USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=30 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 648 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 602 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 605 SER OG : rot 94:sc= 0.991 USER MOD Set 3.1: A 593 THR OG1 : rot 180:sc= -0.141 USER MOD Set 3.2: A 599 MET CE :methyl -160:sc= -0.473 (180deg=-1.15) USER MOD Set 4.1: A 559 LYS NZ :NH3+ 167:sc= 0.68 (180deg=0) USER MOD Set 4.2: A 634 SER OG : rot 116:sc= 1.86 USER MOD Set 5.1: A 542 MET CE :methyl 172:sc= 0 (180deg=-0.0401) USER MOD Set 5.2: A 581 MET CE :methyl 162:sc= -1.88 (180deg=-2.12) USER MOD Single : A 535 CYS SG : rot 160:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 160:sc= 1.27 USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 0.735 K(o=0.74,f=0) USER MOD Single : A 554 THR OG1 : rot 118:sc= 1.24 USER MOD Single : A 556 MET CE :methyl -177:sc= -1.28 (180deg=-1.39) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= 0.0292 X(o=0.029,f=-0.16) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 585 GLN : amide:sc= 0.823 K(o=0.82,f=-4.9!) USER MOD Single : A 586 HIS : no HD1:sc= -0.0814 X(o=-0.081,f=0) USER MOD Single : A 590 SER OG : rot -73:sc= 0.724 USER MOD Single : A 594 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.04) USER MOD Single : A 596 ASN : amide:sc= -0.647 K(o=-0.65,f=-3.9!) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 180:sc= 0.152 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= -0.119 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 13:sc= -0.193 USER MOD Single : A 631 TYR OH : rot 100:sc= -0.0784 USER MOD Single : A 632 SER OG : rot -172:sc= 1.33 USER MOD Single : A 637 ASN : amide:sc= 0.815 K(o=0.81,f=-0.2) USER MOD Single : A 639 ASN : amide:sc= 1.21 K(o=1.2,f=0) 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 6.251 11.819 3.905 1.00 1.92 N ATOM 16 CA CYS A 535 5.636 10.635 3.282 1.00 1.65 C ATOM 17 C CYS A 535 6.549 9.389 3.209 1.00 1.30 C ATOM 18 O CYS A 535 6.061 8.264 3.355 1.00 1.23 O ATOM 19 CB CYS A 535 5.135 11.048 1.889 1.00 2.68 C ATOM 20 SG CYS A 535 4.033 9.776 1.205 1.00 3.62 S ATOM 0 HA CYS A 535 4.814 10.313 3.921 1.00 1.65 H new ATOM 0 HB2 CYS A 535 4.606 11.999 1.954 1.00 2.68 H new ATOM 0 HB3 CYS A 535 5.983 11.200 1.221 1.00 2.68 H new ATOM 0 HG CYS A 535 3.300 10.296 0.266 1.00 3.62 H new ATOM 26 N ARG A 536 7.877 9.557 3.097 1.00 1.33 N ATOM 27 CA ARG A 536 8.868 8.462 3.212 1.00 1.26 C ATOM 28 C ARG A 536 8.720 7.595 4.474 1.00 1.22 C ATOM 29 O ARG A 536 9.028 6.405 4.418 1.00 1.26 O ATOM 30 CB ARG A 536 10.295 9.029 3.068 1.00 1.57 C ATOM 31 CG ARG A 536 10.743 9.928 4.236 1.00 1.70 C ATOM 32 CD ARG A 536 12.168 10.453 4.016 1.00 2.03 C ATOM 33 NE ARG A 536 12.620 11.279 5.151 1.00 2.52 N ATOM 34 CZ ARG A 536 13.697 12.048 5.175 1.00 3.02 C ATOM 35 NH1 ARG A 536 14.553 12.122 4.198 1.00 3.49 N ATOM 36 NH2 ARG A 536 13.974 12.793 6.200 1.00 3.90 N ATOM 0 H ARG A 536 8.303 10.467 2.922 1.00 1.33 H new ATOM 0 HA ARG A 536 8.666 7.775 2.390 1.00 1.26 H new ATOM 0 HB2 ARG A 536 10.995 8.199 2.975 1.00 1.57 H new ATOM 0 HB3 ARG A 536 10.354 9.601 2.142 1.00 1.57 H new ATOM 0 HG2 ARG A 536 10.055 10.767 4.337 1.00 1.70 H new ATOM 0 HG3 ARG A 536 10.700 9.366 5.169 1.00 1.70 H new ATOM 0 HD2 ARG A 536 12.850 9.613 3.881 1.00 2.03 H new ATOM 0 HD3 ARG A 536 12.203 11.042 3.099 1.00 2.03 H new ATOM 0 HE ARG A 536 12.050 11.255 5.996 1.00 2.52 H new ATOM 0 HH11 ARG A 536 14.412 11.568 3.353 1.00 3.49 H new ATOM 0 HH12 ARG A 536 15.365 12.734 4.277 1.00 3.49 H new ATOM 0 HH21 ARG A 536 13.356 12.795 7.011 1.00 3.90 H new ATOM 0 HH22 ARG A 536 14.810 13.377 6.195 1.00 3.90 H new ATOM 50 N LYS A 537 8.209 8.139 5.589 1.00 1.30 N ATOM 51 CA LYS A 537 7.882 7.391 6.815 1.00 1.39 C