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 172:sc= -0.0769 (180deg=-0.17) USER MOD Set 1.2: A 648 MET CE :methyl 159:sc= -0.539 (180deg=-1.2) USER MOD Set 2.1: A 559 LYS NZ :NH3+ -113:sc= 0.607 (180deg=-0.0398) USER MOD Set 2.2: A 637 ASN : amide:sc= -0.194 K(o=0.41,f=-1.8) USER MOD Set 3.1: A 593 THR OG1 : rot 180:sc= -0.163 USER MOD Set 3.2: A 596 ASN : amide:sc= -0.129 K(o=-0.5,f=-2.8!) USER MOD Set 3.3: A 599 MET CE :methyl -165:sc= -0.205 (180deg=-0.865) USER MOD Set 4.1: A 542 MET CE :methyl 145:sc= -0.188 (180deg=-1.8) USER MOD Set 4.2: A 581 MET CE :methyl -158:sc= -1.03 (180deg=-2.16) USER MOD Single : A 535 CYS SG : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.01) USER MOD Single : A 541 SER OG : rot 82:sc= 1.26 USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 554 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 556 MET CE :methyl -162:sc= -0.43 (180deg=-1.2) USER MOD Single : A 558 THR OG1 : rot -79:sc= 0.0145 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= 0.594 K(o=0.59,f=-0.2) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ 166:sc= 2.45 (180deg=2.25) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 585 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.079) USER MOD Single : A 586 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 590 SER OG : rot 180:sc= 0 USER MOD Single : A 594 LYS NZ :NH3+ 160:sc= 1.32 (180deg=1.03) 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 602 SER OG : rot 43:sc= 1.5 USER MOD Single : A 605 SER OG : rot 98:sc= 1.09 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 180:sc= 0.513 USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 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=-0.00498 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 9:sc= -0.552 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD Single : A 634 SER OG : rot 180:sc= 0 USER MOD Single : A 639 ASN : amide:sc= 0.56 K(o=0.56,f=-2) 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 7.537 12.950 4.218 1.00 3.02 N ATOM 16 CA CYS A 535 8.762 12.395 4.796 1.00 4.24 C ATOM 17 C CYS A 535 8.815 10.861 4.695 1.00 3.09 C ATOM 18 O CYS A 535 7.816 10.169 4.919 1.00 2.90 O ATOM 19 CB CYS A 535 8.911 12.889 6.241 1.00 6.24 C ATOM 20 SG CYS A 535 9.187 14.685 6.249 1.00 7.99 S ATOM 0 HA CYS A 535 9.613 12.752 4.216 1.00 4.24 H new ATOM 0 HB2 CYS A 535 8.015 12.647 6.813 1.00 6.24 H new ATOM 0 HB3 CYS A 535 9.745 12.381 6.725 1.00 6.24 H new ATOM 0 HG CYS A 535 9.310 15.100 7.475 1.00 7.99 H new ATOM 26 N ARG A 536 10.006 10.310 4.413 1.00 2.70 N ATOM 27 CA ARG A 536 10.214 8.876 4.128 1.00 1.84 C ATOM 28 C ARG A 536 9.760 7.941 5.251 1.00 1.48 C ATOM 29 O ARG A 536 9.345 6.822 4.955 1.00 1.20 O ATOM 30 CB ARG A 536 11.670 8.606 3.699 1.00 2.42 C ATOM 31 CG ARG A 536 12.742 8.908 4.760 1.00 2.94 C ATOM 32 CD ARG A 536 14.156 8.699 4.191 1.00 3.75 C ATOM 33 NE ARG A 536 15.184 9.300 5.060 1.00 4.26 N ATOM 34 CZ ARG A 536 15.631 8.838 6.213 1.00 5.17 C ATOM 35 NH1 ARG A 536 15.317 7.669 6.681 1.00 6.10 N ATOM 36 NH2 ARG A 536 16.413 9.562 6.951 1.00 5.75 N ATOM 0 H ARG A 536 10.867 10.855 4.375 1.00 2.70 H new ATOM 0 HA ARG A 536 9.559 8.637 3.290 1.00 1.84 H new ATOM 0 HB2 ARG A 536 11.756 7.559 3.409 1.00 2.42 H new ATOM 0 HB3 ARG A 536 11.885 9.201 2.812 1.00 2.42 H new ATOM 0 HG2 ARG A 536 12.635 9.935 5.108 1.00 2.94 H new ATOM 0 HG3 ARG A 536 12.595 8.261 5.625 1.00 2.94 H new ATOM 0 HD2 ARG A 536 14.350 7.632 4.080 1.00 3.75 H new ATOM 0 HD3 ARG A 536 14.217 9.139 3.196 1.00 3.75 H new ATOM 0 HE ARG A 536 15.597 10.173 4.733 1.00 4.26 H new ATOM 0 HH11 ARG A 536 14.696 7.058 6.151 1.00 6.10 H new ATOM 0 HH12 ARG A 536 15.691 7.362 7.579 1.00 6.10 H new ATOM 0 HH21 ARG A 536 16.687 10.495 6.642 1.00 5.75 H new ATOM 0 HH22 ARG A 536 16.755 9.199 7.841 1.00 5.75 H new ATOM 50 N LYS A 537 9.735 8.414 6.505 1.00 1.76 N ATOM 51 CA LYS A 537 9.184 7.726 7.685 1.00 1.49 C ATOM 52 C LYS A 537 7.835 7.034 7.453 1.00 1.25 C ATOM 53 O LYS A 537 7.637 5.940 7.979 1.00 1.17 O ATOM 54 CB LYS A 537 9.083 8.768 8.801 1.00 1.63 C ATOM 55 CG LYS A 537 8.673 8.133 10.132 1.00 2.16 C ATOM 56 CD LYS A 537 8.861 9.153 11.253 1.00 2.78 C ATOM 57 CE LYS A 537 8.450 8.553 12.596 1.00 3.20 C ATOM 58 NZ LYS A 537 9.430 7.558 13.086 1.00 4.17 N ATOM 0 H LYS A 537 10.117 9.331 6.737 1.00 1.76 H new ATOM 0 HA LYS A 537 9.855 6.908 7.947 1.00 1.49 H new ATOM 0 HB2 LYS A 537 10.043 9.270 8.918 1.00 1.63 H new ATOM 0 HB3 LYS A 537 8.356 9.531 8.522 1.00 1.63 H new ATOM 0 HG2 LYS A 537 7.633 7.809 10.089 1.00 2.16 H new ATOM 0 HG3 LYS A 537 9.276 7.246 10.326 1.00 2.16 H new ATOM 0 HD2 LYS A 537 9.903 9.470 11.293 1.00 2.78 H new ATOM 0 HD3 LYS A 537 8.265 10.042 11.047 1.00 2.78 H new ATOM 0 HE2 LYS A 537 8.345 9.350 13.332 1.00 3.20 H new ATOM 0 HE3 LYS A 537 7.473 8.080 12.497 1.00 3.20 H new ATOM 0 HZ1 LYS A 537 9.146 7.227 14.030 1.00 4.17 H new ATOM 0 HZ2 LYS A 537 9.462 6.751 12.431 1.00 4.17 H new ATOM 0 HZ3 LYS A 537 10.372 7.996 13.141 1.00 4.17 H new ATOM 72 N LEU A 538 6.922 7.616 6.665 1.00 1.35 N ATOM 73 CA LEU A 538 5.583 7.043 6.466 1.00 1.42 C ATOM 74 C LEU A 538 5.630 5.743 5.646 1.00 1.27 C ATOM 75 O LEU A 538 5.046 4.742 6.048 1.00 1.40 O ATOM 76 CB LEU A 538 4.653 8.103 5.845 1.00 1.73 C ATOM 77 CG LEU A 538 3.214 7.608 5.587 1.00 1.47 C ATOM 78 CD1 LEU A 538 2.497 7.127 6.852 1.00 1.79 C ATOM 79 CD2 LEU A 538 2.377 8.732 4.976 1.00 2.89 C ATOM 0 H LEU A 538 7.085 8.484 6.154 1.00 1.35 H new ATOM 0 HA LEU A 538 5.174 6.762 7.436 1.00 1.42 H new ATOM 0 HB2 LEU A 538 4.615 8.969 6.506 1.00 1.73 H new ATOM 0 HB3 LEU A 538 5.084 8.441 4.902 1.00 1.73 H new ATOM 0 HG LEU A 538 3.309 6.760 4.909 1.00 1.47 H new ATOM 0 HD11 LEU A 538 1.491 6.794 6.596 1.00 1.79 H new ATOM 0 HD12 LEU A 538 3.052 6.299 7.292 1.00 1.79 H new ATOM 0 HD13 LEU A 538 2.436 7.945 7.569 1.00 1.79 H new ATOM 0 HD21 LEU A 538 1.363 8.374 4.797 1.00 2.89 H new ATOM 0 HD22 LEU A 538 2.348 9.578 5.662 1.00 2.89 H new ATOM 0 HD23 LEU A 538 2.823 9.046 4.032 1.00 2.89 H new ATOM 91 N VAL A 539 6.375 5.723 4.537 1.00 1.12 N ATOM 92 CA VAL A 539 6.539 4.516 3.706 1.00 1.02 C ATOM 93 C VAL A 539 7.555 3.539 4.327 1.00 1.04 C ATOM 94 O VAL A 539 7.334 2.330 4.354 1.00 1.16 O ATOM 95 CB VAL A 539 6.792 4.916 2.240 1.00 0.85 C ATOM 96 CG1 VAL A 539 8.267 5.144 1.929 1.00 0.83 C ATOM 97 CG2 VAL A 539 6.177 3.881 1.301 1.00 0.93 C ATOM 0 H VAL A 539 6.881 6.536 4.187 1.00 1.12 H new ATOM 0 HA VAL A 539 5.614 3.940 3.686 1.00 1.02 H new ATOM 0 HB VAL A 539 6.304 5.877 2.078 1.00 0.85 H new ATOM 0 HG11 VAL A 539 8.379 5.423 0.881 1.00 0.83 H new ATOM 0 HG12 VAL A 539 8.653 5.944 2.561 1.00 0.83 H new ATOM 0 HG13 VAL A 539 8.825 4.228 2.122 1.00 0.83 H new ATOM 0 HG21 VAL A 539 6.361 4.173 0.267 1.00 0.93 H new ATOM 0 HG22 VAL A 539 6.627 2.906 1.489 1.00 0.93 H new ATOM 0 HG23 VAL A 539 5.103 3.824 1.476 1.00 0.93 H new ATOM 107 N ALA A 540 8.597 4.059 4.984 1.00 1.05 N ATOM 108 CA ALA A 540 9.568 3.288 5.766 1.00 1.22 C ATOM 109 C ALA A 540 8.994 2.652 7.047 1.00 1.39 C ATOM 110 O ALA A 540 9.723 1.971 7.776 1.00 1.59 O ATOM 111 CB ALA A 540 10.743 4.204 6.122 1.00 1.29 C ATOM 0 H ALA A 540 8.794 5.060 4.986 1.00 1.05 H new ATOM 0 HA ALA A 540 9.883 2.451 5.142 1.00 1.22 H new ATOM 0 HB1 ALA A 540 11.476 3.646 6.705 1.00 1.29 H new ATOM 0 HB2 ALA A 540 11.209 4.570 5.207 1.00 1.29 H new ATOM 0 HB3 ALA A 540 10.381 5.049 6.708 1.00 1.29 H new ATOM 117 N SER A 541 7.707 2.851 7.357 1.00 1.42 N ATOM 118 CA SER A 541 7.065 2.291 8.545 1.00 1.65 C ATOM 119 C SER A 541 6.714 0.810 8.364 1.00 1.66 C ATOM 120 O SER A 541 6.349 0.125 9.323 1.00 1.86 O ATOM 121 CB SER A 541 5.829 3.106 8.880 1.00 1.77 C ATOM 122 OG SER A 541 6.176 4.333 9.497 1.00 2.61 O ATOM 0 H SER A 541 7.078 3.412 6.782 1.00 1.42 H new ATOM 0 HA SER A 541 7.770 2.345 9.374 1.00 1.65 H new ATOM 0 HB2 SER A 541 5.261 3.301 7.970 1.00 1.77 H new ATOM 0 HB3 SER A 541 5.181 2.533 9.543 1.00 1.77 H new ATOM 0 HG SER A 541 6.423 4.986 8.810 1.00 2.61 H new ATOM 128 N MET A 542 6.847 0.315 7.131 1.00 1.54 N ATOM 129 CA MET A 542 6.580 -1.048 6.699 1.00 1.58 C ATOM 130 C MET A 542 7.810 -1.969 6.853 1.00 1.56 C ATOM 131 O MET A 542 8.932 -1.536 6.565 1.00 1.52 O ATOM 132 CB MET A 542 6.183 -0.987 5.224 1.00 1.53 C ATOM 133 CG MET A 542 4.810 -0.358 4.979 1.00 1.87 C ATOM 134 SD MET A 542 4.369 -0.198 3.227 1.00 2.56 S ATOM 135 CE MET A 542 4.423 -1.937 2.715 1.00 1.83 C ATOM 0 H MET A 542 7.166 0.901 6.360 1.00 1.54 H new ATOM 0 HA MET A 542 5.789 -1.466 7.322 1.00 1.58 H new ATOM 0 HB2 MET A 542 6.936 -0.418 4.678 1.00 1.53 H new ATOM 0 HB3 MET A 542 6.188 -1.997 4.814 1.00 1.53 H new ATOM 0 HG2 MET A 542 4.052 -0.960 5.480 1.00 1.87 H new ATOM 0 HG3 MET A 542 4.788 0.630 5.440 1.00 1.87 H new ATOM 0 HE1 MET A 542 3.651 -2.120 1.967 1.00 1.83 H new ATOM 0 HE2 MET A 542 5.401 -2.161 2.289 1.00 1.83 H new ATOM 0 HE3 MET A 542 4.249 -2.577 3.580 1.00 1.83 H new ATOM 145 N PRO A 543 7.643 -3.256 7.209 1.00 1.64 N ATOM 146 CA PRO A 543 8.741 -4.227 7.291 1.00 1.64 C ATOM 147 C PRO A 543 9.326 -4.586 5.913 1.00 1.49 C ATOM 148 O PRO A 543 10.517 -4.874 5.809 1.00 1.47 O ATOM 149 CB PRO A 543 8.156 -5.443 8.016 1.00 1.91 C ATOM 150 CG PRO A 543 6.665 -5.375 7.693 1.00 1.89 C ATOM 151 CD PRO A 543 6.391 -3.873 7.599 1.00 1.79 C ATOM 0 HA PRO A 543 9.591 -3.812 7.833 1.00 1.64 H new ATOM 0 HB2 PRO A 543 8.601 -6.373 7.661 1.00 1.91 H new ATOM 0 HB3 PRO A 543 8.336 -5.393 9.090 1.00 1.91 H new ATOM 0 HG2 PRO A 543 6.433 -5.885 6.758 1.00 1.89 H new ATOM 0 HG3 PRO A 543 6.063 -5.845 8.471 1.00 1.89 H new ATOM 0 HD2 PRO A 543 5.610 -3.665 6.867 1.00 1.79 H new ATOM 0 HD3 PRO A 543 6.045 -3.480 8.555 1.00 1.79 H new ATOM 159 N LEU A 544 8.557 -4.461 4.826 1.00 1.47 N ATOM 160 CA LEU A 544 9.059 -4.544 3.443 1.00 1.41 C ATOM 161 C LEU A 544 10.092 -3.447 3.098 1.00 1.28 C ATOM 162 O LEU A 544 10.915 -3.628 2.203 1.00 1.30 O ATOM 163 CB LEU A 544 7.811 -4.550 2.546 1.00 1.55 C ATOM 164 CG LEU A 544 8.027 -4.587 1.023 1.00 1.29 C ATOM 165 CD1 LEU A 544 6.807 -5.247 0.386 1.00 1.38 C ATOM 166 CD2 LEU A 544 8.113 -3.183 0.417 1.00 2.45 C ATOM 0 H LEU A 544 7.552 -4.297 4.879 1.00 1.47 H new ATOM 0 HA LEU A 544 9.638 -5.454 3.286 1.00 1.41 H new ATOM 0 HB2 LEU A 544 7.205 -5.413 2.820 1.00 1.55 H new ATOM 0 HB3 LEU A 544 7.225 -3.661 2.780 1.00 1.55 H new ATOM 0 HG LEU A 544 8.958 -5.123 0.837 1.00 1.29 H new ATOM 0 HD11 LEU A 544 6.937 -5.285 -0.696 1.00 1.38 H new ATOM 0 HD12 LEU A 544 6.697 -6.260 0.774 1.00 1.38 H new ATOM 0 HD13 LEU A 544 5.914 -4.668 0.624 1.00 1.38 H new ATOM 0 HD21 LEU A 544 8.266 -3.260 -0.659 1.00 2.45 H new ATOM 0 HD22 LEU A 544 7.186 -2.644 0.614 1.00 2.45 H new ATOM 0 HD23 LEU A 544 8.948 -2.644 0.864 1.00 2.45 H new ATOM 178 N PHE A 545 10.120 -2.350 3.859 1.00 1.23 N ATOM 179 CA PHE A 545 11.076 -1.238 3.763 1.00 1.17 C ATOM 180 C PHE A 545 12.131 -1.234 4.894 1.00 1.19 C ATOM 181 O PHE A 545 12.923 -0.295 4.995 1.00 1.15 O ATOM 182 CB PHE A 545 10.298 0.087 3.745 1.00 1.23 C ATOM 183 CG PHE A 545 9.554 0.424 2.466 1.00 1.15 C ATOM 184 CD1 PHE A 545 8.309 -0.164 2.174 1.00 1.97 C ATOM 185 CD2 PHE A 545 10.060 1.425 1.620 1.00 2.14 C ATOM 186 CE1 PHE A 545 7.549 0.298 1.087 1.00 1.87 C ATOM 187 CE2 PHE A 545 9.310 1.881 0.523 1.00 2.25 C ATOM 188 CZ PHE A 545 8.040 1.337 0.279 1.00 1.18 C ATOM 0 H PHE A 545 9.437 -2.203 4.603 1.00 1.23 H new ATOM 0 HA PHE A 545 11.636 -1.366 2.837 1.00 1.17 H new ATOM 0 HB2 PHE A 545 9.578 0.070 4.563 1.00 1.23 H new ATOM 0 HB3 PHE A 545 10.998 0.896 3.954 1.00 1.23 H new ATOM 0 HD1 PHE A 545 7.937 -0.972 2.787 1.00 1.97 H new ATOM 0 HD2 PHE A 545 11.035 1.848 1.815 1.00 2.14 H new ATOM 0 HE1 PHE A 545 6.588 -0.145 0.872 1.00 1.87 H new ATOM 0 HE2 PHE A 545 9.708 2.645 -0.128 1.00 2.25 H new ATOM 0 HZ PHE A 545 7.438 1.718 -0.533 1.00 1.18 H new ATOM 198 N ALA A 546 12.176 -2.264 5.744 1.00 1.32 N ATOM 199 CA ALA A 546 13.078 -2.367 6.901 1.00 1.46 C ATOM 200 C ALA A 546 14.557 -2.183 6.561 1.00 1.39 C ATOM 201 O ALA A 546 15.338 -1.660 7.357 1.00 1.50 O ATOM 202 CB ALA A 546 12.930 -3.784 7.432 1.00 1.64 C ATOM 0 H ALA A 546 11.567 -3.076 5.645 1.00 1.32 H new ATOM 0 HA ALA A 546 12.805 -1.579 7.603 1.00 1.46 H new ATOM 0 HB1 ALA A 546 13.580 -3.918 8.296 1.00 1.64 H new ATOM 0 HB2 ALA A 546 11.895 -3.956 7.727 1.00 1.64 H new ATOM 0 HB3 ALA A 546 13.209 -4.495 6.654 1.00 1.64 H new ATOM 208 N ASN A 547 14.919 -2.674 5.382 1.00 1.29 N ATOM 209 CA ASN A 547 16.268 -2.800 4.862 1.00 1.32 C ATOM 210 C ASN A 547 16.500 -1.822 3.685 1.00 1.14 C ATOM 211 O ASN A 547 17.470 -1.957 2.938 1.00 1.23 O ATOM 212 CB ASN A 547 16.427 -4.299 4.520 1.00 1.57 C ATOM 213 CG ASN A 547 17.435 -5.015 5.380 1.00 2.10 C ATOM 214 OD1 ASN A 547 18.530 -5.351 4.952 1.00 2.73 O ATOM 215 ND2 ASN A 547 17.081 -5.324 6.599 1.00 2.54 N ATOM 0 H ASN A 547 14.224 -3.018 4.719 1.00 1.29 H new ATOM 0 HA ASN A 547 17.041 -2.513 5.574 1.00 1.32 H new ATOM 0 HB2 ASN A 547 15.460 -4.791 4.624 1.00 1.57 H new ATOM 0 HB3 ASN A 547 16.722 -4.394 3.475 1.00 1.57 H new ATOM 0 HD21 ASN A 547 17.719 -5.848 7.198 1.00 2.54 H new ATOM 0 HD22 ASN A 547 16.167 -5.042 6.952 1.00 2.54 H new ATOM 222 N ALA A 548 15.590 -0.854 3.497 1.00 1.04 N ATOM 223 CA ALA A 548 15.564 0.039 2.330 1.00 0.95 C ATOM 224 C ALA A 548 16.709 1.079 2.284 1.00 0.89 C ATOM 225 O ALA A 548 17.157 1.586 3.317 1.00 0.98 O ATOM 226 CB ALA A 548 14.188 0.724 2.222 1.00 0.99 C ATOM 0 H ALA A 548 14.840 -0.667 4.163 1.00 1.04 H new ATOM 0 HA ALA A 548 15.733 -0.598 1.462 1.00 0.95 H new ATOM 0 HB1 ALA A 548 14.177 1.384 1.355 1.00 0.99 H new ATOM 0 HB2 ALA A 548 13.412 -0.034 2.111 1.00 0.99 H new ATOM 0 HB3 ALA A 548 14.000 1.307 3.124 1.00 0.99 H new ATOM 232 N ASP A 549 17.130 1.453 1.071 1.00 0.84 N ATOM 233 CA ASP A 549 18.025 2.588 0.774 1.00 0.83 C ATOM 234 C ASP A 549 17.240 3.924 0.838 1.00 0.77 C ATOM 235 O ASP A 549 16.216 4.042 0.160 1.00 0.67 O ATOM 236 CB