USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 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 647 MET CE :methyl 178:sc= -0.151 (180deg=-0.158) USER MOD Set 1.2: A 648 MET CE :methyl 156:sc= -0.992 (180deg=-2.05!) USER MOD Set 2.1: A 559 LYS NZ :NH3+ -127:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 637 ASN : amide:sc= 1.02 K(o=2.3,f=-5.5) USER MOD Set 3.1: A 602 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 605 SER OG : rot -100:sc= 0.326 USER MOD Set 4.1: A 593 THR OG1 : rot 180:sc= -0.241 USER MOD Set 4.2: A 596 ASN : amide:sc= -0.947 K(o=-1.5,f=-6.1!) USER MOD Set 4.3: A 599 MET CE :methyl -165:sc= -0.331 (180deg=-1.05) USER MOD Set 5.1: A 580 LYS NZ :NH3+ 154:sc= 0.753 (180deg=0.384) USER MOD Set 5.2: A 634 SER OG : rot -136:sc= 1.99 USER MOD Single : A 535 CYS SG : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 63:sc= 1.09 USER MOD Single : A 542 MET CE :methyl -128:sc= -0.0688 (180deg=-1.02) USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 554 THR OG1 : rot 110:sc= 1.27 USER MOD Single : A 556 MET CE :methyl 141:sc= -0.747 (180deg=-1.57) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.087) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0723 USER MOD Single : A 579 LYS NZ :NH3+ -170:sc= 1.51 (180deg=1.23) USER MOD Single : A 581 MET CE :methyl -162:sc= -1.53 (180deg=-3.85) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 585 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.46) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 590 SER OG : rot 127:sc=0.000793 USER MOD Single : A 594 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0169) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot -82:sc= -0.545 USER MOD Single : A 614 THR OG1 : rot 107:sc= 0.1 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 626 THR OG1 : rot 180:sc= 0 USER MOD Single : A 627 TYR OH : rot 180:sc= -0.0317 USER MOD Single : A 628 CYS SG : rot 136:sc= -0.566 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 51:sc= 1.24 USER MOD Single : A 639 ASN : amide:sc= -0.355 K(o=-0.35,f=-2.9!) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N CYS A 535 4.959 10.554 5.212 1.00 2.68 N ATOM 16 CA CYS A 535 6.273 10.276 5.797 1.00 2.84 C ATOM 17 C CYS A 535 6.963 9.118 5.067 1.00 2.02 C ATOM 18 O CYS A 535 6.320 8.138 4.691 1.00 1.59 O ATOM 19 CB CYS A 535 6.150 9.990 7.299 1.00 5.26 C ATOM 20 SG CYS A 535 6.228 11.550 8.213 1.00 6.81 S ATOM 0 HA CYS A 535 6.895 11.163 5.675 1.00 2.84 H new ATOM 0 HB2 CYS A 535 5.210 9.479 7.508 1.00 5.26 H new ATOM 0 HB3 CYS A 535 6.952 9.326 7.621 1.00 5.26 H new ATOM 0 HG CYS A 535 6.122 11.312 9.487 1.00 6.81 H new ATOM 26 N ARG A 536 8.291 9.174 4.947 1.00 2.05 N ATOM 27 CA ARG A 536 9.103 8.091 4.371 1.00 1.68 C ATOM 28 C ARG A 536 8.935 6.815 5.201 1.00 1.76 C ATOM 29 O ARG A 536 8.685 5.749 4.644 1.00 1.75 O ATOM 30 CB ARG A 536 10.581 8.512 4.285 1.00 2.14 C ATOM 31 CG ARG A 536 10.875 9.680 3.326 1.00 1.79 C ATOM 32 CD ARG A 536 10.467 11.081 3.826 1.00 2.49 C ATOM 33 NE ARG A 536 9.204 11.566 3.234 1.00 4.18 N ATOM 34 CZ ARG A 536 9.017 11.953 1.990 1.00 5.71 C ATOM 35 NH1 ARG A 536 9.983 12.077 1.140 1.00 5.91 N ATOM 36 NH2 ARG A 536 7.829 12.236 1.561 1.00 7.60 N ATOM 0 H ARG A 536 8.841 9.978 5.249 1.00 2.05 H new ATOM 0 HA ARG A 536 8.758 7.887 3.357 1.00 1.68 H new ATOM 0 HB2 ARG A 536 10.922 8.787 5.283 1.00 2.14 H new ATOM 0 HB3 ARG A 536 11.170 7.650 3.973 1.00 2.14 H new ATOM 0 HG2 ARG A 536 11.944 9.689 3.112 1.00 1.79 H new ATOM 0 HG3 ARG A 536 10.363 9.488 2.383 1.00 1.79 H new ATOM 0 HD2 ARG A 536 10.366 11.057 4.911 1.00 2.49 H new ATOM 0 HD3 ARG A 536 11.264 11.788 3.595 1.00 2.49 H new ATOM 0 HE ARG A 536 8.394 11.605 3.852 1.00 4.18 H new ATOM 0 HH11 ARG A 536 10.941 11.871 1.423 1.00 5.91 H new ATOM 0 HH12 ARG A 536 9.787 12.380 0.186 1.00 5.91 H new ATOM 0 HH21 ARG A 536 7.029 12.160 2.189 1.00 7.60 H new ATOM 0 HH22 ARG A 536 7.693 12.535 0.595 1.00 7.60 H new ATOM 50 N LYS A 537 8.901 6.958 6.532 1.00 2.10 N ATOM 51 CA LYS A 537 8.515 5.924 7.506 1.00 2.23 C ATOM 52 C LYS A 537 7.140 5.285 7.242 1.00 1.82 C ATOM 53 O LYS A 537 6.928 4.137 7.631 1.00 2.01 O ATOM 54 CB LYS A 537 8.555 6.576 8.903 1.00 2.60 C ATOM 55 CG LYS A 537 8.157 5.659 10.072 1.00 3.56 C ATOM 56 CD LYS A 537 9.108 4.472 10.262 1.00 5.03 C ATOM 57 CE LYS A 537 8.460 3.404 11.150 1.00 5.92 C ATOM 58 NZ LYS A 537 9.464 2.444 11.661 1.00 7.26 N ATOM 0 H LYS A 537 9.153 7.838 6.982 1.00 2.10 H new ATOM 0 HA LYS A 537 9.220 5.097 7.421 1.00 2.23 H new ATOM 0 HB2 LYS A 537 9.564 6.948 9.083 1.00 2.60 H new ATOM 0 HB3 LYS A 537 7.892 7.441 8.900 1.00 2.60 H new ATOM 0 HG2 LYS A 537 8.130 6.244 10.991 1.00 3.56 H new ATOM 0 HG3 LYS A 537 7.148 5.284 9.903 1.00 3.56 H new ATOM 0 HD2 LYS A 537 9.362 4.043 9.293 1.00 5.03 H new ATOM 0 HD3 LYS A 537 10.040 4.813 10.714 1.00 5.03 H new ATOM 0 HE2 LYS A 537 7.954 3.884 11.988 1.00 5.92 H new ATOM 0 HE3 LYS A 537 7.699 2.869 10.582 1.00 5.92 H new ATOM 0 HZ1 LYS A 537 8.993 1.734 12.258 1.00 7.26 H new ATOM 0 HZ2 LYS A 537 9.929 1.970 10.861 1.00 7.26 H new ATOM 0 HZ3 LYS A 537 10.176 2.953 12.223 1.00 7.26 H new ATOM 72 N LEU A 538 6.209 5.992 6.597 1.00 1.43 N ATOM 73 CA LEU A 538 4.831 5.532 6.401 1.00 1.20 C ATOM 74 C LEU A 538 4.725 4.532 5.244 1.00 1.21 C ATOM 75 O LEU A 538 4.120 3.474 5.409 1.00 1.49 O ATOM 76 CB LEU A 538 3.906 6.748 6.206 1.00 1.13 C ATOM 77 CG LEU A 538 2.443 6.453 6.572 1.00 1.35 C ATOM 78 CD1 LEU A 538 2.278 6.325 8.090 1.00 2.23 C ATOM 79 CD2 LEU A 538 1.546 7.593 6.102 1.00 2.08 C ATOM 0 H LEU A 538 6.392 6.910 6.192 1.00 1.43 H new ATOM 0 HA LEU A 538 4.509 4.994 7.293 1.00 1.20 H new ATOM 0 HB2 LEU A 538 4.268 7.575 6.817 1.00 1.13 H new ATOM 0 HB3 LEU A 538 3.957 7.073 5.167 1.00 1.13 H new ATOM 0 HG LEU A 538 2.163 5.518 6.087 1.00 1.35 H new ATOM 0 HD11 LEU A 538 1.235 6.116 8.326 1.00 2.23 H new ATOM 0 HD12 LEU A 538 2.903 5.511 8.457 1.00 2.23 H new ATOM 0 HD13 LEU A 538 2.579 7.257 8.569 1.00 2.23 H new ATOM 0 HD21 LEU A 538 0.511 7.374 6.366 1.00 2.08 H new ATOM 0 HD22 LEU A 538 1.855 8.521 6.583 1.00 2.08 H new ATOM 0 HD23 LEU A 538 1.630 7.700 5.020 1.00 2.08 H new ATOM 91 N VAL A 539 5.403 4.798 4.119 1.00 1.08 N ATOM 92 CA VAL A 539 5.634 3.776 3.080 1.00 1.15 C ATOM 93 C VAL A 539 6.544 2.678 3.643 1.00 1.45 C ATOM 94 O VAL A 539 6.167 1.508 3.620 1.00 1.73 O ATOM 95 CB VAL A 539 6.096 4.407 1.744 1.00 0.93 C ATOM 96 CG1 VAL A 539 7.599 4.356 1.494 1.00 1.07 C ATOM 97 CG2 VAL A 539 5.410 3.717 0.565 1.00 1.02 C ATOM 0 H VAL A 539 5.802 5.711 3.902 1.00 1.08 H new ATOM 0 HA VAL A 539 4.697 3.287 2.815 1.00 1.15 H new ATOM 0 HB VAL A 539 5.815 5.457 1.829 1.00 0.93 H new ATOM 0 HG11 VAL A 539 7.824 4.822 0.535 1.00 1.07 H new ATOM 0 HG12 VAL A 539 8.118 4.892 2.288 1.00 1.07 H new ATOM 0 HG13 VAL A 539 7.930 3.318 1.480 1.00 1.07 H new ATOM 0 HG21 VAL A 539 5.745 4.171 -0.367 1.00 1.02 H new ATOM 0 HG22 VAL A 539 5.666 2.657 0.565 1.00 1.02 H new ATOM 0 HG23 VAL A 539 4.330 3.829 0.656 1.00 1.02 H new ATOM 107 N ALA A 540 7.654 3.043 4.295 1.00 1.51 N ATOM 108 CA ALA A 540 8.673 2.122 4.800 1.00 1.81 C ATOM 109 C ALA A 540 8.256 1.257 6.007 1.00 1.93 C ATOM 110 O ALA A 540 9.090 0.528 6.536 1.00 2.01 O ATOM 111 CB ALA A 540 9.934 2.920 5.142 1.00 1.94 C ATOM 0 H ALA A 540 7.873 4.020 4.491 1.00 1.51 H new ATOM 0 HA ALA A 540 8.847 1.406 3.997 1.00 1.81 H new ATOM 0 HB1 ALA A 540 10.701 2.244 5.520 1.00 1.94 H new ATOM 0 HB2 ALA A 540 10.301 3.422 4.247 1.00 1.94 H new ATOM 0 HB3 ALA A 540 9.699 3.663 5.904 1.00 1.94 H new ATOM 117 N SER A 541 7.002 1.307 6.461 1.00 1.98 N ATOM 118 CA SER A 541 6.536 0.565 7.638 1.00 2.09 C ATOM 119 C SER A 541 6.200 -0.892 7.311 1.00 2.06 C ATOM 120 O SER A 541 5.998 -1.718 8.208 1.00 2.15 O ATOM 121 CB SER A 541 5.351 1.282 8.266 1.00 2.29 C ATOM 122 OG SER A 541 5.809 2.239 9.201 1.00 2.45 O ATOM 0 H SER A 541 6.274 1.868 6.019 1.00 1.98 H new ATOM 0 HA SER A 541 7.352 0.535 8.360 1.00 2.09 H new ATOM 0 HB2 SER A 541 4.759 1.771 7.492 1.00 2.29 H new ATOM 0 HB3 SER A 541 4.699 0.562 8.759 1.00 2.29 H new ATOM 0 HG SER A 541 6.336 2.923 8.738 1.00 2.45 H new ATOM 128 N MET A 542 6.170 -1.226 6.020 1.00 1.98 N ATOM 129 CA MET A 542 6.063 -2.594 5.537 1.00 1.95 C ATOM 130 C MET A 542 7.374 -3.383 5.742 1.00 1.75 C ATOM 131 O MET A 542 8.459 -2.828 5.524 1.00 1.62 O ATOM 132 CB MET A 542 5.703 -2.584 4.048 1.00 2.05 C ATOM 133 CG MET A 542 4.197 -2.733 3.830 1.00 2.18 C ATOM 134 SD MET A 542 3.699 -2.711 2.088 1.00 2.45 S ATOM 135 CE MET A 542 3.677 -4.488 1.720 1.00 2.26 C ATOM 0 H MET A 542 6.221 -0.536 5.270 1.00 1.98 H new ATOM 0 HA MET A 542 5.281 -3.089 6.113 1.00 1.95 H new ATOM 0 HB2 MET A 542 6.046 -1.653 3.597 1.00 2.05 H new ATOM 0 HB3 MET A 542 6.226 -3.395 3.542 1.00 2.05 H new ATOM 0 HG2 MET A 542 3.866 -3.669 4.280 1.00 2.18 H new ATOM 0 HG3 MET A 542 3.683 -1.928 4.354 1.00 2.18 H new ATOM 0 HE1 MET A 542 4.275 -4.683 0.830 1.00 2.26 H new ATOM 0 HE2 MET A 542 4.092 -5.039 2.564 1.00 2.26 H new ATOM 0 HE3 MET A 542 2.651 -4.811 1.545 1.00 2.26 H new ATOM 145 N PRO A 543 7.306 -4.692 6.054 1.00 1.79 N ATOM 146 CA PRO A 543 8.468 -5.583 6.051 1.00 1.76 C ATOM 147 C PRO A 543 9.270 -5.572 4.744 1.00 1.52 C ATOM 148 O PRO A 543 10.493 -5.706 4.782 1.00 1.44 O ATOM 149 CB PRO A 543 7.932 -6.988 6.330 1.00 2.07 C ATOM 150 CG PRO A 543 6.568 -6.769 6.975 1.00 1.98 C ATOM 151 CD PRO A 543 6.115 -5.385 6.524 1.00 1.91 C ATOM 0 HA PRO A 543 9.172 -5.239 6.809 1.00 1.76 H new ATOM 0 HB2 PRO A 543 7.845 -7.567 5.411 1.00 2.07 H new ATOM 0 HB3 PRO A 543 8.598 -7.540 6.993 1.00 2.07 H new ATOM 0 HG2 PRO A 543 5.859 -7.535 6.660 1.00 1.98 H new ATOM 0 HG3 PRO A 543 6.635 -6.824 8.062 1.00 1.98 H new ATOM 0 HD2 PRO A 543 5.371 -5.460 5.731 1.00 1.91 H new ATOM 0 HD3 PRO A 543 5.650 -4.842 7.347 1.00 1.91 H new ATOM 159 N LEU A 544 8.638 -5.370 3.582 1.00 1.51 N ATOM 160 CA LEU A 544 9.360 -5.391 2.303 1.00 1.45 C ATOM 161 C LEU A 544 10.342 -4.210 2.096 1.00 1.33 C ATOM 162 O LEU A 544 11.213 -4.280 1.228 1.00 1.33 O ATOM 163 CB LEU A 544 8.392 -5.717 1.141 1.00 1.78 C ATOM 164 CG LEU A 544 8.045 -4.578 0.172 1.00 1.40 C ATOM 165 CD1 LEU A 544 7.152 -5.095 -0.958 1.00 1.56 C ATOM 166 CD2 LEU A 544 7.315 -3.446 0.876 1.00 2.41 C ATOM 0 H LEU A 544 7.637 -5.192 3.500 1.00 1.51 H new ATOM 0 HA LEU A 544 10.068 -6.219 2.323 1.00 1.45 H new ATOM 0 HB2 LEU A 544 8.824 -6.533 0.561 1.00 1.78 H new ATOM 0 HB3 LEU A 544 7.462 -6.089 1.571 1.00 1.78 H new ATOM 0 HG LEU A 544 8.986 -4.202 -0.228 1.00 1.40 H new ATOM 0 HD11 LEU A 544 6.914 -4.276 -1.637 1.00 1.56 H new ATOM 0 HD12 LEU A 544 7.675 -5.880 -1.505 1.00 1.56 H new ATOM 0 HD13 LEU A 544 6.230 -5.498 -0.538 1.00 1.56 H new ATOM 0 HD21 LEU A 544 7.086 -2.658 0.158 1.00 2.41 H new ATOM 0 HD22 LEU A 544 6.388 -3.824 1.308 1.00 2.41 H new ATOM 0 HD23 LEU A 544 7.946 -3.043 1.668 1.00 2.41 H new ATOM 178 N PHE A 545 10.276 -3.176 2.949 1.00 1.29 N ATOM 179 CA PHE A 545 11.199 -2.035 2.996 1.00 1.24 C ATOM 180 C PHE A 545 12.106 -2.048 4.245 1.00 1.35 C ATOM 181 O PHE A 545 12.765 -1.051 4.528 1.00 1.33 O ATOM 182 CB PHE A 545 10.424 -0.711 2.952 1.00 1.21 C ATOM 183 CG PHE A 545 9.438 -0.487 1.822 1.00 1.15 C ATOM 184 CD1 PHE A 545 9.863 -0.323 0.488 1.00 1.85 C ATOM 185 CD2 PHE A 545 8.082 -0.320 2.137 1.00 2.29 C ATOM 186 CE1 PHE A 545 8.937 0.055 -0.505 1.00 1.76 C ATOM 187 CE2 PHE A 545 7.158 0.061 1.153 1.00 2.37 C ATOM 188 CZ PHE A 545 7.591 0.290 -0.158 1.00 1.15 C ATOM 0 H PHE A 545 9.544 -3.111 3.656 1.00 1.29 H new ATOM 0 HA PHE A 545 11.839 -2.125 2.118 1.00 1.24 H new ATOM 0 HB2 PHE A 545 9.879 -0.614 3.891 1.00 1.21 H new ATOM 0 HB3 PHE A 545 11.153 0.099 2.921 1.00 1.21 H new ATOM 0 HD1 PHE A 545 10.898 -0.487 0.227 1.00 1.85 H new ATOM 0 HD2 PHE A 545 7.745 -0.487 3.149 1.00 2.29 H new ATOM 0 HE1 PHE A 545 9.258 0.164 -1.530 1.00 1.76 H new ATOM 0 HE2 PHE A 545 6.115 0.177 1.406 1.00 2.37 H new ATOM 0 HZ PHE A 545 6.895 0.646 -0.903 1.00 1.15 H new ATOM 198 N ALA A 546 12.161 -3.153 4.998 1.00 1.50 N ATOM 199 CA ALA A 546 12.925 -3.312 6.249 1.00 1.70 C ATOM 200 C ALA A 546 14.382 -2.849 6.162 1.00 1.56 C ATOM 201 O ALA A 546 15.000 -2.399 7.131 1.00 1.71 O ATOM 202 CB ALA A 546 12.948 -4.809 6.527 1.00 1.94 C ATOM 0 H ALA A 546 11.653 -4.000 4.744 1.00 1.50 H new ATOM 0 HA ALA A 546 12.448 -2.703 7.017 1.00 1.70 H new ATOM 0 HB1 ALA A 546 13.502 -5.000 7.446 1.00 1.94 H new ATOM 0 HB2 ALA A 546 11.927 -5.175 6.636 1.00 1.94 H new ATOM 0 HB3 ALA A 546 13.432 -5.326 5.698 1.00 1.94 H new ATOM 208 N ASN A 547 14.935 -3.019 4.974 1.00 1.36 N ATOM 209 CA ASN A 547 16.334 -2.903 4.632 1.00 1.33 C ATOM 210 C ASN A 547 16.548 -1.855 3.521 1.00 1.12 C ATOM 211 O ASN A 547 17.641 -1.746 2.965 1.00 1.15 O ATOM 212 CB ASN A 547 16.755 -4.337 4.281 1.00 1.57 C ATOM 213 CG ASN A 547 17.492 -4.995 5.418 1.00 2.11 C ATOM 214 OD1 ASN A 547 18.646 -4.700 5.695 1.00 2.75 O ATOM 215 ND2 ASN A 547 16.827 -5.841 6.160 1.00 2.46 N ATOM 0 H ASN A 547 14.368 -3.261 4.161 1.00 1.36 H new ATOM 0 HA ASN A 547 16.962 -2.524 5.438 1.00 1.33 H new ATOM 0 HB2 ASN A 547 15.872 -4.925 4.031 1.00 1.57 H new ATOM 0 HB3 ASN A 547 17.390 -4.323 3.395 1.00 1.57 H new ATOM 0 HD21 ASN A 547 17.270 -6.261 6.977 1.00 2.46 H new ATOM 0 HD22 ASN A 547 15.865 -6.082 5.922 1.00 2.46 H new ATOM 222 N ALA A 548 15.498 -1.089 3.208 1.00 1.01 N ATOM 223 CA ALA A 548 15.486 -0.056 2.172 1.00 0.90 C ATOM 224 C ALA A 548 16.492 1.088 2.424 1.00 0.94 C ATOM 225 O ALA A 548 16.716 1.505 3.564 1.00 1.06 O ATOM 226 CB ALA A 548 14.057 0.487 2.037 1.00 0.93 C ATOM 0 H ALA A 548 14.602 -1.176 3.687 1.00 1.01 H new ATOM 0 HA ALA A 548 15.809 -0.519 1.239 1.00 0.90 H new ATOM 0 HB1 ALA A 548 14.032 1.259 1.268 1.00 0.93 H new ATOM 0 HB2 ALA A 548 13.384 -0.324 1.759 1.00 0.93 H new ATOM 0 HB3 ALA A 548 13.738 0.913 2.988 1.00 0.93 H new ATOM 232 N ASP A 549 17.043 1.658 1.351 1.00 0.92 N ATOM 233 CA ASP A 549 17.789 2.921 