.61 O ATOM 100 C3' U B 4 6.026 12.662 1.118 1.00 0.67 C ATOM 101 O3' U B 4 4.749 13.270 1.267 1.00 0.79 O ATOM 102 C2' U B 4 6.515 12.065 2.431 1.00 0.63 C ATOM 103 O2' U B 4 6.111 12.827 3.552 1.00 0.77 O ATOM 104 C1' U B 4 5.759 10.742 2.412 1.00 0.58 C ATOM 105 N1 U B 4 6.334 9.712 3.289 1.00 0.58 N ATOM 106 C2 U B 4 6.198 9.874 4.656 1.00 0.66 C ATOM 107 O2 U B 4 5.649 10.839 5.162 1.00 0.71 O ATOM 108 N3 U B 4 6.738 8.867 5.416 1.00 0.75 N ATOM 109 C4 U B 4 7.384 7.739 4.961 1.00 0.79 C ATOM 110 O4 U B 4 7.810 6.916 5.774 1.00 0.93 O ATOM 111 C5 U B 4 7.485 7.647 3.538 1.00 0.72 C ATOM 112 C6 U B 4 6.970 8.612 2.768 1.00 0.62 C ATOM 0 H5' U B 4 7.151 11.983 -1.503 1.00 0.76 H new ATOM 0 H5'' U B 4 8.075 11.466 -0.107 1.00 0.76 H new ATOM 0 H4' U B 4 5.128 11.588 -0.504 1.00 0.65 H new ATOM 0 H3' U B 4 6.676 13.453 0.743 1.00 0.67 H new ATOM 0 H2' U B 4 7.600 12.003 2.512 1.00 0.63 H new ATOM 0 HO2' U B 4 6.162 12.274 4.359 1.00 0.77 H new ATOM 0 H1' U B 4 4.747 10.901 2.785 1.00 0.58 H new ATOM 0 H3 U B 4 6.652 8.965 6.428 1.00 0.75 H new ATOM 0 H5 U B 4 7.977 6.799 3.085 1.00 0.72 H new ATOM 0 H6 U B 4 7.058 8.523 1.695 1.00 0.62 H new ATOM 123 P U B 5 4.365 14.549 0.377 1.00 0.85 P ATOM 124 OP1 U B 5 4.956 14.355 -0.974 1.00 1.03 O ATOM 125 OP2 U B 5 4.700 15.770 1.154 1.00 1.33 O ATOM 126 O5' U B 5 2.780 14.462 0.247 1.00 0.85 O ATOM 127 C5' U B 5 2.172 13.634 -0.740 1.00 0.75 C ATOM 128 C4' U B 5 0.835 13.131 -0.250 1.00 0.55 C ATOM 129 O4' U B 5 1.060 12.077 0.730 1.00 0.43 O ATOM 130 C3' U B 5 -0.036 14.167 0.458 1.00 0.55 C ATOM 131 O3' U B 5 -1.414 13.965 0.162 1.00 0.57 O ATOM 132 C2' U B 5 0.261 13.919 1.932 1.00 0.48 C ATOM 133 O2' U B 5 -0.804 14.305 2.775 1.00 0.53 O ATOM 134 C1' U B 5 0.368 12.398 1.919 1.00 0.37 C ATOM 135 N1 U B 5 1.078 11.837 3.077 1.00 0.37 N ATOM 136 C2 U B 5 0.355 11.034 3.941 1.00 0.37 C ATOM 137 O2 U B 5 -0.819 10.755 3.763 1.00 0.40 O ATOM 138 N3 U B 5 1.058 10.562 5.020 1.00 0.43 N ATOM 139 C4 U B 5 2.381 10.805 5.317 1.00 0.48 C ATOM 140 O4 U B 5 2.873 10.309 6.330 1.00 0.56 O ATOM 141 C5 U B 5 3.057 11.640 4.374 1.00 0.49 C ATOM 142 C6 U B 5 2.404 12.118 3.309 1.00 0.44 C ATOM 0 H5' U B 5 2.824 12.791 -0.969 1.00 0.75 H new ATOM 0 H5'' U B 5 2.040 14.196 -1.665 1.00 0.75 H new ATOM 0 H4' U B 5 0.313 12.811 -1.152 1.00 0.55 H new ATOM 0 H3' U B 5 0.175 15.191 0.150 1.00 0.55 H new ATOM 0 H2' U B 5 1.124 14.470 2.304 1.00 0.48 H new ATOM 0 HO2' U B 5 -1.209 15.129 2.434 1.00 0.53 H new ATOM 0 H1' U B 5 -0.632 11.968 1.969 1.00 0.37 H new ATOM 0 H3 U B 5 0.547 9.968 5.672 1.00 0.43 H new ATOM 0 H5 U B 5 4.098 11.886 4.522 1.00 0.49 H new ATOM 0 H6 U B 5 2.935 12.745 2.608 1.00 0.44 H new ATOM 153 P A B 6 -2.425 15.214 0.096 1.00 0.96 P ATOM 154 OP1 A B 6 -3.807 14.687 0.251 1.00 1.91 O ATOM 155 OP2 A B 6 -2.068 16.007 -1.107 1.00 1.79 O ATOM 156 O5' A B 6 -2.070 16.081 1.385 1.00 1.70 O ATOM 157 C5' A B 6 -3.010 17.005 1.931 1.00 2.27 C ATOM 158 C4' A B 6 -2.605 17.389 3.335 1.00 2.74 C ATOM 159 O4' A B 6 -1.183 17.691 3.343 1.00 2.62 O ATOM 160 C3' A B 6 -3.282 18.639 3.889 1.00 3.36 C ATOM 161 O3' A B 6 -3.437 18.568 5.308 1.00 4.05 O ATOM 162 C2' A B 6 -2.324 19.755 3.492 1.00 3.45 C ATOM 163 O2' A B 6 -2.395 20.855 4.379 1.00 4.23 O ATOM 164 C1' A B 6 -0.980 19.053 3.667 1.00 3.13 C ATOM 165 N9 A B 6 0.076 19.591 2.809 1.00 3.07 N ATOM 166 C8 A B 6 0.437 20.907 2.652 1.00 3.68 C ATOM 167 N7 A B 6 1.426 21.088 1.812 1.00 3.79 N ATOM 168 C5 A B 6 1.739 19.806 1.386 1.00 3.15 C ATOM 169 C6 A B 6 2.704 19.320 0.488 1.00 3.12 C ATOM 170 N6 A B 6 3.569 20.103 -0.162 1.00 3.76 N ATOM 171 N1 A B 6 2.756 17.986 0.283 1.00 2.64 N ATOM 172 C2 A B 6 1.892 17.203 0.942 1.00 2.25 C ATOM 173 N3 A B 6 0.942 17.541 1.810 1.00 2.28 N ATOM 174 C4 A B 6 0.917 18.873 1.991 1.00 2.69 C ATOM 0 H5' A B 6 -4.005 16.561 1.940 1.00 2.27 H new ATOM 0 H5'' A B 6 -3.064 17.895 1.303 1.00 2.27 H new ATOM 0 H4' A B 6 -2.898 16.539 3.951 1.00 2.74 H new ATOM 0 H3' A B 6 -4.291 18.782 3.503 1.00 3.36 H new ATOM 0 H2' A B 6 -2.523 20.165 2.502 1.00 3.45 H new ATOM 0 HO2' A B 6 -1.530 21.316 4.398 1.00 4.23 H new ATOM 0 HO3' A B 6 -3.077 19.382 5.718 1.00 4.05 H new ATOM 0 H1' A B 6 -0.646 19.202 4.694 1.00 3.13 H new ATOM 0 H8 A B 6 -0.050 21.718 3.173 1.00 3.68 H new ATOM 0 H61 A B 6 4.248 19.691 -0.802 1.00 3.76 H new ATOM 0 H62 A B 6 3.551 21.113 -0.018 1.00 3.76 H new ATOM 0 H2 A B 6 1.979 16.146 0.740 1.00 2.25 H new TER 187 A B 6 ATOM 188 N GLY A 510 16.581 -14.618 7.931 1.00 8.88 N ATOM 189 CA GLY A 510 17.279 -14.543 6.626 1.00 8.14 C ATOM 190 C GLY A 510 17.085 -13.199 5.960 1.00 7.17 C ATOM 191 O GLY A 510 17.298 -12.160 6.590 1.00 7.17 O ATOM 0 HA2 GLY A 510 18.344 -14.725 6.773 1.00 8.14 H new ATOM 0 HA3 GLY A 510 16.908 -15.330 5.970 1.00 8.14 H new ATOM 197 N ALA A 511 16.664 -13.227 4.694 1.00 6.63 N ATOM 198 CA ALA A 511 16.432 -12.015 3.910 1.00 5.95 C ATOM 199 C ALA A 511 17.712 -11.195 3.771 1.00 5.06 C ATOM 200 O ALA A 511 17.911 -10.203 4.474 1.00 5.04 O ATOM 201 CB ALA A 511 15.312 -11.178 4.523 1.00 6.64 C ATOM 0 H ALA A 511 16.475 -14.090 4.185 1.00 6.63 H new ATOM 0 HA ALA A 511 16.121 -12.318 2.910 1.00 5.95 H new ATOM 0 HB1 ALA A 511 15.157 -10.281 3.923 1.00 6.64 H new ATOM 0 HB2 ALA A 511 14.392 -11.762 4.546 1.00 6.64 H new ATOM 0 HB3 ALA A 511 15.586 -10.892 5.539 1.00 6.64 H new ATOM 207 N MET A 512 18.581 -11.617 2.861 1.00 4.71 N ATOM 208 CA MET A 512 19.849 -10.932 2.648 1.00 4.26 C ATOM 209 C MET A 512 19.620 -9.622 1.901 1.00 3.49 C ATOM 210 O MET A 512 20.373 -8.661 2.059 1.00 3.57 O ATOM 211 CB MET A 512 20.844 -11.835 1.899 1.00 4.93 C ATOM 212 CG MET A 512 20.465 -12.155 0.460 1.00 5.06 C ATOM 213 SD MET A 512 21.007 -10.890 -0.709 1.00 5.85 S ATOM 214 CE MET A 512 20.346 -11.544 -2.239 1.00 6.33 C ATOM 0 H MET A 512 18.431 -12.428 2.260 1.00 4.71 H new ATOM 0 HA MET A 512 20.286 -10.700 3.619 1.00 4.26 H new ATOM 0 HB2 MET A 512 21.822 -11.354 1.903 1.00 4.93 H new ATOM 0 HB3 MET A 512 20.947 -12.771 2.448 1.00 4.93 H new ATOM 0 HG2 MET A 512 20.902 -13.113 0.179 1.00 5.06 H new ATOM 0 HG3 MET A 512 19.383 -12.266 0.391 1.00 5.06 H new ATOM 0 HE1 MET A 512 20.598 -10.873 -3.060 1.00 6.33 H new ATOM 0 HE2 MET A 512 20.775 -12.528 -2.430 1.00 6.33 H new ATOM 0 HE3 MET A 512 19.262 -11.630 -2.160 1.00 6.33 H new ATOM 224 N ALA A 513 18.559 -9.584 1.109 1.00 3.37 N ATOM 225 CA ALA A 513 18.188 -8.384 0.381 1.00 3.26 C ATOM 226 C ALA A 513 16.822 -7.902 0.839 1.00 2.63 C ATOM 227 O ALA A 513 15.981 -8.710 1.238 1.00 3.17 O ATOM 228 CB ALA A 513 18.187 -8.645 -1.117 1.00 4.20 C ATOM 0 H ALA A 513 17.937 -10.378 0.955 1.00 3.37 H new ATOM 0 HA ALA A 513 18.923 -7.607 0.589 1.00 3.26 H new ATOM 0 HB1 ALA A 513 17.906 -7.734 -1.645 1.00 4.20 H new ATOM 0 HB2 ALA A 513 19.183 -8.955 -1.433 1.00 4.20 H new ATOM 0 HB3 ALA A 513 17.471 -9.433 -1.348 1.00 4.20 H new ATOM 234 N GLN A 514 16.618 -6.588 0.775 1.00 1.97 N ATOM 235 CA GLN A 514 15.370 -5.953 1.195 1.00 1.53 C ATOM 236 C GLN A 514 15.177 -6.022 2.704 1.00 1.41 C ATOM 237 O GLN A 514 14.964 -7.088 3.280 1.00 1.94 O ATOM 238 CB GLN A 514 14.160 -6.561 0.486 1.00 1.48 C ATOM 239 CG GLN A 514 14.037 -6.151 -0.971 1.00 1.76 C ATOM 240 CD GLN A 514 13.852 -4.657 -1.124 1.00 2.06 C ATOM 241 OE1 GLN A 514 12.727 -4.159 -1.102 1.00 2.88 O ATOM 242 NE2 GLN A 514 14.950 -3.933 -1.271 1.00 2.17 N ATOM 0 H GLN A 514 17.317 -5.930 0.429 1.00 1.97 H new ATOM 0 HA GLN A 514 15.447 -4.904 0.908 1.00 1.53 H new ATOM 0 HB2 GLN A 514 14.224 -7.648 0.544 1.00 1.48 H new ATOM 0 HB3 GLN A 514 13.254 -6.266 1.015 1.00 1.48 H new ATOM 0 HG2 GLN A 514 14.930 -6.463 -1.512 1.00 1.76 H new ATOM 0 HG3 GLN A 514 13.192 -6.670 -1.424 1.00 1.76 H new ATOM 0 HE21 GLN A 514 15.863 -4.388 -1.284 1.00 2.17 H new ATOM 0 HE22 GLN A 514 14.883 -2.920 -1.372 1.00 2.17 H new ATOM 251 N ARG A 515 15.239 -4.865 3.339 1.00 1.22 N ATOM 252 CA ARG A 515 15.002 -4.773 4.768 1.00 1.19 C ATOM 253 C ARG A 515 13.510 -4.838 5.042 1.00 1.13 C ATOM 254 O ARG A 515 12.801 -3.843 4.888 1.00 1.84 O ATOM 255 CB ARG A 515 15.584 -3.475 5.334 1.00 1.39 C ATOM 256 CG ARG A 515 17.091 -3.349 5.171 1.00 1.59 C ATOM 257 CD ARG A 515 17.813 -4.589 5.675 1.00 1.75 C ATOM 258 NE ARG A 515 17.434 -4.935 7.044 1.00 2.36 N ATOM 259 CZ ARG A 515 17.293 -6.185 7.483 1.00 3.12 C ATOM 260 NH1 ARG A 515 17.526 -7.213 6.671 1.00 3.44 N ATOM 261 NH2 ARG A 515 16.926 -6.408 8.739 1.00 4.00 N ATOM 0 H ARG A 515 15.452 -3.976 2.887 1.00 1.22 H new ATOM 0 HA ARG A 515 15.498 -5.611 5.259 1.00 1.19 H new ATOM 0 HB2 ARG A 515 15.104 -2.629 4.842 1.00 1.39 H new ATOM 0 HB3 ARG A 515 15.337 -3.410 6.394 1.00 1.39 H new ATOM 0 HG2 ARG A 515 17.332 -3.189 4.120 1.00 1.59 H new ATOM 0 HG3 ARG A 515 17.445 -2.474 5.716 1.00 1.59 H new ATOM 0 HD2 ARG A 515 17.591 -5.429 5.016 1.00 1.75 H new ATOM 0 HD3 ARG A 515 18.889 -4.423 5.629 1.00 1.75 H new ATOM 0 HE ARG A 515 17.268 -4.174 7.702 1.00 2.36 H new ATOM 0 HH11 ARG A 515 17.814 -7.046 5.707 1.00 3.44 H new ATOM 0 HH12 ARG A 515 17.416 -8.168 7.013 1.00 3.44 H new ATOM 0 HH21 ARG A 515 16.752 -5.623 9.367 1.00 4.00 H new ATOM 0 HH22 ARG A 515 16.818 -7.364 9.077 1.00 4.00 H new ATOM 275 N LYS A 516 13.032 -6.022 5.400 1.00 0.82 N ATOM 276 CA LYS A 516 11.617 -6.227 5.673 1.00 0.79 C ATOM 277 C LYS A 516 11.427 -7.028 6.959 1.00 0.90 C ATOM 278 O LYS A 516 10.667 -7.998 7.000 1.00 1.11 O ATOM 279 CB LYS A 516 10.939 -6.938 4.493 1.00 0.97 C ATOM 280 CG LYS A 516 11.008 -6.164 3.182 1.00 1.06 C ATOM 281 CD LYS A 516 10.317 -4.811 3.291 1.00 1.07 C ATOM 282 CE LYS A 516 10.466 -3.996 2.014 1.00 1.24 C ATOM 283 NZ LYS A 516 11.889 -3.694 1.696 1.00 1.89 N ATOM 0 H LYS A 516 13.606 -6.858 5.508 1.00 0.82 H new ATOM 0 HA LYS A 516 11.149 -5.251 5.804 1.00 0.79 H new ATOM 0 HB2 LYS A 516 11.406 -7.913 4.353 1.00 0.97 H new ATOM 0 HB3 LYS A 516 9.893 -7.118 4.742 1.00 0.97 H new ATOM 0 HG2 LYS A 516 12.051 -6.019 2.899 1.00 1.06 H new ATOM 0 HG3 LYS A 516 10.541 -6.748 2.389 1.00 1.06 H new ATOM 0 HD2 LYS A 516 9.259 -4.960 3.506 1.00 1.07 H new ATOM 0 HD3 LYS A 516 10.737 -4.254 4.129 1.00 1.07 H new ATOM 0 HE2 LYS A 516 10.019 -4.542 1.183 1.00 1.24 H new ATOM 0 HE3 LYS A 516 9.913 -3.062 2.116 1.00 1.24 H new ATOM 0 HZ1 LYS A 516 12.036 -2.664 1.705 1.00 1.89 H new ATOM 0 HZ2 LYS A 516 12.505 -4.138 2.406 1.00 1.89 H new ATOM 0 HZ3 LYS A 516 12.121 -4.068 0.754 1.00 1.89 H new ATOM 297 N GLY A 517 12.131 -6.619 8.003 1.00 0.96 N ATOM 298 CA GLY A 517 11.982 -7.253 9.298 1.00 1.13 C ATOM 299 C GLY A 517 10.937 -6.558 10.146 1.00 1.25 C ATOM 300 O GLY A 517 9.738 -6.674 9.882 1.00 2.04 O ATOM 0 H GLY A 517 12.807 -5.855 7.977 1.00 0.96 H new ATOM 0 HA2 GLY A 517 11.704 -8.298 9.162 1.00 1.13 H new ATOM 0 HA3 GLY A 517 12.939 -7.244 9.820 1.00 1.13 H new ATOM 304 N ALA A 518 11.386 -5.827 11.158 1.00 1.01 N ATOM 305 CA ALA A 518 10.483 -5.051 11.996 1.00 1.14 C ATOM 306 C ALA A 518 10.096 -3.767 11.288 1.00 1.08 C ATOM 307 O ALA A 518 9.046 -3.175 11.547 1.00 1.75 O ATOM 308 CB ALA A 518 11.120 -4.757 13.345 1.00 1.41 C ATOM 0 H ALA A 518 12.370 -5.756 11.418 1.00 1.01 H new ATOM 0 HA ALA A 518 9.580 -5.635 12.175 1.00 1.14 H new ATOM 0 HB1 ALA A 518 10.428 -4.176 13.955 1.00 1.41 H new ATOM 0 HB2 ALA A 518 11.351 -5.695 13.851 1.00 1.41 H new ATOM 0 HB3 ALA A 518 12.039 -4.189 13.198 1.00 1.41 H new ATOM 314 N GLY A 519 10.960 -3.362 10.383 1.00 0.67 N ATOM 315 CA GLY A 519 10.695 -2.220 9.538 1.00 0.60 C ATOM 316 C GLY A 519 10.388 -2.665 8.128 1.00 0.50 C ATOM 317 O GLY A 519 11.237 -3.275 7.477 1.00 0.51 O ATOM 0 H GLY A 519 11.860 -3.812 10.213 1.00 0.67 H new ATOM 0 HA2 GLY A 519 9.855 -1.652 9.937 1.00 0.60 H new ATOM 0 HA3 GLY A 519 11.558 -1.554 9.536 1.00 0.60 H new ATOM 321 N ARG A 520 9.180 -2.395 7.651 1.00 0.46 N ATOM 322 CA ARG A 520 8.806 -2.815 6.311 1.00 0.40 C ATOM 323 C ARG A 520 8.118 -1.688 5.557 1.00 0.34 C ATOM 324 O ARG A 520 7.234 -1.017 6.085 1.00 0.36 O ATOM 325 CB ARG A 520 7.859 -4.017 6.390 1.00 0.44 C ATOM 326 CG ARG A 520 8.409 -5.173 7.209 1.00 0.56 C ATOM 327 CD ARG A 520 7.313 -6.145 7.607 1.00 0.64 C ATOM 328 NE ARG A 520 6.223 -5.472 8.313 1.00 0.93 N ATOM 329 CZ ARG A 520 6.195 -5.267 9.632 1.00 1.70 C ATOM 330 NH1 ARG A 520 7.195 -5.682 10.401 1.00 2.13 N ATOM 331 NH2 ARG A 520 5.161 -4.641 10.178 1.00 2.22 N ATOM 0 H ARG A 520 8.454 -1.895 8.164 1.00 0.46 H new ATOM 0 HA ARG A 520 9.715 -3.090 5.777 1.00 0.40 H new ATOM 0 HB2 ARG A 520 6.912 -3.695 6.823 1.00 0.44 H new ATOM 0 HB3 ARG A 520 7.645 -4.367 5.380 1.00 0.44 H new ATOM 0 HG2 ARG A 520 9.171 -5.698 6.633 1.00 0.56 H new ATOM 0 HG3 ARG A 520 8.896 -4.786 8.104 1.00 0.56 H new ATOM 0 HD2 ARG A 520 6.921 -6.636 6.716 1.00 0.64 H new ATOM 0 HD3 ARG A 520 7.732 -6.925 8.243 1.00 0.64 H new ATOM 0 HE ARG A 520 5.433 -5.137 7.762 1.00 0.93 H new ATOM 0 HH11 ARG A 520 7.993 -6.162 9.985 1.00 2.13 H new ATOM 0 HH12 ARG A 520 7.165 -5.521 11.408 1.00 2.13 H new ATOM 0 HH21 ARG A 520 4.392 -4.319 9.591 1.00 2.22 H new ATOM 0 HH22 ARG A 520 5.135 -4.482 11.185 1.00 2.22 H new ATOM 345 N VAL