ASP A 549 18.642 2.335 -0.620 1.00 0.92 C ATOM 237 CG ASP A 549 19.573 3.430 -1.159 1.00 1.12 C ATOM 238 OD1 ASP A 549 19.248 4.633 -1.062 1.00 1.76 O ATOM 239 OD2 ASP A 549 20.628 3.067 -1.734 1.00 2.32 O ATOM 0 H ASP A 549 16.846 0.953 0.228 1.00 0.84 H new ATOM 0 HA ASP A 549 18.823 2.668 1.512 1.00 0.83 H new ATOM 0 HB2 ASP A 549 19.200 1.399 -0.583 1.00 0.92 H new ATOM 0 HB3 ASP A 549 17.830 2.194 -1.333 1.00 0.92 H new ATOM 244 N PRO A 550 17.685 4.954 1.591 1.00 0.85 N ATOM 245 CA PRO A 550 16.919 6.192 1.821 1.00 0.89 C ATOM 246 C PRO A 550 16.619 7.011 0.547 1.00 0.84 C ATOM 247 O PRO A 550 15.756 7.893 0.560 1.00 0.88 O ATOM 248 CB PRO A 550 17.768 7.012 2.800 1.00 1.05 C ATOM 249 CG PRO A 550 19.186 6.554 2.475 1.00 1.08 C ATOM 250 CD PRO A 550 18.989 5.060 2.231 1.00 0.98 C ATOM 0 HA PRO A 550 15.931 5.939 2.206 1.00 0.89 H new ATOM 0 HB2 PRO A 550 17.643 8.084 2.646 1.00 1.05 H new ATOM 0 HB3 PRO A 550 17.503 6.806 3.837 1.00 1.05 H new ATOM 0 HG2 PRO A 550 19.588 7.061 1.598 1.00 1.08 H new ATOM 0 HG3 PRO A 550 19.875 6.746 3.297 1.00 1.08 H new ATOM 0 HD2 PRO A 550 19.776 4.657 1.594 1.00 0.98 H new ATOM 0 HD3 PRO A 550 19.017 4.500 3.166 1.00 0.98 H new ATOM 258 N ASN A 551 17.293 6.711 -0.564 1.00 0.84 N ATOM 259 CA ASN A 551 17.106 7.361 -1.863 1.00 0.85 C ATOM 260 C ASN A 551 16.063 6.607 -2.691 1.00 0.73 C ATOM 261 O ASN A 551 15.193 7.225 -3.288 1.00 0.73 O ATOM 262 CB ASN A 551 18.444 7.451 -2.612 1.00 1.04 C ATOM 263 CG ASN A 551 19.529 8.141 -1.814 1.00 1.24 C ATOM 264 OD1 ASN A 551 19.677 9.359 -1.845 1.00 1.56 O ATOM 265 ND2 ASN A 551 20.278 7.383 -1.054 1.00 2.03 N ATOM 0 H ASN A 551 18.008 5.984 -0.586 1.00 0.84 H new ATOM 0 HA ASN A 551 16.740 8.375 -1.699 1.00 0.85 H new ATOM 0 HB2 ASN A 551 18.776 6.446 -2.871 1.00 1.04 H new ATOM 0 HB3 ASN A 551 18.293 7.988 -3.548 1.00 1.04 H new ATOM 0 HD21 ASN A 551 21.003 7.802 -0.471 1.00 2.03 H new ATOM 0 HD22 ASN A 551 20.137 6.373 -1.044 1.00 2.03 H new ATOM 272 N PHE A 552 16.089 5.273 -2.652 1.00 0.70 N ATOM 273 CA PHE A 552 15.074 4.409 -3.267 1.00 0.68 C ATOM 274 C PHE A 552 13.676 4.716 -2.717 1.00 0.60 C ATOM 275 O PHE A 552 12.735 4.934 -3.482 1.00 0.62 O ATOM 276 CB PHE A 552 15.456 2.941 -3.019 1.00 0.74 C ATOM 277 CG PHE A 552 14.331 1.945 -3.217 1.00 0.77 C ATOM 278 CD1 PHE A 552 13.753 1.770 -4.487 1.00 1.65 C ATOM 279 CD2 PHE A 552 13.830 1.229 -2.114 1.00 2.08 C ATOM 280 CE1 PHE A 552 12.667 0.893 -4.649 1.00 1.67 C ATOM 281 CE2 PHE A 552 12.763 0.331 -2.281 1.00 2.15 C ATOM 282 CZ PHE A 552 12.184 0.164 -3.549 1.00 0.97 C ATOM 0 H PHE A 552 16.830 4.751 -2.183 1.00 0.70 H new ATOM 0 HA PHE A 552 15.042 4.599 -4.340 1.00 0.68 H new ATOM 0 HB2 PHE A 552 16.277 2.677 -3.686 1.00 0.74 H new ATOM 0 HB3 PHE A 552 15.830 2.846 -2.000 1.00 0.74 H new ATOM 0 HD1 PHE A 552 14.144 2.309 -5.337 1.00 1.65 H new ATOM 0 HD2 PHE A 552 14.267 1.370 -1.137 1.00 2.08 H new ATOM 0 HE1 PHE A 552 12.204 0.779 -5.618 1.00 1.67 H new ATOM 0 HE2 PHE A 552 12.389 -0.229 -1.437 1.00 2.15 H new ATOM 0 HZ PHE A 552 11.364 -0.527 -3.680 1.00 0.97 H new ATOM 292 N VAL A 553 13.554 4.806 -1.388 1.00 0.57 N ATOM 293 CA VAL A 553 12.268 5.084 -0.720 1.00 0.62 C ATOM 294 C VAL A 553 11.736 6.478 -1.054 1.00 0.62 C ATOM 295 O VAL A 553 10.530 6.685 -1.130 1.00 0.69 O ATOM 296 CB VAL A 553 12.350 4.908 0.803 1.00 0.75 C ATOM 297 CG1 VAL A 553 12.976 3.559 1.111 1.00 1.35 C ATOM 298 CG2 VAL A 553 13.222 5.916 1.543 1.00 1.42 C ATOM 0 H VAL A 553 14.336 4.690 -0.744 1.00 0.57 H new ATOM 0 HA VAL A 553 11.568 4.345 -1.109 1.00 0.62 H new ATOM 0 HB VAL A 553 11.321 5.032 1.139 1.00 0.75 H new ATOM 0 HG11 VAL A 553 13.038 3.425 2.191 1.00 1.35 H new ATOM 0 HG12 VAL A 553 12.363 2.767 0.682 1.00 1.35 H new ATOM 0 HG13 VAL A 553 13.977 3.516 0.682 1.00 1.35 H new ATOM 0 HG21 VAL A 553 13.206 5.696 2.611 1.00 1.42 H new ATOM 0 HG22 VAL A 553 14.246 5.851 1.174 1.00 1.42 H new ATOM 0 HG23 VAL A 553 12.838 6.922 1.374 1.00 1.42 H new ATOM 308 N THR A 554 12.652 7.425 -1.270 1.00 0.62 N ATOM 309 CA THR A 554 12.372 8.829 -1.597 1.00 0.69 C ATOM 310 C THR A 554 12.055 9.052 -3.082 1.00 0.65 C ATOM 311 O THR A 554 11.084 9.733 -3.401 1.00 0.69 O ATOM 312 CB THR A 554 13.531 9.731 -1.145 1.00 0.79 C ATOM 313 OG1 THR A 554 13.711 9.672 0.257 1.00 0.86 O ATOM 314 CG2 THR A 554 13.231 11.186 -1.472 1.00 0.90 C ATOM 0 H THR A 554 13.652 7.228 -1.220 1.00 0.62 H new ATOM 0 HA THR A 554 11.471 9.102 -1.047 1.00 0.69 H new ATOM 0 HB THR A 554 14.421 9.377 -1.665 1.00 0.79 H new ATOM 0 HG1 THR A 554 14.414 9.023 0.470 1.00 0.86 H new ATOM 0 HG21 THR A 554 14.062 11.811 -1.145 1.00 0.90 H new ATOM 0 HG22 THR A 554 13.095 11.297 -2.548 1.00 0.90 H new ATOM 0 HG23 THR A 554 12.321 11.494 -0.958 1.00 0.90 H new ATOM 322 N ALA A 555 12.802 8.451 -4.014 1.00 0.60 N ATOM 323 CA ALA A 555 12.594 8.599 -5.462 1.00 0.61 C ATOM 324 C ALA A 555 11.246 8.003 -5.926 1.00 0.61 C ATOM 325 O ALA A 555 10.734 8.292 -7.012 1.00 0.73 O ATOM 326 CB ALA A 555 13.781 7.954 -6.185 1.00 0.62 C ATOM 0 H ALA A 555 13.582 7.837 -3.781 1.00 0.60 H new ATOM 0 HA ALA A 555 12.543 9.659 -5.710 1.00 0.61 H new ATOM 0 HB1 ALA A 555 13.648 8.052 -7.262 1.00 0.62 H new ATOM 0 HB2 ALA A 555 14.703 8.452 -5.887 1.00 0.62 H new ATOM 0 HB3 ALA A 555 13.838 6.898 -5.921 1.00 0.62 H new ATOM 332 N MET A 556 10.655 7.167 -5.073 1.00 0.57 N ATOM 333 CA MET A 556 9.294 6.660 -5.203 1.00 0.65 C ATOM 334 C MET A 556 8.233 7.770 -5.077 1.00 0.64 C ATOM 335 O MET A 556 7.193 7.701 -5.733 1.00 0.71 O ATOM 336 CB MET A 556 9.129 5.606 -4.107 1.00 0.87 C ATOM 337 CG MET A 556 7.969 4.648 -4.366 1.00 0.89 C ATOM 338 SD MET A 556 7.903 3.263 -3.197 1.00 1.10 S ATOM 339 CE MET A 556 9.569 2.559 -3.390 1.00 0.78 C ATOM 0 H MET A 556 11.130 6.813 -4.243 1.00 0.57 H new ATOM 0 HA MET A 556 9.141 6.236 -6.195 1.00 0.65 H new ATOM 0 HB2 MET A 556 10.052 5.034 -4.020 1.00 0.87 H new ATOM 0 HB3 MET A 556 8.973 6.106 -3.151 1.00 0.87 H new ATOM 0 HG2 MET A 556 7.032 5.202 -4.315 1.00 0.89 H new ATOM 0 HG3 MET A 556 8.052 4.255 -5.379 1.00 0.89 H new ATOM 0 HE1 MET A 556 9.582 1.542 -2.997 1.00 0.78 H new ATOM 0 HE2 MET A 556 9.837 2.543 -4.446 1.00 0.78 H new ATOM 0 HE3 MET A 556 10.287 3.169 -2.842 1.00 0.78 H new ATOM 349 N LEU A 557 8.506 8.814 -4.287 1.00 0.67 N ATOM 350 CA LEU A 557 7.530 9.819 -3.847 1.00 0.77 C ATOM 351 C LEU A 557 7.325 10.975 -4.845 1.00 0.85 C ATOM 352 O LEU A 557 6.350 11.718 -4.723 1.00 0.96 O ATOM 353 CB LEU A 557 7.951 10.375 -2.469 1.00 0.84 C ATOM 354 CG LEU A 557 8.339 9.324 -1.411 1.00 0.77 C ATOM 355 CD1 LEU A 557 8.726 9.999 -0.098 1.00 0.87 C ATOM 356 CD2 LEU A 557 7.209 8.330 -1.127 1.00 0.80 C ATOM 0 H LEU A 557 9.443 8.989 -3.924 1.00 0.67 H new ATOM 0 HA LEU A 557 6.568 9.310 -3.781 1.00 0.77 H new ATOM 0 HB2 LEU A 557 8.797 11.047 -2.613 1.00 0.84 H new ATOM 0 HB3 LEU A 557 7.131 10.974 -2.074 1.00 0.84 H new ATOM 0 HG LEU A 557 9.186 8.777 -1.824 1.00 0.77 H new ATOM 0 HD11 LEU A 557 8.996 9.240 0.636 1.00 0.87 H new ATOM 0 HD12 LEU A 557 9.576 10.661 -0.266 1.00 0.87 H new ATOM 0 HD13 LEU A 557 7.882 10.580 0.275 1.00 0.87 H new ATOM 0 HD21 LEU A 557 7.536 7.612 -0.375 1.00 0.80 H new ATOM 0 HD22 LEU A 557 6.335 8.868 -0.759 1.00 0.80 H new ATOM 0 HD23 LEU A 557 6.950 7.801 -2.044 1.00 0.80 H new ATOM 368 N THR A 558 8.207 11.131 -5.839 1.00 0.84 N ATOM 369 CA THR A 558 8.245 12.306 -6.737 1.00 0.96 C ATOM 370 C THR A 558 6.975 12.531 -7.568 1.00 0.94 C ATOM 371 O THR A 558 6.691 13.678 -7.915 1.00 1.12 O ATOM 372 CB THR A 558 9.475 12.274 -7.668 1.00 1.06 C ATOM 373 OG1 THR A 558 9.573 11.044 -8.359 1.00 1.63 O ATOM 374 CG2 THR A 558 10.773 12.462 -6.892 1.00 1.87 C ATOM 0 H THR A 558 8.926 10.440 -6.050 1.00 0.84 H new ATOM 0 HA THR A 558 8.316 13.153 -6.055 1.00 0.96 H new ATOM 0 HB THR A 558 9.335 13.094 -8.373 1.00 1.06 H new ATOM 0 HG1 THR A 558 9.948 10.363 -7.763 1.00 1.63 H new ATOM 0 HG21 THR A 558 11.617 12.434 -7.582 1.00 1.87 H new ATOM 0 HG22 THR A 558 10.755 13.424 -6.380 1.00 1.87 H new ATOM 0 HG23 THR A 558 10.877 11.663 -6.158 1.00 1.87 H new ATOM 382 N LYS A 559 6.185 11.479 -7.845 1.00 0.83 N ATOM 383 CA LYS A 559 4.853 11.546 -8.486 1.00 0.91 C ATOM 384 C LYS A 559 3.717 10.923 -7.648 1.00 0.96 C ATOM 385 O LYS A 559 2.645 10.599 -8.158 1.00 1.13 O ATOM 386 CB LYS A 559 4.950 11.049 -9.944 1.00 1.04 C ATOM 387 CG LYS A 559 5.754 9.761 -10.202 1.00 1.37 C ATOM 388 CD LYS A 559 5.195 8.510 -9.521 1.00 1.65 C ATOM 389 CE LYS A 559 3.761 8.184 -9.937 1.00 1.66 C ATOM 390 NZ LYS A 559 3.623 8.000 -11.403 1.00 2.80 N ATOM 0 H LYS A 559 6.463 10.523 -7.622 1.00 0.83 H new ATOM 0 HA LYS A 559 4.546 12.591 -8.529 1.00 0.91 H new ATOM 0 HB2 LYS A 559 3.937 10.894 -10.315 1.00 1.04 H new ATOM 0 HB3 LYS A 559 5.390 11.846 -10.543 1.00 1.04 H new ATOM 0 HG2 LYS A 559 5.796 9.585 -11.277 1.00 1.37 H new ATOM 0 HG3 LYS A 559 6.779 9.915 -9.864 1.00 1.37 H new ATOM 0 HD2 LYS A 559 5.836 7.660 -9.756 1.00 1.65 H new ATOM 0 HD3 LYS A 559 5.230 8.647 -8.440 1.00 1.65 H new ATOM 0 HE2 LYS A 559 3.436 7.277 -9.428 1.00 1.66 H new ATOM 0 HE3 LYS A 559 3.100 8.987 -9.611 1.00 1.66 H new ATOM 0 HZ1 LYS A 559 3.044 8.769 -11.796 1.00 2.80 H new ATOM 0 HZ2 LYS A 559 4.564 8.015 -11.845 1.00 2.80 H new ATOM 0 HZ3 LYS A 559 3.164 7.087 -11.597 1.00 2.80 H new ATOM 404 N LEU A 560 3.964 10.706 -6.357 1.00 0.95 N ATOM 405 CA LEU A 560 3.064 10.051 -5.401 1.00 1.06 C ATOM 406 C LEU A 560 2.031 11.063 -4.858 1.00 1.60 C ATOM 407 O LEU A 560 2.357 12.240 -4.678 1.00 2.04 O ATOM 408 CB LEU A 560 3.989 9.425 -4.337 1.00 1.23 C ATOM 409 CG LEU A 560 3.444 8.583 -3.174 1.00 1.06 C ATOM 410 CD1 LEU A 560 3.069 9.450 -1.982 1.00 2.63 C ATOM 411 CD2 LEU A 560 2.262 7.707 -3.550 1.00 1.43 C ATOM 0 H LEU A 560 4.841 10.996 -5.925 1.00 0.95 H new ATOM 0 HA LEU A 560 2.450 9.266 -5.841 1.00 1.06 H new ATOM 0 HB2 LEU A 560 4.702 8.797 -4.872 1.00 1.23 H new ATOM 0 HB3 LEU A 560 4.555 10.244 -3.893 1.00 1.23 H new ATOM 0 HG LEU A 560 4.265 7.919 -2.903 1.00 1.06 H new ATOM 0 HD11 LEU A 560 2.687 8.819 -1.179 1.00 2.63 H new ATOM 0 HD12 LEU A 560 3.950 9.989 -1.633 1.00 2.63 H new ATOM 0 HD13 LEU A 560 2.301 10.164 -2.279 1.00 2.63 H new ATOM 0 HD21 LEU A 560 1.934 7.144 -2.676 1.00 1.43 H new ATOM 0 HD22 LEU A 560 1.444 8.333 -3.906 1.00 1.43 H new ATOM 0 HD23 LEU A 560 2.558 7.015 -4.338 1.00 1.43 H new ATOM 423 N LYS A 561 0.790 10.618 -4.603 1.00 1.72 N ATOM 424 CA LYS A 561 -0.311 11.470 -4.105 1.00 2.35 C ATOM 425 C LYS A 561 -1.200 10.822 -3.033 1.00 1.87 C ATOM 426 O LYS A 561 -1.365 9.597 -2.988 1.00 1.24 O ATOM 427 CB LYS A 561 -1.153 12.069 -5.252 1.00 3.25 C ATOM 428 CG LYS A 561 -2.236 11.158 -5.862 1.00 2.14 C ATOM 429 CD LYS A 561 -1.712 9.872 -6.509 1.00 2.60 C ATOM 430 CE LYS A 561 -0.724 10.150 -7.648 1.00 2.15 C ATOM 431 NZ LYS A 561 -1.406 10.732 -8.829 1.00 2.39 N ATOM 0 H LYS A 561 0.516 9.645 -4.737 1.00 1.72 H new ATOM 0 HA LYS A 561 0.197 12.287 -3.593 1.00 2.35 H new ATOM 0 HB2 LYS A 561 -1.637 12.973 -4.883 1.00 3.25 H new ATOM 0 HB3 LYS A 561 -0.475 12.373 -6.049 1.00 3.25 H new ATOM 0 HG2 LYS A 561 -2.946 10.890 -5.080 1.00 2.14 H new ATOM 0 HG3 LYS A 561 -2.787 11.726 -6.612 1.00 2.14 H new ATOM 0 HD2 LYS A 561 -1.224 9.260 -5.750 1.00 2.60 H new ATOM 0 HD3 LYS A 561 -2.552 9.294 -6.894 1.00 2.60 H new ATOM 0 HE2 LYS A 561 0.051 10.834 -7.300 1.00 2.15 H new ATOM 0 HE3 LYS A 561 -0.227 9.223 -7.934 1.00 2.15 H new ATOM 0 HZ1 LYS A 561 -0.709 10.908 -9.581 1.00 2.39 H new ATOM 0 HZ2 LYS A 561 -2.128 10.068 -9.175 1.00 2.39 H new ATOM 0 HZ3 LYS A 561 -1.860 11.629 -8.561 1.00 2.39 H new ATOM 445 N PHE A 562 -1.778 11.672 -2.184 1.00 2.33 N ATOM 446 CA PHE A 562 -2.812 11.295 -1.217 1.00 1.93 C ATOM 447 C PHE A 562 -4.237 11.412 -1.795 1.00 1.81 C ATOM 448 O PHE A 562 -4.480 12.124 -2.773 1.00 1.99 O ATOM 449 CB PHE A 562 -2.588 12.016 0.128 1.00 2.11 C ATOM 450 CG PHE A 562 -3.463 13.221 0.423 1.00 2.02 C ATOM 451 CD1 PHE A 562 -4.738 13.036 0.989 1.00 2.33 C ATOM 452 CD2 PHE A 562 -2.982 14.524 0.207 1.00 2.79 C ATOM 453 CE1 PHE A 562 -5.528 14.151 1.321 1.00 2.32 C ATOM 454 CE2 PHE A 562 -3.762 15.638 0.559 1.00 2.95 C ATOM 455 CZ PHE A 562 -5.036 15.451 1.119 1.00 2.25 C ATOM 0 H PHE A 562 -1.536 12.662 -2.148 1.00 2.33 H new ATOM 0 HA PHE A 562 -2.715 10.231 -1.001 1.00 1.93 H new ATOM 0 HB2 PHE A 562 -2.731 11.290 0.928 1.00 2.11 H new ATOM 0 HB3 PHE A 562 -1.547 12.336 0.171 1.00 2.11 H new ATOM 0 HD1 PHE A 562 -5.110 12.038 1.168 1.00 2.33 H new ATOM 0 HD2 PHE A 562 -2.006 14.670 -0.233 1.00 2.79 H new ATOM 0 HE1 PHE A 562 -6.516 14.007 1.733 1.00 2.32 H new ATOM 0 HE2 PHE A 562 -3.383 16.636 0.399 1.00 2.95 H new ATOM 0 HZ PHE A 562 -5.637 16.305 1.394 1.00 2.25 H new ATOM 465 N GLU A 563 -5.193 10.704 -1.194 1.00 1.57 N ATOM 466 CA GLU A 563 -6.614 10.748 -1.548 1.00 1.59 C ATOM 467 C GLU A 563 -7.515 10.645 -0.303 1.00 1.36 C ATOM 468 O GLU A 563 -7.064 10.271 0.775 1.00 1.35 O ATOM 469 CB GLU A 563 -6.881 9.617 -2.559 1.00 1.65 C ATOM 470 CG GLU A 563 -8.288 9.619 -3.161 1.00 1.93 C ATOM 471 CD GLU A 563 -8.613 10.959 -3.836 1.00 3.81 C ATOM 472 OE1 GLU A 563 -8.141 11.181 -4.978 1.00 4.43 O ATOM 473 OE2 GLU A 563 -9.255 11.831 -3.201 1.00 5.30 O ATOM 0 H GLU A 563 -4.995 10.065 -0.424 1.00 1.57 H new ATOM 0 HA GLU A 563 -6.858 11.708 -2.003 1.00 1.59 H new ATOM 0 HB2 GLU A 563 -6.154 9.691 -3.368 1.00 1.65 H new ATOM 0 HB3 GLU A 563 -6.712 8.660 -2.066 1.00 1.65 H new ATOM 0 HG2 GLU A 563 -8.373 8.814 -3.890 1.00 1.93 H new ATOM 0 HG3 GLU A 563 -9.019 9.419 -2.378 1.00 1.93 H new ATOM 480 N VAL A 564 -8.800 10.976 -0.424 1.00 1.24 N ATOM 481 CA VAL A 564 -9.802 10.817 0.637 1.00 0.96 C ATOM 482 C VAL A 564 -10.946 9.890 0.226 1.00 0.93 C ATOM 483 O VAL A 564 -11.314 9.792 -0.948 1.00 1.08 O ATOM 484 CB VAL A 564 -10.309 12.192 1.090 1.00 0.92 C ATOM 485 CG1 VAL A 564 -11.325 12.157 2.222 1.00 0.82 C ATOM 486 CG2 VAL A 564 -9.130 13.047 1.557 1.00 1.11 C ATOM 0 H VAL A 564 -9.185 