ATOM 52 C LYS A 537 6.639 6.510 6.664 1.00 1.37 C ATOM 53 O LYS A 537 6.554 5.462 7.304 1.00 1.54 O ATOM 54 CB LYS A 537 7.713 8.407 7.964 1.00 1.54 C ATOM 55 CG LYS A 537 7.442 7.794 9.350 1.00 2.11 C ATOM 56 CD LYS A 537 8.518 6.775 9.744 1.00 3.11 C ATOM 57 CE LYS A 537 8.411 6.308 11.200 1.00 3.62 C ATOM 58 NZ LYS A 537 7.140 5.607 11.501 1.00 4.58 N ATOM 0 H LYS A 537 8.006 9.136 5.666 1.00 1.30 H new ATOM 0 HA LYS A 537 8.698 6.702 7.032 1.00 1.39 H new ATOM 0 HB2 LYS A 537 8.615 9.016 8.024 1.00 1.54 H new ATOM 0 HB3 LYS A 537 6.891 9.079 7.715 1.00 1.54 H new ATOM 0 HG2 LYS A 537 7.402 8.587 10.096 1.00 2.11 H new ATOM 0 HG3 LYS A 537 6.466 7.309 9.348 1.00 2.11 H new ATOM 0 HD2 LYS A 537 8.446 5.909 9.086 1.00 3.11 H new ATOM 0 HD3 LYS A 537 9.502 7.216 9.583 1.00 3.11 H new ATOM 0 HE2 LYS A 537 9.246 5.643 11.423 1.00 3.62 H new ATOM 0 HE3 LYS A 537 8.506 7.171 11.859 1.00 3.62 H new ATOM 0 HZ1 LYS A 537 7.131 5.318 12.500 1.00 4.58 H new ATOM 0 HZ2 LYS A 537 6.340 6.246 11.318 1.00 4.58 H new ATOM 0 HZ3 LYS A 537 7.056 4.765 10.896 1.00 4.58 H new ATOM 72 N LEU A 538 5.688 6.910 5.821 1.00 1.28 N ATOM 73 CA LEU A 538 4.403 6.235 5.647 1.00 1.40 C ATOM 74 C LEU A 538 4.551 4.984 4.768 1.00 1.36 C ATOM 75 O LEU A 538 4.182 3.893 5.199 1.00 1.46 O ATOM 76 CB LEU A 538 3.357 7.224 5.090 1.00 1.48 C ATOM 77 CG LEU A 538 3.226 8.564 5.841 1.00 1.93 C ATOM 78 CD1 LEU A 538 2.120 9.403 5.201 1.00 3.55 C ATOM 79 CD2 LEU A 538 2.887 8.365 7.317 1.00 1.88 C ATOM 0 H LEU A 538 5.792 7.732 5.226 1.00 1.28 H new ATOM 0 HA LEU A 538 4.048 5.891 6.618 1.00 1.40 H new ATOM 0 HB2 LEU A 538 3.605 7.436 4.050 1.00 1.48 H new ATOM 0 HB3 LEU A 538 2.384 6.732 5.092 1.00 1.48 H new ATOM 0 HG LEU A 538 4.190 9.069 5.773 1.00 1.93 H new ATOM 0 HD11 LEU A 538 2.028 10.350 5.733 1.00 3.55 H new ATOM 0 HD12 LEU A 538 2.367 9.595 4.157 1.00 3.55 H new ATOM 0 HD13 LEU A 538 1.175 8.863 5.257 1.00 3.55 H new ATOM 0 HD21 LEU A 538 2.805 9.336 7.806 1.00 1.88 H new ATOM 0 HD22 LEU A 538 1.939 7.833 7.404 1.00 1.88 H new ATOM 0 HD23 LEU A 538 3.675 7.783 7.796 1.00 1.88 H new ATOM 91 N VAL A 539 5.168 5.111 3.585 1.00 1.29 N ATOM 92 CA VAL A 539 5.395 3.971 2.668 1.00 1.39 C ATOM 93 C VAL A 539 6.260 2.878 3.322 1.00 1.66 C ATOM 94 O VAL A 539 6.006 1.686 3.163 1.00 1.90 O ATOM 95 CB VAL A 539 5.926 4.466 1.307 1.00 1.15 C ATOM 96 CG1 VAL A 539 7.447 4.477 1.190 1.00 1.14 C ATOM 97 CG2 VAL A 539 5.349 3.601 0.191 1.00 1.21 C ATOM 0 H VAL A 539 5.524 5.999 3.233 1.00 1.29 H new ATOM 0 HA VAL A 539 4.440 3.488 2.463 1.00 1.39 H new ATOM 0 HB VAL A 539 5.603 5.503 1.220 1.00 1.15 H new ATOM 0 HG11 VAL A 539 7.733 4.838 0.202 1.00 1.14 H new ATOM 0 HG12 VAL A 539 7.866 5.134 1.952 1.00 1.14 H new ATOM 0 HG13 VAL A 539 7.830 3.466 1.332 1.00 1.14 H new ATOM 0 HG21 VAL A 539 5.724 3.950 -0.771 1.00 1.21 H new ATOM 0 HG22 VAL A 539 5.649 2.564 0.342 1.00 1.21 H new ATOM 0 HG23 VAL A 539 4.261 3.670 0.203 1.00 1.21 H new ATOM 107 N ALA A 540 7.208 3.285 4.173 1.00 1.70 N ATOM 108 CA ALA A 540 8.080 2.418 4.964 1.00 2.01 C ATOM 109 C ALA A 540 7.365 1.573 6.045 1.00 2.35 C ATOM 110 O ALA A 540 8.011 0.777 6.734 1.00 2.56 O ATOM 111 CB ALA A 540 9.134 3.323 5.600 1.00 2.08 C ATOM 0 H ALA A 540 7.395 4.275 4.335 1.00 1.70 H new ATOM 0 HA ALA A 540 8.510 1.673 4.295 1.00 2.01 H new ATOM 0 HB1 ALA A 540 9.813 2.722 6.204 1.00 2.08 H new ATOM 0 HB2 ALA A 540 9.697 3.831 4.817 1.00 2.08 H new ATOM 0 HB3 ALA A 540 8.644 4.063 6.233 1.00 2.08 H new ATOM 117 N SER A 541 6.047 1.733 6.210 1.00 2.46 N ATOM 118 CA SER A 541 5.241 1.052 7.228 1.00 2.82 C ATOM 119 C SER A 541 5.018 -0.412 6.848 1.00 2.67 C ATOM 120 O SER A 541 5.013 -1.305 7.698 1.00 2.62 O ATOM 121 CB SER A 541 3.911 1.781 7.362 1.00 3.26 C ATOM 122 OG SER A 541 3.050 