A 521 8.538 -1.488 4.319 1.00 0.29 N ATOM 346 CA VAL A 521 7.852 -0.584 3.414 1.00 0.24 C ATOM 347 C VAL A 521 7.310 -1.334 2.206 1.00 0.21 C ATOM 348 O VAL A 521 8.063 -1.997 1.485 1.00 0.23 O ATOM 349 CB VAL A 521 8.745 0.579 2.949 1.00 0.26 C ATOM 350 CG1 VAL A 521 8.000 1.463 1.966 1.00 0.27 C ATOM 351 CG2 VAL A 521 9.221 1.388 4.139 1.00 0.32 C ATOM 0 H VAL A 521 9.357 -1.944 3.916 1.00 0.29 H new ATOM 0 HA VAL A 521 7.022 -0.156 3.977 1.00 0.24 H new ATOM 0 HB VAL A 521 9.617 0.164 2.443 1.00 0.26 H new ATOM 0 HG11 VAL A 521 8.648 2.280 1.648 1.00 0.27 H new ATOM 0 HG12 VAL A 521 7.706 0.874 1.097 1.00 0.27 H new ATOM 0 HG13 VAL A 521 7.110 1.871 2.445 1.00 0.27 H new ATOM 0 HG21 VAL A 521 9.852 2.207 3.793 1.00 0.32 H new ATOM 0 HG22 VAL A 521 8.360 1.793 4.672 1.00 0.32 H new ATOM 0 HG23 VAL A 521 9.794 0.747 4.809 1.00 0.32 H new ATOM 361 N VAL A 522 6.014 -1.230 1.985 1.00 0.20 N ATOM 362 CA VAL A 522 5.392 -1.812 0.811 1.00 0.18 C ATOM 363 C VAL A 522 4.739 -0.685 0.023 1.00 0.18 C ATOM 364 O VAL A 522 3.916 0.054 0.565 1.00 0.19 O ATOM 365 CB VAL A 522 4.341 -2.873 1.194 1.00 0.20 C ATOM 366 CG1 VAL A 522 3.827 -3.604 -0.034 1.00 0.21 C ATOM 367 CG2 VAL A 522 4.912 -3.852 2.207 1.00 0.22 C ATOM 0 H VAL A 522 5.368 -0.745 2.607 1.00 0.20 H new ATOM 0 HA VAL A 522 6.150 -2.316 0.211 1.00 0.18 H new ATOM 0 HB VAL A 522 3.496 -2.359 1.653 1.00 0.20 H new ATOM 0 HG11 VAL A 522 3.087 -4.346 0.267 1.00 0.21 H new ATOM 0 HG12 VAL A 522 3.367 -2.890 -0.717 1.00 0.21 H new ATOM 0 HG13 VAL A 522 4.657 -4.102 -0.535 1.00 0.21 H new ATOM 0 HG21 VAL A 522 4.155 -4.593 2.464 1.00 0.22 H new ATOM 0 HG22 VAL A 522 5.780 -4.354 1.779 1.00 0.22 H new ATOM 0 HG23 VAL A 522 5.212 -3.312 3.105 1.00 0.22 H new ATOM 377 N HIS A 523 5.119 -0.518 -1.234 1.00 0.18 N ATOM 378 CA HIS A 523 4.687 0.631 -2.008 1.00 0.18 C ATOM 379 C HIS A 523 3.623 0.240 -3.022 1.00 0.17 C ATOM 380 O HIS A 523 3.764 -0.745 -3.747 1.00 0.18 O ATOM 381 CB HIS A 523 5.900 1.239 -2.722 1.00 0.20 C ATOM 382 CG HIS A 523 5.588 2.372 -3.658 1.00 0.25 C ATOM 383 ND1 HIS A 523 5.602 2.237 -5.029 1.00 0.39 N ATOM 384 CD2 HIS A 523 5.300 3.673 -3.415 1.00 0.30 C ATOM 385 CE1 HIS A 523 5.341 3.404 -5.587 1.00 0.44 C ATOM 386 NE2 HIS A 523 5.153 4.295 -4.632 1.00 0.37 N ATOM 0 H HIS A 523 5.726 -1.164 -1.738 1.00 0.18 H new ATOM 0 HA HIS A 523 4.248 1.366 -1.333 1.00 0.18 H new ATOM 0 HB2 HIS A 523 6.605 1.594 -1.970 1.00 0.20 H new ATOM 0 HB3 HIS A 523 6.403 0.452 -3.284 1.00 0.20 H new ATOM 0 HD1 HIS A 523 5.786 1.370 -5.534 1.00 0.39 H new ATOM 0 HD2 HIS A 523 5.204 4.136 -2.444 1.00 0.30 H new ATOM 0 HE1 HIS A 523 5.290 3.598 -6.648 1.00 0.44 H new ATOM 395 N ILE A 524 2.570 1.032 -3.070 1.00 0.16 N ATOM 396 CA ILE A 524 1.490 0.830 -4.011 1.00 0.16 C ATOM 397 C ILE A 524 1.470 1.993 -4.992 1.00 0.17 C ATOM 398 O ILE A 524 1.743 3.131 -4.617 1.00 0.19 O ATOM 399 CB ILE A 524 0.134 0.733 -3.277 1.00 0.17 C ATOM 400 CG1 ILE A 524 0.230 -0.312 -2.160 1.00 0.16 C ATOM 401 CG2 ILE A 524 -0.987 0.394 -4.252 1.00 0.18 C ATOM 402 CD1 ILE A 524 -1.060 -0.532 -1.405 1.00 0.18 C ATOM 0 H ILE A 524 2.441 1.835 -2.455 1.00 0.16 H new ATOM 0 HA ILE A 524 1.651 -0.106 -4.546 1.00 0.16 H new ATOM 0 HB ILE A 524 -0.101 1.700 -2.833 1.00 0.17 H new ATOM 0 HG12 ILE A 524 0.552 -1.260 -2.591 1.00 0.16 H new ATOM 0 HG13 ILE A 524 1.002 -0.004 -1.455 1.00 0.16 H new ATOM 0 HG21 ILE A 524 -1.932 0.331 -3.712 1.00 0.18 H new ATOM 0 HG22 ILE A 524 -1.055 1.171 -5.013 1.00 0.18 H new ATOM 0 HG23 ILE A 524 -0.777 -0.563 -4.729 1.00 0.18 H new ATOM 0 HD11 ILE A 524 -0.906 -1.286 -0.633 1.00 0.18 H new ATOM 0 HD12 ILE A 524 -1.374 0.403 -0.941 1.00 0.18 H new ATOM 0 HD13 ILE A 524 -1.832 -0.872 -2.095 1.00 0.18 H new ATOM 414 N CYS A 525 1.188 1.720 -6.248 1.00 0.17 N ATOM 415 CA CYS A 525 1.182 2.769 -7.248 1.00 0.18 C ATOM 416 C CYS A 525 0.059 2.580 -8.251 1.00 0.15 C ATOM 417 O CYS A 525 -0.542 1.504 -8.321 1.00 0.16 O ATOM 418 CB CYS A 525 2.537 2.829 -7.956 1.00 0.29 C ATOM 419 SG CYS A 525 3.249 1.214 -8.343 1.00 1.17 S ATOM 0 H CYS A 525 0.962 0.790 -6.600 1.00 0.17 H new ATOM 0 HA CYS A 525 1.007 3.717 -6.740 1.00 0.18 H new ATOM 0 HB2 CYS A 525 2.425 3.394 -8.881 1.00 0.29 H new ATOM 0 HB3 CYS A 525 3.237 3.380 -7.328 1.00 0.29 H new ATOM 0 HG CYS A 525 2.602 0.289 -7.699 1.00 1.17 H new ATOM 425 N ASN A 526 -0.216 3.661 -8.985 1.00 0.15 N ATOM 426 CA ASN A 526 -1.220 3.706 -10.059 1.00 0.16 C ATOM 427 C ASN A 526 -2.584 4.072 -9.499 1.00 0.15 C ATOM 428 O ASN A 526 -3.618 3.709 -10.056 1.00 0.18 O ATOM 429 CB ASN A 526 -1.311 2.400 -10.867 1.00 0.19 C ATOM 430 CG ASN A 526 -0.037 2.075 -11.623 1.00 0.21 C ATOM 431 OD1 ASN A 526 0.754 2.958 -11.952 1.00 0.22 O ATOM 432 ND2 ASN A 526 0.154 0.804 -11.932 1.00 0.26 N ATOM 0 H ASN A 526 0.262 4.551 -8.849 1.00 0.15 H new ATOM 0 HA ASN A 526 -0.888 4.478 -10.753 1.00 0.16 H new ATOM 0 HB2 ASN A 526 -1.544 1.578 -10.191 1.00 0.19 H new ATOM 0 HB3 ASN A 526 -2.137 2.475 -11.575 1.00 0.19 H new ATOM 0 HD21 ASN A 526 0.981 0.526 -12.461 1.00 0.26 H new ATOM 0 HD22 ASN A 526 -0.525 0.101 -11.641 1.00 0.26 H new ATOM 439 N LEU A 527 -2.573 4.829 -8.415 1.00 0.15 N ATOM 440 CA LEU A 527 -3.802 5.314 -7.818 1.00 0.17 C ATOM 441 C LEU A 527 -4.145 6.659 -8.431 1.00 0.22 C ATOM 442 O LEU A 527 -3.327 7.571 -8.409 1.00 0.25 O ATOM 443 CB LEU A 527 -3.651 5.447 -6.299 1.00 0.15 C ATOM 444 CG LEU A 527 -3.586 4.130 -5.528 1.00 0.16 C ATOM 445 CD1 LEU A 527 -3.176 4.378 -4.087 1.00 0.18 C ATOM 446 CD2 LEU A 527 -4.934 3.433 -5.571 1.00 0.21 C ATOM 0 H LEU A 527 -1.724 5.121 -7.931 1.00 0.15 H new ATOM 0 HA LEU A 527 -4.604 4.603 -8.014 1.00 0.17 H new ATOM 0 HB2 LEU A 527 -2.745 6.016 -6.090 1.00 0.15 H new ATOM 0 HB3 LEU A 527 -4.489 6.030 -5.918 1.00 0.15 H new ATOM 0 HG LEU A 527 -2.839 3.490 -5.998 1.00 0.16 H new ATOM 0 HD11 LEU A 527 -3.135 3.429 -3.552 1.00 0.18 H new ATOM 0 HD12 LEU A 527 -2.194 4.850 -4.064 1.00 0.18 H new ATOM 0 HD13 LEU A 527 -3.905 5.033 -3.609 1.00 0.18 H new ATOM 0 HD21 LEU A 527 -4.877 2.495 -5.018 1.00 0.21 H new ATOM 0 HD22 LEU A 527 -5.690 4.075 -5.119 1.00 0.21 H new ATOM 0 HD23 LEU A 527 -5.205 3.228 -6.607 1.00 0.21 H new ATOM 458 N PRO A 528 -5.345 6.812 -8.995 1.00 0.26 N ATOM 459 CA PRO A 528 -5.718 8.055 -9.653 1.00 0.33 C ATOM 460 C PRO A 528 -5.937 9.170 -8.639 1.00 0.34 C ATOM 461 O PRO A 528 -6.605 8.972 -7.623 1.00 0.32 O ATOM 462 CB PRO A 528 -7.032 7.721 -10.377 1.00 0.38 C ATOM 463 CG PRO A 528 -7.292 6.260 -10.157 1.00 0.37 C ATOM 464 CD PRO A 528 -6.416 5.812 -9.024 1.00 0.29 C ATOM 0 HA PRO A 528 -4.941 8.410 -10.330 1.00 0.33 H new ATOM 0 HB2 PRO A 528 -7.852 8.322 -9.985 1.00 0.38 H new ATOM 0 HB3 PRO A 528 -6.954 7.943 -11.441 1.00 0.38 H new ATOM 0 HG2 PRO A 528 -8.342 6.089 -9.921 1.00 0.37 H new ATOM 0 HG3 PRO A 528 -7.072 5.691 -11.060 1.00 0.37 H new ATOM 0 HD2 PRO A 528 -6.963 5.784 -8.082 1.00 0.29 H new ATOM 0 HD3 PRO A 528 -6.023 4.810 -9.194 1.00 0.29 H new ATOM 472 N GLU A 529 -5.372 10.337 -8.911 1.00 0.41 N ATOM 473 CA GLU A 529 -5.556 11.493 -8.047 1.00 0.46 C ATOM 474 C GLU A 529 -7.010 11.939 -8.085 1.00 0.47 C ATOM 475 O GLU A 529 -7.584 12.110 -9.162 1.00 0.53 O ATOM 476 CB GLU A 529 -4.625 12.625 -8.471 1.00 0.57 C ATOM 477 CG GLU A 529 -4.847 13.921 -7.710 1.00 0.66 C ATOM 478 CD GLU A 529 -3.900 15.014 -8.150 1.00 1.12 C ATOM 479 OE1 GLU A 529 -3.725 15.197 -9.372 1.00 1.60 O ATOM 480 OE2 GLU A 529 -3.333 15.705 -7.277 1.00 1.41 O ATOM 0 H GLU A 529 -4.781 10.508 -9.725 1.00 0.41 H new ATOM 0 HA GLU A 529 -5.306 11.218 -7.022 1.00 0.46 H new ATOM 0 HB2 GLU A 529 -3.592 12.305 -8.331 1.00 0.57 H new ATOM 0 HB3 GLU A 529 -4.759 12.813 -9.536 1.00 0.57 H new ATOM 0 HG2 GLU A 529 -5.875 14.254 -7.855 1.00 0.66 H new ATOM 0 HG3 GLU A 529 -4.718 13.740 -6.643 1.00 0.66 H new ATOM 487 N GLY A 530 -7.606 12.120 -6.919 1.00 0.46 N ATOM 488 CA GLY A 530 -9.030 12.370 -6.850 1.00 0.48 C ATOM 489 C GLY A 530 -9.785 11.072 -6.682 1.00 0.43 C ATOM 490 O GLY A 530 -11.014 11.045 -6.640 1.00 0.46 O ATOM 0 H GLY A 530 -7.130 12.098 -6.017 1.00 0.46 H new ATOM 0 HA2 GLY A 530 -9.249 13.036 -6.015 1.00 0.48 H new ATOM 0 HA3 GLY A 530 -9.361 12.876 -7.757 1.00 0.48 H new ATOM 494 N SER A 531 -9.027 9.988 -6.577 1.00 0.37 N ATOM 495 CA SER A 531 -9.585 8.655 -6.455 1.00 0.35 C ATOM 496 C SER A 531 -8.725 7.815 -5.511 1.00 0.28 C ATOM 497 O SER A 531 -8.925 6.606 -5.371 1.00 0.30 O ATOM 498 CB SER A 531 -9.641 8.000 -7.833 1.00 0.40 C ATOM 499 OG SER A 531 -10.299 8.839 -8.772 1.00 1.08 O ATOM 0 H SER A 531 -8.007 10.012 -6.574 1.00 0.37 H new ATOM 0 HA SER A 531 -10.593 8.721 -6.046 1.00 0.35 H new ATOM 0 HB2 SER A 531 -8.630 7.786 -8.178 1.00 0.40 H new ATOM 0 HB3 SER A 531 -10.163 7.046 -7.765 1.00 0.40 H new ATOM 0 HG SER A 531 -10.182 8.475 -9.674 1.00 1.08 H new ATOM 505 N CYS A 532 -7.770 8.468 -4.856 1.00 0.24 N ATOM 506 CA CYS A 532 -6.884 7.787 -3.923 1.00 0.20 C ATOM 507 C CYS A 532 -7.504 7.822 -2.540 1.00 0.18 C ATOM 508 O CYS A 532 -7.296 8.775 -1.788 1.00 0.21 O ATOM 509 CB CYS A 532 -5.509 8.462 -3.869 1.00 0.21 C ATOM 510 SG CYS A 532 -4.672 8.608 -5.462 1.00 0.25 S ATOM 0 H CYS A 532 -7.591 9.467 -4.955 1.00 0.24 H new ATOM 0 HA CYS A 532 -6.751 6.759 -4.261 1.00 0.20 H new ATOM 0 HB2 CYS A 532 -5.626 9.459 -3.444 1.00 0.21 H new ATOM 0 HB3 CYS A 532 -4.870 7.898 -3.189 1.00 0.21 H new ATOM 0 HG CYS A 532 -5.506 8.323 -6.418 1.00 0.25 H new ATOM 516 N THR A 533 -8.278 6.809 -2.205 1.00 0.17 N ATOM 517 CA THR A 533 -8.940 6.789 -0.921 1.00 0.18 C ATOM 518 C THR A 533 -8.188 5.883 0.039 1.00 0.17 C ATOM 519 O THR A 533 -7.583 4.892 -0.369 1.00 0.18 O ATOM 520 CB THR A 533 -10.387 6.294 -1.095 1.00 0.26 C ATOM 521 OG1 THR A 533 -10.371 4.978 -1.661 1.00 0.35 O ATOM 522 CG2 THR A 533 -11.178 7.230 -1.997 1.00 0.28 C ATOM 0 H THR A 533 -8.461 5.999 -2.797 1.00 0.17 H new ATOM 0 HA THR A 533 -8.955 7.798 -0.508 1.00 0.18 H new ATOM 0 HB THR A 533 -10.869 6.274 -0.118 1.00 0.26 H new ATOM 0 HG1 THR A 533 -11.196 4.508 -1.419 1.00 0.35 H new ATOM 0 HG21 THR A 533 -12.197 6.858 -2.104 1.00 0.28 H new ATOM 0 HG22 THR A 533 -11.200 8.227 -1.557 1.00 0.28 H new ATOM 0 HG23 THR A 533 -10.704 7.277 -2.978 1.00 0.28 H new ATOM 530 N GLU A 534 -8.240 6.226 1.317 1.00 0.19 N ATOM 531 CA GLU A 534 -7.534 5.479 2.347 1.00 0.20 C ATOM 532 C GLU A 534 -8.157 4.108 2.526 1.00 0.19 C ATOM 533 O GLU A 534 -7.464 3.112 2.754 1.00 0.20 O ATOM 534 CB GLU A 534 -7.516 6.271 3.659 1.00 0.23 C ATOM 535 CG GLU A 534 -6.986 7.693 3.490 1.00 0.27 C ATOM 536 CD GLU A 534 -7.020 8.494 4.775 1.00 0.93 C ATOM 537 OE1 GLU A 534 -8.107 8.606 5.384 1.00 1.17 O ATOM 538 OE2 GLU A 534 -5.971 9.048 5.162 1.00 1.64 O ATOM 0 H GLU A 534 -8.769 7.024 1.668 1.00 0.19 H new ATOM 0 HA GLU A 534 -6.500 5.332 2.036 1.00 0.20 H new ATOM 0 HB2 GLU A 534 -8.526 6.312 4.066 1.00 0.23 H new ATOM 0 HB3 GLU A 534 -6.900 5.744 4.387 1.00 0.23 H new ATOM 0 HG2 GLU A 534 -5.961 7.651 3.121 1.00 0.27 H new ATOM 0 HG3 GLU A 534 -7.577 8.207 2.732 1.00 0.27 H new ATOM 545 N ASN A 535 -9.474 4.070 2.391 1.00 0.20 N ATOM 546 CA ASN A 535 -10.230 2.857 2.640 1.00 0.22 C ATOM 547 C ASN A 535 -9.872 1.768 1.635 1.00 0.21 C ATOM 548 O ASN A 535 -9.523 0.673 2.031 1.00 0.21 O ATOM 549 CB ASN A 535 -11.734 3.137 2.568 1.00 0.27 C ATOM 550 CG ASN A 535 -12.573 1.936 2.976 1.00 0.96 C ATOM 551 OD1 ASN A 535 -12.206 1.180 3.875 1.00 1.82 O ATOM 552 ND2 ASN A 535 -13.702 1.746 2.314 1.00 1.38 N ATOM 0 H ASN A 535 -10.041 4.870 2.109 1.00 0.20 H new ATOM 0 HA ASN A 535 -9.972 2.510 3.641 1.00 0.22 H new ATOM 0 HB2 ASN A 535 -11.974 3.980 3.216 1.00 0.27 H new ATOM 0 HB3 ASN A 535 -11.997 3.431 1.552 1.00 0.27 H new ATOM 0 HD21 ASN A 535 -14.300 0.952 2.543 1.00 1.38 H new ATOM 0 HD22 ASN A 535 -13.975 2.393 1.574 1.00 1.38 H new ATOM 559 N ASP A 536 -9.874 2.102 0.344 1.00 0.21 N ATOM 560 CA ASP A 536 -9.749 1.090 -0.715 1.00 0.22 C ATOM 561 C ASP A 536 -8.340 0.507 -0.771 1.00 0.17 C ATOM 562 O ASP A 536 -8.154 -0.693 -0.973 1.00 0.16 O ATOM 563 CB ASP A 536 -10.132 1.681 -2.075 1.00 0.27 C ATOM 564 CG ASP A 536 -11.608 2.029 -2.162 1.00 0.37 C ATOM 565 OD1 ASP A 536 -12.354 1.309 -2.865 1.00 0.44 O ATOM 566 OD2 ASP A 536 -12.038 3.013 -1.525 1.00 0.61 O ATOM 0 H ASP A 536 -9.960 3.060 0.004 1.00 0.21 H new ATOM 0 HA ASP A 536 -10.438 0.280 -0.476 1.00 0.22 H new ATOM 0 HB2 ASP A 536 -9.539 2.577 -2.258 1.00 0.27 H new ATOM 0 HB3 ASP A 536 -9.883 0.968 -2.861 1.00 0.27 H new ATOM 571 N VAL A 537 -7.360 1.378 -0.590 1.00 0.15 N ATOM 572 CA VAL A 537 -5.956 0.973 -0.573 1.00 0.13 C ATOM 573 C VAL A 537 -5.732 -0.053 0.544 1.00 0.12 C ATOM 574 O VAL A 537 -5.153 -1.131 0.337 1.00 0.13 O ATOM 575 CB VAL A 537 -5.034 2.203 -0.387 1.00 0.12 C ATOM 576 CG1 VAL A 537 -3.563 1.822 -0.426 1.00 0.12 C ATOM 577 CG2 VAL A 537 -5.327 3.229 -1.465 1.00 0.13 C ATOM 0 H VAL A 537 -7.509 2.378 -0.452 1.00 0.15 H new ATOM 0 HA VAL A 537 -5.706 0.513 -1.529 1.00 0.13 H new ATOM 0 HB VAL A 537 -5.240 2.626 0.596 1.00 0.12 H new ATOM 0 HG11 VAL A 537 -2.952 2.715 -0.292 1.00 0.12 H new ATOM 0 