1.380 1.00 1.04 C ATOM 234 C ASP A 549 16.815 4.127 1.368 1.00 0.97 C ATOM 235 O ASP A 549 15.845 4.116 0.599 1.00 0.86 O ATOM 236 CB ASP A 549 18.786 2.943 0.207 1.00 1.13 C ATOM 237 CG ASP A 549 19.666 4.195 0.163 1.00 1.37 C ATOM 238 OD1 ASP A 549 19.134 5.307 -0.023 1.00 2.22 O ATOM 239 OD2 ASP A 549 20.906 4.070 0.298 1.00 1.98 O ATOM 0 H ASP A 549 16.983 1.248 0.419 1.00 0.92 H new ATOM 0 HA ASP A 549 18.362 3.001 2.304 1.00 1.04 H new ATOM 0 HB2 ASP A 549 19.426 2.063 0.271 1.00 1.13 H new ATOM 0 HB3 ASP A 549 18.232 2.867 -0.729 1.00 1.13 H new ATOM 244 N PRO A 550 17.046 5.176 2.184 1.00 1.08 N ATOM 245 CA PRO A 550 16.157 6.337 2.283 1.00 1.05 C ATOM 246 C PRO A 550 16.015 7.130 0.970 1.00 0.92 C ATOM 247 O PRO A 550 14.970 7.735 0.737 1.00 0.99 O ATOM 248 CB PRO A 550 16.740 7.203 3.406 1.00 1.24 C ATOM 249 CG PRO A 550 18.213 6.813 3.436 1.00 1.35 C ATOM 250 CD PRO A 550 18.163 5.328 3.104 1.00 1.31 C ATOM 0 HA PRO A 550 15.139 6.010 2.496 1.00 1.05 H new ATOM 0 HB2 PRO A 550 16.611 8.266 3.200 1.00 1.24 H new ATOM 0 HB3 PRO A 550 16.253 7.002 4.360 1.00 1.24 H new ATOM 0 HG2 PRO A 550 18.797 7.373 2.706 1.00 1.35 H new ATOM 0 HG3 PRO A 550 18.662 6.996 4.412 1.00 1.35 H new ATOM 0 HD2 PRO A 550 19.096 4.996 2.648 1.00 1.31 H new ATOM 0 HD3 PRO A 550 18.016 4.729 4.003 1.00 1.31 H new ATOM 258 N ASN A 551 17.001 7.109 0.070 1.00 0.90 N ATOM 259 CA ASN A 551 16.937 7.786 -1.231 1.00 0.83 C ATOM 260 C ASN A 551 16.064 6.998 -2.218 1.00 0.71 C ATOM 261 O ASN A 551 15.252 7.592 -2.925 1.00 0.67 O ATOM 262 CB ASN A 551 18.358 7.957 -1.800 1.00 0.94 C ATOM 263 CG ASN A 551 19.297 8.693 -0.867 1.00 1.11 C ATOM 264 OD1 ASN A 551 19.480 9.899 -0.967 1.00 1.51 O ATOM 265 ND2 ASN A 551 19.909 7.999 0.059 1.00 1.88 N ATOM 0 H ASN A 551 17.880 6.615 0.225 1.00 0.90 H new ATOM 0 HA ASN A 551 16.485 8.767 -1.088 1.00 0.83 H new ATOM 0 HB2 ASN A 551 18.774 6.974 -2.020 1.00 0.94 H new ATOM 0 HB3 ASN A 551 18.300 8.497 -2.745 1.00 0.94 H new ATOM 0 HD21 ASN A 551 20.546 8.463 0.707 1.00 1.88 H new ATOM 0 HD22 ASN A 551 19.749 6.994 0.133 1.00 1.88 H new ATOM 272 N PHE A 552 16.187 5.666 -2.204 1.00 0.71 N ATOM 273 CA PHE A 552 15.387 4.723 -2.998 1.00 0.65 C ATOM 274 C PHE A 552 13.898 4.835 -2.649 1.00 0.57 C ATOM 275 O PHE A 552 13.058 5.077 -3.516 1.00 0.55 O ATOM 276 CB PHE A 552 15.926 3.301 -2.740 1.00 0.73 C ATOM 277 CG PHE A 552 14.922 2.169 -2.853 1.00 0.86 C ATOM 278 CD1 PHE A 552 14.444 1.758 -4.108 1.00 1.53 C ATOM 279 CD2 PHE A 552 14.441 1.544 -1.688 1.00 2.43 C ATOM 280 CE1 PHE A 552 13.460 0.757 -4.192 1.00 1.52 C ATOM 281 CE2 PHE A 552 13.490 0.513 -1.773 1.00 2.59 C ATOM 282 CZ PHE A 552 12.994 0.122 -3.027 1.00 1.21 C ATOM 0 H PHE A 552 16.874 5.195 -1.616 1.00 0.71 H new ATOM 0 HA PHE A 552 15.475 4.958 -4.059 1.00 0.65 H new ATOM 0 HB2 PHE A 552 16.737 3.110 -3.443 1.00 0.73 H new ATOM 0 HB3 PHE A 552 16.359 3.276 -1.740 1.00 0.73 H new ATOM 0 HD1 PHE A 552 14.832 2.211 -5.008 1.00 1.53 H new ATOM 0 HD2 PHE A 552 14.805 1.859 -0.721 1.00 2.43 H new ATOM 0 HE1 PHE A 552 13.061 0.475 -5.155 1.00 1.52 H new ATOM 0 HE2 PHE A 552 13.142 0.023 -0.876 1.00 2.59 H new ATOM 0 HZ PHE A 552 12.257 -0.664 -3.097 1.00 1.21 H new ATOM 292 N VAL A 553 13.579 4.723 -1.359 1.00 0.59 N ATOM 293 CA VAL A 553 12.197 4.751 -0.859 1.00 0.63 C ATOM 294 C VAL A 553 11.527 6.118 -1.060 1.00 0.67 C ATOM 295 O VAL A 553 10.316 6.205 -1.232 1.00 0.71 O ATOM 296 CB VAL A 553 12.200 4.292 0.606 1.00 0.81 C ATOM 297 CG1 VAL A 553 12.767 5.330 1.566 1.00 1.99 C ATOM 298 CG2 VAL A 553 10.818 3.912 1.101 1.00 2.59 C ATOM 0 H VAL A 553 14.276 4.609 -0.623 1.00 0.59 H new ATOM 0 HA VAL A 553 11.587 4.061 -1.442 1.00 0.63 H new ATOM 0 HB VAL A 553 12.849 3.416 0.603 1.00 0.81 H new ATOM 0 HG11 VAL A 553 12.738 4.939 2.583 1.00 1.99 H new ATOM 0 HG12 VAL A 553 13.798 5.554 1.292 1.00 1.99 H new ATOM 0 HG13 VAL A 553 12.171 6.241 1.511 1.00 1.99 H new ATOM 0 HG21 VAL A 553 10.879 3.595 2.142 1.00 2.59 H new ATOM 0 HG22 VAL A 553 10.154 4.773 1.022 1.00 2.59 H new ATOM 0 HG23 VAL A 553 10.427 3.095 0.495 1.00 2.59 H new ATOM 308 N THR A 554 12.331 7.184 -1.103 1.00 0.68 N ATOM 309 CA THR A 554 11.891 8.562 -1.366 1.00 0.75 C ATOM 310 C THR A 554 11.691 8.854 -2.854 1.00 0.71 C ATOM 311 O THR A 554 10.673 9.430 -3.235 1.00 0.80 O ATOM 312 CB THR A 554 12.891 9.558 -0.767 1.00 0.85 C ATOM 313 OG1 THR A 554 12.975 9.394 0.631 1.00 0.93 O ATOM 314 CG2 THR A 554 12.478 10.988 -1.044 1.00 0.95 C ATOM 0 H THR A 554 13.337 7.112 -0.951 1.00 0.68 H new ATOM 0 HA THR A 554 10.918 8.677 -0.888 1.00 0.75 H new ATOM 0 HB THR A 554 13.856 9.359 -1.233 1.00 0.85 H new ATOM 0 HG1 THR A 554 13.845 9.007 0.863 1.00 0.93 H new ATOM 0 HG21 THR A 554 13.208 11.669 -0.606 1.00 0.95 H new ATOM 0 HG22 THR A 554 12.430 11.151 -2.121 1.00 0.95 H new ATOM 0 HG23 THR A 554 11.498 11.175 -0.605 1.00 0.95 H new ATOM 322 N ALA A 555 12.606 8.414 -3.723 1.00 0.63 N ATOM 323 CA ALA A 555 12.497 8.629 -5.171 1.00 0.64 C ATOM 324 C ALA A 555 11.242 7.952 -5.774 1.00 0.65 C ATOM 325 O ALA A 555 10.776 8.324 -6.850 1.00 0.74 O ATOM 326 CB ALA A 555 13.799 8.164 -5.834 1.00 0.67 C ATOM 0 H ALA A 555 13.442 7.900 -3.444 1.00 0.63 H new ATOM 0 HA ALA A 555 12.362 9.692 -5.368 1.00 0.64 H new ATOM 0 HB1 ALA A 555 13.734 8.317 -6.911 1.00 0.67 H new ATOM 0 HB2 ALA A 555 14.635 8.738 -5.436 1.00 0.67 H new ATOM 0 HB3 ALA A 555 13.955 7.105 -5.627 1.00 0.67 H new ATOM 332 N MET A 556 10.666 6.992 -5.047 1.00 0.63 N ATOM 333 CA MET A 556 9.387 6.318 -5.303 1.00 0.73 C ATOM 334 C MET A 556 8.149 7.240 -5.259 1.00 0.73 C ATOM 335 O MET A 556 7.124 6.936 -5.870 1.00 0.88 O ATOM 336 CB MET A 556 9.265 5.258 -4.195 1.00 0.85 C ATOM 337 CG MET A 556 8.613 3.942 -4.618 1.00 0.98 C ATOM 338 SD MET A 556 8.687 2.701 -3.304 1.00 1.15 S ATOM 339 CE MET A 556 10.452 2.272 -3.366 1.00 0.98 C ATOM 0 H MET A 556 11.113 6.638 -4.201 1.00 0.63 H new ATOM 0 HA MET A 556 9.398 5.915 -6.316 1.00 0.73 H new ATOM 0 HB2 MET A 556 10.262 5.043 -3.810 1.00 0.85 H new ATOM 0 HB3 MET A 556 8.689 5.681 -3.372 1.00 0.85 H new ATOM 0 HG2 MET A 556 7.573 4.123 -4.889 1.00 0.98 H new ATOM 0 HG3 MET A 556 9.112 3.559 -5.508 1.00 0.98 H new ATOM 0 HE1 MET A 556 10.827 2.128 -2.353 1.00 0.98 H new ATOM 0 HE2 MET A 556 10.583 1.352 -3.936 1.00 0.98 H new ATOM 0 HE3 MET A 556 11.006 3.079 -3.847 1.00 0.98 H new ATOM 349 N LEU A 557 8.215 8.342 -4.503 1.00 0.68 N ATOM 350 CA LEU A 557 7.077 9.198 -4.117 1.00 0.76 C ATOM 351 C LEU A 557 6.831 10.388 -5.069 1.00 0.76 C ATOM 352 O LEU A 557 5.854 11.126 -4.918 1.00 0.76 O ATOM 353 CB LEU A 557 7.337 9.709 -2.681 1.00 0.84 C ATOM 354 CG LEU A 557 7.794 8.651 -1.656 1.00 0.87 C ATOM 355 CD1 LEU A 557 8.064 9.289 -0.301 1.00 0.99 C ATOM 356 CD2 LEU A 557 6.756 7.542 -1.479 1.00 0.94 C ATOM 0 H LEU A 557 9.100 8.680 -4.125 1.00 0.68 H new ATOM 0 HA LEU A 557 6.172 8.593 -4.175 1.00 0.76 H new ATOM 0 HB2 LEU A 557 8.095 10.491 -2.727 1.00 0.84 H new ATOM 0 HB3 LEU A 557 6.422 10.172 -2.311 1.00 0.84 H new ATOM 0 HG LEU A 557 8.712 8.214 -2.049 1.00 0.87 H new ATOM 0 HD11 LEU A 557 8.385 8.523 0.405 1.00 0.99 H new ATOM 0 HD12 LEU A 557 8.847 10.040 -0.402 1.00 0.99 H new ATOM 0 HD13 LEU A 557 7.153 9.762 0.066 1.00 0.99 H new ATOM 0 HD21 LEU A 557 7.118 6.818 -0.749 1.00 0.94 H new ATOM 0 HD22 LEU A 557 5.819 7.974 -1.128 1.00 0.94 H new ATOM 0 HD23 LEU A 557 6.591 7.043 -2.434 1.00 0.94 H new ATOM 368 N THR A 558 7.739 10.617 -6.017 1.00 0.78 N ATOM 369 CA THR A 558 7.928 11.933 -6.659 1.00 0.83 C ATOM 370 C THR A 558 6.806 12.419 -7.590 1.00 0.81 C ATOM 371 O THR A 558 6.753 13.616 -7.869 1.00 1.12 O ATOM 372 CB THR A 558 9.288 12.019 -7.369 1.00 1.02 C ATOM 373 OG1 THR A 558 9.407 11.085 -8.420 1.00 1.55 O ATOM 374 CG2 THR A 558 10.435 11.763 -6.394 1.00 1.87 C ATOM 0 H THR A 558 8.371 9.897 -6.368 1.00 0.78 H new ATOM 0 HA THR A 558 7.892 12.624 -5.817 1.00 0.83 H new ATOM 0 HB THR A 558 9.345 13.029 -7.775 1.00 1.02 H new ATOM 0 HG1 THR A 558 10.286 11.178 -8.842 1.00 1.55 H new ATOM 0 HG21 THR A 558 11.385 11.830 -6.924 1.00 1.87 H new ATOM 0 HG22 THR A 558 10.410 12.508 -5.599 1.00 1.87 H new ATOM 0 HG23 THR A 558 10.330 10.768 -5.962 1.00 1.87 H new ATOM 382 N LYS A 559 5.893 11.550 -8.050 1.00 0.75 N ATOM 383 CA LYS A 559 4.664 11.935 -8.796 1.00 1.06 C ATOM 384 C LYS A 559 3.349 11.436 -8.183 1.00 1.17 C ATOM 385 O LYS A 559 2.321 11.402 -8.859 1.00 1.55 O ATOM 386 CB LYS A 559 4.827 11.627 -10.298 1.00 1.44 C ATOM 387 CG LYS A 559 5.000 10.150 -10.697 1.00 1.71 C ATOM 388 CD LYS A 559 3.712 9.343 -10.940 1.00 2.16 C ATOM 389 CE LYS A 559 3.167 8.572 -9.724 1.00 1.80 C ATOM 390 NZ LYS A 559 2.129 7.594 -10.127 1.00 2.54 N ATOM 0 H LYS A 559 5.980 10.542 -7.917 1.00 0.75 H new ATOM 0 HA LYS A 559 4.561 13.015 -8.695 1.00 1.06 H new ATOM 0 HB2 LYS A 559 3.954 12.018 -10.820 1.00 1.44 H new ATOM 0 HB3 LYS A 559 5.692 12.180 -10.665 1.00 1.44 H new ATOM 0 HG2 LYS A 559 5.602 10.111 -11.605 1.00 1.71 H new ATOM 0 HG3 LYS A 559 5.571 9.651 -9.914 1.00 1.71 H new ATOM 0 HD2 LYS A 559 2.938 10.026 -11.290 1.00 2.16 H new ATOM 0 HD3 LYS A 559 3.897 8.631 -11.745 1.00 2.16 H new ATOM 0 HE2 LYS A 559 3.984 8.053 -9.224 1.00 1.80 H new ATOM 0 HE3 LYS A 559 2.748 9.274 -9.004 1.00 1.80 H new ATOM 0 HZ1 LYS A 559 1.270 7.746 -9.560 1.00 2.54 H new ATOM 0 HZ2 LYS A 559 1.905 7.721 -11.135 1.00 2.54 H new ATOM 0 HZ3 LYS A 559 2.482 6.628 -9.969 1.00 2.54 H new ATOM 404 N LEU A 560 3.392 10.996 -6.928 1.00 0.95 N ATOM 405 CA LEU A 560 2.411 10.171 -6.215 1.00 0.97 C ATOM 406 C LEU A 560 0.963 10.691 -6.256 1.00 1.02 C ATOM 407 O LEU A 560 0.705 11.894 -6.368 1.00 1.24 O ATOM 408 CB LEU A 560 2.952 10.025 -4.788 1.00 1.11 C ATOM 409 CG LEU A 560 2.196 9.133 -3.798 1.00 1.15 C ATOM 410 CD1 LEU A 560 1.975 7.734 -4.360 1.00 2.17 C ATOM 411 CD2 LEU A 560 3.093 8.953 -2.579 1.00 1.39 C ATOM 0 H LEU A 560 4.184 11.227 -6.328 1.00 0.95 H new ATOM 0 HA LEU A 560 2.314 9.207 -6.715 1.00 0.97 H new ATOM 0 HB2 LEU A 560 3.972 9.648 -4.859 1.00 1.11 H new ATOM 0 HB3 LEU A 560 3.011 11.023 -4.354 1.00 1.11 H new ATOM 0 HG LEU A 560 1.235 9.598 -3.577 1.00 1.15 H new ATOM 0 HD11 LEU A 560 1.436 7.130 -3.630 1.00 2.17 H new ATOM 0 HD12 LEU A 560 1.392 7.799 -5.279 1.00 2.17 H new ATOM 0 HD13 LEU A 560 2.939 7.271 -4.573 1.00 2.17 H new ATOM 0 HD21 LEU A 560 2.590 8.321 -1.847 1.00 1.39 H new ATOM 0 HD22 LEU A 560 4.028 8.483 -2.882 1.00 1.39 H new ATOM 0 HD23 LEU A 560 3.303 9.926 -2.135 1.00 1.39 H new ATOM 423 N LYS A 561 0.021 9.744 -6.166 1.00 0.96 N ATOM 424 CA LYS A 561 -1.425 9.940 -6.268 1.00 1.15 C ATOM 425 C LYS A 561 -2.169 9.664 -4.959 1.00 1.13 C ATOM 426 O LYS A 561 -1.797 8.784 -4.174 1.00 0.93 O ATOM 427 CB LYS A 561 -1.966 9.079 -7.426 1.00 1.39 C ATOM 428 CG LYS A 561 -3.066 9.795 -8.216 1.00 1.48 C ATOM 429 CD LYS A 561 -2.532 10.655 -9.373 1.00 1.71 C ATOM 430 CE LYS A 561 -1.493 11.715 -8.967 1.00 1.68 C ATOM 431 NZ LYS A 561 -1.341 12.728 -10.029 1.00 2.01 N ATOM 0 H LYS A 561 0.265 8.766 -6.011 1.00 0.96 H new ATOM 0 HA LYS A 561 -1.608 10.994 -6.477 1.00 1.15 H new ATOM 0 HB2 LYS A 561 -1.147 8.822 -8.098 1.00 1.39 H new ATOM 0 HB3 LYS A 561 -2.358 8.143 -7.028 1.00 1.39 H new ATOM 0 HG2 LYS A 561 -3.757 9.053 -8.615 1.00 1.48 H new ATOM 0 HG3 LYS A 561 -3.636 10.428 -7.536 1.00 1.48 H new ATOM 0 HD2 LYS A 561 -2.086 9.997 -10.119 1.00 1.71 H new ATOM 0 HD3 LYS A 561 -3.373 11.156 -9.852 1.00 1.71 H new ATOM 0 HE2 LYS A 561 -1.801 12.197 -8.039 1.00 1.68 H new ATOM 0 HE3 LYS A 561 -0.533 11.236 -8.774 1.00 1.68 H new ATOM 0 HZ1 LYS A 561 -0.636 13.434 -9.737 1.00 2.01 H new ATOM 0 HZ2 LYS A 561 -1.026 12.267 -10.906 1.00 2.01 H new ATOM 0 HZ3 LYS A 561 -2.254 13.198 -10.194 1.00 2.01 H new ATOM 445 N PHE A 562 -3.226 10.436 -4.746 1.00 1.43 N ATOM 446 CA PHE A 562 -3.919 10.611 -3.475 1.00 1.31 C ATOM 447 C PHE A 562 -5.445 10.518 -3.668 1.00 1.20 C ATOM 448 O PHE A 562 -5.974 10.968 -4.687 1.00 1.32 O ATOM 449 CB PHE A 562 -3.435 11.970 -2.936 1.00 1.79 C ATOM 450 CG PHE A 562 -4.391 12.716 -2.039 1.00 1.32 C ATOM 451 CD1 PHE A 562 -4.850 12.128 -0.851 1.00 1.68 C ATOM 452 CD2 PHE A 562 -4.839 13.996 -2.409 1.00 2.32 C ATOM 453 CE1 PHE A 562 -5.779 12.802 -0.050 1.00 1.95 C ATOM 454 CE2 PHE A 562 -5.734 14.693 -1.580 1.00 2.14 C ATOM 455 CZ PHE A 562 -6.211 14.093 -0.402 1.00 1.40 C ATOM 0 H PHE A 562 -3.646 10.987 -5.495 1.00 1.43 H new ATOM 0 HA PHE A 562 -3.695 9.827 -2.752 1.00 1.31 H new ATOM 0 HB2 PHE A 562 -2.507 11.809 -2.387 1.00 1.79 H new ATOM 0 HB3 PHE A 562 -3.196 12.609 -3.786 1.00 1.79 H new ATOM 0 HD1 PHE A 562 -4.487 11.155 -0.554 1.00 1.68 H new ATOM 0 HD2 PHE A 562 -4.495 14.443 -3.330 1.00 2.32 H new ATOM 0 HE1 PHE A 562 -6.165 12.329 0.841 1.00 1.95 H new ATOM 0 HE2 PHE A 562 -6.055 15.689 -1.848 1.00 2.14 H new ATOM 0 HZ PHE A 562 -6.908 14.622 0.231 1.00 1.40 H new ATOM 465 N GLU A 563 -6.157 9.905 -2.717 1.00 1.04 N ATOM 466 CA GLU A 563 -7.626 9.784 -2.727 1.00 0.94 C ATOM 467 C GLU A 563 -8.228 9.797 -1.307 1.00 0.82 C ATOM 468 O GLU A 563 -7.585 9.396 -0.343 1.00 0.87 O ATOM 469 CB GLU A 563 -8.006 8.499 -3.484 1.00 0.99 C ATOM 470 CG GLU A 563 -9.505 8.365 -3.779 1.00 1.67 C ATOM 471 CD GLU A 563 -9.774 7.349 -4.891 1.00 1.98 C ATOM 472 OE1 GLU A 563 -9.865 6.125 -4.619 1.00 2.63 O ATOM 473 OE2 GLU A 563 -9.958 7.769 -6.060 1.00 2.79 O ATOM 0 H GLU A 563 -5.725 9.470 -1.902 1.00 1.04 H new ATOM 0 HA GLU A 563 -8.045 10.652 -3.235 1.00 0.94 H new ATOM 0 HB2 GLU A 563 -7.457 8.469 -4.425 1.00 0.99 H new ATOM 0 HB3 GLU A 563 -7.683 7.637 -2.900 1.00 0.99 H new ATOM 0 HG2 GLU A 563 -10.028 8.060 -2.873 1.00 1.67 H new ATOM 0 HG3 GLU A 563 -9.907 9.336 -4.068 1.00 1.67 H new ATOM 480 N VAL A 564 -9.478 10.234 -1.160 1.00 0.73 N ATOM 481 CA VAL A 564 -10.205 10.322 0.119 1.00 0.65 C ATOM 482 C VAL A 564 -11.494 9.507 0.080 1.00 0.61 C ATOM 483 O VAL A 564 -12.157 9.403 -0.954 1.00 0.64 O ATOM 484 CB VAL A 564 -10.508 11.790 0.474 1.00 0.71 C ATOM 