1.178 8.303 1.00 4.59 O ATOM 0 H SER A 541 5.496 2.358 5.621 1.00 2.46 H new ATOM 0 HA SER A 541 5.766 1.068 8.183 1.00 2.82 H new ATOM 0 HB2 SER A 541 4.096 2.814 7.655 1.00 3.26 H new ATOM 0 HB3 SER A 541 3.418 1.809 6.390 1.00 3.26 H new ATOM 0 HG SER A 541 2.373 1.826 8.589 1.00 4.59 H new ATOM 128 N MET A 542 4.952 -0.665 5.540 1.00 2.56 N ATOM 129 CA MET A 542 4.865 -1.991 4.960 1.00 2.40 C ATOM 130 C MET A 542 6.098 -2.858 5.290 1.00 2.22 C ATOM 131 O MET A 542 7.224 -2.401 5.084 1.00 2.16 O ATOM 132 CB MET A 542 4.759 -1.843 3.441 1.00 2.22 C ATOM 133 CG MET A 542 3.379 -1.384 2.967 1.00 2.31 C ATOM 134 SD MET A 542 3.202 -1.408 1.162 1.00 2.97 S ATOM 135 CE MET A 542 2.986 -3.185 0.874 1.00 2.24 C ATOM 0 H MET A 542 4.958 0.076 4.839 1.00 2.56 H new ATOM 0 HA MET A 542 3.991 -2.489 5.380 1.00 2.40 H new ATOM 0 HB2 MET A 542 5.508 -1.128 3.101 1.00 2.22 H new ATOM 0 HB3 MET A 542 4.996 -2.799 2.973 1.00 2.22 H new ATOM 0 HG2 MET A 542 2.617 -2.026 3.409 1.00 2.31 H new ATOM 0 HG3 MET A 542 3.194 -0.373 3.331 1.00 2.31 H new ATOM 0 HE1 MET A 542 2.723 -3.355 -0.170 1.00 2.24 H new ATOM 0 HE2 MET A 542 3.915 -3.706 1.103 1.00 2.24 H new ATOM 0 HE3 MET A 542 2.190 -3.563 1.515 1.00 2.24 H new ATOM 145 N PRO A 543 5.935 -4.143 5.669 1.00 2.18 N ATOM 146 CA PRO A 543 7.055 -5.065 5.895 1.00 2.12 C ATOM 147 C PRO A 543 7.845 -5.402 4.614 1.00 2.04 C ATOM 148 O PRO A 543 8.958 -5.916 4.687 1.00 2.12 O ATOM 149 CB PRO A 543 6.431 -6.307 6.539 1.00 2.17 C ATOM 150 CG PRO A 543 4.995 -6.303 6.022 1.00 2.27 C ATOM 151 CD PRO A 543 4.670 -4.814 5.916 1.00 2.27 C ATOM 0 HA PRO A 543 7.806 -4.607 6.539 1.00 2.12 H new ATOM 0 HB2 PRO A 543 6.958 -7.216 6.249 1.00 2.17 H new ATOM 0 HB3 PRO A 543 6.465 -6.253 7.627 1.00 2.17 H new ATOM 0 HG2 PRO A 543 4.912 -6.803 5.057 1.00 2.27 H new ATOM 0 HG3 PRO A 543 4.319 -6.816 6.706 1.00 2.27 H new ATOM 0 HD2 PRO A 543 3.964 -4.626 5.107 1.00 2.27 H new ATOM 0 HD3 PRO A 543 4.208 -4.449 6.833 1.00 2.27 H new ATOM 159 N LEU A 544 7.316 -5.062 3.436 1.00 1.92 N ATOM 160 CA LEU A 544 8.014 -5.114 2.145 1.00 1.82 C ATOM 161 C LEU A 544 9.087 -4.008 1.999 1.00 1.74 C ATOM 162 O LEU A 544 10.065 -4.182 1.274 1.00 1.68 O ATOM 163 CB LEU A 544 6.906 -5.095 1.072 1.00 1.87 C ATOM 164 CG LEU A 544 7.364 -5.200 -0.395 1.00 1.80 C ATOM 165 CD1 LEU A 544 6.251 -5.869 -1.199 1.00 1.90 C ATOM 166 CD2 LEU A 544 7.583 -3.825 -1.032 1.00 2.68 C ATOM 0 H LEU A 544 6.355 -4.731 3.350 1.00 1.92 H new ATOM 0 HA LEU A 544 8.609 -6.021 2.039 1.00 1.82 H new ATOM 0 HB2 LEU A 544 6.221 -5.919 1.275 1.00 1.87 H new ATOM 0 HB3 LEU A 544 6.337 -4.172 1.186 1.00 1.87 H new ATOM 0 HG LEU A 544 8.299 -5.760 -0.405 1.00 1.80 H new ATOM 0 HD11 LEU A 544 6.556 -5.953 -2.242 1.00 1.90 H new ATOM 0 HD12 LEU A 544 6.058 -6.863 -0.796 1.00 1.90 H new ATOM 0 HD13 LEU A 544 5.344 -5.269 -1.133 1.00 1.90 H new ATOM 0 HD21 LEU A 544 7.905 -3.950 -2.066 1.00 2.68 H new ATOM 0 HD22 LEU A 544 6.651 -3.260 -1.008 1.00 2.68 H new ATOM 0 HD23 LEU A 544 8.349 -3.284 -0.476 1.00 2.68 H new ATOM 178 N PHE A 545 8.945 -2.902 2.739 1.00 1.79 N ATOM 179 CA PHE A 545 9.865 -1.760 2.824 1.00 1.73 C ATOM 180 C PHE A 545 10.661 -1.741 4.156 1.00 1.89 C ATOM 181 O PHE A 545 11.284 -0.733 4.503 1.00 1.93 O ATOM 182 CB PHE A 545 9.070 -0.453 2.660 1.00 1.72 C ATOM 183 CG PHE A 545 8.412 -0.153 1.320 1.00 1.56 C ATOM 184 CD1 PHE A 545 7.270 -0.859 0.898 1.00 2.86 C ATOM 185 CD2 PHE A 545 8.845 0.960 0.574 1.00 1.65 C ATOM 186 CE1 PHE A 545 6.519 -0.403 -0.199 1.00 2.77 C ATOM 187 CE2 PHE A 545 8.106 1.408 -0.535 1.00 1.68 C ATOM 188 CZ PHE A 545 6.917 0.752 -0.890 1.00 1.43 C ATOM 0 H PHE A 545 8.128 -2.772 3.336 1.00 1.79 H new ATOM 0 HA PHE A 545 10.595 -1.858 2.020 1.00 1.73 H new ATOM 0 HB2 PHE A 545 8.288 -0.446 3.420 