HG12 VAL A 537 -3.350 1.113 0.374 1.00 0.12 H new ATOM 0 HG13 VAL A 537 -3.331 1.365 -1.388 1.00 0.12 H new ATOM 0 HG21 VAL A 537 -4.676 4.093 -1.331 1.00 0.13 H new ATOM 0 HG22 VAL A 537 -5.147 2.788 -2.445 1.00 0.13 H new ATOM 0 HG23 VAL A 537 -6.368 3.544 -1.394 1.00 0.13 H new ATOM 587 N ILE A 538 -6.237 0.271 1.719 1.00 0.12 N ATOM 588 CA ILE A 538 -6.192 -0.645 2.841 1.00 0.12 C ATOM 589 C ILE A 538 -7.106 -1.859 2.623 1.00 0.12 C ATOM 590 O ILE A 538 -6.806 -2.954 3.097 1.00 0.12 O ATOM 591 CB ILE A 538 -6.518 0.057 4.166 1.00 0.14 C ATOM 592 CG1 ILE A 538 -5.437 1.090 4.477 1.00 0.16 C ATOM 593 CG2 ILE A 538 -6.622 -0.959 5.288 1.00 0.14 C ATOM 594 CD1 ILE A 538 -5.576 1.707 5.846 1.00 0.23 C ATOM 0 H ILE A 538 -6.685 1.165 1.921 1.00 0.12 H new ATOM 0 HA ILE A 538 -5.167 -1.010 2.906 1.00 0.12 H new ATOM 0 HB ILE A 538 -7.478 0.565 4.076 1.00 0.14 H new ATOM 0 HG12 ILE A 538 -4.458 0.616 4.397 1.00 0.16 H new ATOM 0 HG13 ILE A 538 -5.471 1.879 3.726 1.00 0.16 H new ATOM 0 HG21 ILE A 538 -6.854 -0.447 6.222 1.00 0.14 H new ATOM 0 HG22 ILE A 538 -7.413 -1.673 5.060 1.00 0.14 H new ATOM 0 HG23 ILE A 538 -5.674 -1.488 5.389 1.00 0.14 H new ATOM 0 HD11 ILE A 538 -4.776 2.431 6.002 1.00 0.23 H new ATOM 0 HD12 ILE A 538 -6.540 2.209 5.923 1.00 0.23 H new ATOM 0 HD13 ILE A 538 -5.512 0.927 6.605 1.00 0.23 H new ATOM 606 N ASN A 539 -8.229 -1.664 1.926 1.00 0.12 N ATOM 607 CA ASN A 539 -9.145 -2.768 1.622 1.00 0.14 C ATOM 608 C ASN A 539 -8.419 -3.860 0.862 1.00 0.15 C ATOM 609 O ASN A 539 -8.820 -5.019 0.903 1.00 0.17 O ATOM 610 CB ASN A 539 -10.350 -2.338 0.764 1.00 0.17 C ATOM 611 CG ASN A 539 -11.330 -1.400 1.447 1.00 0.20 C ATOM 612 OD1 ASN A 539 -11.975 -0.586 0.786 1.00 0.25 O ATOM 613 ND2 ASN A 539 -11.461 -1.504 2.757 1.00 0.21 N ATOM 0 H ASN A 539 -8.525 -0.758 1.563 1.00 0.12 H new ATOM 0 HA ASN A 539 -9.509 -3.121 2.587 1.00 0.14 H new ATOM 0 HB2 ASN A 539 -9.978 -1.854 -0.139 1.00 0.17 H new ATOM 0 HB3 ASN A 539 -10.888 -3.232 0.448 1.00 0.17 H new ATOM 0 HD21 ASN A 539 -12.114 -0.898 3.254 1.00 0.21 H new ATOM 0 HD22 ASN A 539 -10.910 -2.191 3.272 1.00 0.21 H new ATOM 620 N LEU A 540 -7.390 -3.481 0.127 1.00 0.15 N ATOM 621 CA LEU A 540 -6.545 -4.457 -0.530 1.00 0.17 C ATOM 622 C LEU A 540 -5.605 -5.099 0.483 1.00 0.16 C ATOM 623 O LEU A 540 -5.411 -6.313 0.484 1.00 0.19 O ATOM 624 CB LEU A 540 -5.726 -3.775 -1.621 1.00 0.19 C ATOM 625 CG LEU A 540 -6.539 -3.123 -2.734 1.00 0.22 C ATOM 626 CD1 LEU A 540 -5.613 -2.417 -3.703 1.00 0.27 C ATOM 627 CD2 LEU A 540 -7.396 -4.152 -3.458 1.00 0.24 C ATOM 0 H LEU A 540 -7.121 -2.509 -0.029 1.00 0.15 H new ATOM 0 HA LEU A 540 -7.174 -5.228 -0.974 1.00 0.17 H new ATOM 0 HB2 LEU A 540 -5.098 -3.014 -1.159 1.00 0.19 H new ATOM 0 HB3 LEU A 540 -5.058 -4.513 -2.066 1.00 0.19 H new ATOM 0 HG LEU A 540 -7.210 -2.388 -2.290 1.00 0.22 H new ATOM 0 HD11 LEU A 540 -6.200 -1.953 -4.496 1.00 0.27 H new ATOM 0 HD12 LEU A 540 -5.049 -1.649 -3.173 1.00 0.27 H new ATOM 0 HD13 LEU A 540 -4.923 -3.139 -4.138 1.00 0.27 H new ATOM 0 HD21 LEU A 540 -7.966 -3.661 -4.247 1.00 0.24 H new ATOM 0 HD22 LEU A 540 -6.754 -4.917 -3.896 1.00 0.24 H new ATOM 0 HD23 LEU A 540 -8.083 -4.617 -2.750 1.00 0.24 H new ATOM 639 N GLY A 541 -5.050 -4.267 1.363 1.00 0.14 N ATOM 640 CA GLY A 541 -4.111 -4.756 2.364 1.00 0.16 C ATOM 641 C GLY A 541 -4.691 -5.718 3.391 1.00 0.15 C ATOM 642 O GLY A 541 -4.188 -6.823 3.560 1.00 0.19 O ATOM 0 H GLY A 541 -5.233 -3.264 1.402 1.00 0.14 H new ATOM 0 HA2 GLY A 541 -3.287 -5.252 1.852 1.00 0.16 H new ATOM 0 HA3 GLY A 541 -3.690 -3.900 2.891 1.00 0.16 H new ATOM 646 N LEU A 542 -5.776 -5.325 4.038 1.00 0.13 N ATOM 647 CA LEU A 542 -6.289 -6.058 5.202 1.00 0.14 C ATOM 648 C LEU A 542 -6.592 -7.546 4.946 1.00 0.16 C ATOM 649 O LEU A 542 -6.250 -8.382 5.784 1.00 0.20 O ATOM 650 CB LEU A 542 -7.523 -5.362 5.768 1.00 0.13 C ATOM 651 CG LEU A 542 -7.232 -4.139 6.636 1.00 0.14 C ATOM 652 CD1 LEU A 542 -8.515 -3.381 6.929 1.00 0.16 C ATOM 653 CD2 LEU A 542 -6.559 -4.562 7.933 1.00 0.16 C ATOM 0 H LEU A 542 -6.324 -4.503 3.783 1.00 0.13 H new ATOM 0 HA LEU A 542 -5.477 -6.045 5.929 1.00 0.14 H new ATOM 0 HB2 LEU A 542 -8.162 -5.057 4.939 1.00 0.13 H new ATOM 0 HB3 LEU A 542 -8.089 -6.082 6.359 1.00 0.13 H new ATOM 0 HG LEU A 542 -6.557 -3.479 6.092 1.00 0.14 H new ATOM 0 HD11 LEU A 542 -8.291 -2.512 7.548 1.00 0.16 H new ATOM 0 HD12 LEU A 542 -8.965 -3.052 5.992 1.00 0.16 H new ATOM 0 HD13 LEU A 542 -9.211 -4.033 7.457 1.00 0.16 H new ATOM 0 HD21 LEU A 542 -6.357 -3.681 8.542 1.00 0.16 H new ATOM 0 HD22 LEU A 542 -7.216 -5.239 8.480 1.00 0.16 H new ATOM 0 HD23 LEU A 542 -5.621 -5.070 7.708 1.00 0.16 H new ATOM 665 N PRO A 543 -7.248 -7.917 3.828 1.00 0.17 N ATOM 666 CA PRO A 543 -7.606 -9.319 3.562 1.00 0.19 C ATOM 667 C PRO A 543 -6.400 -10.251 3.456 1.00 0.20 C ATOM 668 O PRO A 543 -6.518 -11.447 3.727 1.00 0.23 O ATOM 669 CB PRO A 543 -8.348 -9.258 2.225 1.00 0.22 C ATOM 670 CG PRO A 543 -8.812 -7.851 2.124 1.00 0.21 C ATOM 671 CD PRO A 543 -7.728 -7.036 2.757 1.00 0.17 C ATOM 0 HA PRO A 543 -8.195 -9.731 4.382 1.00 0.19 H new ATOM 0 HB2 PRO A 543 -7.693 -9.521 1.395 1.00 0.22 H new ATOM 0 HB3 PRO A 543 -9.186 -9.955 2.203 1.00 0.22 H new ATOM 0 HG2 PRO A 543 -8.967 -7.561 1.085 1.00 0.21 H new ATOM 0 HG3 PRO A 543 -9.762 -7.711 2.640 1.00 0.21 H new ATOM 0 HD2 PRO A 543 -6.937 -6.793 2.047 1.00 0.17 H new ATOM 0 HD3 PRO A 543 -8.107 -6.092 3.148 1.00 0.17 H new ATOM 679 N PHE A 544 -5.244 -9.724 3.062 1.00 0.20 N ATOM 680 CA PHE A 544 -4.039 -10.542 2.961 1.00 0.22 C ATOM 681 C PHE A 544 -3.159 -10.382 4.196 1.00 0.22 C ATOM 682 O PHE A 544 -2.178 -11.105 4.366 1.00 0.28 O ATOM 683 CB PHE A 544 -3.228 -10.162 1.723 1.00 0.23 C ATOM 684 CG PHE A 544 -3.943 -10.354 0.420 1.00 0.25 C ATOM 685 CD1 PHE A 544 -3.998 -11.599 -0.178 1.00 0.29 C ATOM 686 CD2 PHE A 544 -4.543 -9.281 -0.216 1.00 0.28 C ATOM 687 CE1 PHE A 544 -4.639 -11.774 -1.388 1.00 0.33 C ATOM 688 CE2 PHE A 544 -5.189 -9.448 -1.423 1.00 0.32 C ATOM 689 CZ PHE A 544 -5.236 -10.696 -2.011 1.00 0.33 C ATOM 0 H PHE A 544 -5.116 -8.744 2.810 1.00 0.20 H new ATOM 0 HA PHE A 544 -4.360 -11.581 2.883 1.00 0.22 H new ATOM 0 HB2 PHE A 544 -2.931 -9.117 1.808 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.313 -10.754 1.710 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -3.534 -12.445 0.307 1.00 0.29 H new ATOM 0 HD2 PHE A 544 -4.505 -8.302 0.238 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -4.673 -12.751 -1.846 1.00 0.33 H new ATOM 0 HE2 PHE A 544 -5.657 -8.604 -1.907 1.00 0.32 H new ATOM 0 HZ PHE A 544 -5.739 -10.829 -2.957 1.00 0.33 H new ATOM 699 N GLY A 545 -3.505 -9.429 5.047 1.00 0.19 N ATOM 700 CA GLY A 545 -2.712 -9.167 6.230 1.00 0.21 C ATOM 701 C GLY A 545 -3.121 -7.880 6.911 1.00 0.21 C ATOM 702 O GLY A 545 -3.623 -6.963 6.269 1.00 0.44 O ATOM 0 H GLY A 545 -4.324 -8.830 4.939 1.00 0.19 H new ATOM 0 HA2 GLY A 545 -2.818 -9.997 6.929 1.00 0.21 H new ATOM 0 HA3 GLY A 545 -1.658 -9.114 5.956 1.00 0.21 H new ATOM 706 N LYS A 546 -2.916 -7.811 8.212 1.00 0.27 N ATOM 707 CA LYS A 546 -3.311 -6.645 8.986 1.00 0.25 C ATOM 708 C LYS A 546 -2.497 -5.411 8.600 1.00 0.20 C ATOM 709 O LYS A 546 -1.270 -5.458 8.517 1.00 0.24 O ATOM 710 CB LYS A 546 -3.152 -6.937 10.477 1.00 0.35 C ATOM 711 CG LYS A 546 -3.562 -5.785 11.376 1.00 0.41 C ATOM 712 CD LYS A 546 -3.507 -6.196 12.834 1.00 0.92 C ATOM 713 CE LYS A 546 -3.918 -5.065 13.755 1.00 1.60 C ATOM 714 NZ LYS A 546 -3.993 -5.517 15.167 1.00 2.07 N ATOM 0 H LYS A 546 -2.476 -8.551 8.759 1.00 0.27 H new ATOM 0 HA LYS A 546 -4.357 -6.432 8.766 1.00 0.25 H new ATOM 0 HB2 LYS A 546 -3.748 -7.813 10.731 1.00 0.35 H new ATOM 0 HB3 LYS A 546 -2.111 -7.190 10.679 1.00 0.35 H new ATOM 0 HG2 LYS A 546 -2.902 -4.934 11.208 1.00 0.41 H new ATOM 0 HG3 LYS A 546 -4.571 -5.461 11.122 1.00 0.41 H new ATOM 0 HD2 LYS A 546 -4.162 -7.052 12.995 1.00 0.92 H new ATOM 0 HD3 LYS A 546 -2.496 -6.518 13.083 1.00 0.92 H new ATOM 0 HE2 LYS A 546 -3.203 -4.247 13.671 1.00 1.60 H new ATOM 0 HE3 LYS A 546 -4.887 -4.675 13.444 1.00 1.60 H new ATOM 0 HZ1 LYS A 546 -4.277 -4.720 15.772 1.00 2.07 H new ATOM 0 HZ2 LYS A 546 -4.693 -6.281 15.250 1.00 2.07 H new ATOM 0 HZ3 LYS A 546 -3.061 -5.867 15.469 1.00 2.07 H new ATOM 728 N VAL A 547 -3.201 -4.316 8.353 1.00 0.16 N ATOM 729 CA VAL A 547 -2.579 -3.047 8.022 1.00 0.15 C ATOM 730 C VAL A 547 -2.315 -2.233 9.281 1.00 0.18 C ATOM 731 O VAL A 547 -3.243 -1.874 10.008 1.00 0.20 O ATOM 732 CB VAL A 547 -3.479 -2.244 7.062 1.00 0.16 C ATOM 733 CG1 VAL A 547 -2.920 -0.854 6.801 1.00 0.18 C ATOM 734 CG2 VAL A 547 -3.653 -3.004 5.756 1.00 0.14 C ATOM 0 H VAL A 547 -4.220 -4.285 8.377 1.00 0.16 H new ATOM 0 HA VAL A 547 -1.628 -3.253 7.532 1.00 0.15 H new ATOM 0 HB VAL A 547 -4.453 -2.120 7.536 1.00 0.16 H new ATOM 0 HG11 VAL A 547 -3.581 -0.318 6.120 1.00 0.18 H new ATOM 0 HG12 VAL A 547 -2.848 -0.308 7.742 1.00 0.18 H new ATOM 0 HG13 VAL A 547 -1.930 -0.938 6.354 1.00 0.18 H new ATOM 0 HG21 VAL A 547 -4.290 -2.430 5.083 1.00 0.14 H new ATOM 0 HG22 VAL A 547 -2.679 -3.157 5.291 1.00 0.14 H new ATOM 0 HG23 VAL A 547 -4.115 -3.971 5.956 1.00 0.14 H new ATOM 744 N THR A 548 -1.046 -1.977 9.553 1.00 0.20 N ATOM 745 CA THR A 548 -0.669 -1.164 10.693 1.00 0.23 C ATOM 746 C THR A 548 -0.464 0.299 10.307 1.00 0.23 C ATOM 747 O THR A 548 -0.801 1.205 11.075 1.00 0.27 O ATOM 748 CB THR A 548 0.613 -1.718 11.342 1.00 0.27 C ATOM 749 OG1 THR A 548 1.604 -1.952 10.332 1.00 0.26 O ATOM 750 CG2 THR A 548 0.325 -3.013 12.087 1.00 0.31 C ATOM 0 H THR A 548 -0.261 -2.321 8.999 1.00 0.20 H new ATOM 0 HA THR A 548 -1.489 -1.208 11.410 1.00 0.23 H new ATOM 0 HB THR A 548 0.984 -0.983 12.056 1.00 0.27 H new ATOM 0 HG1 THR A 548 2.258 -1.222 10.340 1.00 0.26 H new ATOM 0 HG21 THR A 548 1.245 -3.386 12.537 1.00 0.31 H new ATOM 0 HG22 THR A 548 -0.412 -2.827 12.868 1.00 0.31 H new ATOM 0 HG23 THR A 548 -0.064 -3.755 11.390 1.00 0.31 H new ATOM 758 N ASN A 549 0.058 0.529 9.109 1.00 0.20 N ATOM 759 CA ASN A 549 0.305 1.887 8.631 1.00 0.21 C ATOM 760 C ASN A 549 0.051 1.992 7.135 1.00 0.18 C ATOM 761 O ASN A 549 0.056 0.993 6.425 1.00 0.20 O ATOM 762 CB ASN A 549 1.740 2.336 8.953 1.00 0.26 C ATOM 763 CG ASN A 549 1.969 2.574 10.435 1.00 0.40 C ATOM 764 OD1 ASN A 549 2.324 1.662 11.180 1.00 1.26 O ATOM 765 ND2 ASN A 549 1.781 3.805 10.872 1.00 0.81 N ATOM 0 H ASN A 549 0.319 -0.205 8.450 1.00 0.20 H new ATOM 0 HA ASN A 549 -0.389 2.548 9.150 1.00 0.21 H new ATOM 0 HB2 ASN A 549 2.440 1.578 8.600 1.00 0.26 H new ATOM 0 HB3 ASN A 549 1.960 3.252 8.405 1.00 0.26 H new ATOM 0 HD21 ASN A 549 1.930 4.025 11.857 1.00 0.81 H new ATOM 0 HD22 ASN A 549 1.486 4.536 10.225 1.00 0.81 H new ATOM 772 N TYR A 550 -0.202 3.208 6.676 1.00 0.17 N ATOM 773 CA TYR A 550 -0.505 3.466 5.277 1.00 0.17 C ATOM 774 C TYR A 550 -0.310 4.944 4.974 1.00 0.17 C ATOM 775 O TYR A 550 -0.443 5.779 5.867 1.00 0.17 O ATOM 776 CB TYR A 550 -1.946 3.046 4.972 1.00 0.17 C ATOM 777 CG TYR A 550 -2.970 3.730 5.849 1.00 0.17 C ATOM 778 CD1 TYR A 550 -3.882 4.623 5.313 1.00 0.19 C ATOM 779 CD2 TYR A 550 -3.020 3.485 7.218 1.00 0.19 C ATOM 780 CE1 TYR A 550 -4.815 5.252 6.114 1.00 0.22 C ATOM 781 CE2 TYR A 550 -3.947 4.109 8.020 1.00 0.24 C ATOM 782 CZ TYR A 550 -4.841 4.990 7.464 1.00 0.25 C ATOM 783 OH TYR A 550 -5.766 5.609 8.260 1.00 0.31 O ATOM 0 H TYR A 550 -0.203 4.043 7.262 1.00 0.17 H new ATOM 0 HA TYR A 550 0.170 2.885 4.648 1.00 0.17 H new ATOM 0 HB2 TYR A 550 -2.168 3.267 3.928 1.00 0.17 H new ATOM 0 HB3 TYR A 550 -2.036 1.967 5.096 1.00 0.17 H new ATOM 0 HD1 TYR A 550 -3.864 4.831 4.253 1.00 0.19 H new ATOM 0 HD2 TYR A 550 -2.318 2.792 7.659 1.00 0.19 H new ATOM 0 HE1 TYR A 550 -5.521 5.946 5.682 1.00 0.22 H new ATOM 0 HE2 TYR A 550 -3.971 3.907 9.081 1.00 0.24 H new ATOM 0 HH TYR A 550 -6.073 4.985 8.951 1.00 0.31 H new ATOM 793 N ILE A 551 0.004 5.268 3.728 1.00 0.18 N ATOM 794 CA ILE A 551 0.252 6.645 3.321 1.00 0.16 C ATOM 795 C ILE A 551 -0.292 6.841 1.920 1.00 0.17 C ATOM 796 O ILE A 551 0.002 6.047 1.037 1.00 0.20 O ATOM 797 CB ILE A 551 1.763 6.964 3.290 1.00 0.18 C ATOM 798 CG1 ILE A 551 2.413 6.658 4.644 1.00 0.19 C ATOM 799 CG2 ILE A 551 2.002 8.416 2.900 1.00 0.22 C ATOM 800 CD1 ILE A 551 3.917 6.814 4.654 1.00 0.20 C ATOM 0 H ILE A 551 0.094 4.588 2.973 1.00 0.18 H new ATOM 0 HA ILE A 551 -0.234 7.304 4.041 1.00 0.16 H new ATOM 0 HB ILE A 551 2.225 6.326 2.536 1.00 0.18 H new ATOM 0 HG12 ILE A 551 1.985 7.318 5.398 1.00 0.19 H new ATOM 0 HG13 ILE A 551 2.162 5.638 4.934 1.00 0.19 H new ATOM 0 HG21 ILE A 551 3.073 8.617 2.885 1.00 0.22 H new ATOM 0 HG22 ILE A 551 1.584 8.600 1.910 1.00 0.22 H new ATOM 0 HG23 ILE A 551 1.520 9.072 3.625 1.00 0.22 H new ATOM 0 HD11 ILE A 551 4.300 6.580 5.647 1.00 0.20 H new ATOM 0 HD12 ILE A 551 4.358 6.134 3.925 1.00 0.20 H new ATOM 0 HD13 ILE A 551 4.178 7.841 4.397 1.00 0.20 H new ATOM 812 N LEU A 552 -1.080 7.871 1.700 1.00 0.16 N ATOM 813 CA LEU A 552 -1.628 8.109 0.378 1.00 0.19 C ATOM 814 C LEU A 552 -0.944 9.295 -0.269 1.00 0.19 C ATOM 815 O LEU A 552 -1.054 10.408 0.233 1.00 