485 CG1 VAL A 564 -11.220 11.979 1.813 1.00 0.79 C ATOM 486 CG2 VAL A 564 -9.217 12.612 0.508 1.00 0.75 C ATOM 0 H VAL A 564 -10.038 10.549 -1.952 1.00 0.73 H new ATOM 0 HA VAL A 564 -9.564 9.902 0.894 1.00 0.65 H new ATOM 0 HB VAL A 564 -11.182 12.133 -0.310 1.00 0.71 H new ATOM 0 HG11 VAL A 564 -11.395 13.041 1.985 1.00 0.79 H new ATOM 0 HG12 VAL A 564 -12.174 11.452 1.795 1.00 0.79 H new ATOM 0 HG13 VAL A 564 -10.599 11.579 2.615 1.00 0.79 H new ATOM 0 HG21 VAL A 564 -9.451 13.646 0.760 1.00 0.75 H new ATOM 0 HG22 VAL A 564 -8.542 12.199 1.258 1.00 0.75 H new ATOM 0 HG23 VAL A 564 -8.737 12.577 -0.470 1.00 0.75 H new ATOM 496 N PHE A 565 -11.874 8.969 1.238 1.00 0.60 N ATOM 497 CA PHE A 565 -13.191 8.386 1.492 1.00 0.65 C ATOM 498 C PHE A 565 -13.817 8.980 2.760 1.00 0.70 C ATOM 499 O PHE A 565 -13.131 9.250 3.747 1.00 0.68 O ATOM 500 CB PHE A 565 -13.094 6.857 1.566 1.00 0.66 C ATOM 501 CG PHE A 565 -12.719 6.200 0.250 1.00 0.70 C ATOM 502 CD1 PHE A 565 -11.376 6.174 -0.167 1.00 1.70 C ATOM 503 CD2 PHE A 565 -13.711 5.618 -0.566 1.00 2.26 C ATOM 504 CE1 PHE A 565 -11.025 5.573 -1.387 1.00 1.60 C ATOM 505 CE2 PHE A 565 -13.351 4.993 -1.775 1.00 2.43 C ATOM 506 CZ PHE A 565 -12.007 4.955 -2.175 1.00 0.99 C ATOM 0 H PHE A 565 -11.257 8.925 2.049 1.00 0.60 H new ATOM 0 HA PHE A 565 -13.850 8.636 0.660 1.00 0.65 H new ATOM 0 HB2 PHE A 565 -12.355 6.586 2.320 1.00 0.66 H new ATOM 0 HB3 PHE A 565 -14.052 6.458 1.900 1.00 0.66 H new ATOM 0 HD1 PHE A 565 -10.612 6.618 0.453 1.00 1.70 H new ATOM 0 HD2 PHE A 565 -14.747 5.652 -0.263 1.00 2.26 H new ATOM 0 HE1 PHE A 565 -9.997 5.587 -1.719 1.00 1.60 H new ATOM 0 HE2 PHE A 565 -14.111 4.542 -2.396 1.00 2.43 H new ATOM 0 HZ PHE A 565 -11.729 4.451 -3.089 1.00 0.99 H new ATOM 516 N GLN A 566 -15.130 9.186 2.723 1.00 0.82 N ATOM 517 CA GLN A 566 -15.943 9.684 3.831 1.00 0.87 C ATOM 518 C GLN A 566 -16.391 8.530 4.763 1.00 0.90 C ATOM 519 O GLN A 566 -16.422 7.373 4.335 1.00 0.87 O ATOM 520 CB GLN A 566 -17.150 10.452 3.248 1.00 0.97 C ATOM 521 CG GLN A 566 -16.867 11.597 2.271 1.00 1.17 C ATOM 522 CD GLN A 566 -15.661 12.416 2.666 1.00 1.55 C ATOM 523 OE1 GLN A 566 -15.529 12.897 3.785 1.00 3.19 O ATOM 524 NE2 GLN A 566 -14.705 12.550 1.788 1.00 1.08 N ATOM 0 H GLN A 566 -15.681 9.003 1.885 1.00 0.82 H new ATOM 0 HA GLN A 566 -15.351 10.362 4.446 1.00 0.87 H new ATOM 0 HB2 GLN A 566 -17.792 9.731 2.741 1.00 0.97 H new ATOM 0 HB3 GLN A 566 -17.723 10.858 4.082 1.00 0.97 H new ATOM 0 HG2 GLN A 566 -16.712 11.187 1.273 1.00 1.17 H new ATOM 0 HG3 GLN A 566 -17.740 12.247 2.217 1.00 1.17 H new ATOM 0 HE21 GLN A 566 -14.810 12.151 0.855 1.00 1.08 H new ATOM 0 HE22 GLN A 566 -13.853 13.053 2.035 1.00 1.08 H new ATOM 533 N PRO A 567 -16.779 8.806 6.026 1.00 1.02 N ATOM 534 CA PRO A 567 -17.227 7.782 6.974 1.00 1.04 C ATOM 535 C PRO A 567 -18.342 6.880 6.425 1.00 1.08 C ATOM 536 O PRO A 567 -19.318 7.364 5.844 1.00 1.19 O ATOM 537 CB PRO A 567 -17.750 8.547 8.193 1.00 1.14 C ATOM 538 CG PRO A 567 -17.067 9.904 8.133 1.00 1.19 C ATOM 539 CD PRO A 567 -16.812 10.122 6.646 1.00 1.18 C ATOM 0 HA PRO A 567 -16.395 7.115 7.201 1.00 1.04 H new ATOM 0 HB2 PRO A 567 -18.835 8.650 8.158 1.00 1.14 H new ATOM 0 HB3 PRO A 567 -17.509 8.025 9.119 1.00 1.14 H new ATOM 0 HG2 PRO A 567 -17.700 10.688 8.549 1.00 1.19 H new ATOM 0 HG3 PRO A 567 -16.138 9.909 8.702 1.00 1.19 H new ATOM 0 HD2 PRO A 567 -17.597 10.737 6.206 1.00 1.18 H new ATOM 0 HD3 PRO A 567 -15.870 10.647 6.489 1.00 1.18 H new ATOM 547 N GLY A 568 -18.235 5.566 6.634 1.00 1.06 N ATOM 548 CA GLY A 568 -19.254 4.586 6.254 1.00 1.16 C ATOM 549 C GLY A 568 -19.190 4.200 4.783 1.00 1.26 C ATOM 550 O GLY A 568 -19.968 3.357 4.343 1.00 1.50 O ATOM 0 H GLY A 568 -17.421 5.145 7.081 1.00 1.06 H new ATOM 0 HA2 GLY A 568 -19.134 3.691 6.864 1.00 1.16 H new ATOM 0 HA3 GLY A 568 -20.241 4.993 6.474 1.00 1.16 H new ATOM 554 N ASP A 569 -18.262 4.790 4.021 1.00 1.19 N ATOM 555 CA ASP A 569 -18.123 4.488 2.614 1.00 1.25 C ATOM 556 C ASP A 569 -17.282 3.225 2.392 1.00 1.15 C ATOM 557 O ASP A 569 -16.172 3.079 2.914 1.00 0.96 O ATOM 558 CB ASP A 569 -17.609 5.710 1.837 1.00 1.22 C ATOM 559 CG ASP A 569 -17.892 5.632 0.335 1.00 1.30 C ATOM 560 OD1 ASP A 569 -18.529 4.664 -0.145 1.00 1.49 O ATOM 561 OD2 ASP A 569 -17.496 6.563 -0.402 1.00 2.22 O ATOM 0 H ASP A 569 -17.598 5.482 4.369 1.00 1.19 H new ATOM 0 HA ASP A 569 -19.109 4.262 2.209 1.00 1.25 H new ATOM 0 HB2 ASP A 569 -18.072 6.610 2.241 1.00 1.22 H new ATOM 0 HB3 ASP A 569 -16.535 5.806 1.993 1.00 1.22 H new ATOM 566 N TYR A 570 -17.813 2.306 1.592 1.00 1.38 N ATOM 567 CA TYR A 570 -17.110 1.102 1.162 1.00 1.45 C ATOM 568 C TYR A 570 -15.988 1.494 0.200 1.00 1.41 C ATOM 569 O TYR A 570 -16.237 1.925 -0.928 1.00 1.47 O ATOM 570 CB TYR A 570 -18.103 0.111 0.542 1.00 1.79 C ATOM 571 CG TYR A 570 -18.958 -0.594 1.579 1.00 1.92 C ATOM 572 CD1 TYR A 570 -20.137 0.000 2.073 1.00 3.31 C ATOM 573 CD2 TYR A 570 -18.534 -1.834 2.088 1.00 1.74 C ATOM 574 CE1 TYR A 570 -20.880 -0.640 3.085 1.00 3.44 C ATOM 575 CE2 TYR A 570 -19.276 -2.479 3.094 1.00 1.88 C ATOM 576 CZ TYR A 570 -20.445 -1.880 3.602 1.00 2.25 C ATOM 577 OH TYR A 570 -21.149 -2.514 4.575 1.00 2.45 O ATOM 0 H TYR A 570 -18.759 2.378 1.218 1.00 1.38 H new ATOM 0 HA TYR A 570 -16.654 0.599 2.015 1.00 1.45 H new ATOM 0 HB2 TYR A 570 -18.751 0.642 -0.156 1.00 1.79 H new ATOM 0 HB3 TYR A 570 -17.554 -0.633 -0.035 1.00 1.79 H new ATOM 0 HD1 TYR A 570 -20.471 0.947 1.675 1.00 3.31 H new ATOM 0 HD2 TYR A 570 -17.635 -2.293 1.705 1.00 1.74 H new ATOM 0 HE1 TYR A 570 -21.782 -0.182 3.465 1.00 3.44 H new ATOM 0 HE2 TYR A 570 -18.949 -3.434 3.477 1.00 1.88 H new ATOM 0 HH TYR A 570 -20.702 -3.355 4.807 1.00 2.45 H new ATOM 587 N ILE A 571 -14.741 1.371 0.651 1.00 1.35 N ATOM 588 CA ILE A 571 -13.568 1.841 -0.102 1.00 1.33 C ATOM 589 C ILE A 571 -13.092 0.828 -1.151 1.00 1.49 C ATOM 590 O ILE A 571 -12.445 1.202 -2.132 1.00 1.57 O ATOM 591 CB ILE A 571 -12.430 2.240 0.852 1.00 1.24 C ATOM 592 CG1 ILE A 571 -11.773 0.988 1.450 1.00 1.17 C ATOM 593 CG2 ILE A 571 -12.906 3.195 1.962 1.00 1.13 C ATOM 594 CD1 ILE A 571 -10.704 1.327 2.460 1.00 1.42 C ATOM 0 H ILE A 571 -14.510 0.944 1.548 1.00 1.35 H new ATOM 0 HA ILE A 571 -13.879 2.728 -0.654 1.00 1.33 H new ATOM 0 HB ILE A 571 -11.688 2.783 0.267 1.00 1.24 H new ATOM 0 HG12 ILE A 571 -12.536 0.372 1.926 1.00 1.17 H new ATOM 0 HG13 ILE A 571 -11.336 0.392 0.649 1.00 1.17 H new ATOM 0 HG21 ILE A 571 -12.066 3.447 2.610 1.00 1.13 H new ATOM 0 HG22 ILE A 571 -13.304 4.105 1.513 1.00 1.13 H new ATOM 0 HG23 ILE A 571 -13.685 2.710 2.550 1.00 1.13 H new ATOM 0 HD11 ILE A 571 -10.270 0.408 2.853 1.00 1.42 H new ATOM 0 HD12 ILE A 571 -9.925 1.919 1.980 1.00 1.42 H new ATOM 0 HD13 ILE A 571 -11.144 1.899 3.277 1.00 1.42 H new ATOM 606 N ILE A 572 -13.404 -0.453 -0.914 1.00 1.62 N ATOM 607 CA ILE A 572 -12.895 -1.595 -1.668 1.00 1.82 C ATOM 608 C ILE A 572 -13.882 -2.048 -2.742 1.00 2.07 C ATOM 609 O ILE A 572 -15.074 -2.250 -2.473 1.00 2.57 O ATOM 610 CB ILE A 572 -12.593 -2.778 -0.717 1.00 2.46 C ATOM 611 CG1 ILE A 572 -11.470 -2.497 0.274 1.00 2.80 C ATOM 612 CG2 ILE A 572 -12.303 -4.110 -1.436 1.00 2.68 C ATOM 613 CD1 ILE A 572 -10.116 -2.083 -0.288 1.00 2.30 C ATOM 0 H ILE A 572 -14.040 -0.727 -0.165 1.00 1.62 H new ATOM 0 HA ILE A 572 -11.976 -1.275 -2.159 1.00 1.82 H new ATOM 0 HB ILE A 572 -13.527 -2.886 -0.166 1.00 2.46 H new ATOM 0 HG12 ILE A 572 -11.808 -1.710 0.949 1.00 2.80 H new ATOM 0 HG13 ILE A 572 -11.323 -3.393 0.877 1.00 2.80 H new ATOM 0 HG21 ILE A 572 -12.102 -4.886 -0.697 1.00 2.68 H new ATOM 0 HG22 ILE A 572 -13.167 -4.395 -2.036 1.00 2.68 H new ATOM 0 HG23 ILE A 572 -11.435 -3.992 -2.084 1.00 2.68 H new ATOM 0 HD11 ILE A 572 -9.417 -1.917 0.532 1.00 2.30 H new ATOM 0 HD12 ILE A 572 -9.734 -2.872 -0.936 1.00 2.30 H new ATOM 0 HD13 ILE A 572 -10.226 -1.163 -0.863 1.00 2.30 H new ATOM 625 N ARG A 573 -13.319 -2.371 -3.907 1.00 1.92 N ATOM 626 CA ARG A 573 -13.790 -3.458 -4.772 1.00 2.09 C ATOM 627 C ARG A 573 -12.700 -4.515 -4.966 1.00 1.74 C ATOM 628 O ARG A 573 -11.511 -4.210 -5.032 1.00 1.60 O ATOM 629 CB ARG A 573 -14.402 -2.922 -6.076 1.00 2.62 C ATOM 630 CG ARG A 573 -13.579 -1.911 -6.886 1.00 3.76 C ATOM 631 CD ARG A 573 -12.282 -2.480 -7.485 1.00 4.87 C ATOM 632 NE ARG A 573 -11.783 -1.637 -8.578 1.00 6.56 N ATOM 633 CZ ARG A 573 -12.304 -1.523 -9.786 1.00 7.71 C ATOM 634 NH1 ARG A 573 -13.240 -2.316 -10.218 1.00 7.74 N ATOM 635 NH2 ARG A 573 -11.902 -0.569 -10.569 1.00 9.24 N ATOM 0 H ARG A 573 -12.510 -1.878 -4.284 1.00 1.92 H new ATOM 0 HA ARG A 573 -14.611 -3.974 -4.274 1.00 2.09 H new ATOM 0 HB2 ARG A 573 -14.616 -3.774 -6.721 1.00 2.62 H new ATOM 0 HB3 ARG A 573 -15.358 -2.458 -5.832 1.00 2.62 H new ATOM 0 HG2 ARG A 573 -14.198 -1.522 -7.695 1.00 3.76 H new ATOM 0 HG3 ARG A 573 -13.328 -1.067 -6.243 1.00 3.76 H new ATOM 0 HD2 ARG A 573 -11.523 -2.557 -6.707 1.00 4.87 H new ATOM 0 HD3 ARG A 573 -12.462 -3.489 -7.855 1.00 4.87 H new ATOM 0 HE ARG A 573 -10.949 -1.083 -8.385 1.00 6.56 H new ATOM 0 HH11 ARG A 573 -13.597 -3.058 -9.617 1.00 7.74 H new ATOM 0 HH12 ARG A 573 -13.617 -2.195 -11.158 1.00 7.74 H new ATOM 0 HH21 ARG A 573 -11.188 0.086 -10.250 1.00 9.24 H new ATOM 0 HH22 ARG A 573 -12.300 -0.475 -11.504 1.00 9.24 H new ATOM 649 N GLU A 574 -13.091 -5.779 -4.972 1.00 2.35 N ATOM 650 CA GLU A 574 -12.300 -6.911 -5.469 1.00 2.36 C ATOM 651 C GLU A 574 -12.725 -7.297 -6.897 1.00 2.68 C ATOM 652 O GLU A 574 -13.827 -6.929 -7.321 1.00 3.53 O ATOM 653 CB GLU A 574 -12.407 -8.036 -4.430 1.00 3.63 C ATOM 654 CG GLU A 574 -11.603 -9.303 -4.731 1.00 4.03 C ATOM 655 CD GLU A 574 -10.171 -9.048 -5.217 1.00 4.07 C ATOM 656 OE1 GLU A 574 -9.515 -8.112 -4.714 1.00 4.69 O ATOM 657 OE2 GLU A 574 -9.789 -9.716 -6.209 1.00 4.51 O ATOM 0 H GLU A 574 -14.004 -6.064 -4.618 1.00 2.35 H new ATOM 0 HA GLU A 574 -11.245 -6.658 -5.573 1.00 2.36 H new ATOM 0 HB2 GLU A 574 -12.084 -7.645 -3.465 1.00 3.63 H new ATOM 0 HB3 GLU A 574 -13.457 -8.311 -4.328 1.00 3.63 H new ATOM 0 HG2 GLU A 574 -11.564 -9.915 -3.830 1.00 4.03 H new ATOM 0 HG3 GLU A 574 -12.132 -9.882 -5.488 1.00 4.03 H new ATOM 664 N GLY A 575 -11.905 -8.056 -7.641 1.00 2.56 N ATOM 665 CA GLY A 575 -12.357 -8.642 -8.908 1.00 3.50 C ATOM 666 C GLY A 575 -11.282 -8.998 -9.934 1.00 3.29 C ATOM 667 O GLY A 575 -11.613 -9.714 -10.882 1.00 4.13 O ATOM 0 H GLY A 575 -10.941 -8.275 -7.391 1.00 2.56 H new ATOM 0 HA2 GLY A 575 -12.920 -9.547 -8.680 1.00 3.50 H new ATOM 0 HA3 GLY A 575 -13.052 -7.944 -9.375 1.00 3.50 H new ATOM 671 N THR A 576 -10.029 -8.546 -9.783 1.00 2.36 N ATOM 672 CA THR A 576 -8.988 -8.722 -10.820 1.00 2.26 C ATOM 673 C THR A 576 -7.550 -8.833 -10.302 1.00 2.02 C ATOM 674 O THR A 576 -7.223 -8.417 -9.193 1.00 2.12 O ATOM 675 CB THR A 576 -9.078 -7.614 -11.882 1.00 2.39 C ATOM 676 OG1 THR A 576 -8.346 -7.985 -13.025 1.00 2.55 O ATOM 677 CG2 THR A 576 -8.562 -6.251 -11.427 1.00 2.44 C ATOM 0 H THR A 576 -9.705 -8.053 -8.951 1.00 2.36 H new ATOM 0 HA THR A 576 -9.211 -9.694 -11.261 1.00 2.26 H new ATOM 0 HB THR A 576 -10.143 -7.508 -12.087 1.00 2.39 H new ATOM 0 HG1 THR A 576 -8.409 -7.276 -13.698 1.00 2.55 H new ATOM 0 HG21 THR A 576 -8.665 -5.533 -12.241 1.00 2.44 H new ATOM 0 HG22 THR A 576 -9.140 -5.911 -10.568 1.00 2.44 H new ATOM 0 HG23 THR A 576 -7.512 -6.334 -11.147 1.00 2.44 H new ATOM 685 N ILE A 577 -6.700 -9.406 -11.152 1.00 1.99 N ATOM 686 CA ILE A 577 -5.239 -9.468 -11.075 1.00 1.84 C ATOM 687 C ILE A 577 -4.592 -8.174 -11.597 1.00 1.80 C ATOM 688 O ILE A 577 -5.179 -7.451 -12.409 1.00 2.16 O ATOM 689 CB ILE A 577 -4.805 -10.709 -11.882 1.00 2.06 C ATOM 690 CG1 ILE A 577 -4.999 -11.929 -10.970 1.00 2.24 C ATOM 691 CG2 ILE A 577 -3.360 -10.691 -12.401 1.00 2.07 C ATOM 692 CD1 ILE A 577 -5.325 -13.200 -11.737 1.00 2.49 C ATOM 0 H ILE A 577 -7.045 -9.881 -11.986 1.00 1.99 H new ATOM 0 HA ILE A 577 -4.905 -9.557 -10.041 1.00 1.84 H new ATOM 0 HB ILE A 577 -5.421 -10.734 -12.781 1.00 2.06 H new ATOM 0 HG12 ILE A 577 -4.092 -12.087 -10.386 1.00 2.24 H new ATOM 0 HG13 ILE A 577 -5.802 -11.722 -10.263 1.00 2.24 H new ATOM 0 HG21 ILE A 577 -3.160 -11.609 -12.954 1.00 2.07 H new ATOM 0 HG22 ILE A 577 -3.221 -9.834 -13.059 1.00 2.07 H new ATOM 0 HG23 ILE A 577 -2.672 -10.618 -11.559 1.00 2.07 H new ATOM 0 HD11 ILE A 577 -5.450 -14.026 -11.037 1.00 2.49 H new ATOM 0 HD12 ILE A 577 -6.248 -13.059 -12.300 1.00 2.49 H new ATOM 0 HD13 ILE A 577 -4.511 -13.428 -12.425 1.00 2.49 H new ATOM 704 N GLY A 578 -3.353 -7.906 -11.176 1.00 1.65 N ATOM 705 CA GLY A 578 -2.602 -6.698 -11.538 1.00 1.84 C ATOM 706 C GLY A 578 -2.921 -5.545 -10.590 1.00 1.61 C ATOM 707 O GLY A 578 -3.040 -4.390 -11.002 1.00 1.88 O ATOM 0 H GLY A 578 -2.833 -8.533 -10.563 1.00 1.65 H new ATOM 0 HA2 GLY A 578 -1.533 -6.909 -11.511 1.00 1.84 H new ATOM 0 HA3 GLY A 578 -2.844 -6.409 -12.561 1.00 1.84 H new ATOM 711 N LYS A 579 -3.170 -5.880 -9.323 1.00 1.50 N ATOM 712 CA LYS A 579 -3.719 -4.980 -8.309 1.00 1.61 C ATOM 713 C LYS A 579 -2.597 -4.234 -7.577 1.00 1.45 C ATOM 714 O LYS A 579 -1.537 -4.807 -7.320 1.00 1.56 O ATOM 715 CB LYS A 579 -4.654 -5.830 -7.436 1.00 2.02 C ATOM 716 CG LYS A 579 -5.524 -5.012 -6.478 1.00 2.78 C ATOM 717 CD LYS A 579 -6.721 -5.850 -6.006 1.00 3.13 C ATOM 718 CE LYS A 579 -7.635 -4.968 -5.167 1.00 4.18 C ATOM 719 NZ LYS A 579 -9.016 -5.483 -5.185 1.00 4.83 N ATOM 0 H LYS A 579 -2.989 -6.817 -8.963 1.00 1.50 H new ATOM 0 HA LYS A 579 -4.312 -4.168 -8.729 1.00 1.61 H new ATOM 0 HB2 LYS A 579 -5.301 -6.421 -8.084 1.00 2.02 H new ATOM 0 HB3 LYS A 579 -4.055 -6.533 -6.857 1.00 2.02 H new ATOM 0 HG2 LYS A 579 -4.933 -4.693 -5.620 1.00 2.78 H new ATOM 0 HG3 LYS A 579 -5.876 -4.109 -6.976 1.00 2.78 H new ATOM 0 HD2 LYS A 579 -7.264 -6.249 -6.863 1.00 3.13 H new ATOM 0 HD3 LYS A 579 -6.378 -6.703 -5.421 1.00 3.13 H new ATOM 0 HE2 LYS A 579 -7.269 -4.929 -4.141 1.00 4.18 H new ATOM 0 HE3 LYS A 579 -7.617 -3.948 -5.551 1.00 4.18 H new ATOM 0 HZ1 LYS A 579 -9.653 -4.784 -4.753 1.00 4.83 H new ATOM 0 HZ2 LYS A 579 -9.309 -5.657 -6.168 1.00 4.83 H new ATOM 0 HZ3 LYS A 579 -9.062 -6.372 -4.647 1.00 4.83 H new ATOM 733 N LYS A 580 -2.791 -2.936 -7.329 1.00 1.28 N ATOM 734 CA LYS A 580 -1.777 -2.003 -6.799 1.00 1.21 C ATOM 735 C LYS A 580 -1.912 -1.824 -5.278 1.00 1.00 C ATOM 736 O LYS A 580 -2.818 -2.379 -4.651 1.00 1.11 O ATOM 737 CB LYS A 580 -1.864 -0.656 -7.566 1.00 1.36 C ATOM 738 CG LYS A 580 -1.909 -0.767 -9.104 1.00 2.54 C ATOM 739 CD LYS A 580 -0.695 -1.504 -9.687 1.00 4.42 C ATOM 740 CE LYS A 580 -0.816 -1.716 -11.203 1.00 6.11 C ATOM 741 NZ LYS A 580 -0.769 -0.470 -12.000 1.00 6.12 N ATOM 0 H LYS A 580 -3.690 -2.483 -7.496 1.00 1.28 H new ATOM 0 HA LYS A 580 -0.785 -2.424 -6.962 1.00 1.21 H new ATOM 0 HB2 LYS A 580 -2.755 -0.125 -7.232 1.00 1.36 H new ATOM 0 HB3 LYS A 580 -1.006 -0.044 -7.289 1.00 1.36 H new ATOM 0 HG2 LYS A 580 -2.820 -1.288 -9.399 1.00 2.54 H new ATOM 0 HG3 LYS A 580 -1.961 0.233 -9.534 1.00 2.54 H new ATOM 0 HD2 LYS A 580 0.210 -0.935 -9.473 1.00 4.42 H new ATOM 0 HD3 LYS A 580 -0.588 -2.470 -9.194 1.00 4.42 H new ATOM 0 HE2 LYS A 580 -0.011 -2.373 -11.531 1.00 6.11 H new ATOM 0 HE3 LYS A 580 -1.753 -2.231 -11.412 1.00 6.11 H new ATOM 0 HZ1 LYS A 580 -0.420 -0.683 -12.956 1.00 6.12 H new ATOM 0 HZ2 LYS A 580 -1.724 -0.062 -12.063 1.00 6.12 H new ATOM 0 HZ3 LYS A 580 -0.131 0.211 -11.542 1.00 6.12 H new ATOM 755 N MET A 581 -1.044 -0.996 -4.693 1.00 0.82 N ATOM 756 CA MET A 581 -1.129 -0.663 -3.262 1.00 0.79 C ATOM 757 C MET A 581 -2.150 0.450 -3.018 1.00 0.86 C ATOM 758 O MET A 581 -2.147 1.470 -3.713 1.00 0.93 O ATOM 759 CB MET A 581 0.229 -0.185 -2.711 1.00 1.12 C ATOM 760 CG MET A 581 1.186 -1.333 -2.392 1.00 1.63 C ATOM 761 SD MET A 581 0.646 -2.439 -1.055 1.00 2.37 S ATOM 762 CE MET A 581 0.966 -1.408 0.406 1.00 1.49 C ATOM 0 H MET A 581 -0.274 -0.542 -5.184 1.00 0.82 H new ATOM 0 HA MET A 581 -1.434 -1.575 -2.750 1.00 0.79 H new ATOM 0 HB2 MET A 581 0.697 0.478 -3.439 1.00 1.12 H new ATOM 0 HB3 MET A 581 0.061 0.402 -1.808 1.00 1.12 H new ATOM 0 HG2 MET A 581 1.332 -1.925 -3.295 1.00 1.63 H new ATOM 0 HG3 MET A 581 2.156 -0.913 -2.126 1.00 1.63 H new ATOM 0 HE1 MET A 581 0.994 -2.037 1.296 1.00 1.49 H new ATOM 0 HE2 MET A 581 1.924 -0.900 0.290 1.00 1.49 H new ATOM 0 HE3 MET A 581 0.173 -0.667 0.510 1.00 1.49 H new ATOM 772 N TYR A 582 -2.962 0.280 -1.973 1.00 1.02 N ATOM 773 CA TYR A 582 -3.743 1.353 -1.360 1.00 1.11 C ATOM 774 C TYR A 582 -3.429 1.352 0.130 1.00 1.18 C ATOM 775 O TYR A 582 -3.548 0.330 0.805 1.00 1.40 O ATOM 776 CB TYR A 582 -5.241 1.147 -1.620 1.00 1.19 C ATOM 777 CG TYR A 582 -5.578 1.084 -3.092 1.00 1.31 C ATOM 778 CD1 TYR A 582 -5.532 -0.155 -3.758 1.00 2.37 C ATOM 779 CD2 TYR A 582 -5.837 2.264 -3.812 1.00 2.12 C ATOM 780 CE1 TYR A 582 -5.689 -0.214 -5.152 1.00 2.66 C ATOM 781 CE2 TYR A 582 -6.009 2.209 -5.206 1.00 2.40 C ATOM 782 CZ TYR A 582 -5.901 0.973 -5.879 1.00 2.12 C ATOM 783 OH TYR A 582 -5.947 0.931 -7.230 1.00 2.71 O ATOM 0 H TYR A 582 -3.097 -0.625 -1.522 1.00 1.02 H new ATOM 0 HA TYR A 582 -3.481 2.318 -1.793 1.00 1.11 H new ATOM 0 HB2 TYR A 582 -5.565 0.224 -1.138 1.00 1.19 H new ATOM 0 HB3 TYR A 582 -5.800 1.961 -1.159 1.00 1.19 H new ATOM 0 HD1 TYR A 582 -5.375 -1.063 -3.195 1.00 2.37 H new ATOM 0 HD2 TYR A 582 -5.904 3.210 -3.295 1.00 2.12 H new ATOM 0 HE1 TYR A 582 -5.647 -1.164 -5.664 1.00 2.66 H new ATOM 0 HE2 TYR A 582 -6.223 3.110 -5.761 1.00 2.40 H new ATOM 0 HH TYR A 582 -6.101 1.833 -7.580 1.00 2.71 H new ATOM 793 N PHE A 583 -3.002 2.491 0.660 1.00 1.03 N ATOM 794 CA PHE A 583 -2.488 2.557 2.025 1.00 1.02 C ATOM 795 C PHE A 583 -2.802 3.901 2.680 1.00 0.94 C ATOM 796 O PHE A 583 -3.145 4.873 2.006 1.00 0.96 O ATOM 797 CB PHE A 583 -1.030 2.037 2.079 1.00 1.25 C ATOM 798 CG PHE A 583 0.063 2.521 1.140 1.00 1.76 C ATOM 799 CD1 PHE A 583 -0.090 3.591 0.238 1.00 2.62 C ATOM 800 CD2 PHE A 583 1.265 1.787 1.139 1.00 2.77 C ATOM 801 CE1 PHE A 583 0.904 3.838 -0.728 1.00 3.22 C ATOM 802 CE2 PHE A 583 2.272 2.057 0.200 1.00 3.45 C ATOM 803 CZ PHE A 583 2.085 3.076 -0.744 1.00 3.28 C ATOM 0 H PHE A 583 -3.001 3.383 0.166 1.00 1.03 H new ATOM 0 HA PHE A 583 -3.020 1.865 2.678 1.00 1.02 H new ATOM 0 HB2 PHE A 583 -0.673 2.226 3.091 1.00 1.25 H new ATOM 0 HB3 PHE A 583 -1.084 0.955 1.957 1.00 1.25 H new ATOM 0 HD1 PHE A 583 -0.967 4.220 0.287 1.00 2.62 H new ATOM 0 HD2 PHE A 583 1.414 1.006 1.870 1.00 2.77 H new ATOM 0 HE1 PHE A 583 0.758 4.618 -1.461 1.00 3.22 H new ATOM 0 HE2 PHE A 583 3.187 1.483 0.205 1.00 3.45 H new ATOM 0 HZ PHE A 583 2.847 3.275 -1.483 1.00 3.28 H new ATOM 813 N ILE A 584 -2.865 3.906 4.010 1.00 0.92 N ATOM 814 CA ILE A 584 -3.638 4.907 4.756 1.00 0.93 C ATOM 815 C ILE A 584 -2.727 6.076 5.145 1.00 1.03 C ATOM 816 O ILE A 584 -1.936 5.939 6.076 1.00 1.02 O ATOM 817 CB ILE A 584 -4.360 4.241 5.961 1.00 0.89 C ATOM 818 CG1 ILE A 584 -5.175 3.003 5.518 1.00 0.88 C ATOM 819 CG2 ILE A 584 -5.295 5.276 6.621 1.00 0.85 C ATOM 820 CD1 ILE A 584 -5.932 2.313 6.655 1.00 0.84 C ATOM 0 H ILE A 584 -2.388 3.225 4.600 1.00 0.92 H new ATOM 0 HA ILE A 584 -4.427 5.324 4.130 1.00 0.93 H new ATOM 0 HB ILE A 584 -3.608 3.905 6.674 1.00 0.89 H new ATOM 0 HG12 ILE A 584 -5.889 3.307 4.752 1.00 0.88 H new ATOM 0 HG13 ILE A 584 -4.499 2.283 5.056 1.00 0.88 H new ATOM 0 HG21 ILE A 584 -5.806 4.817 7.468 1.00 0.85 H new ATOM 0 HG22 ILE A 584 -4.709 6.127 6.969 1.00 0.85 H new ATOM 0 HG23 ILE A 584 -6.032 5.616 5.894 1.00 0.85 H new ATOM 0 HD11 ILE A 584 -6.478 1.455 6.261 1.00 0.84 H new ATOM 0 HD12 ILE A 584 -5.224 1.976 7.412 1.00 0.84 H new ATOM 0 HD13 ILE A 584 -6.635 3.015 7.103 1.00 0.84 H new ATOM 832 N GLN A 585 -2.819 7.225 4.457 1.00 1.19 N ATOM 833 CA GLN A 585 -2.029 8.412 4.807 1.00 1.27 C ATOM 834 C GLN A 585 -2.467 8.963 6.170 1.00 1.24 C ATOM 835 O GLN A 585 -1.654 9.067 7.090 1.00 1.35 O ATOM 836 CB GLN A 585 -2.116 9.478 3.694 1.00 1.25 C ATOM 837 CG GLN A 585 -0.807 10.272 3.567 1.00 1.69 C ATOM 838 CD GLN A 585 -0.439 11.073 4.811 1.00 2.05 C ATOM 839 OE1 GLN A 585 0.513 10.773 5.517 1.00 3.50 O ATOM 840 NE2 GLN A 585 -1.198 12.091 5.132 1.00 1.92 N ATOM 0 H GLN A 585 -3.434 7.355 3.654 1.00 1.19 H new ATOM 0 HA GLN A 585 -0.981 8.125 4.891 1.00 1.27 H new ATOM 0 HB2 GLN A 585 -2.343 8.995 2.744 1.00 1.25 H new ATOM 0 HB3 GLN A 585 -2.938 10.162 3.908 1.00 1.25 H new ATOM 0 HG2 GLN A 585 0.004 9.580 3.341 1.00 1.69 H new ATOM 0 HG3 GLN A 585 -0.889 10.954 2.721 1.00 1.69 H new ATOM 0 HE21 GLN A 585 -1.992 12.341 4.543 1.00 1.92 H new ATOM 0 HE22 GLN A 585 -0.995 12.634 5.971 1.00 1.92 H new ATOM 849 N HIS A 586 -3.761 9.259 6.334 1.00 1.15 N ATOM 850 CA HIS A 586 -4.324 9.629 7.632 1.00 1.15 C ATOM 851 C HIS A 586 -5.799 9.224 7.779 1.00 1.01 C ATOM 852 O HIS A 586 -6.645 9.673 7.010 1.00 0.93 O ATOM 853 CB HIS A 586 -4.149 11.140 7.818 1.00 1.21 C ATOM 854 CG HIS A 586 -4.482 11.579 9.216 1.00 1.29 C ATOM 855 ND1 HIS A 586 -5.738 11.852 9.701 1.00 2.11 N ATOM 856 CD2 HIS A 586 -3.609 11.690 10.261 1.00 2.27 C ATOM 857 CE1 HIS A 586 -5.629 12.122 11.010 1.00 2.23 C ATOM 858 NE2 HIS A 586 -4.344 12.032 11.406 1.00 2.20 N ATOM 0 H HIS A 586 -4.442 9.248 5.574 1.00 1.15 H new ATOM 0 HA HIS A 586 -3.789 9.084 8.410 1.00 1.15 H new ATOM 0 HB2 HIS A 586 -3.120 11.417 7.587 1.00 1.21 H new ATOM 0 HB3 HIS A 586 -4.788 11.668 7.110 1.00 1.21 H new ATOM 0 HD2 HIS A 586 -2.540 11.541 10.214 1.00 2.27 H new ATOM 0 HE1 HIS A 586 -6.456 12.376 11.657 1.00 2.23 H new ATOM 0 HE2 HIS A 586 -3.980 12.182 12.347 1.00 2.20 H new ATOM 866 N GLY A 587 -6.122 8.405 8.782 1.00 1.05 N ATOM 867 CA GLY A 587 -7.485 8.022 9.137 1.00 0.98 C ATOM 868 C GLY A 587 -7.533 6.581 9.637 1.00 1.05 C ATOM 869 O GLY A 587 -6.502 6.006 9.988 1.00 1.20 O ATOM 0 H GLY A 587 -5.419 7.979 9.386 1.00 1.05 H new ATOM 0 HA2 GLY A 587 -7.866 8.692 9.908 1.00 0.98 H new ATOM 0 HA3 GLY A 587 -8.136 8.132 8.269 1.00 0.98 H new ATOM 873 N VAL A 588 -8.734 6.001 9.661 1.00 1.00 N ATOM 874 CA VAL A 588 -9.002 4.642 10.142 1.00 1.04 C ATOM 875 C VAL A 588 -10.022 3.961 9.218 1.00 0.91 C ATOM 876 O VAL A 588 -10.894 4.610 8.629 1.00 0.85 O ATOM 877 CB VAL A 588 -9.486 4.669 11.615 1.00 1.15 C ATOM 878 CG1 VAL A 588 -9.801 3.287 12.196 1.00 1.15 C ATOM 879 CG2 VAL A 588 -8.439 5.290 12.548 1.00 1.38 C ATOM 0 H VAL A 588 -9.575 6.478 9.336 1.00 1.00 H new ATOM 0 HA VAL A 588 -8.080 4.060 10.119 1.00 1.04 H new ATOM 0 HB VAL A 588 -10.398 5.264 11.571 1.00 1.15 H new ATOM 0 HG11 VAL A 588 -10.133 3.393 13.229 1.00 1.15 H new ATOM 0 HG12 VAL A 588 -10.589 2.816 11.609 1.00 1.15 H new ATOM 0 HG13 VAL A 588 -8.905 2.666 12.165 1.00 1.15 H new ATOM 0 HG21 VAL A 588 -8.817 5.290 13.570 1.00 1.38 H new ATOM 0 HG22 VAL A 588 -7.519 4.707 12.501 1.00 1.38 H new ATOM 0 HG23 VAL A 588 -8.236 6.315 12.236 1.00 1.38 H new ATOM 889 N VAL A 589 -9.929 2.642 9.077 1.00 0.90 N ATOM 890 CA VAL A 589 -10.874 1.793 8.330 1.00 0.78 C ATOM 891 C VAL A 589 -11.326 0.620 9.201 1.00 0.79 C ATOM 892 O VAL A 589 -10.527 0.091 9.966 1.00 0.95 O ATOM 893 CB VAL A 589 -10.276 1.305 6.995 1.00 0.81 C ATOM 894 CG1 VAL A 589 -9.948 2.473 6.055 1.00 0.84 C ATOM 895 CG2 VAL A 589 -9.012 0.460 7.188 1.00 0.94 C ATOM 0 H VAL A 589 -9.167 2.107 9.493 1.00 0.90 H new ATOM 0 HA VAL A 589 -11.746 2.396 8.079 1.00 0.78 H new ATOM 0 HB VAL A 589 -11.048 0.681 6.545 1.00 0.81 H new ATOM 0 HG11 VAL A 589 -9.529 2.086 5.126 1.00 0.84 H new ATOM 0 HG12 VAL A 589 -10.858 3.032 5.837 1.00 0.84 H new ATOM 0 HG13 VAL A 589 -9.223 3.132 6.533 1.00 0.84 H new ATOM 0 HG21 VAL A 589 -8.634 0.144 6.216 1.00 0.94 H new ATOM 0 HG22 VAL A 589 -8.252 1.053 7.697 1.00 0.94 H new ATOM 0 HG23 VAL A 589 -9.250 -0.418 7.788 1.00 0.94 H new ATOM 905 N SER A 590 -12.577 0.191 9.062 1.00 0.69 N ATOM 906 CA SER A 590 -13.163 -0.965 9.761 1.00 0.83 C ATOM 907 C SER A 590 -13.374 -2.066 8.744 1.00 0.90 C ATOM 908 O SER A 590 -13.880 -1.872 7.636 1.00 0.84 O ATOM 909 CB SER A 590 -14.524 -0.675 10.382 1.00 1.07 C ATOM 910 OG SER A 590 -14.399 0.359 11.323 1.00 1.30 O ATOM 0 H SER A 590 -13.241 0.651 8.438 1.00 0.69 H new ATOM 0 HA SER A 590 -12.475 -1.234 10.562 1.00 0.83 H new ATOM 0 HB2 SER A 590 -15.236 -0.392 9.607 1.00 1.07 H new ATOM 0 HB3 SER A 590 -14.915 -1.572 10.862 1.00 1.07 H new ATOM 0 HG SER A 590 -15.046 1.067 11.119 1.00 1.30 H new ATOM 916 N VAL A 591 -12.847 -3.214 9.102 1.00 1.09 N ATOM 917 CA VAL A 591 -12.154 -4.068 8.176 1.00 0.95 C ATOM 918 C VAL A 591 -12.428 -5.505 8.556 1.00 0.81 C ATOM 919 O VAL A 591 -12.701 -5.831 9.716 1.00 0.83 O ATOM 920 CB VAL A 591 -10.663 -3.686 8.225 1.00 1.33 C ATOM 921 CG1 VAL A 591 -10.156 -3.620 9.644 1.00 2.60 C ATOM 922 CG2 VAL A 591 -9.711 -4.696 7.675 1.00 1.04 C ATOM 0 H VAL A 591 -12.890 -3.581 10.053 1.00 1.09 H new ATOM 0 HA VAL A 591 -12.492 -3.947 7.147 1.00 0.95 H new ATOM 0 HB VAL A 591 -10.669 -2.757 7.655 1.00 1.33 H new ATOM 0 HG11 VAL A 591 -9.101 -3.348 9.641 1.00 2.60 H new ATOM 0 HG12 VAL A 591 -10.722 -2.871 10.198 1.00 2.60 H new ATOM 0 HG13 VAL A 591 -10.278 -4.593 10.120 1.00 2.60 H new ATOM 0 HG21 VAL A 591 -8.692 -4.320 7.762 1.00 1.04 H new ATOM 0 HG22 VAL A 591 -9.804 -5.626 8.235 1.00 1.04 H new ATOM 0 HG23 VAL A 591 -9.942 -4.880 6.626 1.00 1.04 H new ATOM 932 N LEU A 592 -12.324 -6.368 7.566 1.00 0.92 N ATOM 933 CA LEU A 592 -12.122 -7.784 7.825 1.00 1.40 C ATOM 934 C LEU A 592 -10.752 -8.181 7.290 1.00 1.76 C ATOM 935 O LEU A 592 -10.412 -7.815 6.160 1.00 1.74 O ATOM 936 CB LEU A 592 -13.208 -8.623 7.122 1.00 1.72 C ATOM 937 CG LEU A 592 -14.681 -8.511 7.557 1.00 1.88 C ATOM 938 CD1 LEU A 592 -14.858 -9.026 8.977 1.00 2.20 C ATOM 939 CD2 LEU A 592 -15.319 -7.125 7.448 1.00 1.78 C ATOM 0 H LEU A 592 -12.375 -6.118 6.578 1.00 0.92 H new ATOM 0 HA LEU A 592 -12.183 -7.968 8.898 1.00 1.40 H new ATOM 0 HB2 LEU A 592 -13.166 -8.380 6.060 1.00 1.72 H new ATOM 0 HB3 LEU A 592 -12.921 -9.670 7.221 1.00 1.72 H new ATOM 0 HG LEU A 592 -15.210 -9.130 6.832 1.00 1.88 H new ATOM 0 HD11 LEU A 592 -15.905 -8.939 9.268 1.00 2.20 H new ATOM 0 HD12 LEU A 592 -14.553 -10.071 9.025 1.00 2.20 H new ATOM 0 HD13 LEU A 592 -14.243 -8.437 9.657 1.00 2.20 H new ATOM 0 HD21 LEU A 592 -16.355 -7.174 7.782 1.00 1.78 H new ATOM 0 HD22 LEU A 592 -14.769 -6.421 8.073 1.00 1.78 H new ATOM 0 HD23 LEU A 592 -15.288 -6.791 6.411 1.00 1.78 H new ATOM 951 N THR A 593 -9.999 -8.991 8.030 1.00 2.20 N ATOM 952 CA THR A 593 -8.995 -9.856 7.380 1.00 2.50 C ATOM 953 C THR A 593 -9.598 -11.235 7.084 1.00 2.70 C ATOM 954 O THR A 593 -10.332 -11.801 7.898 1.00 2.78 O ATOM 955 CB THR A 593 -7.645 -9.843 8.107 1.00 2.80 C ATOM 956 OG1 THR A 593 -7.773 -9.805 9.507 1.00 2.77 O ATOM 957 CG2 THR A 593 -6.894 -8.572 7.717 1.00 2.78 C ATOM 0 H THR A 593 -10.053 -9.073 9.045 1.00 2.20 H new ATOM 0 HA THR A 593 -8.734 -9.444 6.405 1.00 2.50 H new ATOM 0 HB THR A 593 -7.129 -10.759 7.821 1.00 2.80 H new ATOM 0 HG1 THR A 593 -6.883 -9.800 9.917 1.00 2.77 H new ATOM 0 HG21 THR A 593 -5.931 -8.548 8.226 1.00 2.78 H new ATOM 0 HG22 THR A 593 -6.735 -8.560 6.639 1.00 2.78 H new ATOM 0 HG23 THR A 593 -7.480 -7.700 8.007 1.00 2.78 H new ATOM 965 N LYS A 594 -9.404 -11.727 5.854 1.00 2.79 N ATOM 966 CA LYS A 594 -10.223 -12.783 5.229 1.00 2.89 C ATOM 967 C LYS A 594 -10.169 -14.148 5.926 1.00 3.15 C ATOM 968 O LYS A 594 -11.192 -14.824 5.990 1.00 3.18 O ATOM 969 CB LYS A 594 -9.892 -12.909 3.728 1.00 2.98 C ATOM 970 CG LYS A 594 -8.433 -13.275 3.392 1.00 3.34 C ATOM 971 CD LYS A 594 -7.591 -12.056 2.979 1.00 3.47 C ATOM 972 CE LYS A 594 -6.094 -12.362 2.846 1.00 4.01 C ATOM 973 NZ LYS A 594 -5.823 -13.482 1.919 1.00 4.23 N ATOM 0 H LYS A 594 -8.654 -11.395 5.247 1.00 2.79 H new ATOM 0 HA LYS A 594 -11.255 -12.455 5.351 1.00 2.89 H new ATOM 0 HB2 LYS A 594 -10.546 -13.665 3.293 1.00 2.98 H new ATOM 0 HB3 LYS A 594 -10.131 -11.963 3.242 1.00 2.98 H new ATOM 0 HG2 LYS A 594 -7.974 -13.751 4.259 1.00 3.34 H new ATOM 0 HG3 LYS A 594 -8.424 -14.007 2.585 1.00 3.34 H new ATOM 0 HD2 LYS A 