1.00 1.72 H new ATOM 0 HB3 PHE A 545 9.744 0.373 2.888 1.00 1.72 H new ATOM 0 HD1 PHE A 545 6.969 -1.756 1.420 1.00 2.86 H new ATOM 0 HD2 PHE A 545 9.752 1.474 0.856 1.00 1.65 H new ATOM 0 HE1 PHE A 545 5.636 -0.941 -0.510 1.00 2.77 H new ATOM 0 HE2 PHE A 545 8.452 2.253 -1.111 1.00 1.68 H new ATOM 0 HZ PHE A 545 6.308 1.136 -1.695 1.00 1.43 H new ATOM 198 N ALA A 546 10.649 -2.843 4.918 1.00 2.02 N ATOM 199 CA ALA A 546 11.236 -2.969 6.257 1.00 2.27 C ATOM 200 C ALA A 546 12.729 -2.630 6.323 1.00 2.23 C ATOM 201 O ALA A 546 13.221 -2.134 7.340 1.00 2.46 O ATOM 202 CB ALA A 546 11.089 -4.434 6.653 1.00 2.40 C ATOM 0 H ALA A 546 10.210 -3.708 4.603 1.00 2.02 H new ATOM 0 HA ALA A 546 10.722 -2.266 6.913 1.00 2.27 H new ATOM 0 HB1 ALA A 546 11.511 -4.587 7.646 1.00 2.40 H new ATOM 0 HB2 ALA A 546 10.033 -4.704 6.662 1.00 2.40 H new ATOM 0 HB3 ALA A 546 11.618 -5.060 5.934 1.00 2.40 H new ATOM 208 N ASN A 547 13.422 -2.951 5.234 1.00 2.01 N ATOM 209 CA ASN A 547 14.870 -3.014 5.081 1.00 2.02 C ATOM 210 C ASN A 547 15.382 -2.078 3.960 1.00 1.75 C ATOM 211 O ASN A 547 16.589 -1.979 3.721 1.00 1.79 O ATOM 212 CB ASN A 547 15.191 -4.503 4.836 1.00 2.19 C ATOM 213 CG ASN A 547 15.827 -5.157 6.037 1.00 2.48 C ATOM 214 OD1 ASN A 547 17.023 -5.055 6.271 1.00 2.93 O ATOM 215 ND2 ASN A 547 15.068 -5.824 6.864 1.00 2.78 N ATOM 0 H ASN A 547 12.945 -3.193 4.366 1.00 2.01 H new ATOM 0 HA ASN A 547 15.389 -2.652 5.969 1.00 2.02 H new ATOM 0 HB2 ASN A 547 14.273 -5.033 4.580 1.00 2.19 H new ATOM 0 HB3 ASN A 547 15.860 -4.592 3.980 1.00 2.19 H new ATOM 0 HD21 ASN A 547 15.474 -6.254 7.695 1.00 2.78 H new ATOM 0 HD22 ASN A 547 14.069 -5.915 6.679 1.00 2.78 H new ATOM 222 N ALA A 548 14.449 -1.404 3.279 1.00 1.63 N ATOM 223 CA ALA A 548 14.656 -0.582 2.087 1.00 1.47 C ATOM 224 C ALA A 548 15.635 0.597 2.287 1.00 1.49 C ATOM 225 O ALA A 548 15.622 1.249 3.333 1.00 1.69 O ATOM 226 CB ALA A 548 13.273 -0.069 1.649 1.00 1.49 C ATOM 0 H ALA A 548 13.470 -1.420 3.565 1.00 1.63 H new ATOM 0 HA ALA A 548 15.127 -1.201 1.323 1.00 1.47 H new ATOM 0 HB1 ALA A 548 13.380 0.551 0.759 1.00 1.49 H new ATOM 0 HB2 ALA A 548 12.625 -0.916 1.425 1.00 1.49 H new ATOM 0 HB3 ALA A 548 12.833 0.522 2.452 1.00 1.49 H new ATOM 232 N ASP A 549 16.428 0.934 1.259 1.00 1.35 N ATOM 233 CA ASP A 549 17.265 2.147 1.260 1.00 1.38 C ATOM 234 C ASP A 549 16.377 3.410 1.241 1.00 1.33 C ATOM 235 O ASP A 549 15.509 3.519 0.366 1.00 1.14 O ATOM 236 CB ASP A 549 18.228 2.144 0.058 1.00 1.29 C ATOM 237 CG ASP A 549 19.221 3.317 0.081 1.00 1.48 C ATOM 238 OD1 ASP A 549 18.831 4.465 -0.235 1.00 2.09 O ATOM 239 OD2 ASP A 549 20.411 3.094 0.413 1.00 2.27 O ATOM 0 H ASP A 549 16.508 0.378 0.407 1.00 1.35 H new ATOM 0 HA ASP A 549 17.861 2.155 2.173 1.00 1.38 H new ATOM 0 HB2 ASP A 549 18.783 1.206 0.046 1.00 1.29 H new ATOM 0 HB3 ASP A 549 17.649 2.183 -0.865 1.00 1.29 H new ATOM 244 N PRO A 550 16.581 4.392 2.139 1.00 1.50 N ATOM 245 CA PRO A 550 15.689 5.548 2.295 1.00 1.52 C ATOM 246 C PRO A 550 15.565 6.428 1.040 1.00 1.39 C ATOM 247 O PRO A 550 14.631 7.224 0.931 1.00 1.41 O ATOM 248 CB PRO A 550 16.268 6.345 3.468 1.00 1.71 C ATOM 249 CG PRO A 550 17.750 5.982 3.429 1.00 1.76 C ATOM 250 CD PRO A 550 17.700 4.505 3.062 1.00 1.70 C ATOM 0 HA PRO A 550 14.670 5.204 2.471 1.00 1.52 H new ATOM 0 HB2 PRO A 550 16.111 7.417 3.345 1.00 1.71 H new ATOM 0 HB3 PRO A 550 15.808 6.062 4.415 1.00 1.71 H new ATOM 0 HG2 PRO A 550 18.295 6.569 2.690 1.00 1.76 H new ATOM 0 HG3 PRO A 550 18.237 6.148 4.390 1.00 1.76 H new ATOM 0 HD2 PRO A 550 18.631 4.181 2.597 1.00 1.70 H new ATOM 0 HD3 PRO A 550 17.550 3.883 3.944 1.00 1.70 H new ATOM 258 N ASN A 551 16.468 6.283 0.070 1.00 1.32 N ATOM 259 CA ASN A 551 16.472 7.066 -1.164 1.00 1.20 C ATOM 260 C ASN A 551 15.673 6.372 -2.265 1.00 0.98 C ATOM 261 O ASN A 551 14.919 7.027 -2.979 1.00 0.89 O ATOM 262 CB ASN A 551 17.909 7.340 -1.612 1.00 1.30 C ATOM 263 CG ASN A 551 18.724 8.029 -0.541 1.00 1.55 C ATOM 264 OD1 ASN A 551 18.712 9.246 -0.409 1.00 1.82 O ATOM 265 ND2 ASN A 551 19.434 7.274 0.259 1.00 2.28 N ATOM 0 H ASN A 551 17.230 5.607 0.121 1.00 1.32 H new ATOM 0 HA ASN A 551 15.985 8.021 -0.965 1.00 1.20 H new ATOM 0 HB2 ASN A 551 18.389 6.399 -1.881 1.00 1.30 H new ATOM 0 HB3 ASN A 551 17.895 7.959 -2.509 1.00 1.30 H new ATOM 0 HD21 ASN A 551 19.987 7.699 1.004 1.00 2.28 H new ATOM 0 HD22 ASN A 551 19.435 6.261 0.137 1.00 2.28 H new ATOM 272 N PHE A 552 15.770 5.043 -2.332 1.00 0.95 N ATOM 273 CA PHE A 552 14.947 4.186 -3.193 1.00 0.83 C ATOM 274 C PHE A 552 13.458 4.355 -2.865 1.00 0.83 C ATOM 275 O PHE A 552 12.644 4.584 -3.759 1.00 0.80 O ATOM 276 CB PHE A 552 15.424 2.731 -3.023 1.00 0.84 C ATOM 277 CG PHE A 552 14.401 1.653 -3.327 1.00 0.85 C ATOM 278 CD1 PHE A 552 14.039 1.349 -4.652 1.00 1.75 C ATOM 279 CD2 PHE A 552 13.805 0.952 -2.262 1.00 2.05 C ATOM 280 CE1 PHE A 552 13.076 0.355 -4.903 1.00 1.79 C ATOM 281 CE2 PHE A 552 12.851 -0.048 -2.514 1.00 2.08 C ATOM 282 CZ PHE A 552 12.488 -0.348 -3.837 1.00 0.99 C ATOM 0 H PHE A 552 16.442 4.516 -1.774 1.00 0.95 H new ATOM 0 HA PHE A 552 15.062 4.473 -4.238 1.00 0.83 H new ATOM 0 HB2 PHE A 552 16.288 2.576 -3.669 1.00 0.84 H new ATOM 0 HB3 PHE A 552 15.766 2.600 -1.996 1.00 0.84 H new ATOM 0 HD1 PHE A 552 14.499 1.877 -5.474 1.00 1.75 H new ATOM 0 HD2 PHE A 552 14.083 1.184 -1.245 1.00 2.05 H new ATOM 0 HE1 PHE A 552 12.787 0.131 -5.919 1.00 1.79 H new ATOM 0 HE2 PHE A 552 12.398 -0.584 -1.693 1.00 2.08 H new ATOM 0 HZ PHE A 552 11.758 -1.118 -4.035 1.00 0.99 H new ATOM 292 N VAL A 553 13.105 4.336 -1.573 1.00 0.90 N ATOM 293 CA VAL A 553 11.697 4.484 -1.144 1.00 0.96 C ATOM 294 C VAL A 553 11.131 5.874 -1.437 1.00 0.93 C ATOM 295 O VAL A 553 9.950 6.022 -1.719 1.00 0.97 O ATOM 296 CB VAL A 553 11.474 4.133 0.332 1.00 1.20 C ATOM 297 CG1 VAL A 553 12.140 2.802 0.631 1.00 1.91 C ATOM 298 CG2 VAL A 553 12.042 5.103 1.361 1.00 1.26 C ATOM 0 H VAL A 553 13.767 4.221 -0.806 1.00 0.90 H new ATOM 0 HA VAL A 553 11.151 3.758 -1.746 1.00 0.96 H new ATOM 0 HB VAL A 553 10.389 4.146 0.434 1.00 1.20 H new ATOM 0 HG11 VAL A 553 11.986 2.545 1.679 1.00 1.91 H new ATOM 0 HG12 VAL A 553 11.705 2.027 -0.000 1.00 1.91 H new ATOM 0 HG13 VAL A 553 13.209 2.876 0.429 1.00 1.91 H new ATOM 0 HG21 VAL A 553 11.817 4.742 2.365 1.00 1.26 H new ATOM 0 HG22 VAL A 553 13.122 5.176 1.235 1.00 1.26 H new ATOM 0 HG23 VAL A 553 11.593 6.086 1.221 1.00 1.26 H new ATOM 308 N THR A 554 11.997 6.887 -1.387 1.00 0.91 N ATOM 309 CA THR A 554 11.677 8.304 -1.617 1.00 0.91 C ATOM 310 C THR A 554 11.597 8.665 -3.106 1.00 0.78 C ATOM 311 O THR A 554 10.682 9.384 -3.516 1.00 0.80 O ATOM 312 CB THR A 554 12.707 9.212 -0.927 1.00 1.02 C ATOM 313 OG1 THR A 554 12.733 9.008 0.471 1.00 1.14 O ATOM 314 CG2 THR A 554 12.361 10.678 -1.166 1.00 1.09 C ATOM 0 H THR A 554 12.984 6.740 -1.176 1.00 0.91 H new ATOM 0 HA THR A 554 10.689 8.466 -1.185 1.00 0.91 H new ATOM 0 HB THR A 554 13.679 8.962 -1.351 1.00 1.02 H new ATOM 0 HG1 THR A 554 13.617 8.678 0.737 1.00 1.14 H new ATOM 0 HG21 THR A 554 13.098 11.311 -0.672 1.00 1.09 H new ATOM 0 HG22 THR A 554 12.366 10.883 -2.237 1.00 1.09 H new ATOM 0 HG23 THR A 554 11.372 10.889 -0.760 1.00 1.09 H new ATOM 322 N ALA A 555 12.519 8.155 -3.933 1.00 0.67 N ATOM 323 CA ALA A 555 12.567 8.413 -5.378 1.00 0.65 C ATOM 324 C ALA A 555 11.309 7.902 -6.106 1.00 0.66 C ATOM 325 O ALA A 555 11.007 8.303 -7.228 1.00 0.81 O ATOM 326 CB ALA A 555 13.823 7.742 -5.953 1.00 0.70 C ATOM 0 H ALA A 555 13.266 7.540 -3.610 1.00 0.67 H new ATOM 0 HA ALA A 555 12.603 9.491 -5.534 1.00 0.65 