0.26 O ATOM 816 CB LEU A 552 -3.129 8.356 0.440 1.00 0.27 C ATOM 817 CG LEU A 552 -3.990 7.156 0.782 1.00 0.30 C ATOM 818 CD1 LEU A 552 -5.436 7.518 0.553 1.00 0.43 C ATOM 819 CD2 LEU A 552 -3.604 5.942 -0.045 1.00 0.42 C ATOM 0 H LEU A 552 -1.355 8.551 2.409 1.00 0.16 H new ATOM 0 HA LEU A 552 -1.449 7.216 -0.221 1.00 0.19 H new ATOM 0 HB2 LEU A 552 -3.318 9.135 1.178 1.00 0.27 H new ATOM 0 HB3 LEU A 552 -3.452 8.746 -0.525 1.00 0.27 H new ATOM 0 HG LEU A 552 -3.835 6.892 1.828 1.00 0.30 H new ATOM 0 HD11 LEU A 552 -6.068 6.663 0.795 1.00 0.43 H new ATOM 0 HD12 LEU A 552 -5.705 8.361 1.190 1.00 0.43 H new ATOM 0 HD13 LEU A 552 -5.581 7.792 -0.492 1.00 0.43 H new ATOM 0 HD21 LEU A 552 -4.241 5.100 0.226 1.00 0.42 H new ATOM 0 HD22 LEU A 552 -3.731 6.168 -1.104 1.00 0.42 H new ATOM 0 HD23 LEU A 552 -2.562 5.686 0.149 1.00 0.42 H new ATOM 831 N MET A 553 -0.281 9.089 -1.396 1.00 0.18 N ATOM 832 CA MET A 553 0.407 10.193 -2.038 1.00 0.26 C ATOM 833 C MET A 553 -0.333 10.572 -3.305 1.00 0.26 C ATOM 834 O MET A 553 0.018 10.164 -4.414 1.00 0.25 O ATOM 835 CB MET A 553 1.856 9.823 -2.361 1.00 0.35 C ATOM 836 CG MET A 553 2.670 9.429 -1.141 1.00 0.56 C ATOM 837 SD MET A 553 4.366 8.982 -1.554 1.00 1.03 S ATOM 838 CE MET A 553 4.099 7.587 -2.642 1.00 0.80 C ATOM 0 H MET A 553 -0.206 8.191 -1.874 1.00 0.18 H new ATOM 0 HA MET A 553 0.425 11.043 -1.356 1.00 0.26 H new ATOM 0 HB2 MET A 553 1.861 8.998 -3.073 1.00 0.35 H new ATOM 0 HB3 MET A 553 2.338 10.669 -2.851 1.00 0.35 H new ATOM 0 HG2 MET A 553 2.679 10.257 -0.432 1.00 0.56 H new ATOM 0 HG3 MET A 553 2.188 8.588 -0.643 1.00 0.56 H new ATOM 0 HE1 MET A 553 4.841 6.816 -2.434 1.00 0.80 H new ATOM 0 HE2 MET A 553 3.100 7.183 -2.477 1.00 0.80 H new ATOM 0 HE3 MET A 553 4.192 7.911 -3.679 1.00 0.80 H new ATOM 848 N LYS A 554 -1.368 11.365 -3.101 1.00 0.32 N ATOM 849 CA LYS A 554 -2.179 11.918 -4.179 1.00 0.37 C ATOM 850 C LYS A 554 -1.343 12.638 -5.232 1.00 0.38 C ATOM 851 O LYS A 554 -1.735 12.708 -6.395 1.00 0.40 O ATOM 852 CB LYS A 554 -3.218 12.886 -3.607 1.00 0.47 C ATOM 853 CG LYS A 554 -3.579 12.639 -2.142 1.00 0.43 C ATOM 854 CD LYS A 554 -4.226 11.278 -1.906 1.00 0.37 C ATOM 855 CE LYS A 554 -4.723 11.155 -0.472 1.00 0.39 C ATOM 856 NZ LYS A 554 -5.668 12.247 -0.110 1.00 1.03 N ATOM 0 H LYS A 554 -1.676 11.649 -2.171 1.00 0.32 H new ATOM 0 HA LYS A 554 -2.672 11.078 -4.668 1.00 0.37 H new ATOM 0 HB2 LYS A 554 -2.842 13.904 -3.708 1.00 0.47 H new ATOM 0 HB3 LYS A 554 -4.125 12.821 -4.207 1.00 0.47 H new ATOM 0 HG2 LYS A 554 -2.678 12.716 -1.534 1.00 0.43 H new ATOM 0 HG3 LYS A 554 -4.259 13.421 -1.805 1.00 0.43 H new ATOM 0 HD2 LYS A 554 -5.058 11.142 -2.597 1.00 0.37 H new ATOM 0 HD3 LYS A 554 -3.506 10.487 -2.115 1.00 0.37 H new ATOM 0 HE2 LYS A 554 -5.216 10.192 -0.341 1.00 0.39 H new ATOM 0 HE3 LYS A 554 -3.872 11.172 0.209 1.00 0.39 H new ATOM 0 HZ1 LYS A 554 -6.232 11.959 0.715 1.00 1.03 H new ATOM 0 HZ2 LYS A 554 -5.132 13.108 0.121 1.00 1.03 H new ATOM 0 HZ3 LYS A 554 -6.301 12.439 -0.913 1.00 1.03 H new ATOM 870 N SER A 555 -0.198 13.171 -4.836 1.00 0.40 N ATOM 871 CA SER A 555 0.602 13.985 -5.727 1.00 0.44 C ATOM 872 C SER A 555 1.216 13.142 -6.848 1.00 0.38 C ATOM 873 O SER A 555 1.166 13.518 -8.022 1.00 0.38 O ATOM 874 CB SER A 555 1.696 14.681 -4.919 1.00 0.51 C ATOM 875 OG SER A 555 2.488 13.730 -4.224 1.00 0.50 O ATOM 0 H SER A 555 0.195 13.052 -3.902 1.00 0.40 H new ATOM 0 HA SER A 555 -0.039 14.732 -6.195 1.00 0.44 H new ATOM 0 HB2 SER A 555 2.327 15.271 -5.584 1.00 0.51 H new ATOM 0 HB3 SER A 555 1.245 15.375 -4.209 1.00 0.51 H new ATOM 0 HG SER A 555 3.184 14.194 -3.714 1.00 0.50 H new ATOM 881 N THR A 556 1.781 11.997 -6.486 1.00 0.34 N ATOM 882 CA THR A 556 2.479 11.155 -7.445 1.00 0.32 C ATOM 883 C THR A 556 1.621 9.991 -7.930 1.00 0.27 C ATOM 884 O THR A 556 2.114 9.108 -8.637 1.00 0.28 O ATOM 885 CB THR A 556 3.787 10.605 -6.842 1.00 0.36 C ATOM 886 OG1 THR A 556 3.516 9.919 -5.610 1.00 0.34 O ATOM 887 CG2 THR A 556 4.773 11.731 -6.583 1.00 0.45 C ATOM 0 H THR A 556 1.769 11.631 -5.534 1.00 0.34 H new ATOM 0 HA THR A 556 2.706 11.788 -8.302 1.00 0.32 H new ATOM 0 HB THR A 556 4.223 9.908 -7.558 1.00 0.36 H new ATOM 0 HG1 THR A 556 4.340 9.854 -5.084 1.00 0.34 H new ATOM 0 HG21 THR A 556 5.689 11.322 -6.158 1.00 0.45 H new ATOM 0 HG22 THR A 556 5.003 12.236 -7.521 1.00 0.45 H new ATOM 0 HG23 THR A 556 4.336 12.444 -5.884 1.00 0.45 H new ATOM 895 N ASN A 557 0.338 10.005 -7.559 1.00 0.26 N ATOM 896 CA ASN A 557 -0.592 8.928 -7.919 1.00 0.26 C ATOM 897 C ASN A 557 -0.099 7.598 -7.354 1.00 0.21 C ATOM 898 O ASN A 557 -0.189 6.543 -7.994 1.00 0.25 O ATOM 899 CB ASN A 557 -0.749 8.827 -9.445 1.00 0.31 C ATOM 900 CG ASN A 557 -1.504 9.995 -10.052 1.00 0.38 C ATOM 901 OD1 ASN A 557 -1.487 11.113 -9.534 1.00 1.09 O ATOM 902 ND2 ASN A 557 -2.165 9.745 -11.172 1.00 1.28 N ATOM 0 H ASN A 557 -0.083 10.753 -7.007 1.00 0.26 H new ATOM 0 HA ASN A 557 -1.566 9.160 -7.489 1.00 0.26 H new ATOM 0 HB2 ASN A 557 0.239 8.766 -9.901 1.00 0.31 H new ATOM 0 HB3 ASN A 557 -1.270 7.901 -9.689 1.00 0.31 H new ATOM 0 HD21 ASN A 557 -2.683 10.491 -11.636 1.00 1.28 H new ATOM 0 HD22 ASN A 557 -2.156 8.806 -11.571 1.00 1.28 H new ATOM 909 N GLN A 558 0.414 7.663 -6.135 1.00 0.17 N ATOM 910 CA GLN A 558 1.041 6.518 -5.493 1.00 0.17 C ATOM 911 C GLN A 558 0.704 6.492 -4.014 1.00 0.16 C ATOM 912 O GLN A 558 0.160 7.452 -3.488 1.00 0.20 O ATOM 913 CB GLN A 558 2.551 6.580 -5.682 1.00 0.22 C ATOM 914 CG GLN A 558 2.978 6.397 -7.126 1.00 0.29 C ATOM 915 CD GLN A 558 4.475 6.504 -7.320 1.00 0.41 C ATOM 916 OE1 GLN A 558 5.047 5.819 -8.167 1.00 0.78 O ATOM 917 NE2 GLN A 558 5.118 7.384 -6.569 1.00 0.84 N ATOM 0 H GLN A 558 0.408 8.508 -5.564 1.00 0.17 H new ATOM 0 HA GLN A 558 0.661 5.606 -5.954 1.00 0.17 H new ATOM 0 HB2 GLN A 558 2.917 7.541 -5.320 1.00 0.22 H new ATOM 0 HB3 GLN A 558 3.020 5.809 -5.070 1.00 0.22 H new ATOM 0 HG2 GLN A 558 2.641 5.422 -7.478 1.00 0.29 H new ATOM 0 HG3 GLN A 558 2.483 7.147 -7.743 1.00 0.29 H new ATOM 0 HE21 GLN A 558 4.608 7.933 -5.877 1.00 0.84 H new ATOM 0 HE22 GLN A 558 6.123 7.513 -6.682 1.00 0.84 H new ATOM 926 N ALA A 559 0.996 5.388 -3.345 1.00 0.15 N ATOM 927 CA ALA A 559 0.699 5.264 -1.930 1.00 0.14 C ATOM 928 C ALA A 559 1.578 4.199 -1.265 1.00 0.14 C ATOM 929 O ALA A 559 2.257 3.426 -1.936 1.00 0.16 O ATOM 930 CB ALA A 559 -0.779 4.965 -1.740 1.00 0.15 C ATOM 0 H ALA A 559 1.438 4.567 -3.760 1.00 0.15 H new ATOM 0 HA ALA A 559 0.927 6.211 -1.441 1.00 0.14 H new ATOM 0 HB1 ALA A 559 -0.998 4.873 -0.676 1.00 0.15 H new ATOM 0 HB2 ALA A 559 -1.372 5.776 -2.163 1.00 0.15 H new ATOM 0 HB3 ALA A 559 -1.029 4.032 -2.244 1.00 0.15 H new ATOM 936 N PHE A 560 1.593 4.208 0.055 1.00 0.14 N ATOM 937 CA PHE A 560 2.347 3.229 0.833 1.00 0.15 C ATOM 938 C PHE A 560 1.420 2.427 1.727 1.00 0.14 C ATOM 939 O PHE A 560 0.393 2.931 2.182 1.00 0.16 O ATOM 940 CB PHE A 560 3.411 3.894 1.712 1.00 0.16 C ATOM 941 CG PHE A 560 4.558 4.511 0.965 1.00 0.20 C ATOM 942 CD1 PHE A 560 5.551 3.714 0.421 1.00 0.26 C ATOM 943 CD2 PHE A 560 4.661 5.884 0.835 1.00 0.29 C ATOM 944 CE1 PHE A 560 6.623 4.278 -0.243 1.00 0.30 C ATOM 945 CE2 PHE A 560 5.729 6.452 0.171 1.00 0.35 C ATOM 946 CZ PHE A 560 6.711 5.649 -0.368 1.00 0.30 C ATOM 0 H PHE A 560 1.087 4.889 0.621 1.00 0.14 H new ATOM 0 HA PHE A 560 2.840 2.573 0.115 1.00 0.15 H new ATOM 0 HB2 PHE A 560 2.932 4.666 2.314 1.00 0.16 H new ATOM 0 HB3 PHE A 560 3.806 3.150 2.404 1.00 0.16 H new ATOM 0 HD1 PHE A 560 5.487 2.640 0.517 1.00 0.26 H new ATOM 0 HD2 PHE A 560 3.897 6.519 1.258 1.00 0.29 H new ATOM 0 HE1 PHE A 560 7.391 3.646 -0.664 1.00 0.30 H new ATOM 0 HE2 PHE A 560 5.795 7.526 0.074 1.00 0.35 H new ATOM 0 HZ PHE A 560 7.548 6.092 -0.887 1.00 0.30 H new ATOM 956 N LEU A 561 1.798 1.184 1.981 1.00 0.14 N ATOM 957 CA LEU A 561 1.010 0.298 2.815 1.00 0.14 C ATOM 958 C LEU A 561 1.925 -0.550 3.699 1.00 0.16 C ATOM 959 O LEU A 561 2.760 -1.302 3.204 1.00 0.18 O ATOM 960 CB LEU A 561 0.146 -0.594 1.915 1.00 0.15 C ATOM 961 CG LEU A 561 -0.816 -1.544 2.628 1.00 0.17 C ATOM 962 CD1 LEU A 561 -1.826 -0.759 3.453 1.00 0.19 C ATOM 963 CD2 LEU A 561 -1.527 -2.429 1.609 1.00 0.20 C ATOM 0 H LEU A 561 2.654 0.766 1.617 1.00 0.14 H new ATOM 0 HA LEU A 561 0.363 0.885 3.468 1.00 0.14 H new ATOM 0 HB2 LEU A 561 -0.435 0.048 1.253 1.00 0.15 H new ATOM 0 HB3 LEU A 561 0.808 -1.187 1.284 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.245 -2.180 3.304 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -2.503 -1.451 3.954 1.00 0.19 H new ATOM 0 HD12 LEU A 561 -1.301 -0.162 4.198 1.00 0.19 H new ATOM 0 HD13 LEU A 561 -2.398 -0.102 2.798 1.00 0.19 H new ATOM 0 HD21 LEU A 561 -2.210 -3.103 2.126 1.00 0.20 H new ATOM 0 HD22 LEU A 561 -2.089 -1.805 0.914 1.00 0.20 H new ATOM 0 HD23 LEU A 561 -0.790 -3.013 1.057 1.00 0.20 H new ATOM 975 N GLU A 562 1.775 -0.404 5.005 1.00 0.17 N ATOM 976 CA GLU A 562 2.538 -1.209 5.946 1.00 0.20 C ATOM 977 C GLU A 562 1.686 -2.346 6.471 1.00 0.18 C ATOM 978 O GLU A 562 0.605 -2.137 7.028 1.00 0.18 O ATOM 979 CB GLU A 562 3.055 -0.385 7.124 1.00 0.27 C ATOM 980 CG GLU A 562 4.060 -1.142 7.979 1.00 0.57 C ATOM 981 CD GLU A 562 4.484 -0.380 9.215 1.00 1.17 C ATOM 982 OE1 GLU A 562 5.432 0.430 9.131 1.00 2.09 O ATOM 983 OE2 GLU A 562 3.880 -0.601 10.286 1.00 1.21 O ATOM 0 H GLU A 562 1.134 0.262 5.437 1.00 0.17 H new ATOM 0 HA GLU A 562 3.399 -1.602 5.405 1.00 0.20 H new ATOM 0 HB2 GLU A 562 3.519 0.527 6.748 1.00 0.27 H new ATOM 0 HB3 GLU A 562 2.213 -0.081 7.746 1.00 0.27 H new ATOM 0 HG2 GLU A 562 3.626 -2.096 8.279 1.00 0.57 H new ATOM 0 HG3 GLU A 562 4.941 -1.367 7.379 1.00 0.57 H new ATOM 990 N MET A 563 2.189 -3.546 6.282 1.00 0.25 N ATOM 991 CA MET A 563 1.501 -4.749 6.692 1.00 0.23 C ATOM 992 C MET A 563 2.207 -5.326 7.908 1.00 0.27 C ATOM 993 O MET A 563 3.420 -5.174 8.054 1.00 0.39 O ATOM 994 CB MET A 563 1.511 -5.725 5.521 1.00 0.25 C ATOM 995 CG MET A 563 1.028 -5.075 4.234 1.00 0.25 C ATOM 996 SD MET A 563 1.630 -5.898 2.754 1.00 0.31 S ATOM 997 CE MET A 563 1.005 -4.804 1.480 1.00 0.25 C ATOM 0 H MET A 563 3.091 -3.715 5.837 1.00 0.25 H new ATOM 0 HA MET A 563 0.466 -4.544 6.967 1.00 0.23 H new ATOM 0 HB2 MET A 563 2.521 -6.108 5.377 1.00 0.25 H new ATOM 0 HB3 MET A 563 0.877 -6.580 5.756 1.00 0.25 H new ATOM 0 HG2 MET A 563 -0.062 -5.073 4.223 1.00 0.25 H new ATOM 0 HG3 MET A 563 1.349 -4.033 4.218 1.00 0.25 H new ATOM 0 HE1 MET A 563 1.157 -5.260 0.502 1.00 0.25 H new ATOM 0 HE2 MET A 563 -0.059 -4.631 1.639 1.00 0.25 H new ATOM 0 HE3 MET A 563 1.537 -3.854 1.523 1.00 0.25 H new ATOM 1007 N ALA A 564 1.432 -5.975 8.775 1.00 0.28 N ATOM 1008 CA ALA A 564 1.895 -6.371 10.105 1.00 0.33 C ATOM 1009 C ALA A 564 3.094 -7.307 10.062 1.00 0.27 C ATOM 1010 O ALA A 564 3.873 -7.358 11.012 1.00 0.40 O ATOM 1011 CB ALA A 564 0.757 -7.014 10.881 1.00 0.50 C ATOM 0 H ALA A 564 0.467 -6.241 8.577 1.00 0.28 H new ATOM 0 HA ALA A 564 2.223 -5.463 10.610 1.00 0.33 H new ATOM 0 HB1 ALA A 564 1.110 -7.306 11.870 1.00 0.50 H new ATOM 0 HB2 ALA A 564 -0.062 -6.302 10.984 1.00 0.50 H new ATOM 0 HB3 ALA A 564 0.405 -7.896 10.346 1.00 0.50 H new ATOM 1017 N TYR A 565 3.234 -8.050 8.973 1.00 0.27 N ATOM 1018 CA TYR A 565 4.352 -8.968 8.814 1.00 0.37 C ATOM 1019 C TYR A 565 4.821 -8.989 7.361 1.00 0.33 C ATOM 1020 O TYR A 565 4.081 -8.592 6.458 1.00 0.29 O ATOM 1021 CB TYR A 565 3.955 -10.378 9.257 1.00 0.55 C ATOM 1022 CG TYR A 565 3.612 -10.489 10.724 1.00 0.68 C ATOM 1023 CD1 TYR A 565 2.295 -10.632 11.141 1.00 0.75 C ATOM 1024 CD2 TYR A 565 4.605 -10.445 11.693 1.00 0.86 C ATOM 1025 CE1 TYR A 565 1.978 -10.725 12.482 1.00 0.90 C ATOM 1026 CE2 TYR A 565 4.297 -10.540 13.036 1.00 1.00 C ATOM 1027 CZ TYR A 565 2.983 -10.678 13.425 1.00 0.98 C ATOM 1028 OH TYR A 565 2.670 -10.764 14.762 1.00 1.15 O ATOM 0 H TYR A 565 2.586 -8.035 8.186 1.00 0.27 H new ATOM 0 HA TYR A 565 5.172 -8.622 9.443 1.00 0.37 H new ATOM 0 HB2 TYR A 565 3.098 -10.704 8.669 1.00 0.55 H new ATOM 0 HB3 TYR A 565 4.774 -11.062 9.033 1.00 0.55 H new ATOM 0 HD1 TYR A 565 1.506 -10.671 10.405 1.00 0.75 H new ATOM 0 HD2 TYR A 565 5.636 -10.335 11.392 1.00 0.86 H new ATOM 0 HE1 TYR A 565 0.949 -10.834 12.790 1.00 0.90 H new ATOM 0 HE2 TYR A 565 5.082 -10.506 13.777 1.00 1.00 H new ATOM 0 HH TYR A 565 3.492 -10.716 15.294 1.00 1.15 H new ATOM 1038 N THR A 566 6.045 -9.459 7.141 1.00 0.39 N ATOM 1039 CA THR A 566 6.604 -9.516 5.793 1.00 0.40 C ATOM 1040 C THR A 566 5.858 -10.551 4.955 1.00 0.36 C ATOM 1041 O THR A 566 5.785 -10.433 3.730 1.00 0.35 O ATOM 1042 CB THR A 566 8.124 -9.817 5.778 1.00 0.51 C ATOM 1043 OG1 THR A 566 8.657 -9.542 4.475 1.00 0.57 O ATOM 1044 CG2 THR A 566 8.413 -11.269 6.133 1.00 0.57 C ATOM 0 H THR A 566 6.666 -9.804 7.873 1.00 0.39 H new ATOM 0 HA THR A 566 6.474 -8.524 5.359 1.00 0.40 H new ATOM 0 HB THR A 566 8.595 -9.179 6.526 1.00 0.51 H new ATOM 0 HG1 THR A 566 9.618 -9.732 4.468 1.00 0.57 H new ATOM 0 HG21 THR A 566 9.489 -11.441 6.112 1.00 0.57 H new ATOM 0 HG22 THR A 566 8.031 -11.483 7.131 1.00 0.57 H new ATOM 0 HG23 THR A 566 7.926 -11.924 