11.372 -1.281 1.00 1.24 H new ATOM 0 HA VAL A 564 -9.319 10.332 1.485 1.00 0.96 H new ATOM 0 HB VAL A 564 -10.811 12.609 0.217 1.00 0.92 H new ATOM 0 HG11 VAL A 564 -11.625 13.174 2.473 1.00 0.82 H new ATOM 0 HG12 VAL A 564 -12.200 11.588 1.908 1.00 0.82 H new ATOM 0 HG13 VAL A 564 -10.879 11.684 3.097 1.00 0.82 H new ATOM 0 HG21 VAL A 564 -9.493 14.023 1.878 1.00 1.11 H new ATOM 0 HG22 VAL A 564 -8.630 12.553 2.391 1.00 1.11 H new ATOM 0 HG23 VAL A 564 -8.425 13.174 0.735 1.00 1.11 H new ATOM 496 N PHE A 565 -11.517 9.220 1.229 1.00 0.83 N ATOM 497 CA PHE A 565 -12.785 8.488 1.134 1.00 0.89 C ATOM 498 C PHE A 565 -13.767 8.924 2.237 1.00 0.85 C ATOM 499 O PHE A 565 -13.348 9.270 3.342 1.00 0.78 O ATOM 500 CB PHE A 565 -12.520 6.979 1.194 1.00 0.94 C ATOM 501 CG PHE A 565 -11.777 6.401 -0.001 1.00 1.03 C ATOM 502 CD1 PHE A 565 -10.391 6.607 -0.157 1.00 2.37 C ATOM 503 CD2 PHE A 565 -12.459 5.579 -0.918 1.00 1.44 C ATOM 504 CE1 PHE A 565 -9.692 5.978 -1.202 1.00 2.51 C ATOM 505 CE2 PHE A 565 -11.751 4.918 -1.937 1.00 1.39 C ATOM 506 CZ PHE A 565 -10.365 5.103 -2.067 1.00 1.27 C ATOM 0 H PHE A 565 -11.099 9.169 2.158 1.00 0.83 H new ATOM 0 HA PHE A 565 -13.251 8.724 0.177 1.00 0.89 H new ATOM 0 HB2 PHE A 565 -11.947 6.763 2.096 1.00 0.94 H new ATOM 0 HB3 PHE A 565 -13.475 6.463 1.291 1.00 0.94 H new ATOM 0 HD1 PHE A 565 -9.863 7.252 0.530 1.00 2.37 H new ATOM 0 HD2 PHE A 565 -13.529 5.456 -0.839 1.00 1.44 H new ATOM 0 HE1 PHE A 565 -8.638 6.168 -1.339 1.00 2.51 H new ATOM 0 HE2 PHE A 565 -12.274 4.267 -2.621 1.00 1.39 H new ATOM 0 HZ PHE A 565 -9.818 4.572 -2.832 1.00 1.27 H new ATOM 516 N GLN A 566 -15.070 8.901 1.945 1.00 0.99 N ATOM 517 CA GLN A 566 -16.163 9.257 2.867 1.00 1.09 C ATOM 518 C GLN A 566 -16.654 8.033 3.686 1.00 1.11 C ATOM 519 O GLN A 566 -16.385 6.891 3.302 1.00 1.10 O ATOM 520 CB GLN A 566 -17.326 9.839 2.034 1.00 1.32 C ATOM 521 CG GLN A 566 -17.230 11.310 1.634 1.00 1.32 C ATOM 522 CD GLN A 566 -16.038 11.611 0.757 1.00 1.60 C ATOM 523 OE1 GLN A 566 -16.045 11.395 -0.448 1.00 3.06 O ATOM 524 NE2 GLN A 566 -14.977 12.114 1.331 1.00 1.04 N ATOM 0 H GLN A 566 -15.411 8.624 1.025 1.00 0.99 H new ATOM 0 HA GLN A 566 -15.795 9.991 3.584 1.00 1.09 H new ATOM 0 HB2 GLN A 566 -17.419 9.247 1.124 1.00 1.32 H new ATOM 0 HB3 GLN A 566 -18.248 9.702 2.599 1.00 1.32 H new ATOM 0 HG2 GLN A 566 -18.141 11.597 1.109 1.00 1.32 H new ATOM 0 HG3 GLN A 566 -17.174 11.922 2.534 1.00 1.32 H new ATOM 0 HE21 GLN A 566 -14.977 12.292 2.335 1.00 1.04 H new ATOM 0 HE22 GLN A 566 -14.149 12.329 0.775 1.00 1.04 H new ATOM 533 N PRO A 567 -17.409 8.226 4.792 1.00 1.23 N ATOM 534 CA PRO A 567 -17.875 7.124 5.638 1.00 1.32 C ATOM 535 C PRO A 567 -18.782 6.137 4.884 1.00 1.46 C ATOM 536 O PRO A 567 -19.748 6.536 4.222 1.00 1.64 O ATOM 537 CB PRO A 567 -18.616 7.763 6.822 1.00 1.46 C ATOM 538 CG PRO A 567 -18.199 9.232 6.800 1.00 1.44 C ATOM 539 CD PRO A 567 -17.876 9.495 5.334 1.00 1.37 C ATOM 0 HA PRO A 567 -17.024 6.530 5.973 1.00 1.32 H new ATOM 0 HB2 PRO A 567 -19.696 7.657 6.716 1.00 1.46 H new ATOM 0 HB3 PRO A 567 -18.340 7.288 7.764 1.00 1.46 H new ATOM 0 HG2 PRO A 567 -18.999 9.881 7.156 1.00 1.44 H new ATOM 0 HG3 PRO A 567 -17.334 9.412 7.439 1.00 1.44 H new ATOM 0 HD2 PRO A 567 -18.757 9.848 4.798 1.00 1.37 H new ATOM 0 HD3 PRO A 567 -17.112 10.266 5.235 1.00 1.37 H new ATOM 547 N GLY A 568 -18.480 4.842 5.004 1.00 1.42 N ATOM 548 CA GLY A 568 -19.243 3.739 4.421 1.00 1.62 C ATOM 549 C GLY A 568 -18.710 3.288 3.065 1.00 1.62 C ATOM 550 O GLY A 568 -19.201 2.297 2.526 1.00 1.85 O ATOM 0 H GLY A 568 -17.667 4.522 5.530 1.00 1.42 H new ATOM 0 HA2 GLY A 568 -19.229 2.893 5.109 1.00 1.62 H new ATOM 0 HA3 GLY A 568 -20.284 4.044 4.312 1.00 1.62 H new ATOM 554 N ASP A 569 -17.716 3.978 2.494 1.00 1.44 N ATOM 555 CA ASP A 569 -17.220 3.673 1.159 1.00 1.49 C ATOM 556 C ASP A 569 -16.160 2.562 1.160 1.00 1.35 C ATOM 557 O ASP A 569 -15.179 2.594 1.907 1.00 1.22 O ATOM 558 CB ASP A 569 -16.757 4.946 0.438 1.00 1.51 C ATOM 559 CG ASP A 569 -16.567 4.734 -1.068 1.00 1.80 C ATOM 560 OD1 ASP A 569 -17.077 3.745 -1.642 1.00 1.96 O ATOM 561 OD2 ASP A 569 -15.915 5.586 -1.714 1.00 2.69 O ATOM 0 H ASP A 569 -17.239 4.758 2.946 1.00 1.44 H new ATOM 0 HA ASP A 569 -18.054 3.269 0.586 1.00 1.49 H new ATOM 0 HB2 ASP A 569 -17.489 5.738 0.600 1.00 1.51 H new ATOM 0 HB3 ASP A 569 -15.818 5.285 0.875 1.00 1.51 H new ATOM 566 N TYR A 570 -16.370 1.562 0.307 1.00 1.42 N ATOM 567 CA TYR A 570 -15.514 0.381 0.176 1.00 1.26 C ATOM 568 C TYR A 570 -14.259 0.740 -0.634 1.00 1.28 C ATOM 569 O TYR A 570 -14.325 0.999 -1.838 1.00 1.50 O ATOM 570 CB TYR A 570 -16.322 -0.802 -0.393 1.00 1.26 C ATOM 571 CG TYR A 570 -17.249 -1.466 0.620 1.00 1.29 C ATOM 572 CD1 TYR A 570 -18.361 -0.769 1.137 1.00 2.13 C ATOM 573 CD2 TYR A 570 -16.981 -2.773 1.081 1.00 2.23 C ATOM 574 CE1 TYR A 570 -19.161 -1.339 2.145 1.00 2.31 C ATOM 575 CE2 TYR A 570 -17.799 -3.358 2.071 1.00 2.22 C ATOM 576 CZ TYR A 570 -18.877 -2.634 2.624 1.00 1.55 C ATOM 577 OH TYR A 570 -19.614 -3.169 3.636 1.00 1.76 O ATOM 0 H TYR A 570 -17.164 1.549 -0.333 1.00 1.42 H new ATOM 0 HA TYR A 570 -15.161 0.051 1.153 1.00 1.26 H new ATOM 0 HB2 TYR A 570 -16.915 -0.450 -1.237 1.00 1.26 H new ATOM 0 HB3 TYR A 570 -15.629 -1.549 -0.780 1.00 1.26 H new ATOM 0 HD1 TYR A 570 -18.601 0.212 0.755 1.00 2.13 H new ATOM 0 HD2 TYR A 570 -16.148 -3.327 0.675 1.00 2.23 H new ATOM 0 HE1 TYR A 570 -19.993 -0.784 2.552 1.00 2.31 H new ATOM 0 HE2 TYR A 570 -17.599 -4.365 2.407 1.00 2.22 H new ATOM 0 HH TYR A 570 -19.284 -4.069 3.841 1.00 1.76 H new ATOM 587 N ILE A 571 -13.109 0.788 0.039 1.00 1.11 N ATOM 588 CA ILE A 571 -11.848 1.325 -0.506 1.00 1.15 C ATOM 589 C ILE A 571 -11.146 0.355 -1.473 1.00 1.17 C ATOM 590 O ILE A 571 -10.549 0.775 -2.468 1.00 1.29 O ATOM 591 CB ILE A 571 -10.908 1.752 0.641 1.00 1.06 C ATOM 592 CG1 ILE A 571 -10.760 0.706 1.751 1.00 0.73 C ATOM 593 CG2 ILE A 571 -11.383 3.072 1.274 1.00 1.34 C ATOM 594 CD1 ILE A 571 -9.484 0.938 2.546 1.00 0.82 C ATOM 0 H ILE A 571 -13.019 0.450 0.997 1.00 1.11 H new ATOM 0 HA ILE A 571 -12.105 2.203 -1.099 1.00 1.15 H new ATOM 0 HB ILE A 571 -9.931 1.873 0.174 1.00 1.06 H new ATOM 0 HG12 ILE A 571 -11.622 0.751 2.417 1.00 0.73 H new ATOM 0 HG13 ILE A 571 -10.746 -0.293 1.316 1.00 0.73 H new ATOM 0 HG21 ILE A 571 -10.705 3.354 2.080 1.00 1.34 H new ATOM 0 HG22 ILE A 571 -11.392 3.856 0.517 1.00 1.34 H new ATOM 0 HG23 ILE A 571 -12.389 2.943 1.674 1.00 1.34 H new ATOM 0 HD11 ILE A 571 -9.400 0.184 3.328 1.00 0.82 H new ATOM 0 HD12 ILE A 571 -8.623 0.868 1.881 1.00 0.82 H new ATOM 0 HD13 ILE A 571 -9.513 1.929 2.999 1.00 0.82 H new ATOM 606 N ILE A 572 -11.225 -0.943 -1.176 1.00 1.14 N ATOM 607 CA ILE A 572 -10.549 -2.040 -1.881 1.00 1.16 C ATOM 608 C ILE A 572 -11.520 -2.759 -2.835 1.00 1.30 C ATOM 609 O ILE A 572 -12.725 -2.826 -2.552 1.00 1.56 O ATOM 610 CB ILE A 572 -9.894 -2.965 -0.824 1.00 1.25 C ATOM 611 CG1 ILE A 572 -8.443 -2.551 -0.477 1.00 1.82 C ATOM 612 CG2 ILE A 572 -9.863 -4.452 -1.221 1.00 1.42 C ATOM 613 CD1 ILE A 572 -8.156 -1.100 -0.104 1.00 1.36 C ATOM 0 H ILE A 572 -11.791 -1.278 -0.397 1.00 1.14 H new ATOM 0 HA ILE A 572 -9.755 -1.663 -2.525 1.00 1.16 H new ATOM 0 HB ILE A 572 -10.542 -2.842 0.044 1.00 1.25 H new ATOM 0 HG12 ILE A 572 -8.112 -3.175 0.353 1.00 1.82 H new ATOM 0 HG13 ILE A 572 -7.816 -2.801 -1.333 1.00 1.82 H new ATOM 0 HG21 ILE A 572 -9.389 -5.030 -0.428 1.00 1.42 H new ATOM 0 HG22 ILE A 572 -10.882 -4.810 -1.372 1.00 1.42 H new ATOM 0 HG23 ILE A 572 -9.296 -4.570 -2.145 1.00 1.42 H new ATOM 0 HD11 ILE A 572 -7.093 -0.982 0.109 1.00 1.36 H new ATOM 0 HD12 ILE A 572 -8.434 -0.449 -0.933 1.00 1.36 H new ATOM 0 HD13 ILE A 572 -8.735 -0.830 0.779 1.00 1.36 H new ATOM 625 N ARG A 573 -10.998 -3.315 -3.940 1.00 1.51 N ATOM 626 CA ARG A 573 -11.764 -4.118 -4.914 1.00 1.70 C ATOM 627 C ARG A 573 -10.886 -5.162 -5.620 1.00 1.51 C ATOM 628 O ARG A 573 -10.118 -4.814 -6.514 1.00 1.82 O ATOM 629 CB ARG A 573 -12.402 -3.135 -5.924 1.00 2.46 C ATOM 630 CG ARG A 573 -13.169 -3.747 -7.108 1.00 3.66 C ATOM 631 CD ARG A 573 -14.416 -4.541 -6.697 1.00 3.90 C ATOM 632 NE ARG A 573 -15.215 -4.941 -7.874 1.00 5.16 N ATOM 633 CZ ARG A 573 -16.086 -4.196 -8.536 1.00 6.04 C ATOM 634 NH1 ARG A 573 -16.347 -2.962 -8.216 1.00 6.33 N ATOM 635 NH2 ARG A 573 -16.721 -4.692 -9.554 1.00 7.30 N ATOM 0 H ARG A 573 -10.013 -3.219 -4.189 1.00 1.51 H new ATOM 0 HA ARG A 573 -12.537 -4.687 -4.398 1.00 1.70 H new ATOM 0 HB2 ARG A 573 -13.086 -2.485 -5.378 1.00 2.46 H new ATOM 0 HB3 ARG A 573 -11.611 -2.501 -6.325 1.00 2.46 H new ATOM 0 HG2 ARG A 573 -13.466 -2.948 -7.787 1.00 3.66 H new ATOM 0 HG3 ARG A 573 -12.498 -4.404 -7.662 1.00 3.66 H new ATOM 0 HD2 ARG A 573 -14.116 -5.429 -6.140 1.00 3.90 H new ATOM 0 HD3 ARG A 573 -15.029 -3.937 -6.028 1.00 3.90 H new ATOM 0 HE ARG A 573 -15.081 -5.894 -8.213 1.00 5.16 H new ATOM 0 HH11 ARG A 573 -15.872 -2.529 -7.424 1.00 6.33 H new ATOM 0 HH12 ARG A 573 -17.027 -2.428 -8.757 1.00 6.33 H new ATOM 0 HH21 ARG A 573 -16.548 -5.655 -9.843 1.00 7.30 H new ATOM 0 HH22 ARG A 573 -17.392 -4.119 -10.065 1.00 7.30 H new ATOM 649 N GLU A 574 -11.016 -6.438 -5.256 1.00 1.80 N ATOM 650 CA GLU A 574 -10.409 -7.570 -5.981 1.00 1.80 C ATOM 651 C GLU A 574 -11.343 -8.184 -7.050 1.00 2.28 C ATOM 652 O GLU A 574 -12.577 -8.136 -6.959 1.00 3.21 O ATOM 653 CB GLU A 574 -9.803 -8.588 -4.991 1.00 2.96 C ATOM 654 CG GLU A 574 -9.288 -9.937 -5.547 1.00 3.39 C ATOM 655 CD GLU A 574 -8.238 -9.901 -6.679 1.00 4.02 C ATOM 656 OE1 GLU A 574 -8.104 -8.859 -7.360 1.00 4.21 O ATOM 657 OE2 GLU A 574 -7.643 -10.967 -6.954 1.00 5.25 O ATOM 0 H GLU A 574 -11.553 -6.725 -4.438 1.00 1.80 H new ATOM 0 HA GLU A 574 -9.577 -7.184 -6.571 1.00 1.80 H new ATOM 0 HB2 GLU A 574 -8.973 -8.101 -4.480 1.00 2.96 H new ATOM 0 HB3 GLU A 574 -10.558 -8.807 -4.236 1.00 2.96 H new ATOM 0 HG2 GLU A 574 -8.864 -10.501 -4.716 1.00 3.39 H new ATOM 0 HG3 GLU A 574 -10.149 -10.500 -5.908 1.00 3.39 H new ATOM 664 N GLY A 575 -10.725 -8.761 -8.084 1.00 2.26 N ATOM 665 CA GLY A 575 -11.349 -9.321 -9.278 1.00 3.26 C ATOM 666 C GLY A 575 -10.400 -9.462 -10.475 1.00 3.05 C ATOM 667 O GLY A 575 -10.853 -9.924 -11.519 1.00 3.91 O ATOM 0 H GLY A 575 -9.709 -8.854 -8.107 1.00 2.26 H new ATOM 0 HA2 GLY A 575 -11.758 -10.302 -9.035 1.00 3.26 H new ATOM 0 HA3 GLY A 575 -12.188 -8.688 -9.566 1.00 3.26 H new ATOM 671 N THR A 576 -9.119 -9.063 -10.384 1.00 2.11 N ATOM 672 CA THR A 576 -8.123 -9.259 -11.461 1.00 2.07 C ATOM 673 C THR A 576 -6.712 -8.936 -10.982 1.00 1.52 C ATOM 674 O THR A 576 -6.512 -8.163 -10.052 1.00 1.53 O ATOM 675 CB THR A 576 -8.427 -8.456 -12.738 1.00 2.51 C ATOM 676 OG1 THR A 576 -7.559 -8.832 -13.779 1.00 2.83 O ATOM 677 CG2 THR A 576 -8.376 -6.940 -12.583 1.00 2.66 C ATOM 0 H THR A 576 -8.741 -8.594 -9.561 1.00 2.11 H new ATOM 0 HA THR A 576 -8.190 -10.316 -11.720 1.00 2.07 H new ATOM 0 HB THR A 576 -9.462 -8.706 -12.972 1.00 2.51 H new ATOM 0 HG1 THR A 576 -7.768 -8.312 -14.583 1.00 2.83 H new ATOM 0 HG21 THR A 576 -8.605 -6.469 -13.539 1.00 2.66 H new ATOM 0 HG22 THR A 576 -9.108 -6.626 -11.839 1.00 2.66 H new ATOM 0 HG23 THR A 576 -7.379 -6.641 -12.260 1.00 2.66 H new ATOM 685 N ILE A 577 -5.706 -9.498 -11.642 1.00 1.50 N ATOM 686 CA ILE A 577 -4.309 -9.336 -11.225 1.00 1.39 C ATOM 687 C ILE A 577 -3.814 -7.942 -11.630 1.00 1.37 C ATOM 688 O ILE A 577 -3.984 -7.516 -12.779 1.00 1.52 O ATOM 689 CB ILE A 577 -3.412 -10.483 -11.745 1.00 1.75 C ATOM 690 CG1 ILE A 577 -3.688 -11.832 -11.035 1.00 2.08 C ATOM 691 CG2 ILE A 577 -1.921 -10.157 -11.531 1.00 2.06 C ATOM 692 CD1 ILE A 577 -5.098 -12.406 -11.221 1.00 2.33 C ATOM 0 H ILE A 577 -5.828 -10.075 -12.474 1.00 1.50 H new ATOM 0 HA ILE A 577 -4.248 -9.406 -10.139 1.00 1.39 H new ATOM 0 HB ILE A 577 -3.649 -10.577 -12.805 1.00 1.75 H new ATOM 0 HG12 ILE A 577 -2.967 -12.565 -11.396 1.00 2.08 H new ATOM 0 HG13 ILE A 577 -3.506 -11.704 -9.968 1.00 2.08 H new ATOM 0 HG21 ILE A 577 -1.311 -10.979 -11.905 1.00 2.06 H new ATOM 0 HG22 ILE A 577 -1.667 -9.243 -12.069 1.00 2.06 H new ATOM 0 HG23 ILE A 577 -1.728 -10.017 -10.467 1.00 2.06 H new ATOM 0 HD11 ILE A 577 -5.181 -13.350 -10.682 1.00 2.33 H new ATOM 0 HD12 ILE A 577 -5.832 -11.701 -10.832 1.00 2.33 H new ATOM 0 HD13 ILE A 577 -5.285 -12.576 -12.281 1.00 2.33 H new ATOM 704 N GLY A 578 -3.154 -7.259 -10.688 1.00 1.55 N ATOM 705 CA GLY A 578 -2.431 -6.006 -10.925 1.00 1.75 C ATOM 706 C GLY A 578 -2.979 -4.772 -10.190 1.00 1.64 C ATOM 707 O GLY A 578 -2.555 -3.658 -10.502 1.00 1.74 O ATOM 0 H GLY A 578 -3.107 -7.570 -9.718 1.00 1.55 H new ATOM 0 HA2 GLY A 578 -1.390 -6.148 -10.633 1.00 1.75 H new ATOM 0 HA3 GLY A 578 -2.437 -5.801 -11.996 1.00 1.75 H new ATOM 711 N LYS A 579 -3.881 -4.944 -9.207 1.00 1.64 N ATOM 712 CA LYS A 579 -4.303 -3.873 -8.278 1.00 1.56 C ATOM 713 C LYS A 579 -3.117 -3.286 -7.484 1.00 1.30 C ATOM 714 O LYS A 579 -2.088 -3.934 -7.295 1.00 1.35 O ATOM 715 CB LYS A 579 -5.411 -4.352 -7.316 1.00 1.81 C ATOM 716 CG LYS A 579 -6.844 -4.329 -7.865 1.00 2.50 C ATOM 717 CD LYS A 579 -7.117 -5.507 -8.804 1.00 2.78 C ATOM 718 CE LYS A 579 -8.604 -5.767 -9.062 1.00 4.17 C ATOM 719 NZ LYS A 579 -9.299 -4.601 -9.647 1.00 4.42 N ATOM 0 H LYS A 579 -4.343 -5.836 -9.031 1.00 1.64 H new ATOM 0 HA LYS A 579 -4.712 -3.076 -8.899 1.00 1.56 H new ATOM 0 HB2 LYS A 579 -5.179 -5.371 -7.007 1.00 1.81 H new ATOM 0 HB3 LYS A 579 -5.378 -3.732 -6.420 1.00 1.81 H new ATOM 0 HG2 LYS A 579 -7.551 -4.355 -7.035 1.00 2.50 H new ATOM 0 HG3 LYS A 579 -7.013 -3.393 -8.398 1.00 2.50 H new ATOM 0 HD2 LYS A 579 -6.621 -5.322 -9.757 1.00 2.78 H new ATOM 0 HD3 LYS A 579 -6.670 -6.407 -8.381 1.00 2.78 H new ATOM 0 HE2 LYS A 579 -8.707 -6.620 -9.733 1.00 4.17 H new ATOM 0 HE3 LYS A 579 -9.088 -6.039 -8.124 1.00 4.17 H new ATOM 0 HZ1 LYS A 579 -10.301 -4.835 -9.800 1.00 4.42 H new ATOM 0 HZ2 LYS A 579 -9.227 -3.792 -8.997 1.00 4.42 H new ATOM 0 HZ3 LYS A 579 -8.859 -4.355 -10.556 1.00 