H new ATOM 0 HB1 ALA A 555 13.874 7.924 -7.026 1.00 0.70 H new ATOM 0 HB2 ALA A 555 14.709 8.156 -5.472 1.00 0.70 H new ATOM 0 HB3 ALA A 555 13.779 6.669 -5.769 1.00 0.70 H new ATOM 332 N MET A 556 10.578 7.000 -5.453 1.00 0.64 N ATOM 333 CA MET A 556 9.338 6.392 -5.925 1.00 0.78 C ATOM 334 C MET A 556 8.116 7.328 -5.846 1.00 0.88 C ATOM 335 O MET A 556 7.232 7.254 -6.701 1.00 1.12 O ATOM 336 CB MET A 556 9.156 5.167 -5.032 1.00 0.87 C ATOM 337 CG MET A 556 8.093 4.175 -5.488 1.00 0.87 C ATOM 338 SD MET A 556 7.927 2.778 -4.344 1.00 0.84 S ATOM 339 CE MET A 556 9.661 2.274 -4.084 1.00 0.69 C ATOM 0 H MET A 556 10.850 6.657 -4.532 1.00 0.64 H new ATOM 0 HA MET A 556 9.407 6.147 -6.985 1.00 0.78 H new ATOM 0 HB2 MET A 556 10.110 4.644 -4.963 1.00 0.87 H new ATOM 0 HB3 MET A 556 8.905 5.506 -4.027 1.00 0.87 H new ATOM 0 HG2 MET A 556 7.135 4.687 -5.576 1.00 0.87 H new ATOM 0 HG3 MET A 556 8.348 3.802 -6.480 1.00 0.87 H new ATOM 0 HE1 MET A 556 9.692 1.393 -3.443 1.00 0.69 H new ATOM 0 HE2 MET A 556 10.120 2.040 -5.045 1.00 0.69 H new ATOM 0 HE3 MET A 556 10.209 3.087 -3.608 1.00 0.69 H new ATOM 349 N LEU A 557 8.075 8.212 -4.841 1.00 0.86 N ATOM 350 CA LEU A 557 6.898 9.004 -4.428 1.00 1.01 C ATOM 351 C LEU A 557 6.656 10.252 -5.298 1.00 0.91 C ATOM 352 O LEU A 557 5.663 10.956 -5.117 1.00 0.89 O ATOM 353 CB LEU A 557 7.077 9.453 -2.962 1.00 1.14 C ATOM 354 CG LEU A 557 7.620 8.414 -1.969 1.00 1.15 C ATOM 355 CD1 LEU A 557 7.763 9.048 -0.590 1.00 1.31 C ATOM 356 CD2 LEU A 557 6.716 7.187 -1.860 1.00 1.29 C ATOM 0 H LEU A 557 8.894 8.407 -4.265 1.00 0.86 H new ATOM 0 HA LEU A 557 6.031 8.355 -4.549 1.00 1.01 H new ATOM 0 HB2 LEU A 557 7.748 10.312 -2.952 1.00 1.14 H new ATOM 0 HB3 LEU A 557 6.111 9.798 -2.594 1.00 1.14 H new ATOM 0 HG LEU A 557 8.589 8.085 -2.344 1.00 1.15 H new ATOM 0 HD11 LEU A 557 8.148 8.309 0.112 1.00 1.31 H new ATOM 0 HD12 LEU A 557 8.454 9.889 -0.646 1.00 1.31 H new ATOM 0 HD13 LEU A 557 6.789 9.400 -0.249 1.00 1.31 H new ATOM 0 HD21 LEU A 557 7.143 6.483 -1.146 1.00 1.29 H new ATOM 0 HD22 LEU A 557 5.727 7.493 -1.520 1.00 1.29 H new ATOM 0 HD23 LEU A 557 6.632 6.709 -2.836 1.00 1.29 H new ATOM 368 N THR A 558 7.560 10.556 -6.226 1.00 0.88 N ATOM 369 CA THR A 558 7.510 11.732 -7.119 1.00 0.95 C ATOM 370 C THR A 558 6.163 11.942 -7.830 1.00 0.89 C ATOM 371 O THR A 558 5.737 13.091 -7.978 1.00 0.98 O ATOM 372 CB THR A 558 8.608 11.623 -8.189 1.00 1.22 C ATOM 373 OG1 THR A 558 8.528 10.368 -8.827 1.00 2.00 O ATOM 374 CG2 THR A 558 9.998 11.742 -7.575 1.00 1.52 C ATOM 0 H THR A 558 8.382 9.974 -6.390 1.00 0.88 H new ATOM 0 HA THR A 558 7.661 12.592 -6.466 1.00 0.95 H new ATOM 0 HB THR A 558 8.453 12.436 -8.898 1.00 1.22 H new ATOM 0 HG1 THR A 558 9.228 10.303 -9.510 1.00 2.00 H new ATOM 0 HG21 THR A 558 10.750 11.661 -8.359 1.00 1.52 H new ATOM 0 HG22 THR A 558 10.095 12.707 -7.078 1.00 1.52 H new ATOM 0 HG23 THR A 558 10.144 10.943 -6.848 1.00 1.52 H new ATOM 382 N LYS A 559 5.469 10.866 -8.226 1.00 0.86 N ATOM 383 CA LYS A 559 4.169 10.884 -8.932 1.00 0.89 C ATOM 384 C LYS A 559 2.930 10.720 -8.031 1.00 0.90 C ATOM 385 O LYS A 559 1.833 10.487 -8.541 1.00 1.14 O ATOM 386 CB LYS A 559 4.189 9.800 -10.030 1.00 1.26 C ATOM 387 CG LYS A 559 4.309 8.368 -9.460 1.00 1.79 C ATOM 388 CD LYS A 559 3.404 7.346 -10.163 1.00 1.90 C ATOM 389 CE LYS A 559 1.927 7.600 -9.847 1.00 2.28 C ATOM 390 NZ LYS A 559 1.053 6.569 -10.458 1.00 3.08 N ATOM 0 H LYS A 559 5.807 9.918 -8.059 1.00 0.86 H new ATOM 0 HA LYS A 559 4.063 11.882 -9.358 1.00 0.89 H new ATOM 0 HB2 LYS A 559 3.278 9.874 -10.623 1.00 1.26 H new ATOM 0 HB3 LYS A 559 5.024 9.988 -10.704 1.00 1.26 H new ATOM 0 HG2 LYS A 559 5.345 8.040 -9.542 1.00 1.79 H new ATOM 0 HG3 LYS A 559 4.064 8.387 -8.398 1.00 1.79 H new ATOM 0 HD2 LYS A 559 