594 -7.961 -11.674 2.028 1.00 3.47 H new ATOM 0 HD3 LYS A 594 -7.728 -11.264 3.715 1.00 3.47 H new ATOM 0 HE2 LYS A 594 -5.574 -11.471 2.495 1.00 4.01 H new ATOM 0 HE3 LYS A 594 -5.687 -12.602 3.828 1.00 4.01 H new ATOM 0 HZ1 LYS A 594 -4.796 -13.593 1.799 1.00 4.23 H new ATOM 0 HZ2 LYS A 594 -6.223 -14.359 2.308 1.00 4.23 H new ATOM 0 HZ3 LYS A 594 -6.259 -13.282 0.996 1.00 4.23 H new ATOM 987 N GLY A 595 -9.028 -14.542 6.489 1.00 4.21 N ATOM 988 CA GLY A 595 -8.898 -15.764 7.298 1.00 4.54 C ATOM 989 C GLY A 595 -9.399 -15.614 8.736 1.00 4.35 C ATOM 990 O GLY A 595 -9.351 -16.561 9.526 1.00 4.76 O ATOM 0 H GLY A 595 -8.156 -14.020 6.399 1.00 4.21 H new ATOM 0 HA2 GLY A 595 -9.451 -16.569 6.814 1.00 4.54 H new ATOM 0 HA3 GLY A 595 -7.850 -16.064 7.318 1.00 4.54 H new ATOM 994 N ASN A 596 -9.749 -14.384 9.109 1.00 3.82 N ATOM 995 CA ASN A 596 -9.485 -13.841 10.429 1.00 3.71 C ATOM 996 C ASN A 596 -10.680 -12.975 10.897 1.00 3.33 C ATOM 997 O ASN A 596 -11.838 -13.293 10.604 1.00 3.38 O ATOM 998 CB ASN A 596 -8.174 -13.028 10.356 1.00 3.63 C ATOM 999 CG ASN A 596 -6.917 -13.625 9.727 1.00 4.04 C ATOM 1000 OD1 ASN A 596 -6.800 -14.801 9.426 1.00 4.44 O ATOM 1001 ND2 ASN A 596 -5.891 -12.831 9.554 1.00 4.06 N ATOM 0 H ASN A 596 -10.230 -13.732 8.490 1.00 3.82 H new ATOM 0 HA ASN A 596 -9.368 -14.639 11.162 1.00 3.71 H new ATOM 0 HB2 ASN A 596 -8.397 -12.109 9.815 1.00 3.63 H new ATOM 0 HB3 ASN A 596 -7.917 -12.743 11.376 1.00 3.63 H new ATOM 0 HD21 ASN A 596 -5.019 -13.200 9.175 1.00 4.06 H new ATOM 0 HD22 ASN A 596 -5.964 -11.843 9.798 1.00 4.06 H new ATOM 1008 N LYS A 597 -10.415 -11.940 11.704 1.00 3.06 N ATOM 1009 CA LYS A 597 -11.394 -11.207 12.509 1.00 2.76 C ATOM 1010 C LYS A 597 -11.794 -9.838 11.959 1.00 2.17 C ATOM 1011 O LYS A 597 -11.134 -9.253 11.098 1.00 2.07 O ATOM 1012 CB LYS A 597 -10.890 -11.094 13.969 1.00 2.99 C ATOM 1013 CG LYS A 597 -10.869 -12.383 14.813 1.00 3.33 C ATOM 1014 CD LYS A 597 -9.979 -13.546 14.341 1.00 3.43 C ATOM 1015 CE LYS A 597 -8.502 -13.224 14.059 1.00 4.11 C ATOM 1016 NZ LYS A 597 -7.768 -12.751 15.253 1.00 4.78 N ATOM 0 H LYS A 597 -9.469 -11.576 11.817 1.00 3.06 H new ATOM 0 HA LYS A 597 -12.312 -11.793 12.467 1.00 2.76 H new ATOM 0 HB2 LYS A 597 -9.878 -10.690 13.946 1.00 2.99 H new ATOM 0 HB3 LYS A 597 -11.513 -10.363 14.485 1.00 2.99 H new ATOM 0 HG2 LYS A 597 -10.559 -12.115 15.823 1.00 3.33 H new ATOM 0 HG3 LYS A 597 -11.892 -12.753 14.881 1.00 3.33 H new ATOM 0 HD2 LYS A 597 -10.016 -14.330 15.097 1.00 3.43 H new ATOM 0 HD3 LYS A 597 -10.415 -13.959 13.432 1.00 3.43 H new ATOM 0 HE2 LYS A 597 -8.011 -14.116 13.669 1.00 4.11 H new ATOM 0 HE3 LYS A 597 -8.445 -12.463 13.281 1.00 4.11 H new ATOM 0 HZ1 LYS A 597 -6.780 -12.551 14.997 1.00 4.78 H new ATOM 0 HZ2 LYS A 597 -8.214 -11.884 15.614 1.00 4.78 H new ATOM 0 HZ3 LYS A 597 -7.793 -13.485 15.989 1.00 4.78 H new ATOM 1030 N GLU A 598 -12.867 -9.309 12.544 1.00 1.96 N ATOM 1031 CA GLU A 598 -13.216 -7.894 12.466 1.00 1.54 C ATOM 1032 C GLU A 598 -12.189 -7.033 13.190 1.00 1.35 C ATOM 1033 O GLU A 598 -12.007 -7.099 14.409 1.00 1.49 O ATOM 1034 CB GLU A 598 -14.604 -7.617 13.053 1.00 1.99 C ATOM 1035 CG GLU A 598 -15.675 -8.143 12.110 1.00 2.43 C ATOM 1036 CD GLU A 598 -17.026 -8.272 12.814 1.00 2.82 C ATOM 1037 OE1 GLU A 598 -17.231 -9.253 13.570 1.00 4.03 O ATOM 1038 OE2 GLU A 598 -17.879 -7.363 12.661 1.00 2.73 O ATOM 0 H GLU A 598 -13.527 -9.860 13.093 1.00 1.96 H new ATOM 0 HA GLU A 598 -13.225 -7.635 11.407 1.00 1.54 H new ATOM 0 HB2 GLU A 598 -14.699 -8.094 14.028 1.00 1.99 H new ATOM 0 HB3 GLU A 598 -14.737 -6.546 13.208 1.00 1.99 H new ATOM 0 HG2 GLU A 598 -15.771 -7.472 11.256 1.00 2.43 H new ATOM 0 HG3 GLU A 598 -15.372 -9.115 11.720 1.00 2.43 H new ATOM 1045 N MET A 599 -11.530 -6.194 12.412 1.00 1.16 N ATOM 1046 CA MET A 599 -10.530 -5.234 12.877 1.00 1.14 C ATOM 1047 C MET A 599 -10.919 -3.784 12.593 1.00 1.08 C ATOM 1048 O MET A 599 -11.902 -3.503 11.907 1.00 1.38 O ATOM 1049 CB MET A 599 -9.143 -5.631 12.366 1.00 1.33 C ATOM 1050 CG MET A 599 -8.686 -6.976 12.945 1.00 1.54 C ATOM 1051 SD MET A 599 -7.001 -7.448 12.486 1.00 2.11 S ATOM 1052 CE MET A 599 -7.050 -7.023 10.730 1.00 2.27 C ATOM 0 H MET A 599 -11.677 -6.156 11.403 1.00 1.16 H new ATOM 0 HA MET A 599 -10.488 -5.277 13.965 1.00 1.14 H new ATOM 0 HB2 MET A 599 -9.160 -5.691 11.278 1.00 1.33 H new ATOM 0 HB3 MET A 599 -8.423 -4.857 12.632 1.00 1.33 H new ATOM 0 HG2 MET A 599 -8.756 -6.933 14.032 1.00 1.54 H new ATOM 0 HG3 MET A 599 -9.373 -7.754 12.612 1.00 1.54 H new ATOM 0 HE1 MET A 599 -6.203 -7.483 10.220 1.00 2.27 H new ATOM 0 HE2 MET A 599 -7.979 -7.389 10.293 1.00 2.27 H new ATOM 0 HE3 MET A 599 -6.997 -5.940 10.616 1.00 2.27 H new ATOM 1062 N LYS A 600 -10.105 -2.862 13.105 1.00 1.11 N ATOM 1063 CA LYS A 600 -9.664 -1.652 12.435 1.00 1.19 C ATOM 1064 C LYS A 600 -8.245 -1.761 11.887 1.00 1.27 C ATOM 1065 O LYS A 600 -7.377 -2.421 12.460 1.00 1.42 O ATOM 1066 CB LYS A 600 -9.739 -0.459 13.406 1.00 1.52 C ATOM 1067 CG LYS A 600 -11.073 0.278 13.386 1.00 1.26 C ATOM 1068 CD LYS A 600 -12.315 -0.567 13.635 1.00 1.14 C ATOM 1069 CE LYS A 600 -12.323 -1.262 15.002 1.00 1.65 C ATOM 1070 NZ LYS A 600 -13.551 -2.066 15.174 1.00 2.19 N ATOM 0 H LYS A 600 -9.719 -2.948 14.045 1.00 1.11 H new ATOM 0 HA LYS A 600 -10.333 -1.501 11.587 1.00 1.19 H new ATOM 0 HB2 LYS A 600 -9.549 -0.816 14.418 1.00 1.52 H new ATOM 0 HB3 LYS A 600 -8.944 0.245 13.161 1.00 1.52 H new ATOM 0 HG2 LYS A 600 -11.039 1.066 14.138 1.00 1.26 H new ATOM 0 HG3 LYS A 600 -11.180 0.766 12.417 1.00 1.26 H new ATOM 0 HD2 LYS A 600 -13.198 0.068 13.555 1.00 1.14 H new ATOM 0 HD3 LYS A 600 -12.393 -1.322 12.853 1.00 1.14 H new ATOM 0 HE2 LYS A 600 -11.447 -1.904 15.094 1.00 1.65 H new ATOM 0 HE3 LYS A 600 -12.257 -0.517 15.795 1.00 1.65 H new ATOM 0 HZ1 LYS A 600 -13.536 -2.528 16.106 1.00 2.19 H new ATOM 0 HZ2 LYS A 600 -14.384 -1.446 15.108 1.00 2.19 H new ATOM 0 HZ3 LYS A 600 -13.599 -2.790 14.429 1.00 2.19 H new ATOM 1084 N LEU A 601 -8.015 -1.003 10.824 1.00 1.26 N ATOM 1085 CA LEU A 601 -6.691 -0.615 10.302 1.00 1.36 C ATOM 1086 C LEU A 601 -6.526 0.914 10.404 1.00 1.29 C ATOM 1087 O LEU A 601 -7.503 1.652 10.291 1.00 1.20 O ATOM 1088 CB LEU A 601 -6.497 -1.138 8.861 1.00 1.37 C ATOM 1089 CG LEU A 601 -5.543 -2.334 8.704 1.00 1.46 C ATOM 1090 CD1 LEU A 601 -6.071 -3.585 9.392 1.00 1.41 C ATOM 1091 CD2 LEU A 601 -5.389 -2.664 7.216 1.00 1.51 C ATOM 0 H LEU A 601 -8.778 -0.617 10.267 1.00 1.26 H new ATOM 0 HA LEU A 601 -5.908 -1.075 10.905 1.00 1.36 H new ATOM 0 HB2 LEU A 601 -7.472 -1.421 8.463 1.00 1.37 H new ATOM 0 HB3 LEU A 601 -6.127 -0.319 8.245 1.00 1.37 H new ATOM 0 HG LEU A 601 -4.595 -2.050 9.161 1.00 1.46 H new ATOM 0 HD11 LEU A 601 -5.363 -4.402 9.254 1.00 1.41 H new ATOM 0 HD12 LEU A 601 -6.196 -3.389 10.457 1.00 1.41 H new ATOM 0 HD13 LEU A 601 -7.033 -3.860 8.959 1.00 1.41 H new ATOM 0 HD21 LEU A 601 -4.713 -3.511 7.099 1.00 1.51 H new ATOM 0 HD22 LEU A 601 -6.363 -2.916 6.796 1.00 1.51 H new ATOM 0 HD23 LEU A 601 -4.981 -1.800 6.692 1.00 1.51 H new ATOM 1103 N SER A 602 -5.297 1.383 10.615 1.00 1.35 N ATOM 1104 CA SER A 602 -4.964 2.753 11.049 1.00 1.25 C ATOM 1105 C SER A 602 -3.990 3.466 10.104 1.00 1.23 C ATOM 1106 O SER A 602 -3.496 2.883 9.144 1.00 1.39 O ATOM 1107 CB SER A 602 -4.382 2.683 12.470 1.00 1.67 C ATOM 1108 OG SER A 602 -3.257 1.823 12.559 1.00 2.47 O ATOM 0 H SER A 602 -4.469 0.802 10.485 1.00 1.35 H new ATOM 0 HA SER A 602 -5.880 3.344 11.033 1.00 1.25 H new ATOM 0 HB2 SER A 602 -4.095 3.685 12.790 1.00 1.67 H new ATOM 0 HB3 SER A 602 -5.154 2.337 13.158 1.00 1.67 H new ATOM 0 HG SER A 602 -2.924 1.815 13.481 1.00 2.47 H new ATOM 1114 N ASP A 603 -3.667 4.732 10.356 1.00 1.18 N ATOM 1115 CA ASP A 603 -2.707 5.467 9.522 1.00 1.22 C ATOM 1116 C ASP A 603 -1.329 4.766 9.459 1.00 1.39 C ATOM 1117 O ASP A 603 -0.749 4.389 10.480 1.00 1.54 O ATOM 1118 CB ASP A 603 -2.645 6.941 9.940 1.00 1.28 C ATOM 1119 CG ASP A 603 -1.854 7.229 11.217 1.00 1.56 C ATOM 1120 OD1 ASP A 603 -2.253 6.792 12.322 1.00 1.67 O ATOM 1121 OD2 ASP A 603 -0.863 7.992 11.124 1.00 3.11 O ATOM 0 H ASP A 603 -4.053 5.274 11.129 1.00 1.18 H new ATOM 0 HA ASP A 603 -3.064 5.457 8.492 1.00 1.22 H new ATOM 0 HB2 ASP A 603 -2.205 7.514 9.124 1.00 1.28 H new ATOM 0 HB3 ASP A 603 -3.663 7.306 10.074 1.00 1.28 H new ATOM 1126 N GLY A 604 -0.819 4.523 8.249 1.00 1.44 N ATOM 1127 CA GLY A 604 0.334 3.648 7.977 1.00 1.62 C ATOM 1128 C GLY A 604 0.010 2.164 7.760 1.00 1.50 C ATOM 1129 O GLY A 604 0.926 1.356 7.600 1.00 1.60 O ATOM 0 H GLY A 604 -1.206 4.941 7.403 1.00 1.44 H new ATOM 0 HA2 GLY A 604 0.848 4.021 7.091 1.00 1.62 H new ATOM 0 HA3 GLY A 604 1.033 3.730 8.810 1.00 1.62 H new ATOM 1133 N SER A 605 -1.265 1.782 7.761 1.00 1.36 N ATOM 1134 CA SER A 605 -1.742 0.448 7.367 1.00 1.31 C ATOM 1135 C SER A 605 -2.020 0.360 5.863 1.00 1.33 C ATOM 1136 O SER A 605 -2.094 1.386 5.182 1.00 1.30 O ATOM 1137 CB SER A 605 -3.028 0.122 8.111 1.00 1.14 C ATOM 1138 OG SER A 605 -2.806 0.028 9.507 1.00 1.18 O ATOM 0 H SER A 605 -2.021 2.406 8.043 1.00 1.36 H new ATOM 0 HA SER A 605 -0.955 -0.263 7.619 1.00 1.31 H new ATOM 0 HB2 SER A 605 -3.772 0.893 7.910 1.00 1.14 H new ATOM 0 HB3 SER A 605 -3.436 -0.819 7.741 1.00 1.14 H new ATOM 0 HG SER A 605 -2.737 -0.915 9.765 1.00 1.18 H new ATOM 1144 N TYR A 606 -2.204 -0.853 5.336 1.00 1.41 N ATOM 1145 CA TYR A 606 -2.332 -1.091 3.897 1.00 1.48 C ATOM 1146 C TYR A 606 -3.293 -2.225 3.503 1.00 1.53 C ATOM 1147 O TYR A 606 -3.490 -3.202 4.226 1.00 1.64 O ATOM 1148 CB TYR A 606 -0.938 -1.320 3.301 1.00 1.68 C ATOM 1149 CG TYR A 606 -0.186 -2.528 3.824 1.00 1.83 C ATOM 1150 CD1 TYR A 606 0.486 -2.460 5.057 1.00 1.76 C ATOM 1151 CD2 TYR A 606 -0.137 -3.709 3.062 1.00 3.42 C ATOM 1152 CE1 TYR A 606 1.159 -3.591 5.557 1.00 2.36 C ATOM 1153 CE2 TYR A 606 0.557 -4.831 3.545 1.00 3.93 C ATOM 1154 CZ TYR A 606 1.184 -4.783 4.807 1.00 3.09 C ATOM 1155 OH TYR A 606 1.797 -5.888 5.300 1.00 3.90 O ATOM 0 H TYR A 606 -2.269 -1.701 5.899 1.00 1.41 H new ATOM 0 HA TYR A 606 -2.792 -0.195 3.479 1.00 1.48 H new ATOM 0 HB2 TYR A 606 -1.038 -1.418 2.220 1.00 1.68 H new ATOM 0 HB3 TYR A 606 -0.334 -0.432 3.486 1.00 1.68 H new ATOM 0 HD1 TYR A 606 0.486 -1.539 5.621 1.00 1.76 H new ATOM 0 HD2 TYR A 606 -0.634 -3.754 2.104 1.00 3.42 H new ATOM 0 HE1 TYR A 606 1.656 -3.545 6.515 1.00 2.36 H new ATOM 0 HE2 TYR A 606 0.610 -5.730 2.950 1.00 3.93 H new ATOM 0 HH TYR A 606 1.719 -6.621 4.654 1.00 3.90 H new ATOM 1165 N PHE A 607 -3.869 -2.072 2.312 1.00 1.51 N ATOM 1166 CA PHE A 607 -4.771 -2.991 1.612 1.00 1.63 C ATOM 1167 C PHE A 607 -4.598 -2.853 0.081 1.00 1.97 C ATOM 1168 O PHE A 607 -3.624 -2.267 -0.404 1.00 2.00 O ATOM 1169 CB PHE A 607 -6.215 -2.795 2.109 1.00 1.67 C ATOM 1170 CG PHE A 607 -6.679 -1.359 2.226 1.00 1.50 C ATOM 1171 CD1 PHE A 607 -7.100 -0.644 1.089 1.00 2.86 C ATOM 1172 CD2 PHE A 607 -6.712 -0.749 3.494 1.00 1.60 C ATOM 1173 CE1 PHE A 607 -7.554 0.680 1.221 1.00 3.13 C ATOM 1174 CE2 PHE A 607 -7.168 0.571 3.621 1.00 1.52 C ATOM 1175 CZ PHE A 607 -7.570 1.284 2.488 1.00 1.89 C ATOM 0 H PHE A 607 -3.703 -1.229 1.762 1.00 1.51 H new ATOM 0 HA PHE A 607 -4.513 -4.024 1.844 1.00 1.63 H new ATOM 0 HB2 PHE A 607 -6.888 -3.321 1.431 1.00 1.67 H new ATOM 0 HB3 PHE A 607 -6.311 -3.269 3.086 1.00 1.67 H new ATOM 0 HD1 PHE A 607 -7.074 -1.112 0.116 1.00 2.86 H new ATOM 0 HD2 PHE A 607 -6.387 -1.296 4.367 1.00 1.60 H new ATOM 0 HE1 PHE A 607 -7.888 1.229 0.353 1.00 3.13 H new ATOM 0 HE2 PHE A 607 -7.209 1.037 4.595 1.00 1.52 H new ATOM 0 HZ PHE A 607 -7.896 2.309 2.588 1.00 1.89 H new ATOM 1185 N GLY A 608 -5.454 -3.510 -0.704 1.00 2.38 N ATOM 1186 CA GLY A 608 -5.305 -3.646 -2.154 1.00 2.75 C ATOM 1187 C GLY A 608 -4.935 -5.081 -2.491 1.00 3.00 C ATOM 1188 O GLY A 608 -5.814 -5.938 -2.576 1.00 4.02 O ATOM 0 H GLY A 608 -6.288 -3.972 -0.342 1.00 2.38 H new ATOM 0 HA2 GLY A 608 -6.234 -3.372 -2.653 1.00 2.75 H new ATOM 0 HA3 GLY A 608 -4.535 -2.965 -2.517 1.00 2.75 H new ATOM 1192 N GLU A 609 -3.639 -5.330 -2.632 1.00 2.90 N ATOM 1193 CA GLU A 609 -3.029 -6.661 -2.661 1.00 3.00 C ATOM 1194 C GLU A 609 -1.582 -6.582 -2.150 1.00 2.39 C ATOM 1195 O GLU A 609 -0.962 -5.513 -2.208 1.00 3.56 O ATOM 1196 CB GLU A 609 -3.053 -7.211 -4.104 1.00 4.28 C ATOM 1197 CG GLU A 609 -3.832 -8.522 -4.258 1.00 4.90 C ATOM 1198 CD GLU A 609 -3.135 -9.709 -3.581 1.00 5.04 C ATOM 1199 OE1 GLU A 609 -2.993 -9.708 -2.339 1.00 5.09 O ATOM 1200 OE2 GLU A 609 -2.749 -10.682 -4.273 1.00 5.77 O ATOM 0 H GLU A 609 -2.953 -4.582 -2.734 1.00 2.90 H new ATOM 0 HA GLU A 609 -3.595 -7.332 -2.015 1.00 3.00 H new ATOM 0 HB2 GLU A 609 -3.492 -6.460 -4.761 1.00 4.28 H new ATOM 0 HB3 GLU A 609 -2.028 -7.368 -4.439 1.00 4.28 H new ATOM 0 HG2 GLU A 609 -4.828 -8.400 -3.832 1.00 4.90 H new ATOM 0 HG3 GLU A 609 -3.963 -8.739 -5.318 1.00 4.90 H new ATOM 1207 N ILE A 610 -1.003 -7.705 -1.715 1.00 1.89 N ATOM 1208 CA ILE A 610 0.459 -7.842 -1.756 1.00 2.10 C ATOM 1209 C ILE A 610 0.821 -7.973 -3.240 1.00 1.85 C ATOM 1210 O ILE A 610 0.188 -8.734 -3.983 1.00 2.93 O ATOM 1211 CB ILE A 610 0.999 -8.991 -0.867 1.00 3.12 C ATOM 1212 CG1 ILE A 610 0.986 -8.642 0.642 1.00 4.32 C ATOM 1213 CG2 ILE A 610 2.460 -9.349 -1.229 1.00 3.60 C ATOM 1214 CD1 ILE A 610 -0.384 -8.307 1.243 1.00 5.33 C ATOM 0 H ILE A 610 -1.504 -8.511 -1.341 1.00 1.89 H new ATOM 0 HA ILE A 610 0.947 -6.970 -1.320 1.00 2.10 H new ATOM 0 HB ILE A 610 0.329 -9.830 -1.057 1.00 3.12 H new ATOM 0 HG12 ILE A 610 1.406 -9.484 1.193 1.00 4.32 H new ATOM 0 HG13 ILE A 610 1.649 -7.792 0.804 1.00 4.32 H new ATOM 0 HG21 ILE A 610 2.806 -10.158 -0.586 1.00 3.60 H new ATOM 0 HG22 ILE A 610 2.509 -9.667 -2.271 1.00 3.60 H new ATOM 0 HG23 ILE A 610 3.095 -8.475 -1.086 1.00 3.60 H new ATOM 0 HD11 ILE A 610 -0.271 -8.079 2.303 1.00 5.33 H new ATOM 0 HD12 ILE A 610 -0.805 -7.443 0.729 1.00 5.33 H new ATOM 0 HD13 ILE A 610 -1.052 -9.160 1.125 1.00 5.33 H new ATOM 1226 N CYS A 611 1.783 -7.169 -3.679 1.00 1.95 N ATOM 1227 CA CYS A 611 2.096 -6.934 -5.086 1.00 2.26 C ATOM 1228 C CYS A 611 3.595 -6.620 -5.274 1.00 1.82 C ATOM 1229 O CYS A 611 4.416 -6.903 -4.400 1.00 2.87 O ATOM 1230 CB CYS A 611 1.154 -5.820 -5.585 1.00 3.91 C ATOM 1231 SG CYS A 611 1.244 -4.319 -4.567 1.00 5.47 S ATOM 0 H CYS A 611 2.387 -6.645 -3.045 1.00 1.95 H new ATOM 0 HA CYS A 611 1.926 -7.826 -5.690 1.00 2.26 H new ATOM 0 HB2 CYS A 611 1.406 -5.571 -6.616 1.00 3.91 H new ATOM 0 HB3 CYS A 611 0.129 -6.191 -5.589 1.00 3.91 H new ATOM 0 HG CYS A 611 0.490 -4.460 -3.518 1.00 5.47 H new ATOM 1237 N LEU A 612 3.962 -6.024 -6.414 1.00 1.86 N ATOM 1238 CA LEU A 612 5.304 -5.563 -6.804 1.00 1.60 C ATOM 1239 C LEU A 612 6.285 -6.698 -7.133 1.00 1.68 C ATOM 1240 O LEU A 612 6.794 -6.750 -8.255 1.00 1.87 O ATOM 1241 CB LEU A 612 5.820 -4.553 -5.752 1.00 1.68 C ATOM 1242 CG LEU A 612 6.874 -3.525 -6.187 1.00 2.03 C ATOM 1243 CD1 LEU A 612 8.243 -4.076 -6.545 1.00 3.21 C ATOM 1244 CD2 LEU A 612 6.392 -2.677 -7.353 1.00 1.63 C ATOM 0 H LEU A 612 3.277 -5.836 -7.146 1.00 1.86 H new ATOM 0 HA LEU A 612 5.225 -5.042 -7.758 1.00 1.60 H new ATOM 0 HB2 LEU A 612 4.960 -4.005 -5.367 1.00 1.68 H new ATOM 0 HB3 LEU A 612 6.234 -5.122 -4.920 1.00 1.68 H new ATOM 0 HG LEU A 612 7.002 -2.929 -5.283 1.00 2.03 H new ATOM 0 HD11 LEU A 612 8.900 -3.257 -6.836 1.00 3.21 H new ATOM 0 HD12 LEU A 612 8.665 -4.591 -5.682 1.00 3.21 H new ATOM 0 HD13 LEU A 612 8.148 -4.777 -7.375 1.00 3.21 H new ATOM 0 HD21 LEU A 612 7.168 -1.963 -7.629 1.00 1.63 H new ATOM 0 HD22 LEU A 612 6.172 -3.321 -8.205 1.00 1.63 H new ATOM 0 HD23 LEU A 612 5.490 -2.138 -7.063 1.00 1.63 H new ATOM 1256 N LEU A 613 6.480 -7.640 -6.209 1.00 1.81 N ATOM 1257 CA LEU A 613 7.135 -8.938 -6.444 1.00 2.06 C ATOM 1258 C LEU A 613 6.136 -10.094 -6.664 1.00 1.92 C ATOM 1259 O LEU A 613 6.525 -11.219 -6.990 1.00 2.20 O ATOM 1260 CB LEU A 613 8.202 -9.206 -5.364 1.00 2.49 C ATOM 1261 CG LEU A 613 7.857 -8.898 -3.893 1.00 2.90 C ATOM 1262 CD1 LEU A 613 6.641 -9.666 -3.388 1.00 2.88 C ATOM 1263 CD2 LEU A 613 9.049 -9.268 -3.007 1.00 3.83 C ATOM 0 H LEU A 613 6.178 -7.521 -5.242 1.00 1.81 H new ATOM 0 HA LEU A 613 7.665 -8.883 -7.395 1.00 2.06 H new ATOM 0 HB2 LEU A 613 8.478 -10.259 -5.426 1.00 2.49 H new ATOM 0 HB3 LEU A 613 9.089 -8.628 -5.624 1.00 2.49 H new ATOM 0 HG LEU A 613 7.626 -7.834 -3.844 1.00 2.90 H new ATOM 0 HD11 LEU A 613 6.452 -9.404 -2.347 1.00 2.88 H new ATOM 0 HD12 LEU A 613 5.771 -9.407 -3.991 1.00 2.88 H new ATOM 0 HD13 LEU A 613 6.830 -10.737 -3.464 1.00 2.88 H new ATOM 0 HD21 LEU A 613 8.809 -9.052 -1.966 1.00 3.83 H new ATOM 0 HD22 LEU A 613 9.268 -10.330 -3.116 1.00 3.83 H new ATOM 0 HD23 LEU A 613 9.920 -8.686 -3.307 1.00 3.83 H new ATOM 1275 N THR A 614 4.838 -9.816 -6.538 1.00 1.68 N ATOM 1276 CA THR A 614 3.725 -10.763 -6.728 1.00 1.67 C ATOM 1277 C THR A 614 2.605 -10.211 -7.615 1.00 1.88 C ATOM 1278 O THR A 614 2.472 -8.993 -7.774 1.00 2.24 O ATOM 1279 CB THR A 614 3.093 -11.152 -5.382 1.00 1.88 C ATOM 1280 OG1 THR A 614 2.763 -9.994 -4.682 1.00 3.34 O ATOM 1281 CG2 THR A 614 3.964 -11.975 -4.447 1.00 2.91 C ATOM 0 H THR A 614 4.513 -8.882 -6.289 1.00 1.68 H new ATOM 0 HA THR A 614 4.171 -11.628 -7.219 1.00 1.67 H new ATOM 0 HB THR A 614 2.240 -11.772 -5.658 1.00 1.88 H new ATOM 0 HG1 THR A 614 1.791 -9.871 -4.693 1.00 3.34 H new ATOM 0 HG21 THR A 614 3.413 -12.189 -3.531 1.00 2.91 H new ATOM 0 HG22 THR A 614 4.236 -12.911 -4.934 1.00 2.91 H new ATOM 0 HG23 THR A 614 4.868 -11.416 -4.205 1.00 2.91 H new ATOM 1289 N ARG A 615 1.764 -11.118 -8.141 1.00 1.96 N ATOM 1290 CA ARG A 615 0.415 -10.860 -8.687 1.00 2.32 C ATOM 1291 C ARG A 615 -0.545 -12.026 -8.382 1.00 1.88 C ATOM 1292 O ARG A 615 -0.120 -13.181 -8.280 1.00 2.05 O ATOM 1293 CB ARG A 615 0.468 -10.573 -10.202 1.00 3.34 C ATOM 1294 CG ARG A 615 1.124 -9.218 -10.515 1.00 4.90 C ATOM 1295 CD ARG A 615 0.866 -8.703 -11.935 1.00 6.17 C ATOM 1296 NE ARG A 615 1.580 -9.486 -12.958 1.00 6.14 N ATOM 1297 CZ ARG A 615 2.097 -9.059 -14.094 1.00 7.08 C ATOM 1298 NH1 ARG A 615 2.235 -7.797 -14.380 1.00 8.05 N ATOM 1299 NH2 ARG A 615 2.483 -9.926 -14.981 1.00 7.44 N ATOM 0 H ARG A 615 2.018 -12.104 -8.201 1.00 1.96 H new ATOM 0 HA ARG A 615 0.028 -9.970 -8.192 1.00 2.32 H new ATOM 0 HB2 ARG A 615 1.023 -11.367 -10.701 1.00 3.34 H new ATOM 0 HB3 ARG A 615 -0.543 -10.587 -10.608 1.00 3.34 H new ATOM 0 HG2 ARG A 615 0.760 -8.478 -9.802 1.00 4.90 H new ATOM 0 HG3 ARG A 615 2.200 -9.305 -10.363 1.00 4.90 H new ATOM 0 HD2 ARG A 615 -0.204 -8.734 -12.140 1.00 6.17 H new ATOM 0 HD3 ARG A 615 1.173 -7.659 -12.001 1.00 6.17 H new ATOM 0 HE ARG A 615 1.688 -10.482 -12.764 1.00 6.14 H new ATOM 0 HH11 ARG A 615 1.937 -7.087 -13.711 1.00 8.05 H new ATOM 0 HH12 ARG A 615 2.641 -7.518 -15.273 1.00 8.05 H new ATOM 0 HH21 ARG A 615 2.385 -10.924 -14.795 1.00 7.44 H new ATOM 0 HH22 ARG A 615 2.884 -9.609 -15.863 1.00 7.44 H new ATOM 1313 N GLY A 616 -1.845 -11.748 -8.272 1.00 2.05 N ATOM 1314 CA GLY A 616 -2.885 -12.736 -7.941 1.00 2.10 C ATOM 1315 C GLY A 616 -4.258 -12.114 -7.651 1.00 1.72 C ATOM 1316 O GLY A 616 -4.407 -10.888 -7.662 1.00 1.99 O ATOM 0 H GLY A 616 -2.217 -10.809 -8.413 1.00 2.05 H new ATOM 0 HA2 GLY A 616 -2.982 -13.439 -8.768 1.00 2.10 H new ATOM 0 HA3 GLY A 616 -2.565 -13.310 -7.071 1.00 2.10 H new ATOM 1320 N ARG A 617 -5.268 -12.961 -7.414 1.00 1.89 N ATOM 1321 CA ARG A 617 -6.602 -12.575 -6.912 1.00 1.83 C ATOM 1322 C ARG A 617 -6.630 -12.552 -5.388 1.00 1.86 C ATOM 1323 O ARG A 617 -5.846 -13.247 -4.733 1.00 2.10 O ATOM 1324 CB ARG A 617 -7.668 -13.562 -7.426 1.00 2.19 C ATOM 1325 CG ARG A 617 -8.017 -13.405 -8.912 1.00 1.84 C ATOM 1326 CD ARG A 617 -8.510 -11.993 -9.278 1.00 1.75 C ATOM 1327 NE ARG A 617 -9.582 -11.524 -8.387 1.00 3.10 N ATOM 1328 CZ ARG A 617 -10.804 -11.999 -8.272 1.00 3.80 C ATOM 1329 NH1 ARG A 617 -11.358 -12.867 -9.063 1.00 3.67 N ATOM 1330 NH2 ARG A 617 -11.520 -11.578 -7.291 1.00 5.37 N ATOM 0 H ARG A 617 -5.181 -13.965 -7.570 1.00 1.89 H new ATOM 0 HA ARG A 617 -6.820 -11.573 -7.281 1.00 1.83 H new ATOM 0 HB2 ARG A 617 -7.316 -14.579 -7.254 1.00 2.19 H new ATOM 0 HB3 ARG A 617 -8.576 -13.435 -6.837 1.00 2.19 H new ATOM 0 HG2 ARG A 617 -7.138 -13.642 -9.511 1.00 1.84 H new ATOM 0 HG3 ARG A 617 -8.787 -14.130 -9.176 1.00 1.84 H new ATOM 0 HD2 ARG A 617 -7.673 -11.296 -9.233 1.00 1.75 H new ATOM 0 HD3 ARG A 617 -8.870 -11.992 -10.307 1.00 1.75 H new ATOM 0 HE ARG A 617 -9.350 -10.734 -7.785 1.00 3.10 H new ATOM 0 HH11 ARG A 617 -10.836 -13.240 -9.856 1.00 3.67 H new ATOM 0 HH12 ARG A 617 -12.315 -13.176 -8.891 1.00 3.67 H new ATOM 0 HH21 ARG A 617 -11.136 -10.898 -6.634 1.00 5.37 H new ATOM 0 HH22 ARG A 617 -12.472 -11.923 -7.169 1.00 5.37 H new ATOM 1344 N ARG A 618 -7.570 -11.791 -4.827 1.00 2.12 N ATOM 1345 CA ARG A 618 -7.819 -11.685 -3.380 1.00 2.30 C ATOM 1346 C ARG A 618 -9.296 -11.944 -3.047 1.00 2.73 C ATOM 1347 O ARG A 618 -10.150 -12.007 -3.934 1.00 3.44 O ATOM 1348 CB ARG A 618 -7.327 -10.294 -2.920 1.00 2.64 C ATOM 1349 CG ARG A 618 -6.823 -10.258 -1.469 1.00 3.56 C ATOM 1350 CD ARG A 618 -6.346 -8.850 -1.084 1.00 4.26 C ATOM 1351 NE ARG A 618 -5.983 -8.777 0.342 1.00 5.52 N ATOM 1352 CZ ARG A 618 -4.892 -9.264 0.899 1.00 5.89 C ATOM 1353 NH1 ARG A 618 -3.927 -9.823 0.238 1.00 5.30 N ATOM 1354 NH2 ARG A 618 -4.737 -9.254 2.183 1.00 7.39 N ATOM 0 H ARG A 618 -8.201 -11.211 -5.380 1.00 2.12 H new ATOM 0 HA ARG A 618 -7.268 -12.452 -2.835 1.00 2.30 H new ATOM 0 HB2 ARG A 618 -6.524 -9.967 -3.581 1.00 2.64 H new ATOM 0 HB3 ARG A 618 -8.141 -9.578 -3.029 1.00 2.64 H new ATOM 0 HG2 ARG A 618 -7.621 -10.572 -0.796 1.00 3.56 H new ATOM 0 HG3 ARG A 618 -6.005 -10.968 -1.347 1.00 3.56 H new ATOM 0 HD2 ARG A 618 -5.486 -8.576 -1.695 1.00 4.26 H new ATOM 0 HD3 ARG A 618 -7.132 -8.126 -1.298 1.00 4.26 H new ATOM 0 HE ARG A 618 -6.641 -8.302 0.960 1.00 5.52 H new ATOM 0 HH11 ARG A 618 -3.985 -9.906 -0.777 1.00 5.30 H new ATOM 0 HH12 ARG A 618 -3.109 -10.179 0.733 1.00 5.30 H new ATOM 0 HH21 ARG A 618 -5.466 -8.865 2.782 1.00 7.39 H new ATOM 0 HH22 ARG A 618 -3.886 -9.635 2.597 1.00 7.39 H new ATOM 1368 N THR A 619 -9.601 -12.054 -1.760 1.00 2.58 N ATOM 1369 CA THR A 619 -10.897 -11.685 -1.171 1.00 2.69 C ATOM 1370 C THR A 619 -10.688 -10.464 -0.279 1.00 1.99 C ATOM 1371 O THR A 619 -9.744 -10.433 0.514 1.00 1.80 O ATOM 1372 CB THR A 619 -11.561 -12.832 -0.390 1.00 3.30 C ATOM 1373 OG1 THR A 619 -10.677 -13.465 0.511 1.00 4.07 O ATOM 1374 CG2 THR A 619 -12.083 -13.911 -1.331 1.00 3.76 C ATOM 0 H THR A 619 -8.939 -12.412 -1.071 1.00 2.58 H new ATOM 0 HA THR A 619 -11.586 -11.454 -1.983 1.00 2.69 H new ATOM 0 HB THR A 619 -12.375 -12.365 0.164 1.00 3.30 H new ATOM 0 HG1 THR A 619 -11.149 -14.184 0.982 1.00 4.07 H new ATOM 0 HG21 THR A 619 -12.547 -14.708 -0.749 1.00 3.76 H new ATOM 0 HG22 THR A 619 -12.821 -13.479 -2.007 1.00 3.76 H new ATOM 0 HG23 THR A 619 -11.255 -14.320 -1.911 1.00 3.76 H new ATOM 1382 N ALA A 620 -11.506 -9.421 -0.440 1.00 1.89 N ATOM 1383 CA ALA A 620 -11.282 -8.132 0.213 1.00 1.46 C ATOM 1384 C ALA A 620 -12.588 -7.475 0.680 1.00 1.36 C ATOM 1385 O ALA A 620 -13.516 -7.267 -0.107 1.00 1.84 O ATOM 1386 CB ALA A 620 -10.466 -7.230 -0.718 1.00 2.35 C ATOM 0 H ALA A 620 -12.340 -9.448 -1.026 1.00 1.89 H new ATOM 0 HA ALA A 620 -10.709 -8.297 1.125 1.00 1.46 H new ATOM 0 HB1 ALA A 620 -10.296 -6.267 -0.235 1.00 2.35 H new ATOM 0 HB2 ALA A 620 -9.507 -7.702 -0.934 1.00 2.35 H new ATOM 0 HB3 ALA A 620 -11.013 -7.078 -1.649 1.00 2.35 H new ATOM 1392 N SER A 621 -12.637 -7.131 1.971 1.00 1.04 N ATOM 1393 CA SER A 621 -13.822 -6.607 2.661 1.00 1.12 C ATOM 1394 C SER A 621 -13.408 -5.552 3.698 1.00 0.97 C ATOM 1395 O SER A 621 -12.994 -5.893 4.807 1.00 0.98 O ATOM 1396 CB SER A 621 -14.575 -7.749 3.364 1.00 1.35 C ATOM 1397 OG SER A 621 -14.846 -8.842 2.503 1.00 1.97 O ATOM 0 H SER A 621 -11.827 -7.212 2.585 1.00 1.04 H new ATOM 0 HA SER A 621 -14.477 -6.146 1.922 1.00 1.12 H new ATOM 0 HB2 SER A 621 -13.986 -8.098 4.212 1.00 1.35 H new ATOM 0 HB3 SER A 621 -15.514 -7.366 3.764 1.00 1.35 H new ATOM 0 HG SER A 621 -15.324 -9.539 3.000 1.00 1.97 H new ATOM 1403 N VAL A 622 -13.439 -4.268 3.331 1.00 0.88 N ATOM 1404 CA VAL A 622 -13.158 -3.155 4.254 1.00 0.81 C ATOM 1405 C VAL A 622 -13.852 -1.844 3.830 1.00 0.76 C ATOM 1406 O VAL A 622 -13.991 -1.557 2.638 1.00 0.80 O ATOM 1407 CB VAL A 622 -11.635 -3.048 4.546 1.00 0.82 C ATOM 1408 CG1 VAL A 622 -10.644 -3.183 3.395 1.00 0.83 C ATOM 1409 CG2 VAL A 622 -11.263 -1.763 5.258 1.00 0.79 C ATOM 0 H VAL A 622 -13.660 -3.966 2.382 1.00 0.88 H new ATOM 0 HA VAL A 622 -13.616 -3.375 5.218 1.00 0.81 H new ATOM 0 HB VAL A 622 -11.526 -3.943 5.159 1.00 0.82 H new ATOM 0 HG11 VAL A 622 -9.628 -3.083 3.776 1.00 0.83 H new ATOM 0 HG12 VAL A 622 -10.761 -4.160 2.926 1.00 0.83 H new ATOM 0 HG13 VAL A 622 -10.833 -2.402 2.658 1.00 0.83 H new ATOM 0 HG21 VAL A 622 -10.188 -1.744 5.436 1.00 0.79 H new ATOM 0 HG22 VAL A 622 -11.544 -0.910 4.640 1.00 0.79 H new ATOM 0 HG23 VAL A 622 -11.789 -1.710 6.211 1.00 0.79 H new ATOM 1419 N ARG A 623 -14.287 -1.039 4.816 1.00 0.73 N ATOM 1420 CA ARG A 623 -14.953 0.271 4.661 1.00 0.70 C ATOM 1421 C ARG A 623 -14.361 1.341 5.592 1.00 0.65 C ATOM 1422 O ARG A 623 -13.665 1.025 6.555 1.00 0.62 O ATOM 1423 CB ARG A 623 -16.485 0.141 4.811 1.00 0.81 C ATOM 1424 CG ARG A 623 -17.009 -0.221 6.211 1.00 0.89 C ATOM 1425 CD ARG A 623 -17.059 -1.731 6.468 1.00 1.17 C ATOM 1426 NE ARG A 623 -17.524 -2.009 7.835 1.00 2.53 N ATOM 1427 CZ ARG A 623 -17.512 -3.178 8.444 1.00 3.73 C ATOM 1428 NH1 ARG A 623 -17.072 -4.267 7.885 1.00 4.04 N ATOM 1429 NH2 ARG A 623 -17.952 -3.299 9.657 1.00 5.16 N ATOM 0 H ARG A 623 -14.178 -1.297 5.797 1.00 0.73 H new ATOM 0 HA ARG A 623 -14.757 0.616 3.646 1.00 0.70 H new ATOM 0 HB2 ARG A 623 -16.939 1.086 4.511 1.00 0.81 H new ATOM 0 HB3 ARG A 623 -16.833 -0.617 4.110 1.00 0.81 H new ATOM 0 HG2 ARG A 623 -16.373 0.247 6.962 1.00 0.89 H new ATOM 0 HG3 ARG A 623 -18.009 0.195 6.336 1.00 0.89 H new ATOM 0 HD2 ARG A 623 -17.725 -2.206 5.748 1.00 1.17 H new ATOM 0 HD3 ARG A 623 -16.069 -2.163 6.320 1.00 1.17 H new ATOM 0 HE ARG A 623 -17.892 -1.219 8.365 1.00 2.53 H new ATOM 0 HH11 ARG A 623 -16.714 -4.241 6.930 1.00 4.04 H new ATOM 0 HH12 ARG A 623 -17.085 -5.147 8.401 1.00 4.04 H new ATOM 0 HH21 ARG A 623 -18.313 -2.484 10.152 1.00 5.16 H new ATOM 0 HH22 ARG A 623 -17.937 -4.210 10.117 1.00 5.16 H new ATOM 1443 N ALA A 624 -14.602 2.616 5.302 1.00 0.66 N ATOM 1444 CA ALA A 624 -14.065 3.734 6.078 1.00 0.60 C ATOM 1445 C ALA A 624 -14.729 3.860 7.468 1.00 0.67 C ATOM 1446 O ALA A 624 -15.954 3.948 7.576 1.00 0.82 O ATOM 1447 CB ALA A 624 -14.225 5.004 5.238 1.00 0.65 C ATOM 0 H ALA A 624 -15.181 2.907 4.514 1.00 0.66 H new ATOM 0 HA ALA A 624 -13.009 3.562 6.289 1.00 0.60 H new ATOM 0 HB1 ALA A 624 -13.833 5.858 5.791 1.00 0.65 H new ATOM 0 HB2 ALA A 624 -13.676 4.894 4.303 1.00 0.65 H new ATOM 0 HB3 ALA A 624 -15.281 5.166 5.021 1.00 0.65 H new ATOM 1453 N ASP A 625 -13.929 3.931 8.540 1.00 0.71 N ATOM 1454 CA ASP A 625 -14.427 4.145 9.916 1.00 0.89 C ATOM 1455 C ASP A 625 -14.817 5.610 10.175 1.00 0.96 C ATOM 1456 O ASP A 625 -15.500 5.948 11.141 1.00 1.25 O ATOM 1457 CB ASP A 625 -13.322 3.773 10.919 1.00 1.08 C ATOM 1458 CG ASP A 625 -13.859 3.491 12.328 1.00 1.53 C ATOM 1459 OD1 ASP A 625 -15.013 3.022 12.477 1.00 1.65 O ATOM 1460 OD2 ASP A 625 -13.160 3.806 13.320 1.00 2.85 O ATOM 0 H ASP A 625 -12.914 3.842 8.483 1.00 0.71 H new ATOM 0 HA ASP A 625 -15.312 3.520 10.037 1.00 0.89 H new ATOM 0 HB2 ASP A 625 -12.791 2.893 10.556 1.00 1.08 H new ATOM 0 HB3 ASP A 625 -12.596 4.585 10.969 1.00 1.08 H new ATOM 1465 N THR A 626 -14.281 6.486 9.333 1.00 0.80 N ATOM 1466 CA THR A 626 -14.102 7.926 9.549 1.00 0.87 C ATOM 1467 C THR A 626 -13.667 8.566 8.218 1.00 0.81 C ATOM 1468 O THR A 626 -13.372 7.842 7.266 1.00 0.77 O ATOM 1469 CB THR A 626 -13.037 8.121 10.646 1.00 0.98 C ATOM 1470 OG1 THR A 626 -12.839 