4.42 H new ATOM 733 N LYS A 580 -3.251 -2.028 -7.046 1.00 1.20 N ATOM 734 CA LYS A 580 -2.151 -1.175 -6.546 1.00 0.99 C ATOM 735 C LYS A 580 -1.961 -1.214 -5.018 1.00 0.96 C ATOM 736 O LYS A 580 -2.641 -1.972 -4.318 1.00 1.20 O ATOM 737 CB LYS A 580 -2.336 0.261 -7.080 1.00 1.06 C ATOM 738 CG LYS A 580 -2.639 0.409 -8.584 1.00 1.57 C ATOM 739 CD LYS A 580 -1.792 -0.475 -9.508 1.00 3.20 C ATOM 740 CE LYS A 580 -2.190 -0.217 -10.964 1.00 4.53 C ATOM 741 NZ LYS A 580 -1.771 -1.319 -11.860 1.00 6.02 N ATOM 0 H LYS A 580 -4.155 -1.555 -7.027 1.00 1.20 H new ATOM 0 HA LYS A 580 -1.220 -1.588 -6.933 1.00 0.99 H new ATOM 0 HB2 LYS A 580 -3.147 0.729 -6.522 1.00 1.06 H new ATOM 0 HB3 LYS A 580 -1.430 0.825 -6.859 1.00 1.06 H new ATOM 0 HG2 LYS A 580 -3.691 0.179 -8.751 1.00 1.57 H new ATOM 0 HG3 LYS A 580 -2.491 1.451 -8.868 1.00 1.57 H new ATOM 0 HD2 LYS A 580 -0.733 -0.260 -9.365 1.00 3.20 H new ATOM 0 HD3 LYS A 580 -1.940 -1.526 -9.260 1.00 3.20 H new ATOM 0 HE2 LYS A 580 -3.271 -0.090 -11.027 1.00 4.53 H new ATOM 0 HE3 LYS A 580 -1.740 0.716 -11.303 1.00 4.53 H new ATOM 0 HZ1 LYS A 580 -2.256 -1.226 -12.775 1.00 6.02 H new ATOM 0 HZ2 LYS A 580 -0.742 -1.275 -12.007 1.00 6.02 H new ATOM 0 HZ3 LYS A 580 -2.020 -2.232 -11.428 1.00 6.02 H new ATOM 755 N MET A 581 -0.994 -0.434 -4.515 1.00 0.86 N ATOM 756 CA MET A 581 -0.704 -0.263 -3.079 1.00 1.01 C ATOM 757 C MET A 581 -1.452 0.943 -2.481 1.00 0.94 C ATOM 758 O MET A 581 -1.443 2.030 -3.063 1.00 0.88 O ATOM 759 CB MET A 581 0.819 -0.140 -2.893 1.00 1.22 C ATOM 760 CG MET A 581 1.260 0.192 -1.462 1.00 1.71 C ATOM 761 SD MET A 581 0.758 -1.007 -0.200 1.00 1.74 S ATOM 762 CE MET A 581 1.535 -0.260 1.258 1.00 1.42 C ATOM 0 H MET A 581 -0.372 0.113 -5.111 1.00 0.86 H new ATOM 0 HA MET A 581 -1.063 -1.137 -2.536 1.00 1.01 H new ATOM 0 HB2 MET A 581 1.286 -1.077 -3.195 1.00 1.22 H new ATOM 0 HB3 MET A 581 1.193 0.634 -3.564 1.00 1.22 H new ATOM 0 HG2 MET A 581 2.346 0.279 -1.445 1.00 1.71 H new ATOM 0 HG3 MET A 581 0.858 1.168 -1.193 1.00 1.71 H new ATOM 0 HE1 MET A 581 1.673 -1.021 2.026 1.00 1.42 H new ATOM 0 HE2 MET A 581 2.504 0.156 0.981 1.00 1.42 H new ATOM 0 HE3 MET A 581 0.896 0.534 1.644 1.00 1.42 H new ATOM 772 N TYR A 582 -2.047 0.764 -1.293 1.00 0.98 N ATOM 773 CA TYR A 582 -2.833 1.793 -0.602 1.00 0.87 C ATOM 774 C TYR A 582 -2.589 1.767 0.918 1.00 0.86 C ATOM 775 O TYR A 582 -2.504 0.701 1.540 1.00 0.91 O ATOM 776 CB TYR A 582 -4.330 1.621 -0.914 1.00 0.84 C ATOM 777 CG TYR A 582 -4.695 1.624 -2.388 1.00 1.15 C ATOM 778 CD1 TYR A 582 -4.982 2.838 -3.041 1.00 2.56 C ATOM 779 CD2 TYR A 582 -4.760 0.412 -3.104 1.00 1.86 C ATOM 780 CE1 TYR A 582 -5.310 2.842 -4.412 1.00 2.92 C ATOM 781 CE2 TYR A 582 -5.092 0.414 -4.473 1.00 2.15 C ATOM 782 CZ TYR A 582 -5.360 1.632 -5.131 1.00 2.12 C ATOM 783 OH TYR A 582 -5.663 1.647 -6.455 1.00 2.65 O ATOM 0 H TYR A 582 -1.994 -0.115 -0.778 1.00 0.98 H new ATOM 0 HA TYR A 582 -2.506 2.766 -0.970 1.00 0.87 H new ATOM 0 HB2 TYR A 582 -4.669 0.683 -0.475 1.00 0.84 H new ATOM 0 HB3 TYR A 582 -4.881 2.421 -0.420 1.00 0.84 H new ATOM 0 HD1 TYR A 582 -4.951 3.767 -2.491 1.00 2.56 H new ATOM 0 HD2 TYR A 582 -4.555 -0.522 -2.601 1.00 1.86 H new ATOM 0 HE1 TYR A 582 -5.523 3.775 -4.912 1.00 2.92 H new ATOM 0 HE2 TYR A 582 -5.141 -0.517 -5.018 1.00 2.15 H new ATOM 0 HH TYR A 582 -5.655 0.731 -6.803 1.00 2.65 H new ATOM 793 N PHE A 583 -2.472 2.946 1.534 1.00 0.83 N ATOM 794 CA PHE A 583 -2.120 3.075 2.955 1.00 0.84 C ATOM 795 C PHE A 583 -2.753 4.303 3.633 1.00 0.80 C ATOM 796 O PHE A 583 -3.242 5.206 2.961 1.00 0.82 O ATOM 797 CB PHE A 583 -0.589 2.970 3.091 1.00 0.94 C ATOM 798 CG PHE A 583 0.273 3.971 2.340 1.00 1.11 C ATOM 799 CD1 PHE A 583 0.737 3.662 1.046 1.00 1.92 C ATOM 800 CD2 PHE A 583 0.717 5.148 2.972 1.00 2.31 C ATOM 801 CE1 PHE A 583 1.679 4.491 0.409 1.00 2.24 C ATOM 802 CE2 PHE A 583 1.659 5.978 2.335 1.00 2.52 C ATOM 803 CZ PHE A 583 2.159 5.639 1.064 1.00 1.88 C ATOM 0 H PHE A 583 -2.618 3.839 1.064 1.00 0.83 H new ATOM 0 HA PHE A 583 -2.560 2.251 3.517 1.00 0.84 H new ATOM 0 HB2 PHE A 583 -0.343 3.049 4.150 1.00 0.94 H new ATOM 0 HB3 PHE A 583 -0.295 1.971 2.769 1.00 0.94 H new ATOM 0 HD1 PHE A 583 0.367 2.783 0.539 1.00 1.92 H new ATOM 0 HD2 PHE A 583 0.335 5.414 3.946 1.00 2.31 H new ATOM 0 HE1 PHE A 583 2.033 4.246 -0.582 1.00 2.24 H new ATOM 0 HE2 PHE A 583 1.999 6.879 2.824 1.00 2.52 H new ATOM 0 HZ PHE A 583 2.908 6.258 0.593 1.00 1.88 H new ATOM 813 N ILE A 584 -2.833 4.307 4.967 1.00 0.78 N ATOM 814 CA ILE A 584 -3.681 5.219 5.754 1.00 0.75 C ATOM 815 C ILE A 584 -2.855 6.389 6.303 1.00 0.83 C ATOM 816 O ILE A 584 -2.006 6.184 7.167 1.00 0.84 O ATOM 817 CB ILE A 584 -4.417 4.452 6.889 1.00 0.70 C ATOM 818 CG1 ILE A 584 -5.041 3.131 6.380 1.00 0.66 C ATOM 819 CG2 ILE A 584 -5.516 5.359 7.489 1.00 0.68 C ATOM 820 CD1 ILE A 584 -5.765 2.321 7.453 1.00 0.64 C ATOM 0 H ILE A 584 -2.298 3.661 5.548 1.00 0.78 H new ATOM 0 HA ILE A 584 -4.443 5.635 5.095 1.00 0.75 H new ATOM 0 HB ILE A 584 -3.685 4.194 7.655 1.00 0.70 H new ATOM 0 HG12 ILE A 584 -5.744 3.360 5.579 1.00 0.66 H new ATOM 0 HG13 ILE A 584 -4.253 2.515 5.946 1.00 0.66 H new ATOM 0 HG21 ILE A 584 -6.034 4.825 8.285 1.00 0.68 H new ATOM 0 HG22 ILE A 584 -5.061 6.262 7.895 1.00 0.68 H new ATOM 0 HG23 ILE A 584 -6.229 5.630 6.710 1.00 0.68 H new ATOM 0 HD11 ILE A 584 -6.172 1.412 7.010 1.00 0.64 H new ATOM 0 HD12 ILE A 584 -5.064 2.057 8.245 1.00 0.64 H new ATOM 0 HD13 ILE A 584 -6.577 2.915 7.871 1.00 0.64 H new ATOM 832 N GLN A 585 -3.127 7.621 5.858 1.00 0.94 N ATOM 833 CA GLN A 585 -2.462 8.817 6.398 1.00 1.10 C ATOM 834 C GLN A 585 -3.094 9.216 7.739 1.00 1.11 C ATOM 835 O GLN A 585 -2.389 9.310 8.742 1.00 1.25 O ATOM 836 CB GLN A 585 -2.482 9.958 5.358 1.00 1.32 C ATOM 837 CG GLN A 585 -1.400 11.038 5.566 1.00 1.62 C ATOM 838 CD GLN A 585 -1.674 12.032 6.696 1.00 2.36 C ATOM 839 OE1 GLN A 585 -1.012 12.033 7.728 1.00 3.94 O ATOM 840 NE2 GLN A 585 -2.610 12.940 6.530 1.00 2.10 N ATOM 0 H GLN A 585 -3.806 7.818 5.122 1.00 0.94 H new ATOM 0 HA GLN A 585 -1.414 8.595 6.598 1.00 1.10 H new ATOM 0 HB2 GLN A 585 -2.360 9.528 4.364 1.00 1.32 H new ATOM 0 HB3 GLN A 585 -3.462 10.435 5.381 1.00 1.32 H new ATOM 0 HG2 GLN A 585 -0.449 10.543 5.763 1.00 1.62 H new ATOM 0 HG3 GLN A 585 -1.283 11.594 4.636 1.00 1.62 H new ATOM 0 HE21 GLN A 585 -3.167 12.948 5.675 1.00 2.10 H new ATOM 0 HE22 GLN A 585 -2.780 13.636 7.256 1.00 2.10 H new ATOM 849 N HIS A 586 -4.423 9.383 7.765 1.00 1.03 N ATOM 850 CA HIS A 586 -5.188 9.762 8.955 1.00 1.05 C ATOM 851 C HIS A 586 -6.667 9.341 8.861 1.00 0.94 C ATOM 852 O HIS A 586 -7.359 9.740 7.922 1.00 0.88 O ATOM 853 CB HIS A 586 -5.098 11.284 9.141 1.00 1.16 C ATOM 854 CG HIS A 586 -5.807 11.731 10.389 1.00 1.62 C ATOM 855 ND1 HIS A 586 -5.316 11.623 11.665 1.00 2.45 N ATOM 856 CD2 HIS A 586 -7.085 12.212 10.482 1.00 2.68 C ATOM 857 CE1 HIS A 586 -6.276 12.005 12.518 1.00 2.78 C ATOM 858 NE2 HIS A 586 -7.374 12.393 11.842 1.00 3.03 N ATOM 0 H HIS A 586 -5.007 9.255 6.939 1.00 1.03 H new ATOM 0 HA HIS A 586 -4.757 9.241 9.810 1.00 1.05 H new ATOM 0 HB2 HIS A 586 -4.051 11.584 9.189 1.00 1.16 H new ATOM 0 HB3 HIS A 586 -5.533 11.783 8.276 1.00 1.16 H new ATOM 0 HD2 HIS A 586 -7.751 12.415 9.656 1.00 2.68 H new ATOM 0 HE1 HIS A 586 -6.183 12.002 13.594 1.00 2.78 H new ATOM 0 HE2 HIS A 586 -8.243 12.748 12.240 1.00 3.03 H new ATOM 866 N GLY A 587 -7.177 8.591 9.844 1.00 1.01 N ATOM 867 CA GLY A 587 -8.585 8.212 9.961 1.00 0.99 C ATOM 868 C GLY A 587 -8.736 6.766 10.424 1.00 0.93 C ATOM 869 O GLY A 587 -7.818 6.209 11.035 1.00 1.06 O ATOM 0 H GLY A 587 -6.602 8.221 10.601 1.00 1.01 H new ATOM 0 HA2 GLY A 587 -9.084 8.876 10.667 1.00 0.99 H new ATOM 0 HA3 GLY A 587 -9.079 8.341 8.998 1.00 0.99 H new ATOM 873 N VAL A 588 -9.885 6.149 10.138 1.00 0.85 N ATOM 874 CA VAL A 588 -10.205 4.781 10.558 1.00 0.89 C ATOM 875 C VAL A 588 -10.931 4.037 9.431 1.00 0.79 C ATOM 876 O VAL A 588 -11.811 4.585 8.759 1.00 0.81 O ATOM 877 CB VAL A 588 -11.051 4.752 11.856 1.00 1.10 C ATOM 878 CG1 VAL A 588 -11.304 3.325 12.353 1.00 1.17 C ATOM 879 CG2 VAL A 588 -10.393 5.512 13.013 1.00 1.27 C ATOM 0 H VAL A 588 -10.630 6.591 9.600 1.00 0.85 H new ATOM 0 HA VAL A 588 -9.263 4.277 10.774 1.00 0.89 H new ATOM 0 HB VAL A 588 -11.988 5.234 11.577 1.00 1.10 H new ATOM 0 HG11 VAL A 588 -11.901 3.358 13.265 1.00 1.17 H new ATOM 0 HG12 VAL A 588 -11.840 2.763 11.588 1.00 1.17 H new ATOM 0 HG13 VAL A 588 -10.351 2.838 12.560 1.00 1.17 H new ATOM 0 HG21 VAL A 588 -11.032 5.457 13.895 1.00 1.27 H new ATOM 0 HG22 VAL A 588 -9.425 5.065 13.238 1.00 1.27 H new ATOM 0 HG23 VAL A 588 -10.254 6.556 12.731 1.00 1.27 H new ATOM 889 N VAL A 589 -10.588 2.766 9.252 1.00 0.76 N ATOM 890 CA VAL A 589 -11.294 1.810 8.384 1.00 0.73 C ATOM 891 C VAL A 589 -11.857 0.653 9.207 1.00 0.78 C ATOM 892 O VAL A 589 -11.287 0.274 10.229 1.00 0.82 O ATOM 893 CB VAL A 589 -10.405 1.275 7.245 1.00 0.63 C ATOM 894 CG1 VAL A 589 -9.970 2.387 6.279 1.00 0.68 C ATOM 895 CG2 VAL A 589 -9.166 0.550 7.778 1.00 0.58 C ATOM 0 H VAL A 589 -9.783 2.351 9.721 1.00 0.76 H new ATOM 0 HA VAL A 589 -12.116 2.354 7.919 1.00 0.73 H new ATOM 0 HB VAL A 589 -11.020 0.561 6.698 1.00 0.63 H new ATOM 0 HG11 VAL A 589 -9.345 1.962 5.493 1.00 0.68 H new ATOM 0 HG12 VAL A 589 -10.852 2.847 5.833 1.00 0.68 H new ATOM 0 HG13 VAL A 589 -9.404 3.142 6.825 1.00 0.68 H new ATOM 0 HG21 VAL A 589 -8.568 0.189 6.941 1.00 0.58 H new ATOM 0 HG22 VAL A 589 -8.572 1.239 8.379 1.00 0.58 H new ATOM 0 HG23 VAL A 589 -9.475 -0.295 8.394 1.00 0.58 H new ATOM 905 N SER A 590 -12.929 0.052 8.710 1.00 0.85 N ATOM 906 CA SER A 590 -13.582 -1.148 9.244 1.00 0.99 C ATOM 907 C SER A 590 -13.475 -2.236 8.183 1.00 1.03 C ATOM 908 O SER A 590 -13.716 -2.025 6.994 1.00 0.98 O ATOM 909 CB SER A 590 -15.048 -0.879 9.576 1.00 1.22 C ATOM 910 OG SER A 590 -15.122 0.181 10.505 1.00 1.43 O ATOM 0 H SER A 590 -13.398 0.405 7.875 1.00 0.85 H new ATOM 0 HA SER A 590 -13.094 -1.455 10.169 1.00 0.99 H new ATOM 0 HB2 SER A 590 -15.599 -0.625 8.670 1.00 1.22 H new ATOM 0 HB3 SER A 590 -15.511 -1.775 9.990 1.00 1.22 H new ATOM 0 HG SER A 590 -16.061 0.361 10.722 1.00 1.43 H new ATOM 916 N VAL A 591 -12.957 -3.372 8.604 1.00 1.18 N ATOM 917 CA VAL A 591 -12.001 -4.156 7.838 1.00 0.95 C ATOM 918 C VAL A 591 -12.278 -5.631 8.082 1.00 0.89 C ATOM 919 O VAL A 591 -12.719 -5.998 9.172 1.00 0.89 O ATOM 920 CB VAL A 591 -10.606 -3.726 8.329 1.00 1.30 C ATOM 921 CG1 VAL A 591 -10.501 -3.766 9.838 1.00 2.62 C ATOM 922 CG2 VAL A 591 -9.488 -4.656 8.006 1.00 0.92 C ATOM 0 H VAL A 591 -13.192 -3.787 9.506 1.00 1.18 H new ATOM 0 HA VAL A 591 -12.072 -3.994 6.762 1.00 0.95 H new ATOM 0 HB VAL A 591 -10.516 -2.753 7.846 1.00 1.30 H new ATOM 0 HG11 VAL A 591 -9.501 -3.455 10.142 1.00 2.62 H new ATOM 0 HG12 VAL A 591 -11.238 -3.091 10.272 1.00 2.62 H new ATOM 0 HG13 VAL A 591 -10.688 -4.781 10.189 1.00 2.62 H new ATOM 0 HG21 VAL A 591 -8.555 -4.253 8.399 1.00 0.92 H new ATOM 0 HG22 VAL A 591 -9.682 -5.629 8.457 1.00 0.92 H new ATOM 0 HG23 VAL A 591 -9.408 -4.767 6.925 1.00 0.92 H new ATOM 932 N LEU A 592 -11.955 -6.486 7.120 1.00 1.15 N ATOM 933 CA LEU A 592 -11.933 -7.927 7.339 1.00 1.52 C ATOM 934 C LEU A 592 -10.536 -8.457 7.015 1.00 1.83 C ATOM 935 O LEU A 592 -10.052 -8.223 5.902 1.00 1.88 O ATOM 936 CB LEU A 592 -12.966 -8.631 6.424 1.00 1.90 C ATOM 937 CG LEU A 592 -14.466 -8.644 6.777 1.00 2.10 C ATOM 938 CD1 LEU A 592 -14.753 -9.639 7.898 1.00 2.68 C ATOM 939 CD2 LEU A 592 -15.076 -7.294 7.143 1.00 1.89 C ATOM 0 H LEU A 592 -11.703 -6.203 6.173 1.00 1.15 H new ATOM 0 HA LEU A 592 -12.186 -8.132 8.379 1.00 1.52 H new ATOM 0 HB2 LEU A 592 -12.875 -8.180 5.436 1.00 1.90 H new ATOM 0 HB3 LEU A 592 -12.652 -9.671 6.330 1.00 1.90 H new ATOM 0 HG LEU A 592 -14.947 -8.945 5.847 1.00 2.10 H new ATOM 0 HD11 LEU A 592 -15.818 -9.630 8.129 1.00 2.68 H new ATOM 0 HD12 LEU A 592 -14.459 -10.640 7.580 1.00 2.68 H new ATOM 0 HD13 LEU A 592 -14.187 -9.360 8.786 1.00 2.68 H new ATOM 0 HD21 LEU A 592 -16.134 -7.423 7.372 1.00 1.89 H new ATOM 0 HD22 LEU A 592 -14.563 -6.887 8.014 1.00 1.89 H new ATOM 0 HD23 LEU A 592 -14.968 -6.606 6.304 1.00 1.89 H new ATOM 951 N THR A 593 -9.903 -9.212 7.921 1.00 2.19 N ATOM 952 CA THR A 593 -8.705 -9.992 7.521 1.00 2.66 C ATOM 953 C THR A 593 -9.035 -11.374 6.956 1.00 3.05 C ATOM 954 O THR A 593 -9.901 -12.086 7.476 1.00 3.03 O ATOM 955 CB THR A 593 -7.610 -10.073 8.593 1.00 2.77 C ATOM 956 OG1 THR A 593 -8.116 -10.218 9.897 1.00 2.46 O ATOM 957 CG2 THR A 593 -6.765 -8.805 8.548 1.00 2.86 C ATOM 0 H THR A 593 -10.178 -9.305 8.899 1.00 2.19 H new ATOM 0 HA THR A 593 -8.284 -9.404 6.705 1.00 2.66 H new ATOM 0 HB THR A 593 -7.020 -10.961 8.367 1.00 2.77 H new ATOM 0 HG1 THR A 593 -7.372 -10.265 10.533 1.00 2.46 H new ATOM 0 HG21 THR A 593 -5.986 -8.860 9.309 1.00 2.86 H new ATOM 0 HG22 THR A 593 -6.305 -8.709 7.564 1.00 2.86 H new ATOM 0 HG23 THR A 593 -7.398 -7.939 8.739 1.00 2.86 H new ATOM 965 N LYS A 594 -8.334 -11.780 5.885 1.00 3.52 N ATOM 966 CA LYS A 594 -8.523 -13.101 5.252 1.00 4.02 C ATOM 967 C LYS A 594 -8.189 -14.236 6.226 1.00 4.47 C ATOM 968 O LYS A 594 -7.231 -14.137 6.996 1.00 5.46 O ATOM 969 CB LYS A 594 -7.810 -13.232 3.887 1.00 4.37 C ATOM 970 CG LYS A 594 -6.295 -13.510 3.904 1.00 4.75 C ATOM 971 CD LYS A 594 -5.467 -12.307 4.371 1.00 4.76 C ATOM 972 CE LYS A 594 -3.970 -12.591 4.492 1.00 5.32 C ATOM 973 NZ LYS A 594 -3.303 -12.807 3.188 1.00 5.87 N ATOM 0 H LYS A 594 -7.622 -11.206 5.433 1.00 3.52 H new ATOM 0 HA LYS A 594 -9.583 -13.192 5.014 1.00 4.02 H new ATOM 0 HB2 LYS A 594 -8.294 -14.034 3.330 1.00 4.37 H new ATOM 0 HB3 LYS A 594 -7.977 -12.311 3.329 1.00 4.37 H new ATOM 0 HG2 LYS A 594 -6.095 -14.358 4.559 1.00 4.75 H new ATOM 0 HG3 LYS A 594 -5.973 -13.798 2.903 1.00 4.75 H new ATOM 0 HD2 LYS A 594 -5.615 -11.484 3.672 1.00 4.76 H new ATOM 0 HD3 LYS A 594 -5.843 -11.974 5.339 1.00 4.76 H new ATOM 0 HE2 LYS A 594 -3.490 -11.756 