3.562 7.398 -11.240 1.00 1.90 H new ATOM 0 HD3 LYS A 559 3.677 6.339 -9.849 1.00 1.90 H new ATOM 0 HE2 LYS A 559 1.781 7.608 -8.767 1.00 2.28 H new ATOM 0 HE3 LYS A 559 1.640 8.585 -10.214 1.00 2.28 H new ATOM 0 HZ1 LYS A 559 0.098 6.638 -10.051 1.00 3.08 H new ATOM 0 HZ2 LYS A 559 1.003 6.721 -11.486 1.00 3.08 H new ATOM 0 HZ3 LYS A 559 1.444 5.625 -10.266 1.00 3.08 H new ATOM 404 N LEU A 560 3.106 10.693 -6.709 1.00 0.84 N ATOM 405 CA LEU A 560 2.162 10.040 -5.799 1.00 0.88 C ATOM 406 C LEU A 560 0.799 10.743 -5.696 1.00 0.92 C ATOM 407 O LEU A 560 0.704 11.973 -5.721 1.00 1.08 O ATOM 408 CB LEU A 560 2.847 9.835 -4.435 1.00 1.00 C ATOM 409 CG LEU A 560 2.103 8.933 -3.439 1.00 1.09 C ATOM 410 CD1 LEU A 560 1.744 7.601 -4.083 1.00 2.18 C ATOM 411 CD2 LEU A 560 3.032 8.557 -2.291 1.00 1.24 C ATOM 0 H LEU A 560 3.904 11.121 -6.240 1.00 0.84 H new ATOM 0 HA LEU A 560 1.906 9.067 -6.218 1.00 0.88 H new ATOM 0 HB2 LEU A 560 3.837 9.414 -4.607 1.00 1.00 H new ATOM 0 HB3 LEU A 560 2.992 10.811 -3.973 1.00 1.00 H new ATOM 0 HG LEU A 560 1.220 9.483 -3.112 1.00 1.09 H new ATOM 0 HD11 LEU A 560 1.218 6.978 -3.360 1.00 2.18 H new ATOM 0 HD12 LEU A 560 1.102 7.776 -4.947 1.00 2.18 H new ATOM 0 HD13 LEU A 560 2.654 7.095 -4.404 1.00 2.18 H new ATOM 0 HD21 LEU A 560 2.500 7.917 -1.587 1.00 1.24 H new ATOM 0 HD22 LEU A 560 3.898 8.024 -2.683 1.00 1.24 H new ATOM 0 HD23 LEU A 560 3.364 9.461 -1.780 1.00 1.24 H new ATOM 423 N LYS A 561 -0.259 9.934 -5.568 1.00 0.86 N ATOM 424 CA LYS A 561 -1.663 10.356 -5.588 1.00 0.93 C ATOM 425 C LYS A 561 -2.364 10.137 -4.241 1.00 0.92 C ATOM 426 O LYS A 561 -2.029 9.223 -3.481 1.00 0.87 O ATOM 427 CB LYS A 561 -2.397 9.651 -6.746 1.00 1.09 C ATOM 428 CG LYS A 561 -3.421 10.562 -7.447 1.00 1.17 C ATOM 429 CD LYS A 561 -2.875 11.265 -8.705 1.00 1.54 C ATOM 430 CE LYS A 561 -1.661 12.175 -8.457 1.00 1.69 C ATOM 431 NZ LYS A 561 -1.120 12.692 -9.739 1.00 1.89 N ATOM 0 H LYS A 561 -0.155 8.927 -5.443 1.00 0.86 H new ATOM 0 HA LYS A 561 -1.693 11.432 -5.758 1.00 0.93 H new ATOM 0 HB2 LYS A 561 -1.666 9.305 -7.476 1.00 1.09 H new ATOM 0 HB3 LYS A 561 -2.907 8.767 -6.362 1.00 1.09 H new ATOM 0 HG2 LYS A 561 -4.291 9.967 -7.724 1.00 1.17 H new ATOM 0 HG3 LYS A 561 -3.763 11.318 -6.740 1.00 1.17 H new ATOM 0 HD2 LYS A 561 -2.600 10.506 -9.438 1.00 1.54 H new ATOM 0 HD3 LYS A 561 -3.674 11.860 -9.147 1.00 1.54 H new ATOM 0 HE2 LYS A 561 -1.950 13.008 -7.817 1.00 1.69 H new ATOM 0 HE3 LYS A 561 -0.887 11.620 -7.928 1.00 1.69 H new ATOM 0 HZ1 LYS A 561 -0.301 13.304 -9.549 1.00 1.89 H new ATOM 0 HZ2 LYS A 561 -0.825 11.895 -10.338 1.00 1.89 H new ATOM 0 HZ3 LYS A 561 -1.855 13.240 -10.230 1.00 1.89 H new ATOM 445 N PHE A 562 -3.342 10.994 -3.969 1.00 1.10 N ATOM 446 CA PHE A 562 -4.057 11.125 -2.701 1.00 1.13 C ATOM 447 C PHE A 562 -5.580 10.993 -2.899 1.00 1.01 C ATOM 448 O PHE A 562 -6.122 11.460 -3.903 1.00 1.06 O ATOM 449 CB PHE A 562 -3.630 12.476 -2.107 1.00 1.52 C ATOM 450 CG PHE A 562 -4.577 13.077 -1.097 1.00 1.11 C ATOM 451 CD1 PHE A 562 -4.627 12.568 0.210 1.00 2.22 C ATOM 452 CD2 PHE A 562 -5.409 14.146 -1.474 1.00 2.05 C ATOM 453 CE1 PHE A 562 -5.503 13.143 1.144 1.00 2.84 C ATOM 454 CE2 PHE A 562 -6.281 14.724 -0.537 1.00 1.78 C ATOM 455 CZ PHE A 562 -6.324 14.225 0.775 1.00 1.83 C ATOM 0 H PHE A 562 -3.678 11.656 -4.668 1.00 1.10 H new ATOM 0 HA PHE A 562 -3.805 10.323 -2.007 1.00 1.13 H new ATOM 0 HB2 PHE A 562 -2.655 12.352 -1.635 1.00 1.52 H new ATOM 0 HB3 PHE A 562 -3.501 13.186 -2.924 1.00 1.52 H new ATOM 0 HD1 PHE A 562 -3.996 11.739 0.495 1.00 2.22 H new ATOM 0 HD2 PHE A 562 -5.377 14.523 -2.486 1.00 2.05 H new ATOM 0 HE1 PHE A 562 -5.547 12.753 2.150 1.00 2.84 H new ATOM 0 HE2 PHE A 562 -6.916 15.549 -0.824 1.00 1.78 H new ATOM 0 HZ PHE A 562 -6.987 14.672 1.501 