9.483 10.933 1.00 1.11 O ATOM 1471 CG2 THR A 626 -11.685 7.502 10.282 1.00 0.94 C ATOM 0 H THR A 626 -13.935 6.194 8.419 1.00 0.80 H new ATOM 0 HA THR A 626 -15.026 8.403 9.875 1.00 0.87 H new ATOM 0 HB THR A 626 -13.429 7.606 11.523 1.00 0.98 H new ATOM 0 HG1 THR A 626 -12.160 9.574 11.633 1.00 1.11 H new ATOM 0 HG21 THR A 626 -10.977 7.672 11.093 1.00 0.94 H new ATOM 0 HG22 THR A 626 -11.806 6.430 10.125 1.00 0.94 H new ATOM 0 HG23 THR A 626 -11.308 7.962 9.369 1.00 0.94 H new ATOM 1479 N TYR A 627 -13.590 9.896 8.119 1.00 0.87 N ATOM 1480 CA TYR A 627 -12.992 10.576 6.964 1.00 0.84 C ATOM 1481 C TYR A 627 -11.496 10.226 6.893 1.00 0.81 C ATOM 1482 O TYR A 627 -10.718 10.512 7.812 1.00 0.93 O ATOM 1483 CB TYR A 627 -13.292 12.084 7.012 1.00 0.95 C ATOM 1484 CG TYR A 627 -12.225 12.994 6.434 1.00 1.36 C ATOM 1485 CD1 TYR A 627 -12.096 13.178 5.043 1.00 1.99 C ATOM 1486 CD2 TYR A 627 -11.362 13.670 7.313 1.00 2.55 C ATOM 1487 CE1 TYR A 627 -11.102 14.049 4.545 1.00 2.30 C ATOM 1488 CE2 TYR A 627 -10.369 14.531 6.821 1.00 3.00 C ATOM 1489 CZ TYR A 627 -10.239 14.723 5.432 1.00 2.37 C ATOM 1490 OH TYR A 627 -9.276 15.547 4.950 1.00 2.91 O ATOM 0 H TYR A 627 -13.940 10.532 8.836 1.00 0.87 H new ATOM 0 HA TYR A 627 -13.438 10.227 6.033 1.00 0.84 H new ATOM 0 HB2 TYR A 627 -14.225 12.266 6.478 1.00 0.95 H new ATOM 0 HB3 TYR A 627 -13.459 12.368 8.051 1.00 0.95 H new ATOM 0 HD1 TYR A 627 -12.753 12.657 4.362 1.00 1.99 H new ATOM 0 HD2 TYR A 627 -11.464 13.525 8.378 1.00 2.55 H new ATOM 0 HE1 TYR A 627 -11.003 14.199 3.480 1.00 2.30 H new ATOM 0 HE2 TYR A 627 -9.708 15.044 7.504 1.00 3.00 H new ATOM 0 HH TYR A 627 -8.771 15.932 5.697 1.00 2.91 H new ATOM 1500 N CYS A 628 -11.119 9.530 5.821 1.00 0.76 N ATOM 1501 CA CYS A 628 -9.870 8.787 5.713 1.00 0.67 C ATOM 1502 C CYS A 628 -9.156 9.126 4.401 1.00 0.64 C ATOM 1503 O CYS A 628 -9.730 9.006 3.313 1.00 0.63 O ATOM 1504 CB CYS A 628 -10.203 7.291 5.836 1.00 0.60 C ATOM 1505 SG CYS A 628 -8.725 6.322 6.210 1.00 2.21 S ATOM 0 H CYS A 628 -11.693 9.468 4.980 1.00 0.76 H new ATOM 0 HA CYS A 628 -9.180 9.062 6.511 1.00 0.67 H new ATOM 0 HB2 CYS A 628 -10.946 7.144 6.620 1.00 0.60 H new ATOM 0 HB3 CYS A 628 -10.648 6.937 4.906 1.00 0.60 H new ATOM 0 HG CYS A 628 -8.999 5.453 7.137 1.00 2.21 H new ATOM 1511 N ARG A 629 -7.899 9.558 4.511 1.00 0.73 N ATOM 1512 CA ARG A 629 -7.042 9.967 3.395 1.00 0.79 C ATOM 1513 C ARG A 629 -6.101 8.833 3.043 1.00 0.85 C ATOM 1514 O ARG A 629 -5.245 8.424 3.830 1.00 0.97 O ATOM 1515 CB ARG A 629 -6.311 11.275 3.730 1.00 0.99 C ATOM 1516 CG ARG A 629 -7.354 12.366 4.016 1.00 1.39 C ATOM 1517 CD ARG A 629 -7.043 13.724 3.381 1.00 1.27 C ATOM 1518 NE ARG A 629 -6.144 14.537 4.206 1.00 1.58 N ATOM 1519 CZ ARG A 629 -5.914 15.829 4.093 1.00 2.23 C ATOM 1520 NH1 ARG A 629 -6.535 16.607 3.261 1.00 2.92 N ATOM 1521 NH2 ARG A 629 -5.018 16.389 4.843 1.00 2.79 N ATOM 0 H ARG A 629 -7.431 9.636 5.414 1.00 0.73 H new ATOM 0 HA ARG A 629 -7.647 10.174 2.512 1.00 0.79 H new ATOM 0 HB2 ARG A 629 -5.664 11.135 4.596 1.00 0.99 H new ATOM 0 HB3 ARG A 629 -5.671 11.573 2.899 1.00 0.99 H new ATOM 0 HG2 ARG A 629 -8.325 12.025 3.657 1.00 1.39 H new ATOM 0 HG3 ARG A 629 -7.440 12.495 5.095 1.00 1.39 H new ATOM 0 HD2 ARG A 629 -6.591 13.568 2.402 1.00 1.27 H new ATOM 0 HD3 ARG A 629 -7.974 14.268 3.220 1.00 1.27 H new ATOM 0 HE ARG A 629 -5.642 14.049 4.948 1.00 1.58 H new ATOM 0 HH11 ARG A 629 -7.251 16.225 2.643 1.00 2.92 H new ATOM 0 HH12 ARG A 629 -6.307 17.601 3.225 1.00 2.92 H new ATOM 0 HH21 ARG A 629 -4.495 15.830 5.517 1.00 2.79 H new ATOM 0 HH22 ARG A 629 -4.836 17.389 4.760 1.00 2.79 H new ATOM 1535 N LEU A 630 -6.300 8.320 1.844 1.00 0.82 N ATOM 1536 CA LEU A 630 -5.574 7.196 1.278 1.00 0.91 C ATOM 1537 C LEU A 630 -4.578 7.682 0.236 1.00 0.91 C ATOM 1538 O LEU A 630 -4.721 8.742 -0.376 1.00 1.00 O ATOM 1539 CB LEU A 630 -6.542 6.176 0.657 1.00 0.99 C ATOM 1540 CG LEU A 630 -7.633 5.629 1.591 1.00 0.97 C ATOM 1541 CD1 LEU A 630 -8.340 4.486 0.868 1.00 1.13 C ATOM 1542 CD2 LEU A 630 -7.082 5.083 2.908 1.00 1.07 C ATOM 0 H LEU A 630 -7.005 8.692 1.207 1.00 0.82 H new ATOM 0 HA LEU A 630 -5.028 6.702 2.082 1.00 0.91 H new ATOM 0 HB2 LEU A 630 -7.026 6.640 -0.202 1.00 0.99 H new ATOM 0 HB3 LEU A 630 -5.960 5.336 0.279 1.00 0.99 H new ATOM 0 HG LEU A 630 -8.302 6.455 1.833 1.00 0.97 H new ATOM 0 HD11 LEU A 630 -9.121 4.078 1.509 1.00 1.13 H new ATOM 0 HD12 LEU A 630 -8.785 4.859 -0.054 1.00 1.13 H new ATOM 0 HD13 LEU A 630 -7.619 3.704 0.632 1.00 1.13 H new ATOM 0 HD21 LEU A 630 -7.904 4.713 3.521 1.00 1.07 H new ATOM 0 HD22 LEU A 630 -6.387 4.269 2.702 1.00 1.07 H new ATOM 0 HD23 LEU A 630 -6.561 5.878 3.442 1.00 1.07 H new ATOM 1554 N TYR A 631 -3.568 6.866 -0.005 1.00 0.88 N ATOM 1555 CA TYR A 631 -2.628 7.088 -1.082 1.00 0.91 C ATOM 1556 C TYR A 631 -2.414 5.809 -1.880 1.00 0.81 C ATOM 1557 O TYR A 631 -2.618 4.704 -1.370 1.00 0.92 O ATOM 1558 CB TYR A 631 -1.384 7.790 -0.528 1.00 1.20 C ATOM 1559 CG TYR A 631 -0.401 7.074 0.378 1.00 1.70 C ATOM 1560 CD1 TYR A 631 -0.742 6.762 1.707 1.00 3.08 C ATOM 1561 CD2 TYR A 631 0.927 6.913 -0.049 1.00 2.71 C ATOM 1562 CE1 TYR A 631 0.237 6.300 2.607 1.00 4.45 C ATOM 1563 CE2 TYR A 631 1.922 6.494 0.853 1.00 3.87 C ATOM 1564 CZ TYR A 631 1.578 6.199 2.188 1.00 4.56 C ATOM 1565 OH TYR A 631 2.549 5.894 3.084 1.00 6.01 O ATOM 0 H TYR A 631 -3.378 6.028 0.545 1.00 0.88 H new ATOM 0 HA TYR A 631 -3.018 7.777 -1.831 1.00 0.91 H new ATOM 0 HB2 TYR A 631 -0.817 8.151 -1.386 1.00 1.20 H new ATOM 0 HB3 TYR A 631 -1.733 8.668 0.016 1.00 1.20 H new ATOM 0 HD1 TYR A 631 -1.763 6.878 2.039 1.00 3.08 H new ATOM 0 HD2 TYR A 631 1.187 7.112 -1.078 1.00 2.71 H new ATOM 0 HE1 TYR A 631 -0.039 6.024 3.614 1.00 4.45 H new ATOM 0 HE2 TYR A 631 2.946 6.399 0.524 1.00 3.87 H new ATOM 0 HH TYR A 631 3.416 5.863 2.629 1.00 6.01 H new ATOM 1575 N SER A 632 -2.069 5.960 -3.157 1.00 0.80 N ATOM 1576 CA SER A 632 -1.809 4.811 -4.030 1.00 0.87 C ATOM 1577 C SER A 632 -0.539 5.042 -4.827 1.00 0.80 C ATOM 1578 O SER A 632 -0.478 5.887 -5.723 1.00 1.01 O ATOM 1579 CB SER A 632 -3.008 4.503 -4.932 1.00 1.19 C ATOM 1580 OG SER A 632 -2.814 3.264 -5.594 1.00 2.69 O ATOM 0 H SER A 632 -1.962 6.866 -3.613 1.00 0.80 H new ATOM 0 HA SER A 632 -1.661 3.929 -3.407 1.00 0.87 H new ATOM 0 HB2 SER A 632 -3.921 4.467 -4.337 1.00 1.19 H new ATOM 0 HB3 SER A 632 -3.136 5.300 -5.665 1.00 1.19 H new ATOM 0 HG SER A 632 -2.582 2.575 -4.937 1.00 2.69 H new ATOM 1586 N LEU A 633 0.496 4.286 -4.468 1.00 1.00 N ATOM 1587 CA LEU A 633 1.777 4.245 -5.159 1.00 1.07 C ATOM 1588 C LEU A 633 1.734 3.013 -6.068 1.00 1.07 C ATOM 1589 O LEU A 633 1.798 1.879 -5.590 1.00 1.34 O ATOM 1590 CB LEU A 633 2.897 4.216 -4.099 1.00 1.14 C ATOM 1591 CG LEU A 633 4.264 4.767 -4.538 1.00 1.25 C ATOM 1592 CD1 LEU A 633 5.247 4.569 -3.386 1.00 1.42 C ATOM 1593 CD2 LEU A 633 4.798 4.102 -5.802 1.00 1.48 C ATOM 0 H LEU A 633 0.462 3.665 -3.660 1.00 1.00 H new ATOM 0 HA LEU A 633 1.976 5.117 -5.782 1.00 1.07 H new ATOM 0 HB2 LEU A 633 2.562 4.784 -3.231 1.00 1.14 H new ATOM 0 HB3 LEU A 633 3.032 3.185 -3.772 1.00 1.14 H new ATOM 0 HG LEU A 633 4.144 5.823 -4.779 1.00 1.25 H new ATOM 0 HD11 LEU A 633 6.226 4.953 -3.673 1.00 1.42 H new ATOM 0 HD12 LEU A 633 4.890 5.106 -2.507 1.00 1.42 H new ATOM 0 HD13 LEU A 633 5.327 3.507 -3.155 1.00 1.42 H new ATOM 0 HD21 LEU A 633 5.765 4.534 -6.060 1.00 1.48 H new ATOM 0 HD22 LEU A 633 4.913 3.032 -5.629 1.00 1.48 H new ATOM 0 HD23 LEU A 633 4.098 4.264 -6.622 1.00 1.48 H new ATOM 1605 N SER A 634 1.547 3.225 -7.371 1.00 0.88 N ATOM 1606 CA SER A 634 1.489 2.109 -8.316 1.00 0.89 C ATOM 1607 C SER A 634 2.848 1.411 -8.428 1.00 0.92 C ATOM 1608 O SER A 634 3.902 2.048 -8.336 1.00 0.95 O ATOM 1609 CB SER A 634 1.012 2.573 -9.691 1.00 0.89 C ATOM 1610 OG SER A 634 0.899 1.435 -10.519 1.00 2.13 O ATOM 0 H SER A 634 1.434 4.147 -7.793 1.00 0.88 H new ATOM 0 HA SER A 634 0.766 1.390 -7.931 1.00 0.89 H new ATOM 0 HB2 SER A 634 0.052 3.082 -9.610 1.00 0.89 H new ATOM 0 HB3 SER A 634 1.716 3.287 -10.118 1.00 0.89 H new ATOM 0 HG SER A 634 1.287 1.630 -11.398 1.00 2.13 H new ATOM 1616 N VAL A 635 2.827 0.102 -8.715 1.00 1.04 N ATOM 1617 CA VAL A 635 4.041 -0.662 -9.049 1.00 1.26 C ATOM 1618 C VAL A 635 4.847 0.024 -10.149 1.00 1.48 C ATOM 1619 O VAL A 635 6.071 0.030 -10.089 1.00 1.70 O ATOM 1620 CB VAL A 635 3.746 -2.123 -9.451 1.00 1.60 C ATOM 1621 CG1 VAL A 635 2.874 -2.862 -8.431 1.00 1.32 C ATOM 1622 CG2 VAL A 635 3.102 -2.296 -10.819 1.00 2.55 C ATOM 0 H VAL A 635 1.973 -0.456 -8.723 1.00 1.04 H new ATOM 0 HA VAL A 635 4.632 -0.688 -8.134 1.00 1.26 H new ATOM 0 HB VAL A 635 4.744 -2.559 -9.485 1.00 1.60 H new ATOM 0 HG11 VAL A 635 2.703 -3.883 -8.771 1.00 1.32 H new ATOM 0 HG12 VAL A 635 3.380 -2.881 -7.466 1.00 1.32 H new ATOM 0 HG13 VAL A 635 1.918 -2.348 -8.329 1.00 1.32 H new ATOM 0 HG21 VAL A 635 2.934 -3.356 -11.011 1.00 2.55 H new ATOM 0 HG22 VAL A 635 2.149 -1.768 -10.842 1.00 2.55 H new ATOM 0 HG23 VAL A 635 3.761 -1.889 -11.586 1.00 2.55 H new ATOM 1632 N ASP A 636 4.152 0.692 -11.076 1.00 1.57 N ATOM 1633 CA ASP A 636 4.708 1.381 -12.238 1.00 1.95 C ATOM 1634 C ASP A 636 5.784 2.421 -11.910 1.00 1.87 C ATOM 1635 O ASP A 636 6.629 2.703 -12.759 1.00 2.24 O ATOM 1636 CB ASP A 636 3.565 2.076 -12.990 1.00 2.30 C ATOM 1637 CG ASP A 636 2.541 1.096 -13.557 1.00 2.44 C ATOM 1638 OD1 ASP A 636 2.892 0.325 -14.479 1.00 2.81 O ATOM 1639 OD2 ASP A 636 1.385 1.065 -13.076 1.00 2.86 O ATOM 0 H ASP A 636 3.136 0.769 -11.031 1.00 1.57 H new ATOM 0 HA ASP A 636 5.198 0.616 -12.840 1.00 1.95 H new ATOM 0 HB2 ASP A 636 3.062 2.769 -12.315 1.00 2.30 H new ATOM 0 HB3 ASP A 636 3.981 2.670 -13.804 1.00 2.30 H new ATOM 1644 N ASN A 637 5.741 3.020 -10.718 1.00 1.60 N ATOM 1645 CA ASN A 637 6.744 3.974 -10.232 1.00 1.58 C ATOM 1646 C ASN A 637 7.809 3.345 -9.322 1.00 1.39 C ATOM 1647 O ASN A 637 8.880 3.919 -9.147 1.00 1.61 O ATOM 1648 CB ASN A 637 6.009 5.137 -9.550 1.00 1.71 C ATOM 1649 CG ASN A 637 4.856 5.610 -10.405 1.00 1.85 C ATOM 1650 OD1 ASN A 637 3.697 5.365 -10.110 1.00 2.52 O ATOM 1651 ND2 ASN A 637 5.128 6.238 -11.521 1.00 1.92 N ATOM 0 H ASN A 637 4.991 2.852 -10.047 1.00 1.60 H new ATOM 0 HA ASN A 637 7.312 4.341 -11.087 1.00 1.58 H new ATOM 0 HB2 ASN A 637 5.640 4.819 -8.575 1.00 1.71 H new ATOM 0 HB3 ASN A 637 6.702 5.960 -9.376 1.00 1.71 H new ATOM 0 HD21 ASN A 637 4.372 6.522 -12.144 1.00 1.92 H new ATOM 0 HD22 ASN A 637 6.096 6.443 -11.768 1.00 1.92 H new ATOM 1658 N PHE A 638 7.500 2.186 -8.736 1.00 1.14 N ATOM 1659 CA PHE A 638 8.245 1.468 -7.696 1.00 1.07 C ATOM 1660 C PHE A 638 9.243 0.471 -8.321 1.00 1.04 C ATOM 1661 O PHE A 638 10.430 0.481 -7.992 1.00 1.02 O ATOM 1662 CB PHE A 638 7.166 0.858 -6.781 1.00 1.25 C ATOM 1663 CG PHE A 638 7.504 0.089 -5.509 1.00 1.19 C ATOM 1664 CD1 PHE A 638 8.784 -0.429 -5.214 1.00 1.75 C ATOM 1665 CD2 PHE A 638 6.446 -0.160 -4.610 1.00 2.30 C ATOM 1666 CE1 PHE A 638 8.989 -1.206 -4.061 1.00 1.73 C ATOM 1667 CE2 PHE A 638 6.652 -0.928 -3.451 1.00 2.63 C ATOM 1668 CZ PHE A 638 7.920 -1.464 -3.184 1.00 1.73 C ATOM 0 H PHE A 638 6.652 1.683 -8.998 1.00 1.14 H new ATOM 0 HA PHE A 638 8.893 2.106 -7.095 1.00 1.07 H new ATOM 0 HB2 PHE A 638 6.511 1.677 -6.484 1.00 1.25 H new ATOM 0 HB3 PHE A 638 6.575 0.186 -7.403 1.00 1.25 H new ATOM 0 HD1 PHE A 638 9.611 -0.227 -5.879 1.00 1.75 H new ATOM 0 HD2 PHE A 638 5.466 0.244 -4.815 1.00 2.30 H new ATOM 0 HE1 PHE A 638 9.969 -1.606 -3.848 1.00 1.73 H new ATOM 0 HE2 PHE A 638 5.835 -1.105 -2.767 1.00 2.63 H new ATOM 0 HZ PHE A 638 8.076 -2.074 -2.306 1.00 1.73 H new ATOM 1678 N ASN A 639 8.824 -0.322 -9.309 1.00 1.10 N ATOM 1679 CA ASN A 639 9.708 -1.227 -10.041 1.00 1.17 C ATOM 1680 C ASN A 639 10.698 -0.525 -10.981 1.00 1.15 C ATOM 1681 O ASN A 639 11.708 -1.105 -11.377 1.00 1.21 O ATOM 1682 CB ASN A 639 8.834 -2.247 -10.764 1.00 1.25 C ATOM 1683 CG ASN A 639 7.793 -1.727 -11.745 1.00 2.56 C ATOM 1684 OD1 ASN A 639 7.961 -0.703 -12.395 1.00 4.63 O ATOM 1685 ND2 ASN A 639 6.702 -2.445 -11.888 1.00 2.37 N ATOM 0 H ASN A 639 7.855 -0.353 -9.625 1.00 1.10 H new ATOM 0 HA ASN A 639 10.360 -1.726 -9.324 1.00 1.17 H new ATOM 0 HB2 ASN A 639 9.492 -2.927 -11.305 1.00 1.25 H new ATOM 0 HB3 ASN A 639 8.316 -2.838 -10.009 1.00 1.25 H new ATOM 0 HD21 ASN A 639 5.981 -2.152 -12.547 1.00 2.37 H new ATOM 0 HD22 ASN A 639 6.576 -3.296 -11.340 1.00 2.37 H new ATOM 1692 N GLU A 640 10.438 0.737 -11.296 1.00 1.14 N ATOM 1693 CA GLU A 640 11.424 1.664 -11.861 1.00 1.35 C ATOM 1694 C GLU A 640 12.594 1.930 -10.902 1.00 1.44 C ATOM 1695 O GLU A 640 13.759 1.838 -11.285 1.00 1.69 O ATOM 1696 CB GLU A 640 10.746 3.016 -12.131 1.00 1.70 C ATOM 1697 CG GLU A 640 9.839 3.064 -13.360 1.00 1.51 C ATOM 1698 CD GLU A 640 10.572 2.667 -14.637 1.00 2.26 C ATOM 1699 OE1 GLU A 640 11.299 3.495 -15.236 1.00 3.13 O ATOM 1700 OE2 GLU A 640 10.444 1.491 -15.053 1.00 3.30 O ATOM 0 H GLU A 640 9.518 1.159 -11.165 1.00 1.14 H new ATOM 0 HA GLU A 640 11.808 1.204 -12.772 1.00 1.35 H new ATOM 0 HB2 GLU A 640 10.157 3.288 -11.255 1.00 1.70 H new ATOM 0 HB3 GLU A 640 11.520 3.775 -12.243 1.00 1.70 H new ATOM 0 HG2 GLU A 640 8.990 2.397 -13.209 1.00 1.51 H new ATOM 0 HG3 GLU A 640 9.437 4.071 -13.473 1.00 1.51 H new ATOM 1707 N VAL A 641 12.278 2.281 -9.655 1.00 1.33 N ATOM 1708 CA VAL A 641 13.235 2.858 -8.689 1.00 1.34 C ATOM 1709 C VAL A 641 14.026 1.808 -7.922 1.00 1.43 C ATOM 1710 O VAL A 641 15.164 2.065 -7.536 1.00 1.57 O ATOM 1711 CB VAL A 641 12.535 3.877 -7.780 1.00 1.18 C ATOM 1712 CG1 VAL A 641 11.338 3.297 -7.052 1.00 1.08 C ATOM 1713 CG2 VAL A 641 13.419 4.522 -6.719 1.00 1.16 C ATOM 0 H VAL A 641 11.338 2.174 -9.274 1.00 1.33 H new ATOM 0 HA VAL A 641 13.991 3.396 -9.261 1.00 1.34 H new ATOM 0 HB VAL A 641 12.232 4.641 -8.496 1.00 1.18 H new ATOM 0 HG11 VAL A 641 10.886 4.066 -6.425 1.00 1.08 H new ATOM 0 HG12 VAL A 641 10.606 2.944 -7.779 1.00 1.08 H new ATOM 0 HG13 VAL A 641 11.660 2.464 -6.428 1.00 1.08 H new