5.003 1.00 5.32 H new ATOM 0 HE3 LYS A 594 -3.825 -13.473 5.116 1.00 5.32 H new ATOM 0 HZ1 LYS A 594 -2.279 -12.657 3.293 1.00 5.87 H new ATOM 0 HZ2 LYS A 594 -3.480 -13.780 2.865 1.00 5.87 H new ATOM 0 HZ3 LYS A 594 -3.681 -12.136 2.489 1.00 5.87 H new ATOM 987 N GLY A 595 -9.025 -15.273 6.229 1.00 4.14 N ATOM 988 CA GLY A 595 -9.043 -16.324 7.254 1.00 4.38 C ATOM 989 C GLY A 595 -9.880 -15.995 8.488 1.00 4.00 C ATOM 990 O GLY A 595 -10.294 -16.905 9.212 1.00 4.12 O ATOM 0 H GLY A 595 -9.727 -15.412 5.502 1.00 4.14 H new ATOM 0 HA2 GLY A 595 -9.424 -17.242 6.807 1.00 4.38 H new ATOM 0 HA3 GLY A 595 -8.019 -16.524 7.569 1.00 4.38 H new ATOM 994 N ASN A 596 -10.101 -14.703 8.749 1.00 3.56 N ATOM 995 CA ASN A 596 -10.224 -14.176 10.099 1.00 3.19 C ATOM 996 C ASN A 596 -11.403 -13.179 10.232 1.00 2.87 C ATOM 997 O ASN A 596 -12.475 -13.355 9.643 1.00 3.05 O ATOM 998 CB ASN A 596 -8.891 -13.486 10.464 1.00 3.08 C ATOM 999 CG ASN A 596 -7.565 -14.171 10.217 1.00 3.53 C ATOM 1000 OD1 ASN A 596 -7.441 -15.384 10.106 1.00 3.96 O ATOM 1001 ND2 ASN A 596 -6.517 -13.390 10.253 1.00 3.54 N ATOM 0 H ASN A 596 -10.199 -13.995 8.021 1.00 3.56 H new ATOM 0 HA ASN A 596 -10.435 -14.998 10.783 1.00 3.19 H new ATOM 0 HB2 ASN A 596 -8.865 -12.538 9.927 1.00 3.08 H new ATOM 0 HB3 ASN A 596 -8.935 -13.249 11.527 1.00 3.08 H new ATOM 0 HD21 ASN A 596 -5.581 -13.790 10.188 1.00 3.54 H new ATOM 0 HD22 ASN A 596 -6.636 -12.381 10.346 1.00 3.54 H new ATOM 1008 N LYS A 597 -11.216 -12.153 11.074 1.00 2.53 N ATOM 1009 CA LYS A 597 -12.270 -11.406 11.755 1.00 2.22 C ATOM 1010 C LYS A 597 -12.591 -10.071 11.124 1.00 1.74 C ATOM 1011 O LYS A 597 -11.842 -9.544 10.304 1.00 1.68 O ATOM 1012 CB LYS A 597 -11.957 -11.193 13.256 1.00 2.30 C ATOM 1013 CG LYS A 597 -10.996 -12.163 13.924 1.00 3.19 C ATOM 1014 CD LYS A 597 -11.403 -13.640 13.867 1.00 2.69 C ATOM 1015 CE LYS A 597 -10.099 -14.424 13.827 1.00 3.16 C ATOM 1016 NZ LYS A 597 -10.304 -15.876 14.032 1.00 3.86 N ATOM 0 H LYS A 597 -10.284 -11.810 11.306 1.00 2.53 H new ATOM 0 HA LYS A 597 -13.152 -12.038 11.649 1.00 2.22 H new ATOM 0 HB2 LYS A 597 -11.554 -10.187 13.375 1.00 2.30 H new ATOM 0 HB3 LYS A 597 -12.899 -11.225 13.803 1.00 2.30 H new ATOM 0 HG2 LYS A 597 -10.017 -12.056 13.458 1.00 3.19 H new ATOM 0 HG3 LYS A 597 -10.885 -11.875 14.969 1.00 3.19 H new ATOM 0 HD2 LYS A 597 -11.999 -13.916 14.737 1.00 2.69 H new ATOM 0 HD3 LYS A 597 -12.011 -13.845 12.986 1.00 2.69 H new ATOM 0 HE2 LYS A 597 -9.610 -14.261 12.866 1.00 3.16 H new ATOM 0 HE3 LYS A 597 -9.426 -14.043 14.595 1.00 3.16 H new ATOM 0 HZ1 LYS A 597 -9.387 -16.365 13.996 1.00 3.86 H new ATOM 0 HZ2 LYS A 597 -10.746 -16.037 14.960 1.00 3.86 H new ATOM 0 HZ3 LYS A 597 -10.924 -16.248 13.284 1.00 3.86 H new ATOM 1030 N GLU A 598 -13.675 -9.502 11.634 1.00 1.62 N ATOM 1031 CA GLU A 598 -14.013 -8.097 11.402 1.00 1.37 C ATOM 1032 C GLU A 598 -13.415 -7.183 12.483 1.00 1.12 C ATOM 1033 O GLU A 598 -13.594 -7.370 13.692 1.00 1.29 O ATOM 1034 CB GLU A 598 -15.502 -7.881 11.100 1.00 2.05 C ATOM 1035 CG GLU A 598 -16.479 -8.187 12.234 1.00 2.43 C ATOM 1036 CD GLU A 598 -17.903 -8.262 11.672 1.00 3.30 C ATOM 1037 OE1 GLU A 598 -18.259 -9.291 11.045 1.00 4.46 O ATOM 1038 OE2 GLU A 598 -18.676 -7.282 11.831 1.00 3.54 O ATOM 0 H GLU A 598 -14.347 -9.998 12.220 1.00 1.62 H new ATOM 0 HA GLU A 598 -13.526 -7.785 10.478 1.00 1.37 H new ATOM 0 HB2 GLU A 598 -15.642 -6.843 10.800 1.00 2.05 H new ATOM 0 HB3 GLU A 598 -15.769 -8.499 10.243 1.00 2.05 H new ATOM 0 HG2 GLU A 598 -16.215 -9.130 12.712 1.00 2.43 H new ATOM 0 HG3 GLU A 598 -16.419 -7.414 13.000 1.00 2.43 H new ATOM 1045 N MET A 599 -12.625 -6.225 12.016 1.00 0.98 N ATOM 1046 CA MET A 599 -11.750 -5.336 12.779 1.00 1.07 C ATOM 1047 C MET A 599 -11.998 -3.864 12.452 1.00 1.29 C ATOM 1048 O MET A 599 -12.827 -3.533 11.598 1.00 1.73 O ATOM 1049 CB MET A 599 -10.289 -5.793 12.651 1.00 1.09 C ATOM 1050 CG MET A 599 -10.065 -7.133 13.361 1.00 1.41 C ATOM 1051 SD MET A 599 -8.355 -7.725 13.330 1.00 1.87 S ATOM 1052 CE MET A 599 -8.018 -7.564 11.559 1.00 1.84 C ATOM 0 H MET A 599 -12.573 -6.032 11.016 1.00 0.98 H new ATOM 0 HA MET A 599 -11.996 -5.411 13.838 1.00 1.07 H new ATOM 0 HB2 MET A 599 -10.025 -5.888 11.598 1.00 1.09 H new ATOM 0 HB3 MET A 599 -9.630 -5.037 13.078 1.00 1.09 H new ATOM 0 HG2 MET A 599 -10.384 -7.037 14.399 1.00 1.41 H new ATOM 0 HG3 MET A 599 -10.705 -7.885 12.899 1.00 1.41 H new ATOM 0 HE1 MET A 599 -7.117 -8.124 11.308 1.00 1.84 H new ATOM 0 HE2 MET A 599 -8.861 -7.958 10.991 1.00 1.84 H new ATOM 0 HE3 MET A 599 -7.873 -6.513 11.310 1.00 1.84 H new ATOM 1062 N LYS A 600 -11.283 -2.979 13.146 1.00 1.14 N ATOM 1063 CA LYS A 600 -10.786 -1.705 12.647 1.00 1.08 C ATOM 1064 C LYS A 600 -9.274 -1.679 12.397 1.00 1.03 C ATOM 1065 O LYS A 600 -8.500 -2.404 13.025 1.00 1.18 O ATOM 1066 CB LYS A 600 -11.146 -0.597 13.661 1.00 1.24 C ATOM 1067 CG LYS A 600 -12.476 0.126 13.455 1.00 1.39 C ATOM 1068 CD LYS A 600 -13.731 -0.721 13.274 1.00 1.37 C ATOM 1069 CE LYS A 600 -14.017 -1.628 14.475 1.00 1.40 C ATOM 1070 NZ LYS A 600 -15.346 -2.269 14.365 1.00 2.33 N ATOM 0 H LYS A 600 -11.024 -3.143 14.119 1.00 1.14 H new ATOM 0 HA LYS A 600 -11.262 -1.542 11.680 1.00 1.08 H new ATOM 0 HB2 LYS A 600 -11.151 -1.038 14.658 1.00 1.24 H new ATOM 0 HB3 LYS A 600 -10.350 0.147 13.646 1.00 1.24 H new ATOM 0 HG2 LYS A 600 -12.636 0.781 14.311 1.00 1.39 H new ATOM 0 HG3 LYS A 600 -12.376 0.766 12.578 1.00 1.39 H new ATOM 0 HD2 LYS A 600 -14.585 -0.065 13.109 1.00 1.37 H new ATOM 0 HD3 LYS A 600 -13.623 -1.334 12.379 1.00 1.37 H new ATOM 0 HE2 LYS A 600 -13.246 -2.396 14.545 1.00 1.40 H new ATOM 0 HE3 LYS A 600 -13.969 -1.043 15.394 1.00 1.40 H new ATOM 0 HZ1 LYS A 600 -15.508 -2.876 15.194 1.00 2.33 H new ATOM 0 HZ2 LYS A 600 -16.083 -1.536 14.323 1.00 2.33 H new ATOM 0 HZ3 LYS A 600 -15.383 -2.846 13.501 1.00 2.33 H new ATOM 1084 N LEU A 601 -8.887 -0.767 11.506 1.00 0.90 N ATOM 1085 CA LEU A 601 -7.514 -0.297 11.237 1.00 0.86 C ATOM 1086 C LEU A 601 -7.483 1.244 11.235 1.00 0.84 C ATOM 1087 O LEU A 601 -8.489 1.881 10.933 1.00 0.83 O ATOM 1088 CB LEU A 601 -7.003 -0.841 9.880 1.00 0.83 C ATOM 1089 CG LEU A 601 -5.810 -1.804 9.945 1.00 0.86 C ATOM 1090 CD1 LEU A 601 -6.249 -3.140 10.531 1.00 0.85 C ATOM 1091 CD2 LEU A 601 -5.294 -2.067 8.527 1.00 0.94 C ATOM 0 H LEU A 601 -9.567 -0.299 10.907 1.00 0.90 H new ATOM 0 HA LEU A 601 -6.858 -0.670 12.023 1.00 0.86 H new ATOM 0 HB2 LEU A 601 -7.828 -1.350 9.382 1.00 0.83 H new ATOM 0 HB3 LEU A 601 -6.726 0.006 9.253 1.00 0.83 H new ATOM 0 HG LEU A 601 -5.034 -1.356 10.566 1.00 0.86 H new ATOM 0 HD11 LEU A 601 -5.396 -3.817 10.573 1.00 0.85 H new ATOM 0 HD12 LEU A 601 -6.640 -2.985 11.537 1.00 0.85 H new ATOM 0 HD13 LEU A 601 -7.026 -3.575 9.903 1.00 0.85 H new ATOM 0 HD21 LEU A 601 -4.446 -2.751 8.569 1.00 0.94 H new ATOM 0 HD22 LEU A 601 -6.089 -2.511 7.927 1.00 0.94 H new ATOM 0 HD23 LEU A 601 -4.979 -1.127 8.074 1.00 0.94 H new ATOM 1103 N SER A 602 -6.336 1.857 11.527 1.00 0.90 N ATOM 1104 CA SER A 602 -6.184 3.320 11.616 1.00 0.98 C ATOM 1105 C SER A 602 -4.788 3.791 11.173 1.00 0.87 C ATOM 1106 O SER A 602 -4.009 3.028 10.603 1.00 0.91 O ATOM 1107 CB SER A 602 -6.568 3.773 13.032 1.00 1.54 C ATOM 1108 OG SER A 602 -6.649 5.182 13.190 1.00 3.46 O ATOM 0 H SER A 602 -5.471 1.350 11.712 1.00 0.90 H new ATOM 0 HA SER A 602 -6.864 3.800 10.912 1.00 0.98 H new ATOM 0 HB2 SER A 602 -7.530 3.333 13.294 1.00 1.54 H new ATOM 0 HB3 SER A 602 -5.836 3.381 13.738 1.00 1.54 H new ATOM 0 HG SER A 602 -7.106 5.572 12.416 1.00 3.46 H new ATOM 1114 N ASP A 603 -4.521 5.085 11.332 1.00 0.92 N ATOM 1115 CA ASP A 603 -3.379 5.834 10.786 1.00 1.04 C ATOM 1116 C ASP A 603 -2.016 5.110 10.846 1.00 1.03 C ATOM 1117 O ASP A 603 -1.669 4.462 11.841 1.00 1.07 O ATOM 1118 CB ASP A 603 -3.310 7.215 11.455 1.00 1.32 C ATOM 1119 CG ASP A 603 -3.013 7.177 12.957 1.00 1.56 C ATOM 1120 OD1 ASP A 603 -3.959 7.002 13.763 1.00 2.38 O ATOM 1121 OD2 ASP A 603 -1.846 7.398 13.357 1.00 1.73 O ATOM 0 H ASP A 603 -5.136 5.684 11.883 1.00 0.92 H new ATOM 0 HA ASP A 603 -3.570 5.934 9.717 1.00 1.04 H new ATOM 0 HB2 ASP A 603 -2.540 7.807 10.960 1.00 1.32 H new ATOM 0 HB3 ASP A 603 -4.258 7.729 11.297 1.00 1.32 H new ATOM 1126 N GLY A 604 -1.257 5.212 9.749 1.00 1.07 N ATOM 1127 CA GLY A 604 0.038 4.555 9.532 1.00 1.11 C ATOM 1128 C GLY A 604 -0.033 3.072 9.141 1.00 1.06 C ATOM 1129 O GLY A 604 1.003 2.424 8.987 1.00 1.20 O ATOM 0 H GLY A 604 -1.541 5.781 8.952 1.00 1.07 H new ATOM 0 HA2 GLY A 604 0.573 5.094 8.750 1.00 1.11 H new ATOM 0 HA3 GLY A 604 0.629 4.645 10.443 1.00 1.11 H new ATOM 1133 N SER A 605 -1.239 2.527 8.970 1.00 0.94 N ATOM 1134 CA SER A 605 -1.482 1.154 8.503 1.00 0.90 C ATOM 1135 C SER A 605 -1.601 1.061 6.982 1.00 0.87 C ATOM 1136 O SER A 605 -1.750 2.072 6.298 1.00 0.84 O ATOM 1137 CB SER A 605 -2.746 0.605 9.156 1.00 0.82 C ATOM 1138 OG SER A 605 -2.628 0.678 10.562 1.00 0.91 O ATOM 0 H SER A 605 -2.100 3.040 9.157 1.00 0.94 H new ATOM 0 HA SER A 605 -0.618 0.556 8.794 1.00 0.90 H new ATOM 0 HB2 SER A 605 -3.614 1.174 8.825 1.00 0.82 H new ATOM 0 HB3 SER A 605 -2.906 -0.428 8.848 1.00 0.82 H new ATOM 0 HG SER A 605 -3.082 1.483 10.887 1.00 0.91 H new ATOM 1144 N TYR A 606 -1.548 -0.154 6.434 1.00 0.89 N ATOM 1145 CA TYR A 606 -1.522 -0.379 4.986 1.00 0.91 C ATOM 1146 C TYR A 606 -2.175 -1.701 4.563 1.00 0.93 C ATOM 1147 O TYR A 606 -2.171 -2.677 5.318 1.00 1.07 O ATOM 1148 CB TYR A 606 -0.073 -0.320 4.493 1.00 1.11 C ATOM 1149 CG TYR A 606 0.809 -1.439 5.010 1.00 1.19 C ATOM 1150 CD1 TYR A 606 1.370 -1.359 6.300 1.00 2.67 C ATOM 1151 CD2 TYR A 606 1.044 -2.573 4.210 1.00 1.73 C ATOM 1152 CE1 TYR A 606 2.141 -2.423 6.799 1.00 3.23 C ATOM 1153 CE2 TYR A 606 1.849 -3.619 4.691 1.00 2.22 C ATOM 1154 CZ TYR A 606 2.387 -3.557 5.996 1.00 2.59 C ATOM 1155 OH TYR A 606 3.156 -4.571 6.470 1.00 3.41 O ATOM 0 H TYR A 606 -1.522 -1.013 6.983 1.00 0.89 H new ATOM 0 HA TYR A 606 -2.115 0.411 4.525 1.00 0.91 H new ATOM 0 HB2 TYR A 606 -0.071 -0.346 3.403 1.00 1.11 H new ATOM 0 HB3 TYR A 606 0.361 0.635 4.790 1.00 1.11 H new ATOM 0 HD1 TYR A 606 1.208 -0.480 6.906 1.00 2.67 H new ATOM 0 HD2 TYR A 606 0.605 -2.639 3.225 1.00 1.73 H new ATOM 0 HE1 TYR A 606 2.546 -2.373 7.799 1.00 3.23 H new ATOM 0 HE2 TYR A 606 2.057 -4.472 4.062 1.00 2.22 H new ATOM 0 HH TYR A 606 3.224 -5.275 5.791 1.00 3.41 H new ATOM 1165 N PHE A 607 -2.717 -1.721 3.345 1.00 0.85 N ATOM 1166 CA PHE A 607 -3.479 -2.841 2.770 1.00 0.93 C ATOM 1167 C PHE A 607 -3.361 -2.894 1.231 1.00 1.17 C ATOM 1168 O PHE A 607 -2.632 -2.112 0.616 1.00 1.51 O ATOM 1169 CB PHE A 607 -4.939 -2.751 3.264 1.00 1.25 C ATOM 1170 CG PHE A 607 -5.533 -1.352 3.329 1.00 0.83 C ATOM 1171 CD1 PHE A 607 -5.455 -0.484 2.223 1.00 1.93 C ATOM 1172 CD2 PHE A 607 -6.136 -0.905 4.520 1.00 1.86 C ATOM 1173 CE1 PHE A 607 -5.942 0.829 2.318 1.00 2.23 C ATOM 1174 CE2 PHE A 607 -6.635 0.405 4.604 1.00 1.77 C ATOM 1175 CZ PHE A 607 -6.519 1.280 3.516 1.00 1.28 C ATOM 0 H PHE A 607 -2.637 -0.931 2.705 1.00 0.85 H new ATOM 0 HA PHE A 607 -3.056 -3.785 3.114 1.00 0.93 H new ATOM 0 HB2 PHE A 607 -5.562 -3.359 2.609 1.00 1.25 H new ATOM 0 HB3 PHE A 607 -4.994 -3.195 4.258 1.00 1.25 H new ATOM 0 HD1 PHE A 607 -5.019 -0.830 1.298 1.00 1.93 H new ATOM 0 HD2 PHE A 607 -6.215 -1.569 5.368 1.00 1.86 H new ATOM 0 HE1 PHE A 607 -5.873 1.493 1.469 1.00 2.23 H new ATOM 0 HE2 PHE A 607 -7.111 0.740 5.513 1.00 1.77 H new ATOM 0 HZ PHE A 607 -6.872 2.297 3.598 1.00 1.28 H new ATOM 1185 N GLY A 608 -4.052 -3.843 0.595 1.00 1.34 N ATOM 1186 CA GLY A 608 -4.227 -3.898 -0.865 1.00 1.85 C ATOM 1187 C GLY A 608 -3.989 -5.266 -1.514 1.00 2.12 C ATOM 1188 O GLY A 608 -4.323 -5.418 -2.687 1.00 3.45 O ATOM 0 H GLY A 608 -4.515 -4.609 1.085 1.00 1.34 H new ATOM 0 HA2 GLY A 608 -5.241 -3.575 -1.103 1.00 1.85 H new ATOM 0 HA3 GLY A 608 -3.548 -3.177 -1.321 1.00 1.85 H new ATOM 1192 N GLU A 609 -3.475 -6.239 -0.753 1.00 1.88 N ATOM 1193 CA GLU A 609 -3.362 -7.690 -1.010 1.00 2.38 C ATOM 1194 C GLU A 609 -2.552 -8.168 -2.240 1.00 2.40 C ATOM 1195 O GLU A 609 -1.863 -9.188 -2.167 1.00 2.88 O ATOM 1196 CB GLU A 609 -4.782 -8.281 -0.985 1.00 3.74 C ATOM 1197 CG GLU A 609 -4.834 -9.774 -0.647 1.00 4.46 C ATOM 1198 CD GLU A 609 -4.481 -10.126 0.805 1.00 5.10 C ATOM 1199 OE1 GLU A 609 -4.681 -9.296 1.728 1.00 5.92 O ATOM 1200 OE2 GLU A 609 -4.114 -11.306 1.030 1.00 5.70 O ATOM 0 H GLU A 609 -3.083 -6.009 0.160 1.00 1.88 H new ATOM 0 HA GLU A 609 -2.730 -8.073 -0.209 1.00 2.38 H new ATOM 0 HB2 GLU A 609 -5.379 -7.734 -0.255 1.00 3.74 H new ATOM 0 HB3 GLU A 609 -5.246 -8.124 -1.959 1.00 3.74 H new ATOM 0 HG2 GLU A 609 -5.837 -10.144 -0.861 1.00 4.46 H new ATOM 0 HG3 GLU A 609 -4.150 -10.305 -1.310 1.00 4.46 H new ATOM 1207 N ILE A 610 -2.590 -7.454 -3.366 1.00 3.22 N ATOM 1208 CA ILE A 610 -1.794 -7.737 -4.567 1.00 3.95 C ATOM 1209 C ILE A 610 -0.370 -7.200 -4.354 1.00 2.81 C ATOM 1210 O ILE A 610 -0.191 -6.088 -3.845 1.00 3.55 O ATOM 1211 CB ILE A 610 -2.468 -7.144 -5.832 1.00 6.03 C ATOM 1212 CG1 ILE A 610 -3.774 -7.872 -6.243 1.00 7.65 C ATOM 1213 CG2 ILE A 610 -1.514 -7.206 -7.044 1.00 6.85 C ATOM 1214 CD1 ILE A 610 -4.983 -7.663 -5.318 1.00 8.30 C ATOM 0 H ILE A 610 -3.193 -6.638 -3.473 1.00 3.22 H new ATOM 0 HA ILE A 610 -1.736 -8.813 -4.731 1.00 3.95 H new ATOM 0 HB ILE A 610 -2.710 -6.116 -5.562 1.00 6.03 H new ATOM 0 HG12 ILE A 610 -4.048 -7.545 -7.246 1.00 7.65 H new ATOM 0 HG13 ILE A 610 -3.567 -8.941 -6.302 1.00 7.65 H new ATOM 0 HG21 ILE A 610 -2.009 -6.784 -7.919 1.00 6.85 H new ATOM 0 HG22 ILE A 610 -0.612 -6.634 -6.827 1.00 6.85 H new ATOM 0 HG23 ILE A 610 -1.246 -8.244 -7.244 1.00 6.85 H new ATOM 0 HD11 ILE A 610 -5.837 -8.219 -5.705 1.00 8.30 H new ATOM 0 HD12 ILE A 610 -4.741 -8.020 -4.317 1.00 8.30 H new ATOM 0 HD13 ILE A 610 -5.230 -6.602 -5.276 1.00 8.30 H new ATOM 1226 N CYS A 611 0.645 -7.967 -4.767 1.00 2.21 N ATOM 1227 CA CYS A 611 2.052 -7.569 -4.687 1.00 2.06 C