5.410 1.00 0.57 H new ATOM 1052 N GLU A 567 5.297 -11.553 5.633 1.00 0.38 N ATOM 1053 CA GLU A 567 4.515 -12.599 4.982 1.00 0.40 C ATOM 1054 C GLU A 567 3.321 -12.003 4.243 1.00 0.31 C ATOM 1055 O GLU A 567 2.909 -12.503 3.197 1.00 0.32 O ATOM 1056 CB GLU A 567 4.035 -13.620 6.014 1.00 0.49 C ATOM 1057 CG GLU A 567 3.331 -12.995 7.208 1.00 0.55 C ATOM 1058 CD GLU A 567 2.721 -14.022 8.137 1.00 0.71 C ATOM 1059 OE1 GLU A 567 3.422 -14.498 9.051 1.00 0.89 O ATOM 1060 OE2 GLU A 567 1.528 -14.345 7.967 1.00 0.84 O ATOM 0 H GLU A 567 5.373 -11.660 6.645 1.00 0.38 H new ATOM 0 HA GLU A 567 5.155 -13.101 4.256 1.00 0.40 H new ATOM 0 HB2 GLU A 567 3.356 -14.322 5.530 1.00 0.49 H new ATOM 0 HB3 GLU A 567 4.890 -14.196 6.368 1.00 0.49 H new ATOM 0 HG2 GLU A 567 4.043 -12.386 7.765 1.00 0.55 H new ATOM 0 HG3 GLU A 567 2.549 -12.325 6.852 1.00 0.55 H new ATOM 1067 N ALA A 568 2.780 -10.924 4.792 1.00 0.26 N ATOM 1068 CA ALA A 568 1.641 -10.258 4.192 1.00 0.24 C ATOM 1069 C ALA A 568 2.084 -9.495 2.956 1.00 0.21 C ATOM 1070 O ALA A 568 1.428 -9.535 1.919 1.00 0.22 O ATOM 1071 CB ALA A 568 0.983 -9.328 5.198 1.00 0.25 C ATOM 0 H ALA A 568 3.115 -10.493 5.654 1.00 0.26 H new ATOM 0 HA ALA A 568 0.906 -11.005 3.893 1.00 0.24 H new ATOM 0 HB1 ALA A 568 0.129 -8.835 4.733 1.00 0.25 H new ATOM 0 HB2 ALA A 568 0.645 -9.904 6.059 1.00 0.25 H new ATOM 0 HB3 ALA A 568 1.703 -8.577 5.524 1.00 0.25 H new ATOM 1077 N ALA A 569 3.234 -8.837 3.068 1.00 0.19 N ATOM 1078 CA ALA A 569 3.750 -7.997 1.998 1.00 0.21 C ATOM 1079 C ALA A 569 4.060 -8.809 0.754 1.00 0.22 C ATOM 1080 O ALA A 569 3.676 -8.437 -0.350 1.00 0.24 O ATOM 1081 CB ALA A 569 4.998 -7.272 2.473 1.00 0.23 C ATOM 0 H ALA A 569 3.828 -8.872 3.896 1.00 0.19 H new ATOM 0 HA ALA A 569 2.982 -7.269 1.737 1.00 0.21 H new ATOM 0 HB1 ALA A 569 5.382 -6.644 1.669 1.00 0.23 H new ATOM 0 HB2 ALA A 569 4.752 -6.650 3.334 1.00 0.23 H new ATOM 0 HB3 ALA A 569 5.757 -8.001 2.757 1.00 0.23 H new ATOM 1087 N GLN A 570 4.723 -9.938 0.945 1.00 0.24 N ATOM 1088 CA GLN A 570 5.109 -10.781 -0.173 1.00 0.28 C ATOM 1089 C GLN A 570 3.882 -11.410 -0.822 1.00 0.27 C ATOM 1090 O GLN A 570 3.813 -11.535 -2.044 1.00 0.29 O ATOM 1091 CB GLN A 570 6.094 -11.860 0.285 1.00 0.34 C ATOM 1092 CG GLN A 570 5.567 -12.733 1.410 1.00 0.38 C ATOM 1093 CD GLN A 570 6.573 -13.766 1.866 1.00 0.51 C ATOM 1094 OE1 GLN A 570 7.360 -13.529 2.784 1.00 1.24 O ATOM 1095 NE2 GLN A 570 6.561 -14.916 1.219 1.00 1.04 N ATOM 0 H GLN A 570 5.004 -10.290 1.860 1.00 0.24 H new ATOM 0 HA GLN A 570 5.604 -10.159 -0.918 1.00 0.28 H new ATOM 0 HB2 GLN A 570 6.347 -12.493 -0.566 1.00 0.34 H new ATOM 0 HB3 GLN A 570 7.017 -11.381 0.611 1.00 0.34 H new ATOM 0 HG2 GLN A 570 5.291 -12.102 2.255 1.00 0.38 H new ATOM 0 HG3 GLN A 570 4.659 -13.237 1.079 1.00 0.38 H new ATOM 0 HE21 GLN A 570 5.892 -15.070 0.465 1.00 1.04 H new ATOM 0 HE22 GLN A 570 7.221 -15.651 1.473 1.00 1.04 H new ATOM 1104 N ALA A 571 2.903 -11.769 -0.001 1.00 0.26 N ATOM 1105 CA ALA A 571 1.688 -12.400 -0.486 1.00 0.27 C ATOM 1106 C ALA A 571 0.905 -11.460 -1.393 1.00 0.25 C ATOM 1107 O ALA A 571 0.399 -11.871 -2.439 1.00 0.27 O ATOM 1108 CB ALA A 571 0.826 -12.849 0.683 1.00 0.31 C ATOM 0 H ALA A 571 2.930 -11.632 1.009 1.00 0.26 H new ATOM 0 HA ALA A 571 1.971 -13.274 -1.072 1.00 0.27 H new ATOM 0 HB1 ALA A 571 -0.082 -13.320 0.306 1.00 0.31 H new ATOM 0 HB2 ALA A 571 1.381 -13.564 1.291 1.00 0.31 H new ATOM 0 HB3 ALA A 571 0.560 -11.985 1.292 1.00 0.31 H new ATOM 1114 N MET A 572 0.800 -10.200 -0.990 1.00 0.25 N ATOM 1115 CA MET A 572 0.065 -9.214 -1.771 1.00 0.28 C ATOM 1116 C MET A 572 0.806 -8.870 -3.057 1.00 0.24 C ATOM 1117 O MET A 572 0.195 -8.787 -4.121 1.00 0.24 O ATOM 1118 CB MET A 572 -0.195 -7.946 -0.959 1.00 0.37 C ATOM 1119 CG MET A 572 -0.775 -8.232 0.410 1.00 0.47 C ATOM 1120 SD MET A 572 -1.473 -6.779 1.203 1.00 0.36 S ATOM 1121 CE MET A 572 -1.381 -7.282 2.920 1.00 0.33 C ATOM 0 H MET A 572 1.213 -9.838 -0.130 1.00 0.25 H new ATOM 0 HA MET A 572 -0.896 -9.657 -2.033 1.00 0.28 H new ATOM 0 HB2 MET A 572 0.739 -7.396 -0.845 1.00 0.37 H new ATOM 0 HB3 MET A 572 -0.879 -7.301 -1.511 1.00 0.37 H new ATOM 0 HG2 MET A 572 -1.549 -8.994 0.317 1.00 0.47 H new ATOM 0 HG3 MET A 572 0.005 -8.646 1.048 1.00 0.47 H new ATOM 0 HE1 MET A 572 -1.573 -6.422 3.562 1.00 0.33 H new ATOM 0 HE2 MET A 572 -2.127 -8.053 3.114 1.00 0.33 H new ATOM 0 HE3 MET A 572 -0.387 -7.677 3.131 1.00 0.33 H new ATOM 1131 N VAL A 573 2.122 -8.686 -2.963 1.00 0.24 N ATOM 1132 CA VAL A 573 2.925 -8.339 -4.131 1.00 0.27 C ATOM 1133 C VAL A 573 2.818 -9.425 -5.195 1.00 0.25 C ATOM 1134 O VAL A 573 2.556 -9.141 -6.360 1.00 0.28 O ATOM 1135 CB VAL A 573 4.412 -8.127 -3.761 1.00 0.31 C ATOM 1136 CG1 VAL A 573 5.260 -7.904 -5.005 1.00 0.34 C ATOM 1137 CG2 VAL A 573 4.564 -6.955 -2.803 1.00 0.32 C ATOM 0 H VAL A 573 2.651 -8.771 -2.095 1.00 0.24 H new ATOM 0 HA VAL A 573 2.532 -7.402 -4.525 1.00 0.27 H new ATOM 0 HB VAL A 573 4.765 -9.032 -3.266 1.00 0.31 H new ATOM 0 HG11 VAL A 573 6.300 -7.758 -4.715 1.00 0.34 H new ATOM 0 HG12 VAL A 573 5.184 -8.774 -5.658 1.00 0.34 H new ATOM 0 HG13 VAL A 573 4.904 -7.021 -5.535 1.00 0.34 H new ATOM 0 HG21 VAL A 573 5.617 -6.822 -2.555 1.00 0.32 H new ATOM 0 HG22 VAL A 573 4.185 -6.048 -3.274 1.00 0.32 H new ATOM 0 HG23 VAL A 573 3.999 -7.154 -1.892 1.00 0.32 H new ATOM 1147 N GLN A 574 2.978 -10.672 -4.778 1.00 0.23 N ATOM 1148 CA GLN A 574 2.884 -11.798 -5.695 1.00 0.25 C ATOM 1149 C GLN A 574 1.474 -11.914 -6.264 1.00 0.23 C ATOM 1150 O GLN A 574 1.290 -12.286 -7.423 1.00 0.26 O ATOM 1151 CB GLN A 574 3.295 -13.099 -5.006 1.00 0.28 C ATOM 1152 CG GLN A 574 4.750 -13.108 -4.558 1.00 0.33 C ATOM 1153 CD GLN A 574 5.712 -12.777 -5.687 1.00 1.30 C ATOM 1154 OE1 GLN A 574 5.451 -13.074 -6.854 1.00 2.04 O ATOM 1155 NE2 GLN A 574 6.826 -12.148 -5.349 1.00 2.09 N ATOM 0 H GLN A 574 3.174 -10.930 -3.811 1.00 0.23 H new ATOM 0 HA GLN A 574 3.573 -11.619 -6.520 1.00 0.25 H new ATOM 0 HB2 GLN A 574 2.654 -13.262 -4.140 1.00 0.28 H new ATOM 0 HB3 GLN A 574 3.127 -13.932 -5.688 1.00 0.28 H new ATOM 0 HG2 GLN A 574 4.882 -12.388 -3.751 1.00 0.33 H new ATOM 0 HG3 GLN A 574 4.995 -14.090 -4.153 1.00 0.33 H new ATOM 0 HE21 GLN A 574 7.006 -11.919 -4.371 1.00 2.09 H new ATOM 0 HE22 GLN A 574 7.505 -11.892 -6.066 1.00 2.09 H new ATOM 1164 N TYR A 575 0.484 -11.599 -5.442 1.00 0.20 N ATOM 1165 CA TYR A 575 -0.903 -11.692 -5.867 1.00 0.20 C ATOM 1166 C TYR A 575 -1.214 -10.646 -6.935 1.00 0.20 C ATOM 1167 O TYR A 575 -1.716 -10.981 -8.000 1.00 0.22 O ATOM 1168 CB TYR A 575 -1.855 -11.531 -4.677 1.00 0.20 C ATOM 1169 CG TYR A 575 -3.308 -11.756 -5.028 1.00 0.22 C ATOM 1170 CD1 TYR A 575 -4.157 -10.685 -5.276 1.00 0.26 C ATOM 1171 CD2 TYR A 575 -3.830 -13.040 -5.106 1.00 0.33 C ATOM 1172 CE1 TYR A 575 -5.484 -10.889 -5.594 1.00 0.34 C ATOM 1173 CE2 TYR A 575 -5.157 -13.251 -5.423 1.00 0.40 C ATOM 1174 CZ TYR A 575 -5.979 -12.173 -5.666 1.00 0.39 C ATOM 1175 OH TYR A 575 -7.302 -12.377 -5.980 1.00 0.48 O ATOM 0 H TYR A 575 0.615 -11.279 -4.482 1.00 0.20 H new ATOM 0 HA TYR A 575 -1.053 -12.683 -6.296 1.00 0.20 H new ATOM 0 HB2 TYR A 575 -1.566 -12.233 -3.894 1.00 0.20 H new ATOM 0 HB3 TYR A 575 -1.741 -10.529 -4.264 1.00 0.20 H new ATOM 0 HD1 TYR A 575 -3.773 -9.677 -5.219 1.00 0.26 H new ATOM 0 HD2 TYR A 575 -3.188 -13.887 -4.916 1.00 0.33 H new ATOM 0 HE1 TYR A 575 -6.132 -10.046 -5.786 1.00 0.34 H new ATOM 0 HE2 TYR A 575 -5.548 -14.256 -5.480 1.00 0.40 H new ATOM 0 HH TYR A 575 -7.491 -13.339 -5.991 1.00 0.48 H new ATOM 1185 N TYR A 576 -0.893 -9.388 -6.654 1.00 0.21 N ATOM 1186 CA TYR A 576 -1.225 -8.287 -7.563 1.00 0.25 C ATOM 1187 C TYR A 576 -0.301 -8.202 -8.776 1.00 0.30 C ATOM 1188 O TYR A 576 -0.606 -7.503 -9.741 1.00 0.34 O ATOM 1189 CB TYR A 576 -1.254 -6.960 -6.811 1.00 0.28 C ATOM 1190 CG TYR A 576 -2.383 -6.892 -5.811 1.00 0.26 C ATOM 1191 CD1 TYR A 576 -3.705 -6.956 -6.217 1.00 0.32 C ATOM 1192 CD2 TYR A 576 -2.120 -6.737 -4.459 1.00 0.32 C ATOM 1193 CE1 TYR A 576 -4.739 -6.871 -5.303 1.00 0.31 C ATOM 1194 CE2 TYR A 576 -3.143 -6.655 -3.540 1.00 0.36 C ATOM 1195 CZ TYR A 576 -4.469 -6.810 -3.980 1.00 0.29 C ATOM 1196 OH TYR A 576 -5.466 -6.635 -3.046 1.00 0.35 O ATOM 0 H TYR A 576 -0.404 -9.101 -5.806 1.00 0.21 H new ATOM 0 HA TYR A 576 -2.220 -8.501 -7.953 1.00 0.25 H new ATOM 0 HB2 TYR A 576 -0.305 -6.817 -6.294 1.00 0.28 H new ATOM 0 HB3 TYR A 576 -1.354 -6.143 -7.525 1.00 0.28 H new ATOM 0 HD1 TYR A 576 -3.933 -7.074 -7.266 1.00 0.32 H new ATOM 0 HD2 TYR A 576 -1.096 -6.680 -4.120 1.00 0.32 H new ATOM 0 HE1 TYR A 576 -5.763 -6.853 -5.646 1.00 0.31 H new ATOM 0 HE2 TYR A 576 -2.929 -6.474 -2.497 1.00 0.36 H new ATOM 0 HH TYR A 576 -6.299 -7.030 -3.378 1.00 0.35 H new ATOM 1206 N GLN A 577 0.821 -8.895 -8.738 1.00 0.31 N ATOM 1207 CA GLN A 577 1.657 -8.985 -9.928 1.00 0.38 C ATOM 1208 C GLN A 577 0.996 -9.895 -10.953 1.00 0.37 C ATOM 1209 O GLN A 577 1.031 -9.626 -12.155 1.00 0.42 O ATOM 1210 CB GLN A 577 3.070 -9.469 -9.604 1.00 0.45 C ATOM 1211 CG GLN A 577 3.935 -8.408 -8.943 1.00 0.52 C ATOM 1212 CD GLN A 577 5.367 -8.859 -8.740 1.00 1.04 C ATOM 1213 OE1 GLN A 577 6.298 -8.051 -8.777 1.00 1.89 O ATOM 1214 NE2 GLN A 577 5.556 -10.150 -8.516 1.00 1.57 N ATOM 0 H GLN A 577 1.172 -9.394 -7.920 1.00 0.31 H new ATOM 0 HA GLN A 577 1.755 -7.983 -10.345 1.00 0.38 H new ATOM 0 HB2 GLN A 577 3.007 -10.337 -8.947 1.00 0.45 H new ATOM 0 HB3 GLN A 577 3.553 -9.799 -10.524 1.00 0.45 H new ATOM 0 HG2 GLN A 577 3.927 -7.506 -9.555 1.00 0.52 H new ATOM 0 HG3 GLN A 577 3.502 -8.143 -7.978 1.00 0.52 H new ATOM 0 HE21 GLN A 577 4.759 -10.786 -8.493 1.00 1.57 H new ATOM 0 HE22 GLN A 577 6.499 -10.509 -8.366 1.00 1.57 H new ATOM 1223 N GLU A 578 0.375 -10.962 -10.467 1.00 0.35 N ATOM 1224 CA GLU A 578 -0.344 -11.882 -11.336 1.00 0.38 C ATOM 1225 C GLU A 578 -1.782 -11.413 -11.558 1.00 0.33 C ATOM 1226 O GLU A 578 -2.321 -11.531 -12.657 1.00 0.36 O ATOM 1227 CB GLU A 578 -0.338 -13.286 -10.728 1.00 0.42 C ATOM 1228 CG GLU A 578 1.053 -13.800 -10.392 1.00 0.52 C ATOM 1229 CD GLU A 578 1.963 -13.860 -11.600 1.00 1.24 C ATOM 1230 OE1 GLU A 578 2.695 -12.883 -11.848 1.00 2.14 O ATOM 1231 OE2 GLU A 578 1.953 -14.889 -12.309 1.00 1.31 O ATOM 0 H GLU A 578 0.355 -11.211 -9.478 1.00 0.35 H new ATOM 0 HA GLU A 578 0.160 -11.906 -12.302 1.00 0.38 H new ATOM 0 HB2 GLU A 578 -0.943 -13.282 -9.822 1.00 0.42 H new ATOM 0 HB3 GLU A 578 -0.812 -13.976 -11.425 1.00 0.42 H new ATOM 0 HG2 GLU A 578 1.501 -13.155 -9.637 1.00 0.52 H new ATOM 0 HG3 GLU A 578 0.972 -14.795 -9.954 1.00 0.52 H new ATOM 1238 N LYS A 579 -2.397 -10.875 -10.512 1.00 0.29 N ATOM 1239 CA LYS A 579 -3.753 -10.339 -10.590 1.00 0.28 C ATOM 1240 C LYS A 579 -3.809 -8.963 -9.931 1.00 0.25 C ATOM 1241 O LYS A 579 -4.070 -8.857 -8.730 1.00 0.24 O ATOM 1242 CB LYS A 579 -4.740 -11.268 -9.876 1.00 0.31 C ATOM 1243 CG LYS A 579 -4.796 -12.678 -10.436 1.00 0.42 C ATOM 1244 CD LYS A 579 -5.782 -13.531 -9.659 1.00 0.69 C ATOM 1245 CE LYS A 579 -5.866 -14.942 -10.217 1.00 1.69 C ATOM 1246 NZ LYS A 579 -6.852 -15.770 -9.479 1.00 2.46 N ATOM 0 H LYS A 579 -1.973 -10.797 -9.588 1.00 0.29 H new ATOM 0 HA LYS A 579 -4.027 -10.259 -11.642 1.00 0.28 H new ATOM 0 HB2 LYS A 579 -4.472 -11.320 -8.821 1.00 0.31 H new ATOM 0 HB3 LYS A 579 -5.736 -10.829 -9.930 1.00 0.31 H new ATOM 0 HG2 LYS A 579 -5.086 -12.645 -11.486 1.00 0.42 H new ATOM 0 HG3 LYS A 579 -3.805 -13.130 -10.393 1.00 0.42 H new ATOM 0 HD2 LYS A 579 -5.482 -13.571 -8.612 1.00 0.69 H new ATOM 0 HD3 LYS A 579 -6.768 -13.068 -9.691 1.00 0.69 H new ATOM 0 HE2 LYS A 579 -6.143 -14.900 -11.270 1.00 1.69 H new ATOM 0 HE3 LYS A 579 -4.884 -15.413 -10.164 1.00 1.69 H new ATOM 0 HZ1 LYS A 579 -6.880 -16.725 -9.890 1.00 2.46 H new ATOM 0 HZ2 LYS A 579 -6.574 -15.831 -8.479 1.00 2.46 H new ATOM 0 HZ3 LYS A 579 -7.794 -15.335 -9.551 1.00 2.46 H new ATOM 1260 N PRO A 580 -3.566 -7.892 -10.698 1.00 0.26 N ATOM 1261 CA PRO A 580 -3.521 -6.528 -10.157 1.00 0.25 C ATOM 1262 C PRO A 580 -4.877 -6.056 -9.636 1.00 0.22 C ATOM 1263 O PRO A 580 -5.926 -6.581 -10.020 1.00 0.22 O ATOM 1264 CB PRO A 580 -3.085 -5.679 -11.353 1.00 0.27 C ATOM 1265 CG PRO A 580 -3.467 -6.476 -12.551 1.00 0.37 C ATOM 1266 CD PRO A 580 -3.326 -7.917 -12.151 1.00 0.32 C ATOM 0 HA PRO A 580 -2.850 -6.459 -9.301 1.00 0.25 H new ATOM 0 HB2 PRO A 580 -3.581 -4.709 -11.350 1.00 0.27 H new ATOM 0 HB3 PRO A 580 -2.012 -5.488 -11.331 1.00 0.27 H new ATOM 0 HG2 PRO A 580 -4.489 -6.254 -12.858 1.00 0.37 H new ATOM 0 HG3 PRO A 580 -2.822 -6.241 -13.398 1.00 0.37 H new ATOM 0 HD2 PRO A 580 -4.048 -8.550 -12.667 1.00 0.32 H new ATOM 0 HD3 PRO A 580 -2.335 -8.305 -12.388 1.00 0.32 H new ATOM 1274 N ALA A 581 -4.850 -5.051 -8.769 1.00 0.22 N ATOM 1275 CA ALA A 581 -6.075 -4.499 -8.207 1.00 0.22 C ATOM 1276 C ALA A 581 -6.564 -3.342 -9.057 1.00 0.20 C ATOM 1277 O ALA A 581 -5.778 -2.507 -9.484 1.00 0.19 O ATOM 1278 CB ALA A 581 -5.839 -4.030 -6.782 1.00 0.27 C ATOM 0 H ALA A 581 -3.995 -4.603 -8.441 1.00 0.22 H new ATOM 0 HA ALA A 581 -6.835 -5.280 -8.198 1.00 0.22 H new ATOM 0 HB1 