ATOM 0 HG21 VAL A 641 12.828 5.225 -6.131 1.00 1.16 H new ATOM 0 HG22 VAL A 641 13.822 3.750 -6.063 1.00 1.16 H new ATOM 0 HG23 VAL A 641 14.239 5.053 -7.202 1.00 1.16 H new ATOM 1723 N LEU A 642 13.494 0.586 -7.834 1.00 1.38 N ATOM 1724 CA LEU A 642 14.276 -0.630 -7.542 1.00 1.40 C ATOM 1725 C LEU A 642 15.620 -0.654 -8.289 1.00 1.58 C ATOM 1726 O LEU A 642 16.651 -1.032 -7.738 1.00 1.69 O ATOM 1727 CB LEU A 642 13.475 -1.867 -8.000 1.00 1.15 C ATOM 1728 CG LEU A 642 12.425 -2.447 -7.038 1.00 1.20 C ATOM 1729 CD1 LEU A 642 11.955 -3.794 -7.591 1.00 1.38 C ATOM 1730 CD2 LEU A 642 12.966 -2.723 -5.639 1.00 2.20 C ATOM 0 H LEU A 642 12.499 0.406 -7.964 1.00 1.38 H new ATOM 0 HA LEU A 642 14.468 -0.638 -6.469 1.00 1.40 H new ATOM 0 HB2 LEU A 642 12.969 -1.611 -8.931 1.00 1.15 H new ATOM 0 HB3 LEU A 642 14.188 -2.658 -8.232 1.00 1.15 H new ATOM 0 HG LEU A 642 11.631 -1.704 -6.962 1.00 1.20 H new ATOM 0 HD11 LEU A 642 11.209 -4.222 -6.921 1.00 1.38 H new ATOM 0 HD12 LEU A 642 11.516 -3.649 -8.578 1.00 1.38 H new ATOM 0 HD13 LEU A 642 12.805 -4.472 -7.668 1.00 1.38 H new ATOM 0 HD21 LEU A 642 12.171 -3.131 -5.015 1.00 2.20 H new ATOM 0 HD22 LEU A 642 13.783 -3.442 -5.700 1.00 2.20 H new ATOM 0 HD23 LEU A 642 13.331 -1.794 -5.200 1.00 2.20 H new ATOM 1742 N GLU A 643 15.589 -0.251 -9.557 1.00 1.64 N ATOM 1743 CA GLU A 643 16.727 -0.291 -10.473 1.00 1.77 C ATOM 1744 C GLU A 643 17.566 0.995 -10.451 1.00 1.48 C ATOM 1745 O GLU A 643 18.680 0.978 -10.959 1.00 1.54 O ATOM 1746 CB GLU A 643 16.204 -0.581 -11.886 1.00 1.99 C ATOM 1747 CG GLU A 643 15.400 -1.878 -12.004 1.00 2.73 C ATOM 1748 CD GLU A 643 16.133 -2.946 -12.808 1.00 3.36 C ATOM 1749 OE1 GLU A 643 17.202 -3.445 -12.381 1.00 4.41 O ATOM 1750 OE2 GLU A 643 15.634 -3.317 -13.895 1.00 3.41 O ATOM 0 H GLU A 643 14.745 0.124 -9.989 1.00 1.64 H new ATOM 0 HA GLU A 643 17.399 -1.084 -10.145 1.00 1.77 H new ATOM 0 HB2 GLU A 643 15.578 0.252 -12.208 1.00 1.99 H new ATOM 0 HB3 GLU A 643 17.050 -0.627 -12.572 1.00 1.99 H new ATOM 0 HG2 GLU A 643 15.186 -2.261 -11.006 1.00 2.73 H new ATOM 0 HG3 GLU A 643 14.441 -1.666 -12.477 1.00 2.73 H new ATOM 1757 N GLU A 644 17.107 2.097 -9.845 1.00 1.27 N ATOM 1758 CA GLU A 644 17.926 3.313 -9.684 1.00 1.17 C ATOM 1759 C GLU A 644 18.970 3.173 -8.565 1.00 1.25 C ATOM 1760 O GLU A 644 19.949 3.924 -8.512 1.00 1.33 O ATOM 1761 CB GLU A 644 16.999 4.498 -9.400 1.00 1.09 C ATOM 1762 CG GLU A 644 16.171 4.917 -10.615 1.00 1.11 C ATOM 1763 CD GLU A 644 16.593 6.296 -11.121 1.00 1.49 C ATOM 1764 OE1 GLU A 644 16.066 7.318 -10.616 1.00 2.65 O ATOM 1765 OE2 GLU A 644 17.488 6.380 -11.999 1.00 1.57 O ATOM 0 H GLU A 644 16.168 2.175 -9.455 1.00 1.27 H new ATOM 0 HA GLU A 644 18.479 3.476 -10.609 1.00 1.17 H new ATOM 0 HB2 GLU A 644 16.327 4.238 -8.582 1.00 1.09 H new ATOM 0 HB3 GLU A 644 17.596 5.346 -9.065 1.00 1.09 H new ATOM 0 HG2 GLU A 644 16.291 4.182 -11.411 1.00 1.11 H new ATOM 0 HG3 GLU A 644 15.114 4.931 -10.351 1.00 1.11 H new ATOM 1772 N TYR A 645 18.756 2.186 -7.695 1.00 1.32 N ATOM 1773 CA TYR A 645 19.590 1.796 -6.561 1.00 1.39 C ATOM 1774 C TYR A 645 19.735 0.268 -6.613 1.00 1.45 C ATOM 1775 O TYR A 645 19.177 -0.414 -5.755 1.00 1.62 O ATOM 1776 CB TYR A 645 18.943 2.287 -5.248 1.00 1.47 C ATOM 1777 CG TYR A 645 18.616 3.766 -5.242 1.00 1.33 C ATOM 1778 CD1 TYR A 645 17.466 4.210 -5.915 1.00 1.58 C ATOM 1779 CD2 TYR A 645 19.477 4.693 -4.631 1.00 2.70 C ATOM 1780 CE1 TYR A 645 17.231 5.580 -6.089 1.00 1.64 C ATOM 1781 CE2 TYR A 645 19.223 6.073 -4.757 1.00 2.59 C ATOM 1782 CZ TYR A 645 18.117 6.517 -5.517 1.00 1.18 C ATOM 1783 OH TYR A 645 17.921 7.841 -5.735 1.00 1.20 O ATOM 0 H TYR A 645 17.930 1.593 -7.772 1.00 1.32 H new ATOM 0 HA TYR A 645 20.580 2.249 -6.605 1.00 1.39 H new ATOM 0 HB2 TYR A 645 18.028 1.722 -5.071 1.00 1.47 H new ATOM 0 HB3 TYR A 645 19.617 2.070 -4.419 1.00 1.47 H new ATOM 0 HD1 TYR A 645 16.759 3.491 -6.301 1.00 1.58 H new ATOM 0 HD2 TYR A 645 20.331 4.349 -4.066 1.00 2.70 H new ATOM 0 HE1 TYR A 645 16.377 5.917 -6.658 1.00 1.64 H new ATOM 0 HE2 TYR A 645 19.871 6.789 -4.274 1.00 2.59 H new ATOM 0 HH TYR A 645 18.615 8.355 -5.272 1.00 1.20 H new ATOM 1793 N PRO A 646 20.374 -0.303 -7.656 1.00 1.35 N ATOM 1794 CA PRO A 646 20.195 -1.699 -8.074 1.00 1.39 C ATOM 1795 C PRO A 646 20.535 -2.782 -7.039 1.00 1.28 C ATOM 1796 O PRO A 646 20.181 -3.946 -7.262 1.00 1.32 O ATOM 1797 CB PRO A 646 21.023 -1.857 -9.356 1.00 1.46 C ATOM 1798 CG PRO A 646 22.024 -0.707 -9.298 1.00 1.31 C ATOM 1799 CD PRO A 646 21.204 0.390 -8.630 1.00 1.31 C ATOM 0 HA PRO A 646 19.129 -1.871 -8.222 1.00 1.39 H new ATOM 0 HB2 PRO A 646 21.527 -2.823 -9.388 1.00 1.46 H new ATOM 0 HB3 PRO A 646 20.396 -1.795 -10.245 1.00 1.46 H new ATOM 0 HG2 PRO A 646 22.910 -0.965 -8.718 1.00 1.31 H new ATOM 0 HG3 PRO A 646 22.367 -0.414 -10.290 1.00 1.31 H new ATOM 0 HD2 PRO A 646 21.847 1.126 -8.148 1.00 1.31 H new ATOM 0 HD3 PRO A 646 20.595 0.926 -9.358 1.00 1.31 H new ATOM 1807 N MET A 647 21.132 -2.449 -5.887 1.00 1.20 N ATOM 1808 CA MET A 647 21.180 -3.381 -4.751 1.00 1.19 C ATOM 1809 C MET A 647 19.759 -3.719 -4.243 1.00 1.14 C ATOM 1810 O MET A 647 19.483 -4.839 -3.828 1.00 1.21 O ATOM 1811 CB MET A 647 22.085 -2.809 -3.648 1.00 1.24 C ATOM 1812 CG MET A 647 21.352 -1.699 -2.912 1.00 1.69 C ATOM 1813 SD MET A 647 22.226 -0.821 -1.612 1.00 1.57 S ATOM 1814 CE MET A 647 20.701 -0.194 -0.871 1.00 1.35 C ATOM 0 H MET A 647 21.584 -1.551 -5.717 1.00 1.20 H new ATOM 0 HA MET A 647 21.615 -4.325 -5.079 1.00 1.19 H new ATOM 0 HB2 MET A 647 22.367 -3.597 -2.950 1.00 1.24 H new ATOM 0 HB3 MET A 647 23.007 -2.423 -4.083 1.00 1.24 H new ATOM 0 HG2 MET A 647 21.031 -0.965 -3.651 1.00 1.69 H new ATOM 0 HG3 MET A 647 20.450 -2.128 -2.476 1.00 1.69 H new ATOM 0 HE1 MET A 647 20.941 0.386 0.020 1.00 1.35 H new ATOM 0 HE2 MET A 647 20.182 0.441 -1.589 1.00 1.35 H new ATOM 0 HE3 MET A 647 20.059 -1.031 -0.597 1.00 1.35 H new ATOM 1824 N MET A 648 18.832 -2.760 -4.339 1.00 1.06 N ATOM 1825 CA MET A 648 17.447 -2.847 -3.878 1.00 1.04 C ATOM 1826 C MET A 648 16.603 -3.708 -4.815 1.00 1.08 C ATOM 1827 O MET A 648 15.790 -4.496 -4.338 1.00 1.10 O ATOM 1828 CB MET A 648 16.845 -1.436 -3.726 1.00 1.00 C ATOM 1829 CG MET A 648 17.606 -0.503 -2.777 1.00 1.27 C ATOM 1830 SD MET A 648 17.180 -0.580 -1.016 1.00 1.69 S ATOM 1831 CE MET A 648 17.539 -2.298 -0.558 1.00 2.04 C ATOM 0 H MET A 648 19.041 -1.856 -4.763 1.00 1.06 H new ATOM 0 HA MET A 648 17.442 -3.330 -2.901 1.00 1.04 H new ATOM 0 HB2 MET A 648 16.799 -0.969 -4.710 1.00 1.00 H new ATOM 0 HB3 MET A 648 15.819 -1.532 -3.371 1.00 1.00 H new ATOM 0 HG2 MET A 648 18.670 -0.716 -2.876 1.00 1.27 H new ATOM 0 HG3 MET A 648 17.453 0.521 -3.117 1.00 1.27 H new ATOM 0 HE1 MET A 648 17.729 -2.357 0.514 1.00 2.04 H new ATOM 0 HE2 MET A 648 16.686 -2.928 -0.810 1.00 2.04 H new ATOM 0 HE3 MET A 648 18.418 -2.644 -1.102 1.00 2.04 H new ATOM 1841 N ARG A 649 16.861 -3.667 -6.131 1.00 1.15 N ATOM 1842 CA ARG A 649 16.355 -4.684 -7.064 1.00 1.24 C ATOM 1843 C ARG A 649 16.767 -6.078 -6.599 1.00 1.35 C ATOM 1844 O ARG A 649 15.894 -6.894 -6.343 1.00 1.44 O ATOM 1845 CB ARG A 649 16.797 -4.371 -8.501 1.00 1.31 C ATOM 1846 CG ARG A 649 16.266 -5.378 -9.544 1.00 1.51 C ATOM 1847 CD ARG A 649 17.345 -6.354 -10.037 1.00 1.97 C ATOM 1848 NE ARG A 649 18.414 -5.628 -10.743 1.00 3.35 N ATOM 1849 CZ ARG A 649 19.718 -5.787 -10.612 1.00 4.97 C ATOM 1850 NH1 ARG A 649 20.277 -6.722 -9.896 1.00 5.66 N ATOM 1851 NH2 ARG A 649 20.530 -4.971 -11.205 1.00 6.42 N ATOM 0 H ARG A 649 17.419 -2.937 -6.574 1.00 1.15 H new ATOM 0 HA ARG A 649 15.265 -4.663 -7.068 1.00 1.24 H new ATOM 0 HB2 ARG A 649 16.456 -3.371 -8.767 1.00 1.31 H new ATOM 0 HB3 ARG A 649 17.886 -4.358 -8.543 1.00 1.31 H new ATOM 0 HG2 ARG A 649 15.443 -5.944 -9.108 1.00 1.51 H new ATOM 0 HG3 ARG A 649 15.861 -4.831 -10.396 1.00 1.51 H new ATOM 0 HD2 ARG A 649 17.765 -6.899 -9.191 1.00 1.97 H new ATOM 0 HD3 ARG A 649 16.899 -7.093 -10.702 1.00 1.97 H new ATOM 0 HE ARG A 649 18.112 -4.919 -11.411 1.00 3.35 H new ATOM 0 HH11 ARG A 649 19.698 -7.392 -9.390 1.00 5.66 H new ATOM 0 HH12 ARG A 649 21.294 -6.783 -9.841 1.00 5.66 H new ATOM 0 HH21 ARG A 649 20.162 -4.207 -11.772 1.00 6.42 H new ATOM 0 HH22 ARG A 649 21.538 -5.092 -11.105 1.00 6.42 H new ATOM 1865 N ARG A 650 18.060 -6.346 -6.380 1.00 1.39 N ATOM 1866 CA ARG A 650 18.554 -7.640 -5.881 1.00 1.51 C ATOM 1867 C ARG A 650 17.912 -8.036 -4.548 1.00 1.49 C ATOM 1868 O ARG A 650 17.523 -9.188 -4.380 1.00 1.58 O ATOM 1869 CB ARG A 650 20.090 -7.576 -5.822 1.00 1.68 C ATOM 1870 CG ARG A 650 20.745 -8.862 -5.302 1.00 1.85 C ATOM 1871 CD ARG A 650 20.912 -8.918 -3.776 1.00 2.31 C ATOM 1872 NE ARG A 650 21.877 -7.910 -3.312 1.00 2.96 N ATOM 1873 CZ ARG A 650 21.722 -7.013 -2.362 1.00 4.28 C ATOM 1874 NH1 ARG A 650 20.751 -7.015 -1.499 1.00 5.07 N ATOM 1875 NH2 ARG A 650 22.579 -6.050 -2.274 1.00 5.46 N ATOM 0 H ARG A 650 18.802 -5.666 -6.545 1.00 1.39 H new ATOM 0 HA ARG A 650 18.261 -8.436 -6.566 1.00 1.51 H new ATOM 0 HB2 ARG A 650 20.474 -7.362 -6.819 1.00 1.68 H new ATOM 0 HB3 ARG A 650 20.385 -6.745 -5.182 1.00 1.68 H new ATOM 0 HG2 ARG A 650 20.146 -9.715 -5.621 1.00 1.85 H new ATOM 0 HG3 ARG A 650 21.725 -8.969 -5.767 1.00 1.85 H new ATOM 0 HD2 ARG A 650 19.948 -8.752 -3.295 1.00 2.31 H new ATOM 0 HD3 ARG A 650 21.249 -9.912 -3.480 1.00 2.31 H new ATOM 0 HE ARG A 650 22.780 -7.906 -3.786 1.00 2.96 H new ATOM 0 HH11 ARG A 650 20.042 -7.748 -1.531 1.00 5.07 H new ATOM 0 HH12 ARG A 650 20.698 -6.284 -0.790 1.00 5.07 H new ATOM 0 HH21 ARG A 650 23.356 -5.997 -2.933 1.00 5.46 H new ATOM 0 HH22 ARG A 650 22.479 -5.343 -1.545 1.00 5.46 H new ATOM 1889 N ALA A 651 17.745 -7.080 -3.635 1.00 1.39 N ATOM 1890 CA ALA A 651 17.076 -7.258 -2.343 1.00 1.40 C ATOM 1891 C ALA A 651 15.616 -7.749 -2.476 1.00 1.39 C ATOM 1892 O ALA A 651 15.118 -8.421 -1.573 1.00 1.46 O ATOM 1893 CB ALA A 651 17.146 -5.931 -1.571 1.00 1.34 C ATOM 0 H ALA A 651 18.082 -6.128 -3.777 1.00 1.39 H new ATOM 0 HA ALA A 651 17.597 -8.044 -1.795 1.00 1.40 H new ATOM 0 HB1 ALA A 651 16.652 -6.045 -0.606 1.00 1.34 H new ATOM 0 HB2 ALA A 651 18.189 -5.655 -1.415 1.00 1.34 H new ATOM 0 HB3 ALA A 651 16.646 -5.150 -2.144 1.00 1.34 H new ATOM 1899 N PHE A 652 14.951 -7.466 -3.604 1.00 1.33 N ATOM 1900 CA PHE A 652 13.641 -8.007 -3.989 1.00 1.38 C ATOM 1901 C PHE A 652 13.757 -9.307 -4.809 1.00 1.57 C ATOM 1902 O PHE A 652 13.064 -10.282 -4.521 1.00 1.75 O ATOM 1903 CB PHE A 652 12.862 -6.939 -4.773 1.00 1.26 C ATOM 1904 CG PHE A 652 12.089 -5.938 -3.931 1.00 1.12 C ATOM 1905 CD1 PHE A 652 12.757 -5.090 -3.027 1.00 2.07 C ATOM 1906 CD2 PHE A 652 10.696 -5.822 -4.092 1.00 1.93 C ATOM 1907 CE1 PHE A 652 12.040 -4.123 -2.300 1.00 1.99 C ATOM 1908 CE2 PHE A 652 9.978 -4.856 -3.364 1.00 2.04 C ATOM 1909 CZ PHE A 652 10.652 -3.998 -2.482 1.00 1.16 C ATOM 0 H PHE A 652 15.328 -6.826 -4.303 1.00 1.33 H new ATOM 0 HA PHE A 652 13.103 -8.264 -3.077 1.00 1.38 H new ATOM 0 HB2 PHE A 652 13.564 -6.392 -5.402 1.00 1.26 H new ATOM 0 HB3 PHE A 652 12.162 -7.442 -5.440 1.00 1.26 H new ATOM 0 HD1 PHE A 652 13.824 -5.183 -2.891 1.00 2.07 H new ATOM 0 HD2 PHE A 652 10.177 -6.476 -4.776 1.00 1.93 H new ATOM 0 HE1 PHE A 652 12.555 -3.478 -1.603 1.00 1.99 H new ATOM 0 HE2 PHE A 652 8.908 -4.775 -3.484 1.00 2.04 H new ATOM 0 HZ PHE A 652 10.103 -3.240 -1.942 1.00 1.16 H new ATOM 1919 N GLU A 653 14.666 -9.386 -5.786 1.00 1.66 N ATOM 1920 CA GLU A 653 14.840 -10.580 -6.631 1.00 1.89 C ATOM 1921 C GLU A 653 15.294 -11.827 -5.847 1.00 2.01 C ATOM 1922 O GLU A 653 15.079 -12.951 -6.310 1.00 2.20 O ATOM 1923 CB GLU A 653 15.846 -10.315 -7.768 1.00 2.09 C ATOM 1924 CG GLU A 653 15.491 -9.188 -8.750 1.00 1.97 C ATOM 1925 CD GLU A 653 14.069 -9.270 -9.308 1.00 2.55 C ATOM 1926 OE1 GLU A 653 13.713 -10.268 -9.979 1.00 2.83 O ATOM 1927 OE2 GLU A 653 13.265 -8.343 -9.079 1.00 3.79 O ATOM 0 H GLU A 653 15.305 -8.625 -6.016 1.00 1.66 H new ATOM 0 HA GLU A 653 13.852 -10.787 -7.042 1.00 1.89 H new ATOM 0 HB2 GLU A 653 16.813 -10.086 -7.321 1.00 2.09 H new ATOM 0 HB3 GLU A 653 15.968 -11.237 -8.337 1.00 2.09 H new ATOM 0 HG2 GLU A 653 15.618 -8.229 -8.247 1.00 1.97 H new ATOM 0 HG3 GLU A 653 16.197 -9.208 -9.580 1.00 1.97 H new ATOM 1934 N THR A 654 15.901 -11.661 -4.666 1.00 1.95 N ATOM 1935 CA THR A 654 16.303 -12.772 -3.780 1.00 2.11 C ATOM 1936 C THR A 654 15.119 -13.329 -2.990 1.00 2.20 C ATOM 1937 O THR A 654 14.905 -14.542 -2.927 1.00 2.54 O ATOM 1938 CB THR A 654 17.453 -12.364 -2.849 1.00 2.07 C ATOM 1939 OG1 THR A 654 17.819 -13.480 -2.078 1.00 2.36 O ATOM 1940 CG2 THR A 654 17.099 -11.256 -1.861 1.00 1.83 C ATOM 0 H THR A 654 16.132 -10.742 -4.289 1.00 1.95 H new ATOM 0 HA THR A 654 16.668 -13.574 -4.422 1.00 2.11 H new ATOM 0 HB THR A 654 18.247 -11.996 -3.499 1.00 2.07 H new ATOM 0 HG1 THR A 654 18.555 -13.236 -1.478 1.00 2.36 H new ATOM 0 HG21 THR A 654 17.967 -11.029 -1.242 1.00 1.83 H new ATOM 0 HG22 THR A 654 16.800 -10.362 -2.409 1.00 1.83 H new ATOM 0 HG23 THR A 654 16.276 -11.584 -1.226 1.00 1.83 H new ATOM 1948 N VAL A 655 14.308 -12.431 -2.432 1.00 2.02 N ATOM 1949 CA VAL A 655 13.193 -12.749 -1.537 1.00 2.14 C ATOM 1950 C VAL A 655 11.977 -13.218 -2.319 1.00 2.26 C ATOM 1951 O VAL A 655 11.284 -14.115 -1.863 1.00 2.47 O ATOM 1952 CB VAL A 655 12.888 -11.544 -0.632 1.00 2.06 C ATOM 1953 CG1 VAL A 655 12.440 -10.326 -1.425 1.00 1.85 C ATOM 1954 CG2 VAL A 655 11.887 -11.860 0.482 1.00 2.30 C ATOM 0 H VAL A 655 14.411 -11.429 -2.595 1.00 2.02 H new ATOM 0 HA VAL A 655 13.478 -13.580 -0.892 1.00 2.14 H new ATOM 0 HB VAL A 655 13.836 -11.305 -0.149 1.00 2.06 H new ATOM 0 HG11 VAL A 655 12.237 -9.502 -0.742 1.00 1.85 H new ATOM 0 HG12 VAL A 655 13.227 -10.035 -2.121 1.00 1.85 H new ATOM 0 HG13 VAL A 655 11.535 -10.567 -1.982 1.00 1.85 H new ATOM 0 HG21 VAL A 655 11.717 -10.966 1.083 1.00 2.30 H new ATOM 0 HG22 VAL A 655 10.944 -12.186 0.042 1.00 2.30 H new ATOM 0 HG23 VAL A 655 12.286 -12.653 1.115 1.00 2.30 H new