ATOM 1228 C CYS A 611 2.781 -7.501 -6.039 1.00 1.74 C ATOM 1229 O CYS A 611 2.292 -7.956 -7.075 1.00 2.51 O ATOM 1230 CB CYS A 611 2.756 -8.380 -3.589 1.00 3.63 C ATOM 1231 SG CYS A 611 4.105 -7.378 -2.889 1.00 5.13 S ATOM 0 H CYS A 611 0.509 -8.894 -5.171 1.00 2.21 H new ATOM 0 HA CYS A 611 2.091 -6.523 -4.384 1.00 2.06 H new ATOM 0 HB2 CYS A 611 2.046 -8.654 -2.809 1.00 3.63 H new ATOM 0 HB3 CYS A 611 3.151 -9.309 -4.001 1.00 3.63 H new ATOM 0 HG CYS A 611 4.708 -8.053 -1.956 1.00 5.13 H new ATOM 1237 N LEU A 612 3.947 -6.856 -6.013 1.00 1.59 N ATOM 1238 CA LEU A 612 4.719 -6.337 -7.149 1.00 1.62 C ATOM 1239 C LEU A 612 5.089 -7.400 -8.189 1.00 1.97 C ATOM 1240 O LEU A 612 5.156 -7.061 -9.370 1.00 2.25 O ATOM 1241 CB LEU A 612 5.990 -5.703 -6.548 1.00 1.93 C ATOM 1242 CG LEU A 612 5.683 -4.395 -5.798 1.00 1.41 C ATOM 1243 CD1 LEU A 612 6.612 -4.186 -4.614 1.00 1.83 C ATOM 1244 CD2 LEU A 612 5.816 -3.168 -6.693 1.00 1.05 C ATOM 0 H LEU A 612 4.416 -6.666 -5.127 1.00 1.59 H new ATOM 0 HA LEU A 612 4.109 -5.618 -7.697 1.00 1.62 H new ATOM 0 HB2 LEU A 612 6.460 -6.411 -5.865 1.00 1.93 H new ATOM 0 HB3 LEU A 612 6.707 -5.504 -7.344 1.00 1.93 H new ATOM 0 HG LEU A 612 4.652 -4.501 -5.459 1.00 1.41 H new ATOM 0 HD11 LEU A 612 6.359 -3.251 -4.114 1.00 1.83 H new ATOM 0 HD12 LEU A 612 6.501 -5.014 -3.914 1.00 1.83 H new ATOM 0 HD13 LEU A 612 7.643 -4.143 -4.964 1.00 1.83 H new ATOM 0 HD21 LEU A 612 5.589 -2.271 -6.117 1.00 1.05 H new ATOM 0 HD22 LEU A 612 6.835 -3.105 -7.076 1.00 1.05 H new ATOM 0 HD23 LEU A 612 5.119 -3.249 -7.527 1.00 1.05 H new ATOM 1256 N LEU A 613 5.278 -8.653 -7.768 1.00 2.18 N ATOM 1257 CA LEU A 613 5.570 -9.803 -8.634 1.00 2.66 C ATOM 1258 C LEU A 613 4.537 -10.932 -8.482 1.00 2.45 C ATOM 1259 O LEU A 613 4.744 -12.021 -9.017 1.00 2.80 O ATOM 1260 CB LEU A 613 7.008 -10.308 -8.380 1.00 3.20 C ATOM 1261 CG LEU A 613 8.078 -9.225 -8.606 1.00 4.26 C ATOM 1262 CD1 LEU A 613 8.476 -8.522 -7.305 1.00 4.28 C ATOM 1263 CD2 LEU A 613 9.354 -9.825 -9.196 1.00 5.40 C ATOM 0 H LEU A 613 5.231 -8.906 -6.781 1.00 2.18 H new ATOM 0 HA LEU A 613 5.497 -9.466 -9.668 1.00 2.66 H new ATOM 0 HB2 LEU A 613 7.082 -10.675 -7.356 1.00 3.20 H new ATOM 0 HB3 LEU A 613 7.211 -11.153 -9.037 1.00 3.20 H new ATOM 0 HG LEU A 613 7.628 -8.508 -9.293 1.00 4.26 H new ATOM 0 HD11 LEU A 613 9.233 -7.767 -7.516 1.00 4.28 H new ATOM 0 HD12 LEU A 613 7.600 -8.044 -6.867 1.00 4.28 H new ATOM 0 HD13 LEU A 613 8.879 -9.254 -6.605 1.00 4.28 H new ATOM 0 HD21 LEU A 613 10.092 -9.037 -9.345 1.00 5.40 H new ATOM 0 HD22 LEU A 613 9.755 -10.573 -8.511 1.00 5.40 H new ATOM 0 HD23 LEU A 613 9.127 -10.294 -10.153 1.00 5.40 H new ATOM 1275 N THR A 614 3.444 -10.687 -7.747 1.00 2.02 N ATOM 1276 CA THR A 614 2.458 -11.739 -7.399 1.00 1.83 C ATOM 1277 C THR A 614 1.804 -12.438 -8.603 1.00 2.13 C ATOM 1278 O THR A 614 1.733 -11.890 -9.706 1.00 2.87 O ATOM 1279 CB THR A 614 1.385 -11.214 -6.428 1.00 2.42 C ATOM 1280 OG1 THR A 614 1.022 -12.229 -5.524 1.00 2.57 O ATOM 1281 CG2 THR A 614 0.097 -10.695 -7.066 1.00 3.86 C ATOM 0 H THR A 614 3.212 -9.765 -7.376 1.00 2.02 H new ATOM 0 HA THR A 614 3.048 -12.508 -6.900 1.00 1.83 H new ATOM 0 HB THR A 614 1.862 -10.359 -5.948 1.00 2.42 H new ATOM 0 HG1 THR A 614 0.340 -11.889 -4.907 1.00 2.57 H new ATOM 0 HG21 THR A 614 -0.583 -10.352 -6.286 1.00 3.86 H new ATOM 0 HG22 THR A 614 0.330 -9.866 -7.734 1.00 3.86 H new ATOM 0 HG23 THR A 614 -0.376 -11.496 -7.634 1.00 3.86 H new ATOM 1289 N ARG A 615 1.262 -13.638 -8.365 1.00 2.15 N ATOM 1290 CA ARG A 615 0.605 -14.506 -9.364 1.00 2.88 C ATOM 1291 C ARG A 615 -0.781 -14.963 -8.887 1.00 2.72 C ATOM 1292 O ARG A 615 -0.931 -15.468 -7.774 1.00 2.82 O ATOM 1293 CB ARG A 615 1.555 -15.683 -9.680 1.00 3.89 C ATOM 1294 CG ARG A 615 1.010 -16.704 -10.694 1.00 4.62 C ATOM 1295 CD ARG A 615 2.053 -17.793 -11.002 1.00 5.53 C ATOM 1296 NE ARG A 615 1.420 -19.008 -11.552 1.00 6.85 N ATOM 1297 CZ ARG A 615 1.409 -19.462 -12.791 1.00 7.70 C ATOM 1298 NH1 ARG A 615 1.999 -18.884 -13.797 1.00 7.57 N ATOM 1299 NH2 ARG A 615 0.761 -20.557 -13.034 1.00 9.08 N ATOM 0 H ARG A 615 1.267 -14.053 -7.433 1.00 2.15 H new ATOM 0 HA ARG A 615 0.421 -13.951 -10.284 1.00 2.88 H new ATOM 0 HB2 ARG A 615 2.494 -15.281 -10.061 1.00 3.89 H new ATOM 0 HB3 ARG A 615 1.785 -16.204 -8.751 1.00 3.89 H new ATOM 0 HG2 ARG A 615 0.105 -17.165 -10.299 1.00 4.62 H new ATOM 0 HG3 ARG A 615 0.731 -16.192 -11.615 1.00 4.62 H new ATOM 0 HD2 ARG A 615 2.783 -17.408 -11.714 1.00 5.53 H new ATOM 0 HD3 ARG A 615 2.597 -18.045 -10.092 1.00 5.53 H new ATOM 0 HE ARG A 615 0.917 -19.581 -10.874 1.00 6.85 H new ATOM 0 HH11 ARG A 615 2.516 -18.016 -13.655 1.00 7.57 H new ATOM 0 HH12 ARG A 615 1.944 -19.299 -14.727 1.00 7.57 H new ATOM 0 HH21 ARG A 615 0.278 -21.042 -12.278 1.00 9.08 H new ATOM 0 HH22 ARG A 615 0.734 -20.934 -13.981 1.00 9.08 H new ATOM 1313 N GLY A 616 -1.793 -14.837 -9.745 1.00 2.96 N ATOM 1314 CA GLY A 616 -3.165 -15.303 -9.492 1.00 3.03 C ATOM 1315 C GLY A 616 -3.980 -14.505 -8.454 1.00 2.73 C ATOM 1316 O GLY A 616 -3.444 -13.706 -7.676 1.00 2.83 O ATOM 0 H GLY A 616 -1.683 -14.398 -10.659 1.00 2.96 H new ATOM 0 HA2 GLY A 616 -3.709 -15.291 -10.436 1.00 3.03 H new ATOM 0 HA3 GLY A 616 -3.118 -16.342 -9.164 1.00 3.03 H new ATOM 1320 N ARG A 617 -5.299 -14.746 -8.467 1.00 2.70 N ATOM 1321 CA ARG A 617 -6.343 -14.066 -7.666 1.00 2.53 C ATOM 1322 C ARG A 617 -6.076 -14.096 -6.154 1.00 2.49 C ATOM 1323 O ARG A 617 -5.436 -15.007 -5.620 1.00 2.69 O ATOM 1324 CB ARG A 617 -7.708 -14.725 -7.949 1.00 2.79 C ATOM 1325 CG ARG A 617 -8.206 -14.564 -9.394 1.00 2.46 C ATOM 1326 CD ARG A 617 -8.614 -13.121 -9.719 1.00 1.84 C ATOM 1327 NE ARG A 617 -9.135 -13.015 -11.094 1.00 2.01 N ATOM 1328 CZ ARG A 617 -10.398 -13.057 -11.475 1.00 2.43 C ATOM 1329 NH1 ARG A 617 -11.388 -13.280 -10.661 1.00 3.02 N ATOM 1330 NH2 ARG A 617 -10.672 -12.865 -12.727 1.00 3.46 N ATOM 0 H ARG A 617 -5.696 -15.464 -9.073 1.00 2.70 H new ATOM 0 HA ARG A 617 -6.335 -13.018 -7.967 1.00 2.53 H new ATOM 0 HB2 ARG A 617 -7.639 -15.788 -7.718 1.00 2.79 H new ATOM 0 HB3 ARG A 617 -8.450 -14.300 -7.273 1.00 2.79 H new ATOM 0 HG2 ARG A 617 -7.422 -14.880 -10.082 1.00 2.46 H new ATOM 0 HG3 ARG A 617 -9.058 -15.224 -9.557 1.00 2.46 H new ATOM 0 HD2 ARG A 617 -9.373 -12.786 -9.012 1.00 1.84 H new ATOM 0 HD3 ARG A 617 -7.755 -12.461 -9.600 1.00 1.84 H new ATOM 0 HE ARG A 617 -8.442 -12.896 -11.833 1.00 2.01 H new ATOM 0 HH11 ARG A 617 -11.208 -13.434 -9.669 1.00 3.02 H new ATOM 0 HH12 ARG A 617 -12.344 -13.301 -11.015 1.00 3.02 H new ATOM 0 HH21 ARG A 617 -9.920 -12.687 -13.392 1.00 3.46 H new ATOM 0 HH22 ARG A 617 -11.640 -12.892 -13.047 1.00 3.46 H new ATOM 1344 N ARG A 618 -6.616 -13.082 -5.485 1.00 2.47 N ATOM 1345 CA ARG A 618 -6.547 -12.771 -4.049 1.00 2.39 C ATOM 1346 C ARG A 618 -7.952 -12.775 -3.421 1.00 2.84 C ATOM 1347 O ARG A 618 -8.944 -13.013 -4.111 1.00 3.78 O ATOM 1348 CB ARG A 618 -5.855 -11.402 -3.886 1.00 2.20 C ATOM 1349 CG ARG A 618 -4.427 -11.297 -4.452 1.00 2.59 C ATOM 1350 CD ARG A 618 -3.435 -12.247 -3.772 1.00 3.07 C ATOM 1351 NE ARG A 618 -2.977 -13.328 -4.664 1.00 4.29 N ATOM 1352 CZ ARG A 618 -2.449 -14.470 -4.270 1.00 5.17 C ATOM 1353 NH1 ARG A 618 -2.328 -14.797 -3.014 1.00 5.35 N ATOM 1354 NH2 ARG A 618 -2.015 -15.324 -5.146 1.00 6.43 N ATOM 0 H ARG A 618 -7.170 -12.383 -5.980 1.00 2.47 H new ATOM 0 HA ARG A 618 -5.969 -13.533 -3.526 1.00 2.39 H new ATOM 0 HB2 ARG A 618 -6.473 -10.645 -4.369 1.00 2.20 H new ATOM 0 HB3 ARG A 618 -5.823 -11.157 -2.824 1.00 2.20 H new ATOM 0 HG2 ARG A 618 -4.450 -11.511 -5.521 1.00 2.59 H new ATOM 0 HG3 ARG A 618 -4.073 -10.272 -4.340 1.00 2.59 H new ATOM 0 HD2 ARG A 618 -2.572 -11.678 -3.426 1.00 3.07 H new ATOM 0 HD3 ARG A 618 -3.903 -12.684 -2.890 1.00 3.07 H new ATOM 0 HE ARG A 618 -3.077 -13.180 -5.668 1.00 4.29 H new ATOM 0 HH11 ARG A 618 -2.649 -14.157 -2.287 1.00 5.35 H new ATOM 0 HH12 ARG A 618 -1.913 -15.693 -2.758 1.00 5.35 H new ATOM 0 HH21 ARG A 618 -2.082 -15.112 -6.141 1.00 6.43 H new ATOM 0 HH22 ARG A 618 -1.607 -16.207 -4.839 1.00 6.43 H new ATOM 1368 N THR A 619 -8.053 -12.548 -2.110 1.00 2.51 N ATOM 1369 CA THR A 619 -9.303 -12.083 -1.471 1.00 2.55 C ATOM 1370 C THR A 619 -9.044 -10.962 -0.452 1.00 1.96 C ATOM 1371 O THR A 619 -8.068 -11.026 0.305 1.00 1.87 O ATOM 1372 CB THR A 619 -10.107 -13.243 -0.861 1.00 3.18 C ATOM 1373 OG1 THR A 619 -11.378 -12.748 -0.520 1.00 3.08 O ATOM 1374 CG2 THR A 619 -9.497 -13.856 0.400 1.00 4.70 C ATOM 0 H THR A 619 -7.280 -12.678 -1.457 1.00 2.51 H new ATOM 0 HA THR A 619 -9.921 -11.656 -2.261 1.00 2.55 H new ATOM 0 HB THR A 619 -10.127 -14.033 -1.612 1.00 3.18 H new ATOM 0 HG1 THR A 619 -11.915 -13.468 -0.129 1.00 3.08 H new ATOM 0 HG21 THR A 619 -10.134 -14.665 0.756 1.00 4.70 H new ATOM 0 HG22 THR A 619 -8.506 -14.248 0.171 1.00 4.70 H new ATOM 0 HG23 THR A 619 -9.415 -13.092 1.173 1.00 4.70 H new ATOM 1382 N ALA A 620 -9.882 -9.916 -0.449 1.00 1.81 N ATOM 1383 CA ALA A 620 -9.787 -8.760 0.450 1.00 1.47 C ATOM 1384 C ALA A 620 -11.123 -8.000 0.571 1.00 1.40 C ATOM 1385 O ALA A 620 -11.867 -7.895 -0.410 1.00 1.76 O ATOM 1386 CB ALA A 620 -8.682 -7.823 -0.061 1.00 1.87 C ATOM 0 H ALA A 620 -10.670 -9.850 -1.094 1.00 1.81 H new ATOM 0 HA ALA A 620 -9.543 -9.123 1.448 1.00 1.47 H new ATOM 0 HB1 ALA A 620 -8.602 -6.960 0.600 1.00 1.87 H new ATOM 0 HB2 ALA A 620 -7.732 -8.356 -0.077 1.00 1.87 H new ATOM 0 HB3 ALA A 620 -8.927 -7.487 -1.069 1.00 1.87 H new ATOM 1392 N SER A 621 -11.405 -7.425 1.747 1.00 1.29 N ATOM 1393 CA SER A 621 -12.606 -6.614 2.008 1.00 1.33 C ATOM 1394 C SER A 621 -12.382 -5.610 3.143 1.00 1.26 C ATOM 1395 O SER A 621 -12.132 -5.977 4.293 1.00 1.31 O ATOM 1396 CB SER A 621 -13.798 -7.509 2.359 1.00 1.38 C ATOM 1397 OG SER A 621 -14.981 -6.725 2.356 1.00 2.22 O ATOM 0 H SER A 621 -10.795 -7.511 2.560 1.00 1.29 H new ATOM 0 HA SER A 621 -12.818 -6.060 1.093 1.00 1.33 H new ATOM 0 HB2 SER A 621 -13.883 -8.322 1.638 1.00 1.38 H new ATOM 0 HB3 SER A 621 -13.651 -7.965 3.338 1.00 1.38 H new ATOM 0 HG SER A 621 -15.749 -7.291 2.578 1.00 2.22 H new ATOM 1403 N VAL A 622 -12.460 -4.318 2.825 1.00 1.13 N ATOM 1404 CA VAL A 622 -12.377 -3.217 3.798 1.00 0.97 C ATOM 1405 C VAL A 622 -13.089 -1.949 3.293 1.00 0.96 C ATOM 1406 O VAL A 622 -13.043 -1.622 2.098 1.00 1.02 O ATOM 1407 CB VAL A 622 -10.907 -3.000 4.233 1.00 0.92 C ATOM 1408 CG1 VAL A 622 -9.916 -2.889 3.077 1.00 1.02 C ATOM 1409 CG2 VAL A 622 -10.716 -1.808 5.167 1.00 0.78 C ATOM 0 H VAL A 622 -12.585 -3.996 1.865 1.00 1.13 H new ATOM 0 HA VAL A 622 -12.925 -3.492 4.699 1.00 0.97 H new ATOM 0 HB VAL A 622 -10.682 -3.916 4.780 1.00 0.92 H new ATOM 0 HG11 VAL A 622 -8.911 -2.738 3.472 1.00 1.02 H new ATOM 0 HG12 VAL A 622 -9.940 -3.806 2.488 1.00 1.02 H new ATOM 0 HG13 VAL A 622 -10.188 -2.044 2.445 1.00 1.02 H new ATOM 0 HG21 VAL A 622 -9.662 -1.717 5.430 1.00 0.78 H new ATOM 0 HG22 VAL A 622 -11.045 -0.897 4.667 1.00 0.78 H new ATOM 0 HG23 VAL A 622 -11.304 -1.957 6.072 1.00 0.78 H new ATOM 1419 N ARG A 623 -13.742 -1.215 4.206 1.00 0.95 N ATOM 1420 CA ARG A 623 -14.428 0.065 3.950 1.00 1.01 C ATOM 1421 C ARG A 623 -14.077 1.135 4.983 1.00 0.90 C ATOM 1422 O ARG A 623 -13.589 0.835 6.069 1.00 0.83 O ATOM 1423 CB ARG A 623 -15.952 -0.137 3.788 1.00 1.29 C ATOM 1424 CG ARG A 623 -16.794 -0.359 5.053 1.00 1.45 C ATOM 1425 CD ARG A 623 -16.805 -1.807 5.549 1.00 1.57 C ATOM 1426 NE ARG A 623 -17.643 -1.937 6.753 1.00 2.03 N ATOM 1427 CZ ARG A 623 -17.872 -3.046 7.428 1.00 3.10 C ATOM 1428 NH1 ARG A 623 -17.434 -4.211 7.057 1.00 3.67 N ATOM 1429 NH2 ARG A 623 -18.561 -3.012 8.526 1.00 4.20 N ATOM 0 H ARG A 623 -13.811 -1.506 5.181 1.00 0.95 H new ATOM 0 HA ARG A 623 -14.056 0.446 2.999 1.00 1.01 H new ATOM 0 HB2 ARG A 623 -16.350 0.737 3.272 1.00 1.29 H new ATOM 0 HB3 ARG A 623 -16.106 -0.993 3.131 1.00 1.29 H new ATOM 0 HG2 ARG A 623 -16.413 0.283 5.847 1.00 1.45 H new ATOM 0 HG3 ARG A 623 -17.819 -0.046 4.854 1.00 1.45 H new ATOM 0 HD2 ARG A 623 -17.182 -2.463 4.764 1.00 1.57 H new ATOM 0 HD3 ARG A 623 -15.787 -2.129 5.771 1.00 1.57 H new ATOM 0 HE ARG A 623 -18.089 -1.087 7.098 1.00 2.03 H new ATOM 0 HH11 ARG A 623 -16.882 -4.300 6.204 1.00 3.67 H new ATOM 0 HH12 ARG A 623 -17.642 -5.037 7.619 1.00 3.67 H new ATOM 0 HH21 ARG A 623 -18.928 -2.125 8.870 1.00 4.20 H new ATOM 0 HH22 ARG A 623 -18.736 -3.872 9.045 1.00 4.20 H new ATOM 1443 N ALA A 624 -14.310 2.397 4.651 1.00 0.90 N ATOM 1444 CA ALA A 624 -14.093 3.512 5.568 1.00 0.80 C ATOM 1445 C ALA A 624 -15.128 3.515 6.716 1.00 0.96 C ATOM 1446 O ALA A 624 -16.335 3.439 6.469 1.00 1.16 O ATOM 1447 CB ALA A 624 -14.127 4.795 4.736 1.00 0.80 C ATOM 0 H ALA A 624 -14.656 2.680 3.734 1.00 0.90 H new ATOM 0 HA ALA A 624 -13.126 3.423 6.062 1.00 0.80 H new ATOM 0 HB1 ALA A 624 -13.968 5.655 5.387 1.00 0.80 H new ATOM 0 HB2 ALA A 624 -13.341 4.761 3.982 1.00 0.80 H new ATOM 0 HB3 ALA A 624 -15.096 4.885 4.246 1.00 0.80 H new ATOM 1453 N ASP A 625 -14.677 3.654 7.971 1.00 0.96 N ATOM 1454 CA ASP A 625 -15.569 3.900 9.126 1.00 1.17 C ATOM 1455 C ASP A 625 -16.090 5.345 9.144 1.00 1.34 C ATOM 1456 O ASP A 625 -17.109 5.684 9.743 1.00 1.53 O ATOM 1457 CB ASP A 625 -14.784 3.710 10.434 1.00 1.20 C ATOM 1458 CG ASP A 625 -15.706 3.645 11.660 1.00 1.60 C ATOM 1459 OD1 ASP A 625 -16.763 2.965 11.621 1.00 2.49 O ATOM 1460 OD2 ASP A 625 -15.399 4.328 12.663 1.00 2.26 O ATOM 0 H ASP A 625 -13.689 3.600 8.219 1.00 0.96 H new ATOM 0 HA ASP A 625 -16.401 3.201 9.038 1.00 1.17 H new ATOM 0 HB2 ASP A 625 -14.197 2.793 10.374 1.00 1.20 H new ATOM 0 HB3 ASP A 625 -14.079 4.532 10.555 1.00 1.20 H new ATOM 1465 N THR A 626 -15.281 6.215 8.553 1.00 1.21 N ATOM 1466 CA THR A 626 -15.266 7.663 8.759 1.00 1.19 C ATOM 1467 C THR A 626 -14.547 8.333 7.581 1.00 0.92 C ATOM 1468 O THR A 626 -13.893 7.658 6.790 1.00 0.72 O ATOM 1469 CB THR A 626 -14.584 7.976 10.106 1.00 1.30 C ATOM 1470 OG1 THR A 626 -14.592 9.366 10.361 1.00 1.40 O ATOM 1471 CG2 THR A 