ALA A 581 -6.764 -3.620 -6.376 1.00 0.27 H new ATOM 0 HB2 ALA A 581 -5.516 -4.873 -6.170 1.00 0.27 H new ATOM 0 HB3 ALA A 581 -5.067 -3.260 -6.775 1.00 0.27 H new ATOM 1284 N ILE A 582 -7.858 -3.307 -9.317 1.00 0.23 N ATOM 1285 CA ILE A 582 -8.422 -2.305 -10.203 1.00 0.26 C ATOM 1286 C ILE A 582 -9.048 -1.150 -9.428 1.00 0.28 C ATOM 1287 O ILE A 582 -9.955 -1.350 -8.622 1.00 0.33 O ATOM 1288 CB ILE A 582 -9.487 -2.926 -11.125 1.00 0.35 C ATOM 1289 CG1 ILE A 582 -8.911 -4.142 -11.857 1.00 0.39 C ATOM 1290 CG2 ILE A 582 -9.988 -1.890 -12.119 1.00 0.39 C ATOM 1291 CD1 ILE A 582 -9.917 -4.865 -12.726 1.00 0.51 C ATOM 0 H ILE A 582 -8.538 -3.960 -8.928 1.00 0.23 H new ATOM 0 HA ILE A 582 -7.599 -1.917 -10.802 1.00 0.26 H new ATOM 0 HB ILE A 582 -10.329 -3.258 -10.518 1.00 0.35 H new ATOM 0 HG12 ILE A 582 -8.075 -3.819 -12.477 1.00 0.39 H new ATOM 0 HG13 ILE A 582 -8.511 -4.841 -11.122 1.00 0.39 H new ATOM 0 HG21 ILE A 582 -10.741 -2.341 -12.766 1.00 0.39 H new ATOM 0 HG22 ILE A 582 -10.428 -1.051 -11.580 1.00 0.39 H new ATOM 0 HG23 ILE A 582 -9.155 -1.534 -12.725 1.00 0.39 H new ATOM 0 HD11 ILE A 582 -9.435 -5.714 -13.211 1.00 0.51 H new ATOM 0 HD12 ILE A 582 -10.742 -5.220 -12.109 1.00 0.51 H new ATOM 0 HD13 ILE A 582 -10.299 -4.182 -13.485 1.00 0.51 H new ATOM 1303 N ILE A 583 -8.545 0.052 -9.669 1.00 0.28 N ATOM 1304 CA ILE A 583 -9.158 1.265 -9.146 1.00 0.33 C ATOM 1305 C ILE A 583 -9.449 2.231 -10.284 1.00 0.36 C ATOM 1306 O ILE A 583 -8.526 2.766 -10.898 1.00 0.35 O ATOM 1307 CB ILE A 583 -8.257 1.975 -8.109 1.00 0.32 C ATOM 1308 CG1 ILE A 583 -8.133 1.144 -6.830 1.00 0.32 C ATOM 1309 CG2 ILE A 583 -8.797 3.363 -7.794 1.00 0.38 C ATOM 1310 CD1 ILE A 583 -9.437 0.991 -6.078 1.00 0.51 C ATOM 0 H ILE A 583 -7.707 0.214 -10.228 1.00 0.28 H new ATOM 0 HA ILE A 583 -10.082 0.968 -8.649 1.00 0.33 H new ATOM 0 HB ILE A 583 -7.262 2.080 -8.541 1.00 0.32 H new ATOM 0 HG12 ILE A 583 -7.752 0.155 -7.085 1.00 0.32 H new ATOM 0 HG13 ILE A 583 -7.397 1.610 -6.174 1.00 0.32 H new ATOM 0 HG21 ILE A 583 -8.150 3.848 -7.063 1.00 0.38 H new ATOM 0 HG22 ILE A 583 -8.823 3.959 -8.706 1.00 0.38 H new ATOM 0 HG23 ILE A 583 -9.805 3.278 -7.387 1.00 0.38 H new ATOM 0 HD11 ILE A 583 -9.273 0.391 -5.183 1.00 0.51 H new ATOM 0 HD12 ILE A 583 -9.810 1.975 -5.792 1.00 0.51 H new ATOM 0 HD13 ILE A 583 -10.170 0.497 -6.717 1.00 0.51 H new ATOM 1322 N ASN A 584 -10.731 2.436 -10.571 1.00 0.41 N ATOM 1323 CA ASN A 584 -11.162 3.401 -11.583 1.00 0.47 C ATOM 1324 C ASN A 584 -10.527 3.091 -12.936 1.00 0.45 C ATOM 1325 O ASN A 584 -10.191 3.990 -13.710 1.00 0.50 O ATOM 1326 CB ASN A 584 -10.832 4.834 -11.145 1.00 0.55 C ATOM 1327 CG ASN A 584 -11.648 5.285 -9.945 1.00 0.62 C ATOM 1328 OD1 ASN A 584 -12.026 4.483 -9.088 1.00 1.10 O ATOM 1329 ND2 ASN A 584 -11.937 6.572 -9.876 1.00 0.91 N ATOM 0 H ASN A 584 -11.498 1.943 -10.113 1.00 0.41 H new ATOM 0 HA ASN A 584 -12.244 3.318 -11.689 1.00 0.47 H new ATOM 0 HB2 ASN A 584 -9.771 4.900 -10.903 1.00 0.55 H new ATOM 0 HB3 ASN A 584 -11.012 5.514 -11.978 1.00 0.55 H new ATOM 0 HD21 ASN A 584 -12.489 6.930 -9.096 1.00 0.91 H new ATOM 0 HD22 ASN A 584 -11.608 7.208 -10.602 1.00 0.91 H new ATOM 1336 N GLY A 585 -10.380 1.803 -13.209 1.00 0.42 N ATOM 1337 CA GLY A 585 -9.793 1.356 -14.455 1.00 0.44 C ATOM 1338 C GLY A 585 -8.276 1.278 -14.419 1.00 0.39 C ATOM 1339 O GLY A 585 -7.652 0.906 -15.411 1.00 0.42 O ATOM 0 H GLY A 585 -10.661 1.051 -12.580 1.00 0.42 H new ATOM 0 HA2 GLY A 585 -10.193 0.373 -14.704 1.00 0.44 H new ATOM 0 HA3 GLY A 585 -10.095 2.034 -15.253 1.00 0.44 H new ATOM 1343 N GLU A 586 -7.677 1.617 -13.285 1.00 0.35 N ATOM 1344 CA GLU A 586 -6.227 1.571 -13.159 1.00 0.32 C ATOM 1345 C GLU A 586 -5.783 0.315 -12.418 1.00 0.24 C ATOM 1346 O GLU A 586 -6.266 0.018 -11.324 1.00 0.26 O ATOM 1347 CB GLU A 586 -5.717 2.810 -12.421 1.00 0.43 C ATOM 1348 CG GLU A 586 -6.037 4.120 -13.122 1.00 0.57 C ATOM 1349 CD GLU A 586 -5.403 4.213 -14.492 1.00 0.91 C ATOM 1350 OE1 GLU A 586 -4.162 4.306 -14.572 1.00 0.90 O ATOM 1351 OE2 GLU A 586 -6.144 4.196 -15.498 1.00 1.79 O ATOM 0 H GLU A 586 -8.168 1.924 -12.446 1.00 0.35 H new ATOM 0 HA GLU A 586 -5.804 1.551 -14.164 1.00 0.32 H new ATOM 0 HB2 GLU A 586 -6.150 2.829 -11.421 1.00 0.43 H new ATOM 0 HB3 GLU A 586 -4.637 2.729 -12.299 1.00 0.43 H new ATOM 0 HG2 GLU A 586 -7.118 4.223 -13.218 1.00 0.57 H new ATOM 0 HG3 GLU A 586 -5.691 4.951 -12.508 1.00 0.57 H new ATOM 1358 N LYS A 587 -4.886 -0.431 -13.044 1.00 0.21 N ATOM 1359 CA LYS A 587 -4.284 -1.605 -12.426 1.00 0.19 C ATOM 1360 C LYS A 587 -3.210 -1.196 -11.423 1.00 0.17 C ATOM 1361 O LYS A 587 -2.148 -0.702 -11.803 1.00 0.22 O ATOM 1362 CB LYS A 587 -3.665 -2.506 -13.494 1.00 0.23 C ATOM 1363 CG LYS A 587 -4.635 -2.948 -14.579 1.00 0.33 C ATOM 1364 CD LYS A 587 -5.832 -3.688 -14.002 1.00 1.14 C ATOM 1365 CE LYS A 587 -6.681 -4.320 -15.094 1.00 1.10 C ATOM 1366 NZ LYS A 587 -7.211 -3.315 -16.053 1.00 1.67 N ATOM 0 H LYS A 587 -4.555 -0.242 -13.990 1.00 0.21 H new ATOM 0 HA LYS A 587 -5.068 -2.151 -11.901 1.00 0.19 H new ATOM 0 HB2 LYS A 587 -2.833 -1.978 -13.960 1.00 0.23 H new ATOM 0 HB3 LYS A 587 -3.251 -3.391 -13.011 1.00 0.23 H new ATOM 0 HG2 LYS A 587 -4.980 -2.076 -15.134 1.00 0.33 H new ATOM 0 HG3 LYS A 587 -4.117 -3.593 -15.289 1.00 0.33 H new ATOM 0 HD2 LYS A 587 -5.486 -4.461 -13.316 1.00 1.14 H new ATOM 0 HD3 LYS A 587 -6.442 -2.996 -13.421 1.00 1.14 H new ATOM 0 HE2 LYS A 587 -6.084 -5.055 -15.635 1.00 1.10 H new ATOM 0 HE3 LYS A 587 -7.513 -4.857 -14.639 1.00 1.10 H new ATOM 0 HZ1 LYS A 587 -7.890 -3.772 -16.695 1.00 1.67 H new ATOM 0 HZ2 LYS A 587 -7.688 -2.554 -15.530 1.00 1.67 H new ATOM 0 HZ3 LYS A 587 -6.426 -2.915 -16.606 1.00 1.67 H new ATOM 1380 N LEU A 588 -3.480 -1.419 -10.147 1.00 0.15 N ATOM 1381 CA LEU A 588 -2.554 -1.040 -9.092 1.00 0.15 C ATOM 1382 C LEU A 588 -1.382 -2.000 -9.021 1.00 0.17 C ATOM 1383 O LEU A 588 -1.539 -3.210 -9.185 1.00 0.21 O ATOM 1384 CB LEU A 588 -3.247 -1.017 -7.732 1.00 0.16 C ATOM 1385 CG LEU A 588 -4.505 -0.157 -7.638 1.00 0.18 C ATOM 1386 CD1 LEU A 588 -4.955 -0.065 -6.193 1.00 0.24 C ATOM 1387 CD2 LEU A 588 -4.264 1.228 -8.211 1.00 0.16 C ATOM 0 H LEU A 588 -4.337 -1.863 -9.816 1.00 0.15 H new ATOM 0 HA LEU A 588 -2.192 -0.041 -9.333 1.00 0.15 H new ATOM 0 HB2 LEU A 588 -3.509 -2.040 -7.462 1.00 0.16 H new ATOM 0 HB3 LEU A 588 -2.533 -0.664 -6.988 1.00 0.16 H new ATOM 0 HG LEU A 588 -5.292 -0.627 -8.228 1.00 0.18 H new ATOM 0 HD11 LEU A 588 -5.853 0.550 -6.130 1.00 0.24 H new ATOM 0 HD12 LEU A 588 -5.172 -1.064 -5.815 1.00 0.24 H new ATOM 0 HD13 LEU A 588 -4.164 0.386 -5.594 1.00 0.24 H new ATOM 0 HD21 LEU A 588 -5.177 1.819 -8.131 1.00 0.16 H new ATOM 0 HD22 LEU A 588 -3.465 1.718 -7.655 1.00 0.16 H new ATOM 0 HD23 LEU A 588 -3.977 1.143 -9.259 1.00 0.16 H new ATOM 1399 N LEU A 589 -0.212 -1.447 -8.766 1.00 0.17 N ATOM 1400 CA LEU A 589 0.983 -2.246 -8.585 1.00 0.19 C ATOM 1401 C LEU A 589 1.457 -2.155 -7.140 1.00 0.18 C ATOM 1402 O LEU A 589 1.888 -1.090 -6.687 1.00 0.18 O ATOM 1403 CB LEU A 589 2.088 -1.784 -9.537 1.00 0.23 C ATOM 1404 CG LEU A 589 3.436 -2.485 -9.359 1.00 0.30 C ATOM 1405 CD1 LEU A 589 3.316 -3.964 -9.685 1.00 0.37 C ATOM 1406 CD2 LEU A 589 4.491 -1.832 -10.233 1.00 0.38 C ATOM 0 H LEU A 589 -0.064 -0.442 -8.679 1.00 0.17 H new ATOM 0 HA LEU A 589 0.746 -3.285 -8.814 1.00 0.19 H new ATOM 0 HB2 LEU A 589 1.750 -1.936 -10.562 1.00 0.23 H new ATOM 0 HB3 LEU A 589 2.234 -0.712 -9.406 1.00 0.23 H new ATOM 0 HG LEU A 589 3.741 -2.387 -8.317 1.00 0.30 H new ATOM 0 HD11 LEU A 589 4.285 -4.446 -9.553 1.00 0.37 H new ATOM 0 HD12 LEU A 589 2.587 -4.426 -9.019 1.00 0.37 H new ATOM 0 HD13 LEU A 589 2.990 -4.084 -10.718 1.00 0.37 H new ATOM 0 HD21 LEU A 589 5.444 -2.342 -10.095 1.00 0.38 H new ATOM 0 HD22 LEU A 589 4.191 -1.901 -11.279 1.00 0.38 H new ATOM 0 HD23 LEU A 589 4.597 -0.784 -9.954 1.00 0.38 H new ATOM 1418 N ILE A 590 1.350 -3.260 -6.414 1.00 0.18 N ATOM 1419 CA ILE A 590 1.852 -3.331 -5.051 1.00 0.18 C ATOM 1420 C ILE A 590 3.165 -4.103 -5.028 1.00 0.20 C ATOM 1421 O ILE A 590 3.208 -5.272 -5.408 1.00 0.26 O ATOM 1422 CB ILE A 590 0.837 -4.009 -4.095 1.00 0.19 C ATOM 1423 CG1 ILE A 590 -0.506 -3.264 -4.121 1.00 0.19 C ATOM 1424 CG2 ILE A 590 1.396 -4.068 -2.678 1.00 0.19 C ATOM 1425 CD1 ILE A 590 -1.486 -3.703 -3.047 1.00 0.21 C ATOM 0 H ILE A 590 0.918 -4.121 -6.749 1.00 0.18 H new ATOM 0 HA ILE A 590 2.009 -2.310 -4.703 1.00 0.18 H new ATOM 0 HB ILE A 590 0.667 -5.030 -4.437 1.00 0.19 H new ATOM 0 HG12 ILE A 590 -0.318 -2.196 -4.010 1.00 0.19 H new ATOM 0 HG13 ILE A 590 -0.968 -3.406 -5.098 1.00 0.19 H new ATOM 0 HG21 ILE A 590 0.671 -4.547 -2.020 1.00 0.19 H new ATOM 0 HG22 ILE A 590 2.322 -4.642 -2.676 1.00 0.19 H new ATOM 0 HG23 ILE A 590 1.595 -3.057 -2.323 1.00 0.19 H new ATOM 0 HD11 ILE A 590 -2.407 -3.127 -3.137 1.00 0.21 H new ATOM 0 HD12 ILE A 590 -1.708 -4.763 -3.168 1.00 0.21 H new ATOM 0 HD13 ILE A 590 -1.048 -3.534 -2.063 1.00 0.21 H new ATOM 1437 N ARG A 591 4.231 -3.442 -4.596 1.00 0.18 N ATOM 1438 CA ARG A 591 5.562 -4.041 -4.575 1.00 0.22 C ATOM 1439 C ARG A 591 6.345 -3.561 -3.360 1.00 0.18 C ATOM 1440 O ARG A 591 5.962 -2.592 -2.708 1.00 0.19 O ATOM 1441 CB ARG A 591 6.340 -3.706 -5.851 1.00 0.33 C ATOM 1442 CG ARG A 591 5.950 -4.552 -7.054 1.00 0.45 C ATOM 1443 CD ARG A 591 6.957 -4.405 -8.182 1.00 0.65 C ATOM 1444 NE ARG A 591 8.307 -4.763 -7.747 1.00 1.33 N ATOM 1445 CZ ARG A 591 9.366 -4.822 -8.553 1.00 1.69 C ATOM 1446 NH1 ARG A 591 9.233 -4.591 -9.854 1.00 1.56 N ATOM 1447 NH2 ARG A 591 10.559 -5.124 -8.053 1.00 2.62 N ATOM 0 H ARG A 591 4.200 -2.482 -4.252 1.00 0.18 H new ATOM 0 HA ARG A 591 5.436 -5.122 -4.518 1.00 0.22 H new ATOM 0 HB2 ARG A 591 6.185 -2.655 -6.093 1.00 0.33 H new ATOM 0 HB3 ARG A 591 7.405 -3.835 -5.659 1.00 0.33 H new ATOM 0 HG2 ARG A 591 5.882 -5.599 -6.758 1.00 0.45 H new ATOM 0 HG3 ARG A 591 4.962 -4.255 -7.405 1.00 0.45 H new ATOM 0 HD2 ARG A 591 6.663 -5.039 -9.018 1.00 0.65 H new ATOM 0 HD3 ARG A 591 6.951 -3.377 -8.544 1.00 0.65 H new ATOM 0 HE ARG A 591 8.447 -4.982 -6.761 1.00 1.33 H new ATOM 0 HH11 ARG A 591 8.316 -4.367 -10.241 1.00 1.56 H new ATOM 0 HH12 ARG A 591 10.048 -4.638 -10.466 1.00 1.56 H new ATOM 0 HH21 ARG A 591 10.662 -5.310 -7.055 1.00 2.62 H new ATOM 0 HH22 ARG A 591 11.372 -5.170 -8.667 1.00 2.62 H new ATOM 1461 N MET A 592 7.443 -4.236 -3.065 1.00 0.17 N ATOM 1462 CA MET A 592 8.269 -3.885 -1.919 1.00 0.18 C ATOM 1463 C MET A 592 9.183 -2.720 -2.266 1.00 0.21 C ATOM 1464 O MET A 592 9.714 -2.651 -3.376 1.00 0.29 O ATOM 1465 CB MET A 592 9.099 -5.083 -1.461 1.00 0.19 C ATOM 1466 CG MET A 592 8.284 -6.169 -0.783 1.00 0.22 C ATOM 1467 SD MET A 592 9.318 -7.429 -0.018 1.00 0.29 S ATOM 1468 CE MET A 592 8.073 -8.523 0.657 1.00 0.34 C ATOM 0 H MET A 592 7.785 -5.032 -3.604 1.00 0.17 H new ATOM 0 HA MET A 592 7.611 -3.589 -1.102 1.00 0.18 H new ATOM 0 HB2 MET A 592 9.610 -5.510 -2.324 1.00 0.19 H new ATOM 0 HB3 MET A 592 9.870 -4.737 -0.773 1.00 0.19 H new ATOM 0 HG2 MET A 592 7.644 -5.719 -0.024 1.00 0.22 H new ATOM 0 HG3 MET A 592 7.628 -6.638 -1.516 1.00 0.22 H new ATOM 0 HE1 MET A 592 8.469 -9.537 0.709 1.00 0.34 H new ATOM 0 HE2 MET A 592 7.798 -8.188 1.657 1.00 0.34 H new ATOM 0 HE3 MET A 592 7.192 -8.511 0.016 1.00 0.34 H new ATOM 1478 N SER A 593 9.368 -1.807 -1.320 1.00 0.23 N ATOM 1479 CA SER A 593 10.151 -0.610 -1.570 1.00 0.26 C ATOM 1480 C SER A 593 11.635 -0.866 -1.369 1.00 0.25 C ATOM 1481 O SER A 593 12.059 -1.456 -0.370 1.00 0.27 O ATOM 1482 CB SER A 593 9.697 0.532 -0.668 1.00 0.34 C ATOM 1483 OG SER A 593 10.433 1.719 -0.924 1.00 1.37 O ATOM 0 H SER A 593 8.986 -1.875 -0.376 1.00 0.23 H new ATOM 0 HA SER A 593 9.989 -0.327 -2.610 1.00 0.26 H new ATOM 0 HB2 SER A 593 8.635 0.720 -0.824 1.00 0.34 H new ATOM 0 HB3 SER A 593 9.820 0.244 0.376 1.00 0.34 H new ATOM 0 HG SER A 593 10.000 2.223 -1.644 1.00 1.37 H new ATOM 1489 N THR A 594 12.400 -0.408 -2.339 1.00 0.27 N ATOM 1490 CA THR A 594 13.842 -0.520 -2.317 1.00 0.30 C ATOM 1491 C THR A 594 14.483 0.705 -1.665 1.00 0.31 C ATOM 1492 O THR A 594 15.667 0.689 -1.323 1.00 0.33 O ATOM 1493 CB THR A 594 14.387 -0.698 -3.745 1.00 0.35 C ATOM 1494 OG1 THR A 594 13.796 0.279 -4.613 1.00 0.38 O ATOM 1495 CG2 THR A 594 14.091 -2.095 -4.270 1.00 0.38 C ATOM 0 H THR A 594 12.034 0.056 -3.171 1.00 0.27 H new ATOM 0 HA THR A 594 14.099 -1.397 -1.723 1.00 0.30 H new ATOM 0 HB THR A 594 15.468 -0.561 -3.720 1.00 0.35 H new ATOM 0 HG1 THR A 594 13.308 -0.175 -5.332 1.00 0.38 H new ATOM 0 HG21 THR A 594 14.486 -2.195 -5.281 1.00 0.38 H new ATOM 0 HG22 THR A 594 14.561 -2.834 -3.622 1.00 0.38 H new ATOM 0 HG23 THR A 594 13.013 -2.258 -4.284 1.00 0.38 H new ATOM 1503 N ARG A 595 13.690 1.758 -1.473 1.00 0.32 N ATOM 1504 CA ARG A 595 14.233 3.046 -1.048 1.00 0.37 C ATOM 1505 C ARG A 595 14.035 3.310 0.445 1.00 0.37 C ATOM 1506 O ARG A 595 14.841 3.998 1.067 1.00 0.41 O ATOM 1507 CB ARG A 595 13.589 4.177 -1.852 1.00 0.41 C ATOM 1508 CG ARG A 595 13.994 4.199 -3.317 1.00 0.46 C ATOM 1509 CD ARG A 595 13.316 5.336 -4.069 1.00 0.56 C ATOM 1510 