626 -13.148 7.458 10.181 1.00 1.20 C ATOM 0 H THR A 626 -14.577 5.915 7.879 1.00 1.21 H new ATOM 0 HA THR A 626 -16.281 8.058 8.799 1.00 1.19 H new ATOM 0 HB THR A 626 -15.165 7.454 10.867 1.00 1.30 H new ATOM 0 HG1 THR A 626 -14.156 9.543 11.221 1.00 1.40 H new ATOM 0 HG21 THR A 626 -12.721 7.709 11.152 1.00 1.20 H new ATOM 0 HG22 THR A 626 -13.144 6.376 10.051 1.00 1.20 H new ATOM 0 HG23 THR A 626 -12.553 7.920 9.393 1.00 1.20 H new ATOM 1479 N TYR A 627 -14.647 9.653 7.446 1.00 1.02 N ATOM 1480 CA TYR A 627 -14.005 10.412 6.374 1.00 0.99 C ATOM 1481 C TYR A 627 -12.475 10.356 6.588 1.00 0.95 C ATOM 1482 O TYR A 627 -11.948 10.911 7.563 1.00 1.18 O ATOM 1483 CB TYR A 627 -14.636 11.813 6.383 1.00 1.27 C ATOM 1484 CG TYR A 627 -14.348 12.764 5.235 1.00 1.92 C ATOM 1485 CD1 TYR A 627 -13.055 13.289 5.055 1.00 1.88 C ATOM 1486 CD2 TYR A 627 -15.414 13.268 4.459 1.00 3.48 C ATOM 1487 CE1 TYR A 627 -12.831 14.326 4.130 1.00 2.42 C ATOM 1488 CE2 TYR A 627 -15.190 14.296 3.519 1.00 4.08 C ATOM 1489 CZ TYR A 627 -13.894 14.829 3.353 1.00 3.25 C ATOM 1490 OH TYR A 627 -13.649 15.811 2.449 1.00 3.89 O ATOM 0 H TYR A 627 -15.185 10.235 8.088 1.00 1.02 H new ATOM 0 HA TYR A 627 -14.164 10.006 5.375 1.00 0.99 H new ATOM 0 HB2 TYR A 627 -15.717 11.685 6.439 1.00 1.27 H new ATOM 0 HB3 TYR A 627 -14.325 12.307 7.304 1.00 1.27 H new ATOM 0 HD1 TYR A 627 -12.230 12.894 5.630 1.00 1.88 H new ATOM 0 HD2 TYR A 627 -16.408 12.864 4.586 1.00 3.48 H new ATOM 0 HE1 TYR A 627 -11.839 14.738 4.015 1.00 2.42 H new ATOM 0 HE2 TYR A 627 -16.010 14.675 2.927 1.00 4.08 H new ATOM 0 HH TYR A 627 -14.482 16.050 1.992 1.00 3.89 H new ATOM 1500 N CYS A 628 -11.769 9.613 5.732 1.00 0.80 N ATOM 1501 CA CYS A 628 -10.400 9.134 5.958 1.00 0.83 C ATOM 1502 C CYS A 628 -9.444 9.601 4.854 1.00 0.83 C ATOM 1503 O CYS A 628 -9.745 9.461 3.665 1.00 0.83 O ATOM 1504 CB CYS A 628 -10.414 7.596 6.059 1.00 0.77 C ATOM 1505 SG CYS A 628 -8.849 6.952 6.716 1.00 2.51 S ATOM 0 H CYS A 628 -12.146 9.317 4.832 1.00 0.80 H new ATOM 0 HA CYS A 628 -10.032 9.558 6.892 1.00 0.83 H new ATOM 0 HB2 CYS A 628 -11.236 7.281 6.702 1.00 0.77 H new ATOM 0 HB3 CYS A 628 -10.598 7.168 5.074 1.00 0.77 H new ATOM 0 HG CYS A 628 -8.119 7.939 7.143 1.00 2.51 H new ATOM 1511 N ARG A 629 -8.263 10.086 5.263 1.00 0.88 N ATOM 1512 CA ARG A 629 -7.115 10.387 4.399 1.00 0.90 C ATOM 1513 C ARG A 629 -6.342 9.090 4.124 1.00 0.82 C ATOM 1514 O ARG A 629 -5.751 8.512 5.042 1.00 0.86 O ATOM 1515 CB ARG A 629 -6.184 11.416 5.080 1.00 1.08 C ATOM 1516 CG ARG A 629 -6.797 12.662 5.742 1.00 1.95 C ATOM 1517 CD ARG A 629 -7.472 13.642 4.774 1.00 1.75 C ATOM 1518 NE ARG A 629 -7.168 15.042 5.126 1.00 2.24 N ATOM 1519 CZ ARG A 629 -7.591 15.733 6.168 1.00 3.27 C ATOM 1520 NH1 ARG A 629 -8.482 15.313 7.016 1.00 4.49 N ATOM 1521 NH2 ARG A 629 -7.086 16.902 6.405 1.00 3.73 N ATOM 0 H ARG A 629 -8.075 10.287 6.245 1.00 0.88 H new ATOM 0 HA ARG A 629 -7.473 10.811 3.461 1.00 0.90 H new ATOM 0 HB2 ARG A 629 -5.613 10.887 5.843 1.00 1.08 H new ATOM 0 HB3 ARG A 629 -5.472 11.760 4.330 1.00 1.08 H new ATOM 0 HG2 ARG A 629 -7.531 12.339 6.480 1.00 1.95 H new ATOM 0 HG3 ARG A 629 -6.013 13.191 6.283 1.00 1.95 H new ATOM 0 HD2 ARG A 629 -7.137 13.440 3.757 1.00 1.75 H new ATOM 0 HD3 ARG A 629 -8.551 13.487 4.791 1.00 1.75 H new ATOM 0 HE ARG A 629 -6.553 15.539 4.482 1.00 2.24 H new ATOM 0 HH11 ARG A 629 -8.904 14.392 6.898 1.00 4.49 H new ATOM 0 HH12 ARG A 629 -8.760 15.905 7.799 1.00 4.49 H new ATOM 0 HH21 ARG A 629 -6.367 17.282 5.789 1.00 3.73 H new ATOM 0 HH22 ARG A 629 -7.407 17.443 7.208 1.00 3.73 H new ATOM 1535 N LEU A 630 -6.334 8.641 2.876 1.00 0.81 N ATOM 1536 CA LEU A 630 -5.506 7.539 2.371 1.00 0.81 C ATOM 1537 C LEU A 630 -4.391 8.066 1.444 1.00 0.95 C ATOM 1538 O LEU A 630 -4.341 9.243 1.095 1.00 1.27 O ATOM 1539 CB LEU A 630 -6.379 6.462 1.677 1.00 0.74 C ATOM 1540 CG LEU A 630 -7.461 5.762 2.531 1.00 0.61 C ATOM 1541 CD1 LEU A 630 -8.032 4.539 1.798 1.00 0.63 C ATOM 1542 CD2 LEU A 630 -6.916 5.251 3.860 1.00 0.63 C ATOM 0 H LEU A 630 -6.927 9.048 2.153 1.00 0.81 H new ATOM 0 HA LEU A 630 -5.019 7.060 3.220 1.00 0.81 H new ATOM 0 HB2 LEU A 630 -6.873 6.928 0.824 1.00 0.74 H new ATOM 0 HB3 LEU A 630 -5.714 5.694 1.281 1.00 0.74 H new ATOM 0 HG LEU A 630 -8.225 6.519 2.707 1.00 0.61 H new ATOM 0 HD11 LEU A 630 -8.791 4.064 2.419 1.00 0.63 H new ATOM 0 HD12 LEU A 630 -8.480 4.856 0.856 1.00 0.63 H new ATOM 0 HD13 LEU A 630 -7.230 3.828 1.597 1.00 0.63 H new ATOM 0 HD21 LEU A 630 -7.717 4.768 4.420 1.00 0.63 H new ATOM 0 HD22 LEU A 630 -6.119 4.532 3.674 1.00 0.63 H new ATOM 0 HD23 LEU A 630 -6.522 6.087 4.438 1.00 0.63 H new ATOM 1554 N TYR A 631 -3.485 7.185 1.041 1.00 0.80 N ATOM 1555 CA TYR A 631 -2.385 7.429 0.111 1.00 0.92 C ATOM 1556 C TYR A 631 -2.400 6.366 -0.991 1.00 0.91 C ATOM 1557 O TYR A 631 -2.664 5.199 -0.679 1.00 0.97 O ATOM 1558 CB TYR A 631 -1.067 7.383 0.895 1.00 1.08 C ATOM 1559 CG TYR A 631 -0.372 8.715 1.054 1.00 2.33 C ATOM 1560 CD1 TYR A 631 0.080 9.387 -0.091 1.00 3.35 C ATOM 1561 CD2 TYR A 631 -0.151 9.261 2.333 1.00 3.76 C ATOM 1562 CE1 TYR A 631 0.708 10.643 0.038 1.00 4.92 C ATOM 1563 CE2 TYR A 631 0.510 10.497 2.466 1.00 5.13 C ATOM 1564 CZ TYR A 631 0.932 11.196 1.317 1.00 5.54 C ATOM 1565 OH TYR A 631 1.561 12.393 1.446 1.00 7.15 O ATOM 0 H TYR A 631 -3.497 6.221 1.374 1.00 0.80 H new ATOM 0 HA TYR A 631 -2.491 8.407 -0.359 1.00 0.92 H new ATOM 0 HB2 TYR A 631 -1.265 6.973 1.885 1.00 1.08 H new ATOM 0 HB3 TYR A 631 -0.388 6.693 0.394 1.00 1.08 H new ATOM 0 HD1 TYR A 631 -0.052 8.944 -1.067 1.00 3.35 H new ATOM 0 HD2 TYR A 631 -0.488 8.732 3.212 1.00 3.76 H new ATOM 0 HE1 TYR A 631 1.018 11.183 -0.844 1.00 4.92 H new ATOM 0 HE2 TYR A 631 0.694 10.909 3.447 1.00 5.13 H new ATOM 0 HH TYR A 631 1.631 12.625 2.396 1.00 7.15 H new ATOM 1575 N SER A 632 -2.108 6.735 -2.248 1.00 1.00 N ATOM 1576 CA SER A 632 -2.213 5.788 -3.371 1.00 1.10 C ATOM 1577 C SER A 632 -0.999 5.764 -4.298 1.00 1.02 C ATOM 1578 O SER A 632 -0.560 6.780 -4.843 1.00 1.11 O ATOM 1579 CB SER A 632 -3.519 6.005 -4.146 1.00 1.41 C ATOM 1580 OG SER A 632 -3.639 7.324 -4.637 1.00 2.76 O ATOM 0 H SER A 632 -1.801 7.671 -2.512 1.00 1.00 H new ATOM 0 HA SER A 632 -2.232 4.796 -2.920 1.00 1.10 H new ATOM 0 HB2 SER A 632 -3.565 5.304 -4.979 1.00 1.41 H new ATOM 0 HB3 SER A 632 -4.366 5.783 -3.496 1.00 1.41 H new ATOM 0 HG SER A 632 -4.484 7.416 -5.125 1.00 2.76 H new ATOM 1586 N LEU A 633 -0.451 4.559 -4.484 1.00 0.95 N ATOM 1587 CA LEU A 633 0.833 4.312 -5.134 1.00 0.90 C ATOM 1588 C LEU A 633 0.690 3.125 -6.091 1.00 0.93 C ATOM 1589 O LEU A 633 0.429 1.996 -5.662 1.00 0.92 O ATOM 1590 CB LEU A 633 1.863 4.065 -4.011 1.00 0.93 C ATOM 1591 CG LEU A 633 3.335 4.304 -4.382 1.00 0.95 C ATOM 1592 CD1 LEU A 633 4.169 4.196 -3.104 1.00 1.27 C ATOM 1593 CD2 LEU A 633 3.884 3.308 -5.400 1.00 1.38 C ATOM 0 H LEU A 633 -0.908 3.701 -4.174 1.00 0.95 H new ATOM 0 HA LEU A 633 1.169 5.155 -5.737 1.00 0.90 H new ATOM 0 HB2 LEU A 633 1.613 4.708 -3.168 1.00 0.93 H new ATOM 0 HB3 LEU A 633 1.758 3.035 -3.669 1.00 0.93 H new ATOM 0 HG LEU A 633 3.395 5.290 -4.842 1.00 0.95 H new ATOM 0 HD11 LEU A 633 5.220 4.362 -3.340 1.00 1.27 H new ATOM 0 HD12 LEU A 633 3.835 4.946 -2.387 1.00 1.27 H new ATOM 0 HD13 LEU A 633 4.047 3.203 -2.673 1.00 1.27 H new ATOM 0 HD21 LEU A 633 4.928 3.541 -5.611 1.00 1.38 H new ATOM 0 HD22 LEU A 633 3.813 2.298 -4.996 1.00 1.38 H new ATOM 0 HD23 LEU A 633 3.304 3.372 -6.321 1.00 1.38 H new ATOM 1605 N SER A 634 0.856 3.357 -7.395 1.00 1.02 N ATOM 1606 CA SER A 634 0.757 2.266 -8.368 1.00 1.08 C ATOM 1607 C SER A 634 1.876 1.250 -8.151 1.00 1.15 C ATOM 1608 O SER A 634 3.056 1.608 -8.160 1.00 1.02 O ATOM 1609 CB SER A 634 0.750 2.747 -9.815 1.00 0.98 C ATOM 1610 OG SER A 634 0.620 1.606 -10.645 1.00 2.16 O ATOM 0 H SER A 634 1.056 4.273 -7.797 1.00 1.02 H new ATOM 0 HA SER A 634 -0.207 1.788 -8.195 1.00 1.08 H new ATOM 0 HB2 SER A 634 -0.074 3.440 -9.984 1.00 0.98 H new ATOM 0 HB3 SER A 634 1.670 3.285 -10.044 1.00 0.98 H new ATOM 0 HG SER A 634 0.611 1.884 -11.585 1.00 2.16 H new ATOM 1616 N VAL A 635 1.509 -0.031 -8.018 1.00 1.48 N ATOM 1617 CA VAL A 635 2.471 -1.140 -7.942 1.00 1.67 C ATOM 1618 C VAL A 635 3.503 -1.045 -9.058 1.00 1.60 C ATOM 1619 O VAL A 635 4.704 -1.182 -8.835 1.00 1.77 O ATOM 1620 CB VAL A 635 1.771 -2.509 -7.919 1.00 1.95 C ATOM 1621 CG1 VAL A 635 1.572 -3.167 -9.273 1.00 1.66 C ATOM 1622 CG2 VAL A 635 2.726 -3.491 -7.293 1.00 2.63 C ATOM 0 H VAL A 635 0.535 -0.329 -7.960 1.00 1.48 H new ATOM 0 HA VAL A 635 3.003 -1.050 -6.995 1.00 1.67 H new ATOM 0 HB VAL A 635 0.816 -2.315 -7.430 1.00 1.95 H new ATOM 0 HG11 VAL A 635 1.070 -4.126 -9.141 1.00 1.66 H new ATOM 0 HG12 VAL A 635 0.962 -2.522 -9.905 1.00 1.66 H new ATOM 0 HG13 VAL A 635 2.541 -3.327 -9.746 1.00 1.66 H new ATOM 0 HG21 VAL A 635 2.263 -4.477 -7.259 1.00 2.63 H new ATOM 0 HG22 VAL A 635 3.639 -3.539 -7.886 1.00 2.63 H new ATOM 0 HG23 VAL A 635 2.968 -3.168 -6.280 1.00 2.63 H new ATOM 1632 N ASP A 636 3.051 -0.746 -10.271 1.00 1.43 N ATOM 1633 CA ASP A 636 3.952 -0.775 -11.399 1.00 1.54 C ATOM 1634 C ASP A 636 4.938 0.418 -11.365 1.00 1.41 C ATOM 1635 O ASP A 636 6.038 0.336 -11.910 1.00 1.53 O ATOM 1636 CB ASP A 636 3.163 -0.733 -12.719 1.00 1.59 C ATOM 1637 CG ASP A 636 2.092 -1.810 -12.884 1.00 1.99 C ATOM 1638 OD1 ASP A 636 0.928 -1.586 -12.477 1.00 3.05 O ATOM 1639 OD2 ASP A 636 2.366 -2.863 -13.504 1.00 2.64 O ATOM 0 H ASP A 636 2.088 -0.488 -10.488 1.00 1.43 H new ATOM 0 HA ASP A 636 4.519 -1.704 -11.337 1.00 1.54 H new ATOM 0 HB2 ASP A 636 2.687 0.244 -12.806 1.00 1.59 H new ATOM 0 HB3 ASP A 636 3.868 -0.818 -13.546 1.00 1.59 H new ATOM 1644 N ASN A 637 4.566 1.533 -10.719 1.00 1.24 N ATOM 1645 CA ASN A 637 5.423 2.718 -10.556 1.00 1.19 C ATOM 1646 C ASN A 637 6.477 2.533 -9.443 1.00 1.16 C ATOM 1647 O ASN A 637 7.481 3.243 -9.428 1.00 1.37 O ATOM 1648 CB ASN A 637 4.573 3.969 -10.260 1.00 1.28 C ATOM 1649 CG ASN A 637 3.654 4.461 -11.365 1.00 1.80 C ATOM 1650 OD1 ASN A 637 2.757 5.248 -11.108 1.00 2.57 O ATOM 1651 ND2 ASN A 637 3.842 4.094 -12.608 1.00 2.04 N ATOM 0 H ASN A 637 3.647 1.639 -10.288 1.00 1.24 H new ATOM 0 HA ASN A 637 5.953 2.851 -11.499 1.00 1.19 H new ATOM 0 HB2 ASN A 637 3.963 3.763 -9.380 1.00 1.28 H new ATOM 0 HB3 ASN A 637 5.249 4.782 -9.996 1.00 1.28 H new ATOM 0 HD21 ASN A 637 3.243 4.465 -13.345 1.00 2.04 H new ATOM 0 HD22 ASN A 637 4.587 3.437 -12.839 1.00 2.04 H new ATOM 1658 N PHE A 638 6.264 1.579 -8.533 1.00 1.05 N ATOM 1659 CA PHE A 638 7.229 1.052 -7.564 1.00 1.07 C ATOM 1660 C PHE A 638 8.210 0.093 -8.274 1.00 1.14 C ATOM 1661 O PHE A 638 9.426 0.207 -8.123 1.00 1.09 O ATOM 1662 CB PHE A 638 6.407 0.392 -6.447 1.00 1.29 C ATOM 1663 CG PHE A 638 7.104 -0.067 -5.176 1.00 1.41 C ATOM 1664 CD1 PHE A 638 8.241 -0.901 -5.206 1.00 1.58 C ATOM 1665 CD2 PHE A 638 6.525 0.258 -3.934 1.00 2.63 C ATOM 1666 CE1 PHE A 638 8.816 -1.358 -4.010 1.00 1.72 C ATOM 1667 CE2 PHE A 638 7.093 -0.211 -2.739 1.00 2.76 C ATOM 1668 CZ PHE A 638 8.252 -1.002 -2.773 1.00 1.78 C ATOM 0 H PHE A 638 5.355 1.125 -8.448 1.00 1.05 H new ATOM 0 HA PHE A 638 7.856 1.827 -7.123 1.00 1.07 H new ATOM 0 HB2 PHE A 638 5.627 1.096 -6.156 1.00 1.29 H new ATOM 0 HB3 PHE A 638 5.908 -0.476 -6.878 1.00 1.29 H new ATOM 0 HD1 PHE A 638 8.671 -1.189 -6.154 1.00 1.58 H new ATOM 0 HD2 PHE A 638 5.638 0.873 -3.901 1.00 2.63 H new ATOM 0 HE1 PHE A 638 9.695 -1.985 -4.040 1.00 1.72 H new ATOM 0 HE2 PHE A 638 6.637 0.037 -1.792 1.00 2.76 H new ATOM 0 HZ PHE A 638 8.708 -1.336 -1.853 1.00 1.78 H new ATOM 1678 N ASN A 639 7.704 -0.792 -9.145 1.00 1.29 N ATOM 1679 CA ASN A 639 8.534 -1.637 -10.019 1.00 1.37 C ATOM 1680 C ASN A 639 9.384 -0.836 -11.030 1.00 1.36 C ATOM 1681 O ASN A 639 10.368 -1.368 -11.546 1.00 1.45 O ATOM 1682 CB ASN A 639 7.629 -2.652 -10.745 1.00 1.48 C ATOM 1683 CG ASN A 639 7.265 -3.856 -9.902 1.00 1.69 C ATOM 1684 OD1 ASN A 639 8.099 -4.411 -9.202 1.00 2.23 O ATOM 1685 ND2 ASN A 639 6.047 -4.339 -9.990 1.00 1.60 N ATOM 0 H ASN A 639 6.702 -0.943 -9.264 1.00 1.29 H new ATOM 0 HA ASN A 639 9.252 -2.156 -9.384 1.00 1.37 H new ATOM 0 HB2 ASN A 639 6.714 -2.150 -11.059 1.00 1.48 H new ATOM 0 HB3 ASN A 639 8.133 -2.992 -11.650 1.00 1.48 H new ATOM 0 HD21 ASN A 639 5.794 -5.181 -9.473 1.00 1.60 H new ATOM 0 HD22 ASN A 639 5.354 -3.872 -10.576 1.00 1.60 H new ATOM 1692 N GLU A 640 9.038 0.421 -11.310 1.00 1.28 N ATOM 1693 CA GLU A 640 9.824 1.368 -12.118 1.00 1.28 C ATOM 1694 C GLU A 640 11.050 1.922 -11.376 1.00 1.18 C ATOM 1695 O GLU A 640 12.154 1.966 -11.926 1.00 1.28 O ATOM 1696 CB GLU A 640 8.919 2.556 -12.480 1.00 1.30 C ATOM 1697 CG GLU A 640 8.157 2.376 -13.789 1.00 1.87 C ATOM 1698 CD GLU A 640 9.031 2.779 -14.976 1.00 2.07 C ATOM 1699 OE1 GLU A 640 9.118 4.002 -15.249 1.00 2.80 O ATOM 1700 OE2 GLU A 640 9.665 1.907 -15.620 1.00 3.02 O ATOM 0 H GLU A 640 8.168 0.829 -10.968 1.00 1.28 H new ATOM 0 HA GLU A 640 10.182 0.828 -12.995 1.00 1.28 H new ATOM 0 HB2 GLU A 640 8.203 2.714 -11.673 1.00 1.30 H new ATOM 0 HB3 GLU A 640 9.528 3.457 -12.547 1.00 1.30 H new ATOM 0 HG2 GLU A 640 7.845 1.337 -13.895 1.00 1.87 H new ATOM 0 HG3 GLU A 640 7.250 2.981 -13.775 1.00 1.87 H new ATOM 1707 N VAL A 641 10.856 2.356 -10.127 1.00 1.06 N ATOM 1708 CA VAL A 641 11.902 2.968 -9.289 1.00 0.98 C ATOM 1709 C VAL A 641 12.906 1.933 -8.789 1.00 0.99 C ATOM 1710 O VAL A 641 14.087 2.247 -8.681 1.00 0.99 O ATOM 1711 CB VAL A 641 11.278 3.813 -8.159 1.00 0.89 C ATOM 1712 CG1 VAL A 641 10.204 3.095 -7.352 1.00 0.93 C ATOM 1713 CG2 VAL A 641 12.282 4.373 -7.148 1.00 0.84 C ATOM 0 H VAL A 641 9.953 2.293 -9.658 1.00 1.06 H new ATOM 0 HA VAL A 641 12.477 3.656 -9.908 1.00 0.98 H new ATOM 0 HB VAL A 641 10.835 4.628 -8.730 1.00 0.89 H new ATOM 0 HG11 VAL A 641 9.821 3.763 -6.580 1.00 0.93 H new ATOM 0 HG12 VAL A 641 9.389 2.799 -8.013 1.00 0.93 H new ATOM 0 HG13 VAL A 641 10.632 2.208 -6.884 1.00 0.93 H new ATOM 0 HG21 VAL A 641 11.752 4.952 -6.392 1.00 0.84 H new ATOM 0 HG22 VAL A 641 12.813 3.551 -6.669 1.00 0.84 H new ATOM 0 HG23 VAL A 641 12.997 5.015 -7.663 1.00 0.84 H new ATOM 1723 N LEU A 642 12.477 0.683 -8.583 1.00 1.04 N ATOM 1724 CA LEU A 642 13.376 -0.449 -8.294 1.00 1.08 C ATOM 1725 C LEU A 642 14.573 -0.538 -9.258 1.00 1.15 C ATOM 1726 O LEU A 642 15.697 -0.788 -8.831 1.00 1.16 O ATOM 1727 CB LEU A 642 12.591 -1.778 -8.364 1.00 1.11 C ATOM 1728 CG LEU A 642 11.939 -2.268 -7.061 1.00 1.46 C ATOM 1729 CD1 LEU A 642 11.376 -3.671 -7.297 1.00 1.61 C ATOM 1730 CD2 LEU A 642 12.942 -2.408 -5.918 1.00 2.09 C ATOM 0 H LEU A 642 11.491 0.423 -8.611 1.00 1.04 H new ATOM 0 HA LEU A 642 13.769 -0.276 -7.292 1.00 1.08 H new ATOM 0 HB2 LEU A 642 11.809 -1.671 -9.116 1.00 1.11 H new ATOM 0 HB3 LEU A 642 13.269 -2.555 -8.717 1.00 1.11 H new ATOM 0 HG LEU A 642 11.180 -1.534 -6.791 1.00 1.46 H new ATOM 0 HD11 LEU A 642 10.909 -4.034 -6.382 1.00 1.61 H new ATOM 0 HD12 LEU A 642 10.633 -3.636 -8.094 1.00 1.61 H new ATOM 0 HD13 LEU A 642 12.184 -4.344 -7.584 1.00 1.61 H new ATOM 0 HD21 LEU A 642 12.427 -2.757 -5.023 1.00 2.09 H new ATOM 0 HD22 LEU A 642 13.713 -3.126 -6.196 1.00 2.09 H new ATOM 0 HD23 LEU A 642 13.403 -1.441 -5.718 1.00 2.09 H new ATOM 1742 N GLU A 643 14.341 -0.315 -10.552 1.00 1.28 N ATOM 1743 CA GLU A 643 15.335 -0.456 -11.625 1.00 1.43 C ATOM 1744 C GLU A 643 16.528 0.513 -11.498 1.00 1.32 C ATOM 1745 O GLU A 643 17.590 0.267 -12.074 1.00 1.42 O ATOM 1746 CB GLU A 643 14.624 -0.214 -12.965 1.00 1.62 C ATOM 1747 CG GLU A 643 13.394 -1.108 -13.199 1.00 2.21 C ATOM 1748 CD GLU A 643 13.758 -2.460 -13.818 1.00 2.96 C ATOM 1749 OE1 GLU A 643 13.815 -2.578 -15.067 1.00 3.29 O ATOM 1750 OE2 GLU A 643 13.982 -3.428 -13.052 1.00 3.98 O ATOM 0 H GLU A 643 13.427 -0.021 -10.897 1.00 1.28 H new ATOM 0 HA GLU A 643 15.752 -1.461 -11.557 1.00 1.43 H new ATOM 0 HB2 GLU A 643 14.315 0.830 -13.016 1.00 1.62 H new ATOM 0 HB3 GLU A 643 15.335 -0.375 -13.775 1.00 1.62 H new ATOM 0 HG2 GLU A 643 12.883 -1.273 -12.250 1.00 2.21 H new ATOM 0 HG3 GLU A 643 12.692 -0.590 -13.853 1.00 2.21 H new ATOM 1757 N GLU A 644 16.375 1.620 -10.764 1.00 1.18 N ATOM 1758 CA GLU A 644 17.388 2.645 -10.509 1.00 1.18 C ATOM 1759 C GLU A 644 18.374 2.284 -9.390 1.00 1.10 C ATOM 1760 O GLU A 644 19.486 2.820 -9.319 1.00 1.18 O ATOM 1761 CB GLU A 644 16.623 3.904 -10.137 1.00 1.17 C ATOM 1762 CG GLU A 644 15.599 4.272 -11.217 1.00 1.43 C ATOM 1763 CD GLU A 644 16.266 4.605 -12.550 1.00 2.20 C ATOM 1764 OE1 GLU A 644 16.961 5.649 -12.625 1.00 2.23 O ATOM 1765 OE2 GLU A 644 16.156 3.793 -13.501 1.00 3.55 O ATOM 0 H GLU A 644 15.489 1.835 -10.306 1.00 1.18 H new ATOM 0 HA GLU A 644 18.004 2.764 -11.400 1.00 1.18 H new ATOM 0 HB2 GLU A 644 16.113 3.755 -9.185 1.00 1.17 H new ATOM 0 HB3 GLU A 644 17.322 4.729 -9.999 1.00 1.17 H new ATOM 0 HG2 GLU A 644 14.905 3.443 -11.356 1.00 1.43 H new ATOM 0 HG3 GLU A 644 15.011 5.127 -10.883 1.00 1.43 H new ATOM 1772 N TYR A 645 17.957 1.362 -8.527 1.00 1.02 N ATOM 1773 CA TYR A 645 18.667 0.886 -7.343 1.00 0.98 C ATOM 1774 C TYR A 645 18.880 -0.637 -7.458 1.00 1.02 C ATOM 1775 O TYR A 645 18.195 -1.397 -6.775 1.00 1.04 O ATOM 1776 CB TYR A 645 17.885 1.312 -6.083 1.00 0.93 C ATOM 1777 CG TYR A 645 17.638 2.809 -6.000 1.00 0.93 C ATOM 1778 CD1 TYR A 645 16.484 3.359 -6.584 1.00 2.30 C ATOM 1779 CD2 TYR A 645 18.580 3.659 -5.395 1.00 1.73 C ATOM 1780 CE1 TYR A 645 16.300 4.753 -6.633 1.00 2.35 C ATOM 1781 CE2 TYR A 645 18.408 5.056 -5.448 1.00 1.74 C ATOM 1782 CZ TYR A 645 17.273 5.608 -6.079 1.00 1.05 C ATOM 1783 OH TYR A 645 17.125 6.956 -6.183 1.00 1.17 O ATOM 0 H TYR A 645 17.056 0.897 -8.643 1.00 1.02 H new ATOM 0 HA TYR A 645 19.658 1.333 -7.263 1.00 0.98 H new ATOM 0 HB2 TYR A 645 16.927 0.792 -6.067 1.00 0.93 H new ATOM 0 HB3 TYR A 645 18.436 0.993 -5.198 1.00 0.93 H new ATOM 0 HD1 TYR A 645 15.731 2.705 -6.999 1.00 2.30 H new ATOM 0 HD2 TYR A 645 19.437 3.240 -4.889 1.00 1.73 H new ATOM 0 HE1 TYR A 645 15.415 5.166 -7.094 1.00 2.35 H new ATOM 0 HE2 TYR A 645 19.147 5.707 -5.004 1.00 1.74 H new ATOM 0 HH TYR A 645 17.881 7.403 -5.748 1.00 1.17 H new ATOM 1793 N PRO A 646 19.792 -1.120 -8.330 1.00 1.07 N ATOM 1794 CA PRO A 646 19.958 -2.544 -8.654 1.00 1.16 C ATOM 1795 C PRO A 646 20.207 -3.488 -7.463 1.00 1.17 C ATOM 1796 O PRO A 646 19.887 -4.674 -7.571 1.00 1.25 O ATOM 1797 CB PRO A 646 21.093 -2.605 -9.683 1.00 1.28 C ATOM 1798 CG PRO A 646 21.819 -1.273 -9.532 1.00 1.24 C ATOM 1799 CD PRO A 646 20.678 -0.332 -9.170 1.00 1.12 C ATOM 0 HA PRO A 646 19.012 -2.923 -9.041 1.00 1.16 H new ATOM 0 HB2 PRO A 646 21.760 -3.445 -9.488 1.00 1.28 H new ATOM 0 HB3 PRO A 646 20.706 -2.733 -10.694 1.00 1.28 H new ATOM 0 HG2 PRO A 646 22.581 -1.309 -8.753 1.00 1.24 H new ATOM 0 HG3 PRO A 646 22.319 -0.974 -10.453 1.00 1.24 H new ATOM 0 HD2 PRO A 646 21.045 0.547 -8.641 1.00 1.12 H new ATOM 0 HD3 PRO A 646 20.163 0.025 -10.062 1.00 1.12 H new ATOM 1807 N MET A 647 20.692 -2.988 -6.318 1.00 1.14 N ATOM 1808 CA MET A 647 20.678 -3.716 -5.036 1.00 1.22 C ATOM 1809 C MET A 647 19.241 -4.006 -4.564 1.00 1.20 C ATOM 1810 O MET A 647 18.886 -5.145 -4.266 1.00 1.34 O ATOM 1811 CB MET A 647 21.412 -2.879 -3.974 1.00 1.29 C ATOM 1812 CG MET A 647 21.351 -3.517 -2.578 1.00 1.79 C ATOM 1813 SD MET A 647 21.863 -2.445 -1.215 1.00 1.81 S ATOM 1814 CE MET A 647 20.433 -1.332 -1.159 1.00 1.32 C ATOM 0 H MET A 647 21.109 -2.059 -6.252 1.00 1.14 H new ATOM 0 HA MET A 647 21.181 -4.672 -5.179 1.00 1.22 H new ATOM 0 HB2 MET A 647 22.454 -2.757 -4.269 1.00 1.29 H new ATOM 0 HB3 MET A 647 20.973 -1.882 -3.934 1.00 1.29 H new ATOM 0 HG2 MET A 647 20.330 -3.849 -2.393 1.00 1.79 H new ATOM 0 HG3 MET A 647 21.981 -4.406 -2.575 1.00 1.79 H new ATOM 0 HE1 MET A 647 20.507 -0.688 -0.282 1.00 1.32 H new ATOM 0 HE2 MET A 647 20.414 -0.718 -2.059 1.00 1.32 H new ATOM 0 HE3 MET A 647 19.517 -1.920 -1.101 1.00 1.32 H new ATOM 1824 N MET A 648 18.397 -2.977 -4.500 1.00 1.08 N ATOM 1825 CA MET A 648 16.995 -3.114 -4.104 1.00 1.05 C ATOM 1826 C MET A 648 16.219 -3.925 -5.148 1.00 1.08 C ATOM 1827 O MET A 648 15.389 -4.747 -4.778 1.00 1.10 O ATOM 1828 CB MET A 648 16.360 -1.729 -3.886 1.00 0.98 C ATOM 1829 CG MET A 648 17.028 -0.886 -2.789 1.00 0.96 C ATOM 1830 SD MET A 648 16.355 -1.028 -1.107 1.00 1.38 S ATOM 1831 CE MET A 648 16.613 -2.776 -0.684 1.00 1.53 C ATOM 0 H MET A 648 18.668 -2.019 -4.723 1.00 1.08 H new ATOM 0 HA MET A 648 16.949 -3.656 -3.159 1.00 1.05 H new ATOM 0 HB2 MET A 648 16.396 -1.175 -4.824 1.00 0.98 H new ATOM 0 HB3 MET A 648 15.308 -1.862 -3.634 1.00 0.98 H new ATOM 0 HG2 MET A 648 18.084 -1.153 -2.754 1.00 0.96 H new ATOM 0 HG3 MET A 648 16.974 0.161 -3.087 1.00 0.96 H new ATOM 0 HE1 MET A 648 16.596 -2.894 0.399 1.00 1.53 H new ATOM 0 HE2 MET A 648 15.820 -3.378 -1.127 1.00 1.53 H new ATOM 0 HE3 MET A 648 17.578 -3.105 -1.070 1.00 1.53 H new ATOM 1841 N ARG A 649 16.545 -3.787 -6.442 1.00 1.15 N ATOM 1842 CA ARG A 649 15.974 -4.610 -7.520 1.00 1.30 C ATOM 1843 C ARG A 649 16.143 -6.109 -7.220 1.00 1.42 C ATOM 1844 O ARG A 649 15.135 -6.809 -7.125 1.00 1.55 O ATOM 1845 CB ARG A 649 16.581 -4.186 -8.872 1.00 1.37 C ATOM 1846 CG ARG A 649 15.651 -4.317 -10.091 1.00 1.95 C ATOM 1847 CD ARG A 649 14.918 -5.657 -10.216 1.00 2.27 C ATOM 1848 NE ARG A 649 14.197 -5.751 -11.496 1.00 3.14 N ATOM 1849 CZ ARG A 649 13.481 -6.777 -11.907 1.00 3.84 C ATOM 1850 NH1 ARG A 649 13.240 -7.789 -11.130 1.00 4.16 N ATOM 1851 NH2 ARG A 649 12.977 -6.809 -13.104 1.00 4.84 N ATOM 0 H ARG A 649 17.218 -3.095 -6.773 1.00 1.15 H new ATOM 0 HA ARG A 649 14.899 -4.441 -7.581 1.00 1.30 H new ATOM 0 HB2 ARG A 649 16.904 -3.148 -8.795 1.00 1.37 H new ATOM 0 HB3 ARG A 649 17.473 -4.785 -9.053 1.00 1.37 H new ATOM 0 HG2 ARG A 649 14.910 -3.519 -10.049 1.00 1.95 H new ATOM 0 HG3 ARG A 649 16.239 -4.158 -10.995 1.00 1.95 H new ATOM 0 HD2 ARG A 649 15.634 -6.475 -10.138 1.00 2.27 H new ATOM 0 HD3 ARG A 649 14.215 -5.769 -9.390 1.00 2.27 H new ATOM 0 HE ARG A 649 14.258 -4.948 -12.122 1.00 3.14 H new ATOM 0 HH11 ARG A 649 13.608 -7.801 -10.179 1.00 4.16 H new ATOM 0 HH12 ARG A 649 12.683 -8.572 -11.471 1.00 4.16 H new ATOM 0 HH21 ARG A 649 13.133 -6.030 -13.744 1.00 4.84 H new ATOM 0 HH22 ARG A 649 12.425 -7.613 -13.404 1.00 4.84 H new ATOM 1865 N ARG A 650 17.371 -6.581 -6.952 1.00 1.43 N ATOM 1866 CA ARG A 650 17.636 -8.005 -6.622 1.00 1.60 C ATOM 1867 C ARG A 650 16.942 -8.463 -5.343 1.00 1.66 C ATOM 1868 O ARG A 650 16.387 -9.560 -5.297 1.00 1.87 O ATOM 1869 CB ARG A 650 19.134 -8.379 -6.660 1.00 1.69 C ATOM 1870 CG ARG A 650 20.191 -7.635 -5.814 1.00 1.94 C ATOM 1871 CD ARG A 650 20.251 -7.899 -4.298 1.00 2.43 C ATOM 1872 NE ARG A 650 20.465 -9.318 -3.968 1.00 3.20 N ATOM 1873 CZ ARG A 650 20.409 -9.872 -2.772 1.00 4.37 C ATOM 1874 NH1 ARG A 650 20.268 -9.187 -1.674 1.00 4.92 N ATOM 1875 NH2 ARG A 650 20.492 -11.165 -2.683 1.00 5.60 N ATOM 0 H ARG A 650 18.208 -5.997 -6.956 1.00 1.43 H new ATOM 0 HA ARG A 650 17.176 -8.574 -7.430 1.00 1.60 H new ATOM 0 HB2 ARG A 650 19.201 -9.433 -6.388 1.00 1.69 H new ATOM 0 HB3 ARG A 650 19.451 -8.297 -7.700 1.00 1.69 H new ATOM 0 HG2 ARG A 650 21.171 -7.871 -6.229 1.00 1.94 H new ATOM 0 HG3 ARG A 650 20.034 -6.566 -5.956 1.00 1.94 H new ATOM 0 HD2 ARG A 650 21.055 -7.306 -3.863 1.00 2.43 H new ATOM 0 HD3 ARG A 650 19.322 -7.561 -3.839 1.00 2.43 H new ATOM 0 HE ARG A 650 20.680 -9.939 -4.748 1.00 3.20 H new ATOM 0 HH11 ARG A 650 20.195 -8.170 -1.713 1.00 4.92 H new ATOM 0 HH12 ARG A 650 20.231 -9.667 -0.775 1.00 4.92 H new ATOM 0 HH21 ARG A 650 20.598 -11.729 -3.527 1.00 5.60 H new ATOM 0 HH22 ARG A 650 20.451 -11.617 -1.770 1.00 5.60 H new ATOM 1889 N ALA A 651 16.895 -7.587 -4.345 1.00 1.52 N ATOM 1890 CA ALA A 651 16.250 -7.841 -3.058 1.00 1.57 C ATOM 1891 C ALA A 651 14.734 -8.122 -3.159 1.00 1.62 C ATOM 1892 O ALA A 651 14.190 -8.760 -2.258 1.00 1.75 O ATOM 1893 CB ALA A 651 16.527 -6.651 -2.133 1.00 1.43 C ATOM 0 H ALA A 651 17.313 -6.659 -4.408 1.00 1.52 H new ATOM 0 HA ALA A 651 16.678 -8.757 -2.650 1.00 1.57 H new ATOM 0 HB1 ALA A 651 16.053 -6.823 -1.167 1.00 1.43 H new ATOM 0 HB2 ALA A 651 17.603 -6.540 -1.995 1.00 1.43 H new ATOM 0 HB3 ALA A 651 16.123 -5.742 -2.579 1.00 1.43 H new ATOM 1899 N PHE A 652 14.050 -7.671 -4.220 1.00 1.56 N ATOM 1900 CA PHE A 652 12.614 -7.908 -4.455 1.00 1.71 C ATOM 1901 C PHE A 652 12.285 -9.131 -5.321 1.00 2.08 C ATOM 1902 O PHE A 652 11.243 -9.757 -5.124 1.00 2.37 O ATOM 1903 CB PHE A 652 11.995 -6.654 -5.077 1.00 1.57 C ATOM 1904 CG PHE A 652 11.532 -5.651 -4.050 1.00 1.37 C ATOM 1905 CD1 PHE A 652 12.476 -4.948 -3.289 1.00 1.96 C ATOM 1906 CD2 PHE A 652 10.160 -5.432 -3.846 1.00 2.48 C ATOM 1907 CE1 PHE A 652 12.059 -3.980 -2.359 1.00 2.06 C ATOM 1908 CE2 PHE A 652 9.738 -4.487 -2.898 1.00 2.34 C ATOM 1909 CZ PHE A 652 10.686 -3.744 -2.174 1.00 1.25 C ATOM 0 H PHE A 652 14.488 -7.118 -4.957 1.00 1.56 H new ATOM 0 HA PHE A 652 12.186 -8.128 -3.477 1.00 1.71 H new ATOM 0 HB2 PHE A 652 12.727 -6.182 -5.733 1.00 1.57 H new ATOM 0 HB3 PHE A 652 11.149 -6.944 -5.700 1.00 1.57 H new ATOM 0 HD1 PHE A 652 13.529 -5.151 -3.418 1.00 1.96 H new ATOM 0 HD2 PHE A 652 9.432 -5.989 -4.417 1.00 2.48 H new ATOM 0 HE1 PHE A 652 12.788 -3.422 -1.791 1.00 2.06 H new ATOM 0 HE2 PHE A 652 8.684 -4.331 -2.725 1.00 2.34 H new ATOM 0 HZ PHE A 652 10.359 -2.990 -1.474 1.00 1.25 H new ATOM 1919 N GLU A 653 13.149 -9.495 -6.267 1.00 2.15 N ATOM 1920 CA GLU A 653 12.933 -10.687 -7.100 1.00 2.53 C ATOM 1921 C GLU A 653 13.401 -11.990 -6.434 1.00 2.63 C ATOM 1922 O GLU A 653 12.848 -13.058 -6.707 1.00 2.86 O ATOM 1923 CB GLU A 653 13.517 -10.518 -8.502 1.00 2.95 C ATOM 1924 CG GLU A 653 14.966 -10.040 -8.524 1.00 1.78 C ATOM 1925 CD GLU A 653 15.593 -10.074 -9.935 1.00 2.21 C ATOM 1926 OE1 GLU A 653 15.147 -10.860 -10.810 1.00 2.72 O ATOM 1927 OE2 GLU A 653 16.607 -9.372 -10.176 1.00 3.35 O ATOM 0 H GLU A 653 14.006 -8.985 -6.479 1.00 2.15 H new ATOM 0 HA GLU A 653 11.852 -10.782 -7.207 1.00 2.53 H new ATOM 0 HB2 GLU A 653 13.453 -11.471 -9.027 1.00 2.95 H new ATOM 0 HB3 GLU A 653 12.903 -9.807 -9.055 1.00 2.95 H new ATOM 0 HG2 GLU A 653 15.013 -9.022 -8.136 1.00 1.78 H new ATOM 0 HG3 GLU A 653 15.558 -10.664 -7.854 1.00 1.78 H new ATOM 1934 N THR A 654 14.362 -11.896 -5.509 1.00 2.52 N ATOM 1935 CA THR A 654 14.868 -13.040 -4.725 1.00 2.72 C ATOM 1936 C THR A 654 13.842 -13.535 -3.698 1.00 2.72 C ATOM 1937 O THR A 654 13.629 -14.738 -3.529 1.00 3.13 O ATOM 1938 CB THR A 654 16.212 -12.697 -4.063 1.00 2.68 C ATOM 1939 OG1 THR A 654 16.815 -13.881 -3.593 1.00 3.06 O ATOM 1940 CG2 THR A 654 16.076 -11.720 -2.897 1.00 2.32 C ATOM 0 H THR A 654 14.819 -11.014 -5.277 1.00 2.52 H new ATOM 0 HA THR A 654 15.035 -13.864 -5.419 1.00 2.72 H new ATOM 0 HB THR A 654 16.824 -12.213 -4.824 1.00 2.68 H new ATOM 0 HG1 THR A 654 17.673 -13.666 -3.172 1.00 3.06 H new ATOM 0 HG21 THR A 654 17.060 -11.519 -2.474 1.00 2.32 H new ATOM 0 HG22 THR A 654 15.637 -10.788 -3.253 1.00 2.32 H new ATOM 0 HG23 THR A 654 15.434 -12.155 -2.131 1.00 2.32 H new ATOM 1948 N VAL A 655 13.140 -12.594 -3.062 1.00 2.37 N ATOM 1949 CA VAL A 655 12.035 -12.842 -2.129 1.00 2.43 C ATOM 1950 C VAL A 655 10.807 -13.374 -2.858 1.00 2.56 C ATOM 1951 O VAL A 655 10.165 -14.294 -2.371 1.00 2.74 O ATOM 1952 CB VAL A 655 11.730 -11.580 -1.303 1.00 2.30 C ATOM 1953 CG1 VAL A 655 11.430 -10.364 -2.160 1.00 2.11 C ATOM 1954 CG2 VAL A 655 10.591 -11.792 -0.301 1.00 2.50 C ATOM 0 H VAL A 655 13.332 -11.600 -3.187 1.00 2.37 H new ATOM 0 HA VAL A 655 12.340 -13.619 -1.428 1.00 2.43 H new ATOM 0 HB VAL A 655 12.649 -11.386 -0.750 1.00 2.30 H new ATOM 0 HG11 VAL A 655 11.223 -9.508 -1.518 1.00 2.11 H new ATOM 0 HG12 VAL A 655 12.290 -10.144 -2.793 1.00 2.11 H new ATOM 0 HG13 VAL A 655 10.561 -10.566 -2.786 1.00 2.11 H new ATOM 0 HG21 VAL A 655 10.419 -10.870 0.254 1.00 2.50 H new ATOM 0 HG22 VAL A 655 9.683 -12.069 -0.836 1.00 2.50 H new ATOM 0 HG23 VAL A 655 10.860 -12.588 0.393 1.00 2.50 H new