NE ARG A 595 13.528 6.631 -3.420 1.00 1.36 N ATOM 1511 CZ ARG A 595 13.200 7.804 -3.960 1.00 1.67 C ATOM 1512 NH1 ARG A 595 12.725 7.865 -5.198 1.00 1.16 N ATOM 1513 NH2 ARG A 595 13.377 8.921 -3.266 1.00 2.75 N ATOM 0 H ARG A 595 12.678 1.745 -1.604 1.00 0.32 H new ATOM 0 HA ARG A 595 15.306 3.011 -1.234 1.00 0.37 H new ATOM 0 HB2 ARG A 595 12.505 4.085 -1.786 1.00 0.41 H new ATOM 0 HB3 ARG A 595 13.856 5.131 -1.397 1.00 0.41 H new ATOM 0 HG2 ARG A 595 15.076 4.305 -3.394 1.00 0.46 H new ATOM 0 HG3 ARG A 595 13.733 3.248 -3.782 1.00 0.46 H new ATOM 0 HD2 ARG A 595 13.700 5.375 -5.088 1.00 0.56 H new ATOM 0 HD3 ARG A 595 12.247 5.137 -4.138 1.00 0.56 H new ATOM 0 HE ARG A 595 13.955 6.636 -2.494 1.00 1.36 H new ATOM 0 HH11 ARG A 595 12.609 7.010 -5.742 1.00 1.16 H new ATOM 0 HH12 ARG A 595 12.476 8.767 -5.605 1.00 1.16 H new ATOM 0 HH21 ARG A 595 13.763 8.880 -2.323 1.00 2.75 H new ATOM 0 HH22 ARG A 595 13.127 9.821 -3.676 1.00 2.75 H new ATOM 1527 N TYR A 596 12.977 2.763 1.024 1.00 0.35 N ATOM 1528 CA TYR A 596 12.674 3.036 2.427 1.00 0.37 C ATOM 1529 C TYR A 596 12.574 1.764 3.252 1.00 0.35 C ATOM 1530 O TYR A 596 12.257 0.690 2.735 1.00 0.36 O ATOM 1531 CB TYR A 596 11.388 3.853 2.551 1.00 0.39 C ATOM 1532 CG TYR A 596 11.540 5.283 2.082 1.00 0.43 C ATOM 1533 CD1 TYR A 596 11.007 5.699 0.872 1.00 0.48 C ATOM 1534 CD2 TYR A 596 12.222 6.214 2.853 1.00 0.54 C ATOM 1535 CE1 TYR A 596 11.150 7.004 0.444 1.00 0.54 C ATOM 1536 CE2 TYR A 596 12.368 7.522 2.433 1.00 0.61 C ATOM 1537 CZ TYR A 596 11.828 7.911 1.228 1.00 0.56 C ATOM 1538 OH TYR A 596 11.966 9.214 0.802 1.00 0.65 O ATOM 0 H TYR A 596 12.321 2.137 0.556 1.00 0.35 H new ATOM 0 HA TYR A 596 13.505 3.617 2.826 1.00 0.37 H new ATOM 0 HB2 TYR A 596 10.601 3.370 1.972 1.00 0.39 H new ATOM 0 HB3 TYR A 596 11.064 3.852 3.592 1.00 0.39 H new ATOM 0 HD1 TYR A 596 10.472 4.992 0.255 1.00 0.48 H new ATOM 0 HD2 TYR A 596 12.646 5.910 3.799 1.00 0.54 H new ATOM 0 HE1 TYR A 596 10.731 7.313 -0.503 1.00 0.54 H new ATOM 0 HE2 TYR A 596 12.902 8.234 3.045 1.00 0.61 H new ATOM 0 HH TYR A 596 12.469 9.725 1.470 1.00 0.65 H new ATOM 1548 N LYS A 597 12.884 1.899 4.538 1.00 0.38 N ATOM 1549 CA LYS A 597 12.889 0.772 5.461 1.00 0.41 C ATOM 1550 C LYS A 597 11.733 0.850 6.451 1.00 0.41 C ATOM 1551 O LYS A 597 11.344 -0.158 7.025 1.00 0.48 O ATOM 1552 CB LYS A 597 14.218 0.689 6.225 1.00 0.50 C ATOM 1553 CG LYS A 597 15.408 0.249 5.372 1.00 0.62 C ATOM 1554 CD LYS A 597 15.747 1.260 4.284 1.00 1.29 C ATOM 1555 CE LYS A 597 16.758 0.709 3.294 1.00 1.67 C ATOM 1556 NZ LYS A 597 18.111 0.573 3.894 1.00 2.18 N ATOM 0 H LYS A 597 13.138 2.789 4.967 1.00 0.38 H new ATOM 0 HA LYS A 597 12.768 -0.129 4.860 1.00 0.41 H new ATOM 0 HB2 LYS A 597 14.437 1.666 6.657 1.00 0.50 H new ATOM 0 HB3 LYS A 597 14.103 -0.008 7.055 1.00 0.50 H new ATOM 0 HG2 LYS A 597 16.277 0.104 6.013 1.00 0.62 H new ATOM 0 HG3 LYS A 597 15.186 -0.714 4.913 1.00 0.62 H new ATOM 0 HD2 LYS A 597 14.837 1.542 3.754 1.00 1.29 H new ATOM 0 HD3 LYS A 597 16.144 2.166 4.741 1.00 1.29 H new ATOM 0 HE2 LYS A 597 16.421 -0.264 2.936 1.00 1.67 H new ATOM 0 HE3 LYS A 597 16.811 1.367 2.427 1.00 1.67 H new ATOM 0 HZ1 LYS A 597 18.769 0.194 3.184 1.00 2.18 H new ATOM 0 HZ2 LYS A 597 18.445 1.505 4.213 1.00 2.18 H new ATOM 0 HZ3 LYS A 597 18.067 -0.075 4.706 1.00 2.18 H new ATOM 1570 N GLU A 598 11.191 2.042 6.664 1.00 0.38 N ATOM 1571 CA GLU A 598 10.078 2.199 7.592 1.00 0.41 C ATOM 1572 C GLU A 598 9.134 3.306 7.138 1.00 0.34 C ATOM 1573 O GLU A 598 9.547 4.262 6.476 1.00 0.33 O ATOM 1574 CB GLU A 598 10.609 2.504 8.996 1.00 0.55 C ATOM 1575 CG GLU A 598 9.525 2.613 10.058 1.00 0.62 C ATOM 1576 CD GLU A 598 10.100 2.753 11.449 1.00 0.80 C ATOM 1577 OE1 GLU A 598 10.400 1.719 12.083 1.00 0.95 O ATOM 1578 OE2 GLU A 598 10.251 3.900 11.917 1.00 0.91 O ATOM 0 H GLU A 598 11.498 2.904 6.214 1.00 0.38 H new ATOM 0 HA GLU A 598 9.517 1.265 7.613 1.00 0.41 H new ATOM 0 HB2 GLU A 598 11.310 1.721 9.286 1.00 0.55 H new ATOM 0 HB3 GLU A 598 11.169 3.439 8.966 1.00 0.55 H new ATOM 0 HG2 GLU A 598 8.891 3.473 9.841 1.00 0.62 H new ATOM 0 HG3 GLU A 598 8.889 1.729 10.017 1.00 0.62 H new ATOM 1585 N LEU A 599 7.865 3.155 7.491 1.00 0.36 N ATOM 1586 CA LEU A 599 6.857 4.152 7.174 1.00 0.32 C ATOM 1587 C LEU A 599 6.484 4.975 8.399 1.00 0.33 C ATOM 1588 O LEU A 599 6.158 4.441 9.462 1.00 0.37 O ATOM 1589 CB LEU A 599 5.619 3.488 6.570 1.00 0.33 C ATOM 1590 CG LEU A 599 5.875 2.756 5.253 1.00 0.37 C ATOM 1591 CD1 LEU A 599 4.586 2.213 4.671 1.00 0.45 C ATOM 1592 CD2 LEU A 599 6.554 3.675 4.254 1.00 0.33 C ATOM 0 H LEU A 599 7.510 2.346 8.000 1.00 0.36 H new ATOM 0 HA LEU A 599 7.281 4.833 6.436 1.00 0.32 H new ATOM 0 HB2 LEU A 599 5.212 2.780 7.292 1.00 0.33 H new ATOM 0 HB3 LEU A 599 4.857 4.250 6.406 1.00 0.33 H new ATOM 0 HG LEU A 599 6.536 1.915 5.462 1.00 0.37 H new ATOM 0 HD11 LEU A 599 4.798 1.697 3.735 1.00 0.45 H new ATOM 0 HD12 LEU A 599 4.134 1.515 5.376 1.00 0.45 H new ATOM 0 HD13 LEU A 599 3.896 3.036 4.484 1.00 0.45 H new ATOM 0 HD21 LEU A 599 6.728 3.135 3.323 1.00 0.33 H new ATOM 0 HD22 LEU A 599 5.916 4.537 4.060 1.00 0.33 H new ATOM 0 HD23 LEU A 599 7.507 4.014 4.660 1.00 0.33 H new ATOM 1604 N GLN A 600 6.559 6.285 8.239 1.00 0.36 N ATOM 1605 CA GLN A 600 6.221 7.220 9.298 1.00 0.44 C ATOM 1606 C GLN A 600 4.977 8.022 8.915 1.00 0.39 C ATOM 1607 O GLN A 600 4.878 8.514 7.792 1.00 0.43 O ATOM 1608 CB GLN A 600 7.415 8.147 9.556 1.00 0.59 C ATOM 1609 CG GLN A 600 7.079 9.409 10.332 1.00 0.85 C ATOM 1610 CD GLN A 600 8.314 10.202 10.707 1.00 1.10 C ATOM 1611 OE1 GLN A 600 8.868 10.037 11.794 1.00 1.52 O ATOM 1612 NE2 GLN A 600 8.773 11.049 9.799 1.00 1.34 N ATOM 0 H GLN A 600 6.856 6.731 7.371 1.00 0.36 H new ATOM 0 HA GLN A 600 5.998 6.672 10.214 1.00 0.44 H new ATOM 0 HB2 GLN A 600 8.178 7.592 10.103 1.00 0.59 H new ATOM 0 HB3 GLN A 600 7.852 8.430 8.598 1.00 0.59 H new ATOM 0 HG2 GLN A 600 6.417 10.035 9.734 1.00 0.85 H new ATOM 0 HG3 GLN A 600 6.534 9.141 11.237 1.00 0.85 H new ATOM 0 HE21 GLN A 600 8.285 11.157 8.910 1.00 1.34 H new ATOM 0 HE22 GLN A 600 9.615 11.593 9.989 1.00 1.34 H new ATOM 1621 N LEU A 601 4.028 8.147 9.837 1.00 0.37 N ATOM 1622 CA LEU A 601 2.795 8.875 9.556 1.00 0.34 C ATOM 1623 C LEU A 601 2.939 10.356 9.871 1.00 0.39 C ATOM 1624 O LEU A 601 2.786 10.780 11.016 1.00 0.46 O ATOM 1625 CB LEU A 601 1.616 8.299 10.345 1.00 0.36 C ATOM 1626 CG LEU A 601 1.182 6.886 9.954 1.00 0.34 C ATOM 1627 CD1 LEU A 601 -0.066 6.484 10.724 1.00 0.46 C ATOM 1628 CD2 LEU A 601 0.935 6.793 8.457 1.00 0.32 C ATOM 0 H LEU A 601 4.087 7.757 10.778 1.00 0.37 H new ATOM 0 HA LEU A 601 2.597 8.760 8.490 1.00 0.34 H new ATOM 0 HB2 LEU A 601 1.877 8.299 11.403 1.00 0.36 H new ATOM 0 HB3 LEU A 601 0.763 8.967 10.227 1.00 0.36 H new ATOM 0 HG LEU A 601 1.987 6.197 10.210 1.00 0.34 H new ATOM 0 HD11 LEU A 601 -0.363 5.476 10.435 1.00 0.46 H new ATOM 0 HD12 LEU A 601 0.143 6.508 11.794 1.00 0.46 H new ATOM 0 HD13 LEU A 601 -0.874 7.179 10.496 1.00 0.46 H new ATOM 0 HD21 LEU A 601 0.627 5.779 8.201 1.00 0.32 H new ATOM 0 HD22 LEU A 601 0.149 7.493 8.174 1.00 0.32 H new ATOM 0 HD23 LEU A 601 1.851 7.040 7.921 1.00 0.32 H new ATOM 1640 N LYS A 602 3.242 11.141 8.847 1.00 0.41 N ATOM 1641 CA LYS A 602 3.300 12.590 8.977 1.00 0.48 C ATOM 1642 C LYS A 602 1.899 13.186 8.903 1.00 0.46 C ATOM 1643 O LYS A 602 1.695 14.370 9.175 1.00 0.51 O ATOM 1644 CB LYS A 602 4.171 13.172 7.866 1.00 0.59 C ATOM 1645 CG LYS A 602 5.601 12.657 7.877 1.00 0.69 C ATOM 1646 CD LYS A 602 6.362 13.116 9.113 1.00 0.93 C ATOM 1647 CE LYS A 602 6.505 14.631 9.167 1.00 1.49 C ATOM 1648 NZ LYS A 602 7.274 15.164 8.012 1.00 1.73 N ATOM 0 H LYS A 602 3.453 10.796 7.911 1.00 0.41 H new ATOM 0 HA LYS A 602 3.735 12.840 9.945 1.00 0.48 H new ATOM 0 HB2 LYS A 602 3.718 12.940 6.902 1.00 0.59 H new ATOM 0 HB3 LYS A 602 4.185 14.258 7.958 1.00 0.59 H new ATOM 0 HG2 LYS A 602 5.594 11.568 7.839 1.00 0.69 H new ATOM 0 HG3 LYS A 602 6.118 13.004 6.983 1.00 0.69 H new ATOM 0 HD2 LYS A 602 5.844 12.769 10.007 1.00 0.93 H new ATOM 0 HD3 LYS A 602 7.351 12.658 9.120 1.00 0.93 H new ATOM 0 HE2 LYS A 602 5.515 15.087 9.184 1.00 1.49 H new ATOM 0 HE3 LYS A 602 7.003 14.914 10.094 1.00 1.49 H new ATOM 0 HZ1 LYS A 602 7.507 16.163 8.181 1.00 1.73 H new ATOM 0 HZ2 LYS A 602 8.152 14.618 7.898 1.00 1.73 H new ATOM 0 HZ3 LYS A 602 6.702 15.084 7.147 1.00 1.73 H new ATOM 1662 N LYS A 603 0.942 12.354 8.517 1.00 0.44 N ATOM 1663 CA LYS A 603 -0.446 12.768 8.378 1.00 0.48 C ATOM 1664 C LYS A 603 -1.347 11.821 9.166 1.00 0.54 C ATOM 1665 O LYS A 603 -1.017 10.643 9.333 1.00 0.62 O ATOM 1666 CB LYS A 603 -0.844 12.777 6.895 1.00 0.58 C ATOM 1667 CG LYS A 603 -0.034 13.751 6.048 1.00 0.65 C ATOM 1668 CD LYS A 603 -0.376 15.197 6.374 1.00 0.79 C ATOM 1669 CE LYS A 603 0.626 16.165 5.759 1.00 0.90 C ATOM 1670 NZ LYS A 603 0.735 16.017 4.282 1.00 1.69 N ATOM 0 H LYS A 603 1.107 11.373 8.291 1.00 0.44 H new ATOM 0 HA LYS A 603 -0.563 13.776 8.775 1.00 0.48 H new ATOM 0 HB2 LYS A 603 -0.725 11.772 6.490 1.00 0.58 H new ATOM 0 HB3 LYS A 603 -1.901 13.031 6.813 1.00 0.58 H new ATOM 0 HG2 LYS A 603 1.030 13.582 6.215 1.00 0.65 H new ATOM 0 HG3 LYS A 603 -0.225 13.561 4.992 1.00 0.65 H new ATOM 0 HD2 LYS A 603 -1.376 15.426 6.006 1.00 0.79 H new ATOM 0 HD3 LYS A 603 -0.395 15.332 7.455 1.00 0.79 H new ATOM 0 HE2 LYS A 603 0.331 17.187 5.997 1.00 0.90 H new ATOM 0 HE3 LYS A 603 1.605 16.003 6.210 1.00 0.90 H new ATOM 0 HZ1 LYS A 603 1.726 15.834 4.024 1.00 1.69 H new ATOM 0 HZ2 LYS A 603 0.143 15.222 3.968 1.00 1.69 H new ATOM 0 HZ3 LYS A 603 0.413 16.892 3.821 1.00 1.69 H new ATOM 1684 N PRO A 604 -2.474 12.327 9.694 1.00 0.67 N ATOM 1685 CA PRO A 604 -3.426 11.517 10.457 1.00 0.81 C ATOM 1686 C PRO A 604 -4.294 10.635 9.563 1.00 0.80 C ATOM 1687 O PRO A 604 -4.538 10.964 8.401 1.00 1.21 O ATOM 1688 CB PRO A 604 -4.284 12.564 11.165 1.00 1.01 C ATOM 1689 CG PRO A 604 -4.254 13.748 10.262 1.00 1.04 C ATOM 1690 CD PRO A 604 -2.903 13.736 9.595 1.00 0.82 C ATOM 0 HA PRO A 604 -2.923 10.824 11.131 1.00 0.81 H new ATOM 0 HB2 PRO A 604 -5.302 12.206 11.315 1.00 1.01 H new ATOM 0 HB3 PRO A 604 -3.883 12.806 12.149 1.00 1.01 H new ATOM 0 HG2 PRO A 604 -5.053 13.694 9.523 1.00 1.04 H new ATOM 0 HG3 PRO A 604 -4.402 14.670 10.824 1.00 1.04 H new ATOM 0 HD2 PRO A 604 -2.966 14.063 8.557 1.00 0.82 H new ATOM 0 HD3 PRO A 604 -2.203 14.404 10.097 1.00 0.82 H new ATOM 1698 N GLY A 605 -4.762 9.525 10.113 1.00 0.68 N ATOM 1699 CA GLY A 605 -5.577 8.600 9.362 1.00 0.80 C ATOM 1700 C GLY A 605 -6.774 8.123 10.150 1.00 0.84 C ATOM 1701 O GLY A 605 -7.017 8.572 11.273 1.00 1.23 O ATOM 0 H GLY A 605 -4.587 9.248 11.079 1.00 0.68 H new ATOM 0 HA2 GLY A 605 -5.916 9.080 8.444 1.00 0.80 H new ATOM 0 HA3 GLY A 605 -4.972 7.742 9.068 1.00 0.80 H new ATOM 1705 N LYS A 606 -7.510 7.211 9.551 1.00 0.92 N ATOM 1706 CA LYS A 606 -8.699 6.625 10.158 1.00 1.10 C ATOM 1707 C LYS A 606 -8.327 5.310 10.833 1.00 0.81 C ATOM 1708 O LYS A 606 -7.278 4.738 10.535 1.00 0.82 O ATOM 1709 CB LYS A 606 -9.758 6.357 9.083 1.00 1.50 C ATOM 1710 CG LYS A 606 -9.933 7.497 8.092 1.00 1.82 C ATOM 1711 CD LYS A 606 -10.408 8.767 8.770 1.00 2.34 C ATOM 1712 CE LYS A 606 -10.495 9.918 7.785 1.00 2.84 C ATOM 1713 NZ LYS A 606 -9.173 10.231 7.179 1.00 3.47 N ATOM 0 H LYS A 606 -7.303 6.848 8.620 1.00 0.92 H new ATOM 0 HA LYS A 606 -9.102 7.319 10.895 1.00 1.10 H new ATOM 0 HB2 LYS A 606 -9.487 5.453 8.538 1.00 1.50 H new ATOM 0 HB3 LYS A 606 -10.714 6.162 9.569 1.00 1.50 H new ATOM 0 HG2 LYS A 606 -8.986 7.687 7.587 1.00 1.82 H new ATOM 0 HG3 LYS A 606 -10.650 7.205 7.325 1.00 1.82 H new ATOM 0 HD2 LYS A 606 -11.385 8.597 9.221 1.00 2.34 H new ATOM 0 HD3 LYS A 606 -9.725 9.028 9.578 1.00 2.34 H new ATOM 0 HE2 LYS A 606 -11.206 9.668 6.997 1.00 2.84 H new ATOM 0 HE3 LYS A 606 -10.880 10.802 8.293 1.00 2.84 H new ATOM 0 HZ1 LYS A 606 -9.097 11.256 7.023 1.00 3.47 H new ATOM 0 HZ2 LYS A 606 -8.415 9.921 7.820 1.00 3.47 H new ATOM 0 HZ3 LYS A 606 -9.082 9.735 6.269 1.00 3.47 H new ATOM 1727 N ASN A 607 -9.163 4.838 11.750 1.00 0.65 N ATOM 1728 CA ASN A 607 -8.963 3.532 12.370 1.00 0.48 C ATOM 1729 C ASN A 607 -9.034 2.422 11.325 1.00 0.43 C ATOM 1730 O ASN A 607 -10.046 2.259 10.642 1.00 0.60 O ATOM 1731 CB ASN A 607 -10.027 3.311 13.452 1.00 0.59 C ATOM 1732 CG ASN A 607 -9.986 1.925 14.070 1.00 0.79 C ATOM 1733 OD1 ASN A 607 -8.938 1.283 14.132 1.00 1.28 O ATOM 1734 ND2 ASN A 607 -11.135 1.454 14.531 1.00 1.33 N ATOM 0 H ASN A 607 -9.987 5.340 12.082 1.00 0.65 H new ATOM 0 HA ASN A 607 -7.973 3.506 12.826 1.00 0.48 H new ATOM 0 HB2 ASN A 607 -9.894 4.054 14.238 1.00 0.59 H new ATOM 0 HB3 ASN A 607 -11.013 3.478 13.019 1.00 0.59 H new ATOM 0 HD21 ASN A 607 -11.173 0.528 14.956 1.00 1.33 H new ATOM 0 HD22 ASN A 607 -11.982 2.018 14.461 1.00 1.33 H new ATOM 1741 N VAL A 608 -7.960 1.655 11.225 1.00 0.30 N ATOM 1742 CA VAL A 608 -7.845 0.615 10.214 1.00 0.22 C ATOM 1743 C VAL A 608 -8.745 -0.579 10.547 1.00 0.21 C ATOM 1744 O VAL A 608 -9.146 -1.336 9.662 1.00 0.21 O ATOM 1745 CB VAL A 608 -6.370 0.169 10.058 1.00 0.19 C ATOM 1746 CG1 VAL A 608 -6.225 -0.915 9.003 1.00 0.19 C ATOM 1747 CG2 VAL A 608 -5.489 1.365 9.712 1.00 0.27 C ATOM 0 H VAL A 608 -7.148 1.734 11.838 1.00 0.30 H new ATOM 0 HA VAL A 608 -8.180 1.028 9.263 1.00 0.22 H new ATOM 0 HB VAL A 608 -6.045 -0.248 11.011 1.00 0.19 H new ATOM 0 HG11 VAL A 608 -5.177 -1.204 8.920 1.00 0.19 H new ATOM 0 HG12 VAL A 608 -6.819 -1.783 9.289 1.00 0.19 H new ATOM 0 HG13 VAL A 608 -6.574 -0.537 8.042 1.00 0.19 H new ATOM 0 HG21 VAL A 608 -4.455 1.037 9.605 1.00 0.27 H new ATOM 0 HG22 VAL A 608 -5.828 1.807 8.775 1.00 0.27 H new ATOM 0 HG23 VAL A 608 -5.554 2.107 10.508 1.00 0.27 H new ATOM 1757 N ALA A 609 -9.090 -0.728 11.820 1.00 0.28 N ATOM 1758 CA ALA A 609 -10.013 -1.779 12.241 1.00 0.33 C ATOM 1759 C ALA A 609 -11.406 -1.530 11.663 1.00 0.32 C ATOM 1760 O ALA A 609 -12.124 -2.466 11.283 1.00 0.32 O ATOM 1761 CB ALA A 609 -10.070 -1.861 13.757 1.00 0.44 C ATOM 0 H ALA A 609 -8.747 -0.138 12.578 1.00 0.28 H new ATOM 0 HA ALA A 609 -9.648 -2.733 11.859 1.00 0.33 H new ATOM 0 HB1 ALA A 609 -10.762 -2.649 14.053 1.00 0.44 H new ATOM 0 HB2 ALA A 609 -9.077 -2.085 14.147 1.00 0.44 H new ATOM 0 HB3 ALA A 609 -10.412 -0.908 14.160 1.00 0.44 H new ATOM 1767 N ALA A 610 -11.777 -0.257 11.582 1.00 0.33 N ATOM 1768 CA ALA A 610 -13.042 0.132 10.979 1.00 0.35 C ATOM 1769 C ALA A 610 -13.046 -0.232 9.503 1.00 0.30 C ATOM 1770 O ALA A 610 -14.084 -0.545 8.929 1.00 0.31 O ATOM 1771 CB ALA A 610 -13.285 1.623 11.160 1.00 0.40 C ATOM 0 H ALA A 610 -11.217 0.523 11.928 1.00 0.33 H new ATOM 0 HA ALA A 610 -13.848 -0.407 11.477 1.00 0.35 H new ATOM 0 HB1 ALA A 610 -14.236 1.895 10.702 1.00 0.40 H new ATOM 0 HB2 ALA A 610 -13.313 1.861 12.223 1.00 0.40 H new ATOM 0 HB3 ALA A 610 -12.480 2.183 10.684 1.00 0.40 H new ATOM 1777 N ILE A 611 -11.860 -0.223 8.910 1.00 0.25 N ATOM 1778 CA ILE A 611 -11.703 -0.556 7.505 1.00 0.23 C ATOM 1779 C ILE A 611 -11.977 -2.044 7.290 1.00 0.22 C ATOM 1780 O ILE A 611 -12.502 -2.445 6.252 1.00 0.23 O ATOM 1781 CB ILE A 611 -10.289 -0.192 7.004 1.00 0.20 C ATOM 1782 CG1 ILE A 611 -10.051 1.309 7.190 1.00 0.24 C ATOM 1783 CG2 ILE A 611 -10.118 -0.577 5.542 1.00 0.22 C ATOM 1784 CD1 ILE A 611 -8.685 1.774 6.748 1.00 0.23 C ATOM 0 H ILE A 611 -10.989 0.013 9.385 1.00 0.25 H new ATOM 0 HA ILE A 611 -12.423 0.026 6.930 1.00 0.23 H new ATOM 0 HB ILE A 611 -9.555 -0.748 7.587 1.00 0.20 H new ATOM 0 HG12 ILE A 611 -10.809 1.858 6.631 1.00 0.24 H new ATOM 0 HG13 ILE A 611 -10.186 1.560 8.242 1.00 0.24 H new ATOM 0 HG21 ILE A 611 -9.114 -0.311 5.211 1.00 0.22 H new ATOM 0 HG22 ILE A 611 -10.265 -1.651 5.429 1.00 0.22 H new ATOM 0 HG23 ILE A 611 -10.852 -0.045 4.937 1.00 0.22 H new ATOM 0 HD11 ILE A 611 -8.595 2.848 6.912 1.00 0.23 H new ATOM 0 HD12 ILE A 611 -7.920 1.254 7.324 1.00 0.23 H new ATOM 0 HD13 ILE A 611 -8.552 1.557 5.688 1.00 0.23 H new ATOM 1796 N ILE A 612 -11.635 -2.859 8.290 1.00 0.22 N ATOM 1797 CA ILE A 612 -11.971 -4.282 8.267 1.00 0.24 C ATOM 1798 C ILE A 612 -13.485 -4.449 8.195 1.00 0.27 C ATOM 1799 O ILE A 612 -14.002 -5.269 7.434 1.00 0.28 O ATOM 1800 CB ILE A 612 -11.455 -5.018 9.527 1.00 0.26 C ATOM 1801 CG1 ILE A 612 -9.952 -4.799 9.716 1.00 0.26 C ATOM 1802 CG2 ILE A 612 -11.762 -6.507 9.434 1.00 0.31 C ATOM 1803 CD1 ILE A 612 -9.409 -5.376 11.008 1.00 0.31 C ATOM 0 H ILE A 612 -11.128 -2.559 9.122 1.00 0.22 H new ATOM 0 HA ILE A 612 -11.490 -4.717 7.391 1.00 0.24 H new ATOM 0 HB ILE A 612 -11.970 -4.604 10.394 1.00 0.26 H new ATOM 0 HG12 ILE A 612 -9.420 -5.247 8.877 1.00 0.26 H new ATOM 0 HG13 ILE A 612 -9.744 -3.729 9.691 1.00 0.26 H new ATOM 0 HG21 ILE A 612 -11.393 -7.011 10.327 1.00 0.31 H new ATOM 0 HG22 ILE A 612 -12.839 -6.652 9.354 1.00 0.31 H new ATOM 0 HG23 ILE A 612 -11.274 -6.925 8.554 1.00 0.31 H new ATOM 0 HD11 ILE A 612 -8.338 -5.182 11.072 1.00 0.31 H new ATOM 0 HD12 ILE A 612 -9.913 -4.910 11.855 1.00 0.31 H new ATOM 0 HD13 ILE A 612 -9.585 -6.452 11.028 1.00 0.31 H new ATOM 1815 N GLN A 613 -14.189 -3.634 8.971 1.00 0.31 N ATOM 1816 CA GLN A 613 -15.651 -3.642 8.971 1.00 0.35 C ATOM 1817 C GLN A 613 -16.173 -3.246 7.588 1.00 0.34 C ATOM 1818 O GLN A 613 -17.146 -3.810 7.080 1.00 0.37 O ATOM 1819 CB GLN A 613 -16.178 -2.661 10.016 1.00 0.41 C ATOM 1820 CG GLN A 613 -15.619 -2.899 11.407 1.00 0.49 C ATOM 1821 CD GLN A 613 -16.043 -1.835 12.402 1.00 1.37 C ATOM 1822 OE1 GLN A 613 -16.149 -2.097 13.600 1.00 1.97 O ATOM 1823 NE2 GLN A 613 -16.291 -0.627 11.916 1.00 2.31 N ATOM 0 H GLN A 613 -13.772 -2.957 9.610 1.00 0.31 H new ATOM 0 HA GLN A 613 -15.999 -4.646 9.214 1.00 0.35 H new ATOM 0 HB2 GLN A 613 -15.935 -1.645 9.704 1.00 0.41 H new ATOM 0 HB3 GLN A 613 -17.265 -2.731 10.053 1.00 0.41 H new ATOM 0 HG2 GLN A 613 -15.948 -3.875 11.764 1.00 0.49 H new ATOM 0 HG3 GLN A 613 -14.531 -2.929 11.356 1.00 0.49 H new ATOM 0 HE21 GLN A 613 -16.192 -0.449 10.917 1.00 2.31 H new ATOM 0 HE22 GLN A 613 -16.581 0.125 12.541 1.00 2.31 H new ATOM 1832 N ASP A 614 -15.483 -2.286 6.986 1.00 0.33 N ATOM 1833 CA ASP A 614 -15.835 -1.791 5.659 1.00 0.33 C ATOM 1834 C ASP A 614 -15.650 -2.876 4.610 1.00 0.30 C ATOM 1835 O ASP A 614 -16.497 -3.049 3.737 1.00 0.34 O ATOM 1836 CB ASP A 614 -15.005 -0.560 5.286 1.00 0.36 C ATOM 1837 CG ASP A 614 -15.632 0.732 5.767 1.00 0.95 C ATOM 1838 OD1 ASP A 614 -15.226 1.240 6.832 1.00 1.95 O ATOM 1839 OD2 ASP A 614 -16.535 1.249 5.072 1.00 1.09 O ATOM 0 H ASP A 614 -14.669 -1.830 7.399 1.00 0.33 H new ATOM 0 HA ASP A 614 -16.886 -1.502 5.687 1.00 0.33 H new ATOM 0 HB2 ASP A 614 -14.007 -0.656 5.713 1.00 0.36 H new ATOM 0 HB3 ASP A 614 -14.886 -0.521 4.203 1.00 0.36 H new ATOM 1844 N ILE A 615 -14.551 -3.616 4.711 1.00 0.26 N ATOM 1845 CA ILE A 615 -14.273 -4.710 3.786 1.00 0.27 C ATOM 1846 C ILE A 615 -15.366 -5.766 3.853 1.00 0.32 C ATOM 1847 O ILE A 615 -15.803 -6.281 2.828 1.00 0.35 O ATOM 1848 CB ILE A 615 -12.912 -5.374 4.076 1.00 0.24 C ATOM 1849 CG1 ILE A 615 -11.789 -4.356 3.907 1.00 0.20 C ATOM 1850 CG2 ILE A 615 -12.685 -6.572 3.161 1.00 0.29 C ATOM 1851 CD1 ILE A 615 -10.431 -4.895 4.272 1.00 0.18 C ATOM 0 H ILE A 615 -13.836 -3.478 5.426 1.00 0.26 H new ATOM 0 HA ILE A 615 -14.243 -4.277 2.786 1.00 0.27 H new ATOM 0 HB ILE A 615 -12.915 -5.732 5.106 1.00 0.24 H new ATOM 0 HG12 ILE A 615 -11.770 -4.016 2.872 1.00 0.20 H new ATOM 0 HG13 ILE A 615 -12.003 -3.484 4.525 1.00 0.20 H new ATOM 0 HG21 ILE A 615 -11.718 -7.023 3.385 1.00 0.29 H new ATOM 0 HG22 ILE A 615 -13.474 -7.307 3.321 1.00 0.29 H new ATOM 0 HG23 ILE A 615 -12.700 -6.244 2.122 1.00 0.29 H new ATOM 0 HD11 ILE A 615 -9.680 -4.118 4.128 1.00 0.18 H new ATOM 0 HD12 ILE A 615 -10.433 -5.209 5.316 1.00 0.18 H new ATOM 0 HD13 ILE A 615 -10.196 -5.749 3.637 1.00 0.18 H new ATOM 1863 N HIS A 616 -15.816 -6.076 5.064 1.00 0.37 N ATOM 1864 CA HIS A 616 -16.874 -7.062 5.244 1.00 0.46 C ATOM 1865 C HIS A 616 -18.183 -6.575 4.633 1.00 0.44 C ATOM 1866 O HIS A 616 -19.013 -7.380 4.211 1.00 0.46 O ATOM 1867 CB HIS A 616 -17.066 -7.413 6.723 1.00 0.59 C ATOM 1868 CG HIS A 616 -16.035 -8.364 7.253 1.00 0.70 C ATOM 1869 ND1 HIS A 616 -16.209 -9.733 7.269 1.00 1.26 N ATOM 1870 CD2 HIS A 616 -14.812 -8.141 7.788 1.00 0.76 C ATOM 1871 CE1 HIS A 616 -15.140 -10.305 7.790 1.00 1.24 C ATOM 1872 NE2 HIS A 616 -14.278 -9.363 8.114 1.00 0.82 N ATOM 0 H HIS A 616 -15.468 -5.662 5.929 1.00 0.37 H new ATOM 0 HA HIS A 616 -16.569 -7.969 4.722 1.00 0.46 H new ATOM 0 HB2 HIS A 616 -17.039 -6.496 7.312 1.00 0.59 H new ATOM 0 HB3 HIS A 616 -18.055 -7.850 6.859 1.00 0.59 H new ATOM 0 HD2 HIS A 616 -14.343 -7.179 7.932 1.00 0.76 H new ATOM 0 HE1 HIS A 616 -14.996 -11.366 7.928 1.00 1.24 H new ATOM 0 HE2 HIS A 616 -13.363 -9.517 8.538 1.00 0.82 H new ATOM 1881 N SER A 617 -18.364 -5.260 4.588 1.00 0.45 N ATOM 1882 CA SER A 617 -19.520 -4.674 3.932 1.00 0.51 C ATOM 1883 C SER A 617 -19.355 -4.724 2.410 1.00 0.49 C ATOM 1884 O SER A 617 -20.310 -4.967 1.676 1.00 0.57 O ATOM 1885 CB SER A 617 -19.708 -3.227 4.387 1.00 0.58 C ATOM 1886 OG SER A 617 -19.775 -3.136 5.801 1.00 1.18 O ATOM 0 H SER A 617 -17.723 -4.582 4.999 1.00 0.45 H new ATOM 0 HA SER A 617 -20.402 -5.251 4.208 1.00 0.51 H new ATOM 0 HB2 SER A 617 -18.882 -2.618 4.020 1.00 0.58 H new ATOM 0 HB3 SER A 617 -20.621 -2.822 3.951 1.00 0.58 H new ATOM 0 HG SER A 617 -18.898 -3.348 6.184 1.00 1.18 H new ATOM 1892 N GLN A 618 -18.124 -4.510 1.956 1.00 0.49 N ATOM 1893 CA GLN A 618 -17.809 -4.461 0.532 1.00 0.58 C ATOM 1894 C GLN A 618 -17.770 -5.854 -0.087 1.00 1.36 C ATOM 1895 O GLN A 618 -18.554 -6.153 -0.991 1.00 2.14 O ATOM 1896 CB GLN A 618 -16.467 -3.757 0.325 1.00 1.70 C ATOM 1897 CG GLN A 618 -16.538 -2.251 0.517 1.00 2.78 C ATOM 1898 CD GLN A 618 -15.177 -1.620 0.731 1.00 3.81 C ATOM 1899 OE1 GLN A 618 -14.741 -1.438 1.866 1.00 4.17 O ATOM 1900 NE2 GLN A 618 -14.493 -1.297 -0.353 1.00 4.68 N ATOM 0 H GLN A 618 -17.318 -4.366 2.564 1.00 0.49 H new ATOM 0 HA GLN A 618 -18.599 -3.901 0.032 1.00 0.58 H new ATOM 0 HB2 GLN A 618 -15.737 -4.170 1.021 1.00 1.70 H new ATOM 0 HB3 GLN A 618 -16.105 -3.971 -0.681 1.00 1.70 H new ATOM 0 HG2 GLN A 618 -17.009 -1.800 -0.357 1.00 2.78 H new ATOM 0 HG3 GLN A 618 -17.175 -2.028 1.373 1.00 2.78 H new ATOM 0 HE21 GLN A 618 -14.892 -1.465 -1.277 1.00 4.68 H new ATOM 0 HE22 GLN A 618 -13.566 -0.880 -0.266 1.00 4.68 H new ATOM 1909 N ARG A 619 -16.863 -6.695 0.411 1.00 2.22 N ATOM 1910 CA ARG A 619 -16.668 -8.054 -0.098 1.00 3.46 C ATOM 1911 C ARG A 619 -16.097 -8.037 -1.519 1.00 4.18 C ATOM 1912 O ARG A 619 -16.738 -7.554 -2.458 1.00 4.57 O ATOM 1913 CB ARG A 619 -17.980 -8.845 -0.062 1.00 4.18 C ATOM 1914 CG ARG A 619 -18.606 -8.927 1.320 1.00 4.41 C ATOM 1915 CD ARG A 619 -19.937 -9.658 1.284 1.00 5.33 C ATOM 1916 NE ARG A 619 -20.902 -9.008 0.395 1.00 6.03 N ATOM 1917 CZ ARG A 619 -22.007 -9.599 -0.062 1.00 6.96 C ATOM 1918 NH1 ARG A 619 -22.300 -10.843 0.301 1.00 7.33 N ATOM 1919 NH2 ARG A 619 -22.825 -8.942 -0.875 1.00 7.77 N ATOM 0 H ARG A 619 -16.240 -6.452 1.182 1.00 2.22 H new ATOM 0 HA ARG A 619 -15.947 -8.549 0.553 1.00 3.46 H new ATOM 0 HB2 ARG A 619 -18.691 -8.383 -0.747 1.00 4.18 H new ATOM 0 HB3 ARG A 619 -17.795 -9.855 -0.428 1.00 4.18 H new ATOM 0 HG2 ARG A 619 -17.926 -9.441 1.999 1.00 4.41 H new ATOM 0 HG3 ARG A 619 -18.752 -7.922 1.715 1.00 4.41 H new ATOM 0 HD2 ARG A 619 -19.777 -10.685 0.955 1.00 5.33 H new ATOM 0 HD3 ARG A 619 -20.350 -9.707 2.292 1.00 5.33 H new ATOM 0 HE ARG A 619 -20.718 -8.047 0.108 1.00 6.03 H new ATOM 0 HH11 ARG A 619 -21.679 -11.350 0.932 1.00 7.33 H new ATOM 0 HH12 ARG A 619 -23.146 -11.291 -0.051 1.00 7.33 H new ATOM 0 HH21 ARG A 619 -22.609 -7.984 -1.151 1.00 7.77 H new ATOM 0 HH22 ARG A 619 -23.670 -9.395 -1.224 1.00 7.77 H new ATOM 1933 N GLU A 620 -14.887 -8.569 -1.665 1.00 4.80 N ATOM 1934 CA GLU A 620 -14.212 -8.626 -2.960 1.00 5.84 C ATOM 1935 C GLU A 620 -15.028 -9.440 -3.967 1.00 6.68 C ATOM 1936 O GLU A 620 -15.859 -10.264 -3.581 1.00 7.20 O ATOM 1937 CB GLU A 620 -12.816 -9.242 -2.798 1.00 6.43 C ATOM 1938 CG GLU A 620 -11.978 -9.228 -4.069 1.00 6.93 C ATOM 1939 CD GLU A 620 -10.687 -10.004 -3.925 1.00 7.53 C ATOM 1940 OE1 GLU A 620 -9.654 -9.390 -3.585 1.00 7.92 O ATOM 1941 OE2 GLU A 620 -10.699 -11.231 -4.146 1.00 7.86 O ATOM 0 H GLU A 620 -14.349 -8.970 -0.896 1.00 4.80 H new ATOM 0 HA GLU A 620 -14.115 -7.609 -3.340 1.00 5.84 H new ATOM 0 HB2 GLU A 620 -12.281 -8.702 -2.017 1.00 6.43 H new ATOM 0 HB3 GLU A 620 -12.923 -10.272 -2.457 1.00 6.43 H new ATOM 0 HG2 GLU A 620 -12.561 -9.649 -4.888 1.00 6.93 H new ATOM 0 HG3 GLU A 620 -11.749 -8.197 -4.337 1.00 6.93 H new ATOM 1948 N ARG A 621 -14.787 -9.191 -5.249 1.00 7.11 N ATOM 1949 CA ARG A 621 -15.465 -9.899 -6.328 1.00 8.13 C ATOM 1950 C ARG A 621 -15.277 -11.405 -6.191 1.00 9.01 C ATOM 1951 O ARG A 621 -14.152 -11.889 -6.430 1.00 9.48 O ATOM 1952 CB ARG A 621 -14.926 -9.433 -7.683 1.00 8.49 C ATOM 1953 CG ARG A 621 -15.103 -7.945 -7.928 1.00 8.97 C ATOM 1954 CD ARG A 621 -14.500 -7.519 -9.255 1.00 9.41 C ATOM 1955 NE ARG A 621 -14.725 -6.098 -9.513 1.00 9.86 N ATOM 1956 CZ ARG A 621 -14.235 -5.437 -10.562 1.00 10.40 C ATOM 1957 NH1 ARG A 621 -13.445 -6.048 -11.435 1.00 10.55 N ATOM 1958 NH2 ARG A 621 -14.523 -4.154 -10.721 1.00 11.00 N ATOM 1959 OXT ARG A 621 -16.253 -12.102 -5.848 1.00 9.43 O ATOM 0 H ARG A 621 -14.116 -8.493 -5.570 1.00 7.11 H new ATOM 0 HA ARG A 621 -16.530 -9.675 -6.266 1.00 8.13 H new ATOM 0 HB2 ARG A 621 -13.866 -9.680 -7.748 1.00 8.49 H new ATOM 0 HB3 ARG A 621 -15.431 -9.986 -8.475 1.00 8.49 H new ATOM 0 HG2 ARG A 621 -16.164 -7.698 -7.914 1.00 8.97 H new ATOM 0 HG3 ARG A 621 -14.635 -7.385 -7.119 1.00 8.97 H new ATOM 0 HD2 ARG A 621 -13.430 -7.725 -9.252 1.00 9.41 H new ATOM 0 HD3 ARG A 621 -14.936 -8.110 -10.061 1.00 9.41 H new ATOM 0 HE ARG A 621 -15.295 -5.577 -8.846 1.00 9.86 H new ATOM 0 HH11 ARG A 621 -13.208 -7.032 -11.307 1.00 10.55 H new ATOM 0 HH12 ARG A 621 -13.075 -5.534 -12.235 1.00 10.55 H new ATOM 0 HH21 ARG A 621 -15.117 -3.677 -10.043 1.00 11.00 H new ATOM 0 HH22 ARG A 621 -14.151 -3.643 -11.522 1.00 11.00 H new TER 1973 ARG A 621