1.00 1.83 H new ATOM 465 N GLU A 563 -6.270 10.344 -1.957 1.00 0.93 N ATOM 466 CA GLU A 563 -7.714 10.056 -2.003 1.00 0.86 C ATOM 467 C GLU A 563 -8.382 10.193 -0.622 1.00 0.85 C ATOM 468 O GLU A 563 -7.766 9.961 0.414 1.00 0.94 O ATOM 469 CB GLU A 563 -7.955 8.632 -2.551 1.00 0.91 C ATOM 470 CG GLU A 563 -7.720 8.541 -4.065 1.00 1.51 C ATOM 471 CD GLU A 563 -7.749 7.108 -4.606 1.00 2.01 C ATOM 472 OE1 GLU A 563 -8.771 6.400 -4.424 1.00 2.41 O ATOM 473 OE2 GLU A 563 -6.759 6.722 -5.281 1.00 3.15 O ATOM 0 H GLU A 563 -5.826 9.990 -1.109 1.00 0.93 H new ATOM 0 HA GLU A 563 -8.166 10.794 -2.666 1.00 0.86 H new ATOM 0 HB2 GLU A 563 -7.293 7.932 -2.041 1.00 0.91 H new ATOM 0 HB3 GLU A 563 -8.977 8.327 -2.326 1.00 0.91 H new ATOM 0 HG2 GLU A 563 -8.481 9.129 -4.578 1.00 1.51 H new ATOM 0 HG3 GLU A 563 -6.756 8.990 -4.302 1.00 1.51 H new ATOM 480 N VAL A 564 -9.673 10.531 -0.588 1.00 0.82 N ATOM 481 CA VAL A 564 -10.482 10.642 0.639 1.00 0.82 C ATOM 482 C VAL A 564 -11.824 9.927 0.495 1.00 0.92 C ATOM 483 O VAL A 564 -12.465 10.017 -0.557 1.00 1.04 O ATOM 484 CB VAL A 564 -10.719 12.114 1.024 1.00 0.84 C ATOM 485 CG1 VAL A 564 -11.317 12.269 2.413 1.00 0.91 C ATOM 486 CG2 VAL A 564 -9.430 12.934 0.969 1.00 0.80 C ATOM 0 H VAL A 564 -10.204 10.742 -1.433 1.00 0.82 H new ATOM 0 HA VAL A 564 -9.914 10.158 1.433 1.00 0.82 H new ATOM 0 HB VAL A 564 -11.429 12.487 0.286 1.00 0.84 H new ATOM 0 HG11 VAL A 564 -11.462 13.327 2.631 1.00 0.91 H new ATOM 0 HG12 VAL A 564 -12.277 11.755 2.455 1.00 0.91 H new ATOM 0 HG13 VAL A 564 -10.641 11.836 3.151 1.00 0.91 H new ATOM 0 HG21 VAL A 564 -9.643 13.966 1.248 1.00 0.80 H new ATOM 0 HG22 VAL A 564 -8.702 12.514 1.662 1.00 0.80 H new ATOM 0 HG23 VAL A 564 -9.025 12.908 -0.043 1.00 0.80 H new ATOM 496 N PHE A 565 -12.273 9.282 1.573 1.00 0.89 N ATOM 497 CA PHE A 565 -13.604 8.668 1.697 1.00 0.94 C ATOM 498 C PHE A 565 -14.255 9.030 3.041 1.00 0.86 C ATOM 499 O PHE A 565 -13.558 9.159 4.045 1.00 0.76 O ATOM 500 CB PHE A 565 -13.509 7.142 1.554 1.00 0.95 C ATOM 501 CG PHE A 565 -12.957 6.623 0.239 1.00 1.02 C ATOM 502 CD1 PHE A 565 -11.563 6.572 0.021 1.00 1.72 C ATOM 503 CD2 PHE A 565 -13.835 6.111 -0.734 1.00 2.15 C ATOM 504 CE1 PHE A 565 -11.057 6.003 -1.162 1.00 1.76 C ATOM 505 CE2 PHE A 565 -13.325 5.527 -1.908 1.00 2.18 C ATOM 506 CZ PHE A 565 -11.936 5.465 -2.117 1.00 1.15 C ATOM 0 H PHE A 565 -11.705 9.167 2.413 1.00 0.89 H new ATOM 0 HA PHE A 565 -14.229 9.060 0.895 1.00 0.94 H new ATOM 0 HB2 PHE A 565 -12.884 6.761 2.362 1.00 0.95 H new ATOM 0 HB3 PHE A 565 -14.505 6.722 1.696 1.00 0.95 H new ATOM 0 HD1 PHE A 565 -10.885 6.970 0.762 1.00 1.72 H new ATOM 0 HD2 PHE A 565 -14.902 6.166 -0.579 1.00 2.15 H new ATOM 0 HE1 PHE A 565 -9.991 5.980 -1.336 1.00 1.76 H new ATOM 0 HE2 PHE A 565 -14.001 5.126 -2.649 1.00 2.18 H new ATOM 0 HZ PHE A 565 -11.545 5.004 -3.012 1.00 1.15 H new ATOM 516 N GLN A 566 -15.579 9.188 3.069 1.00 0.99 N ATOM 517 CA GLN A 566 -16.381 9.559 4.245 1.00 1.00 C ATOM 518 C GLN A 566 -16.830 8.323 5.073 1.00 0.92 C ATOM 519 O GLN A 566 -16.727 7.188 4.597 1.00 0.89 O ATOM 520 CB GLN A 566 -17.579 10.393 3.740 1.00 1.21 C ATOM 521 CG GLN A 566 -17.307 11.892 3.589 1.00 1.89 C ATOM 522 CD GLN A 566 -16.231 12.190 2.568 1.00 1.38 C ATOM 523 OE1 GLN A 566 -16.444 12.162 1.362 1.00 2.10 O ATOM 524 NE2 GLN A 566 -15.021 12.459 2.995 1.00 1.62 N ATOM 0 H GLN A 566 -16.152 9.056 2.236 1.00 0.99 H new ATOM 0 HA GLN A 566 -15.777 10.149 4.935 1.00 1.00 H new ATOM 0 HB2 GLN A 566 -17.896 9.998 2.775 1.00 1.21 H new ATOM 0 HB3 GLN A 566 -18.412 10.258 4.429 1.00 1.21 H new ATOM 0 HG2 GLN A 566 -18.228 12.397 3.298 1.00 1.89 H new ATOM 0 HG3 GLN A 566 -17.010 12.302 4.554 1.00 1.89 H new ATOM 0 HE21 GLN A 566 -14.828 12.486 3.996 1.00 1.62 H new ATOM 0 HE22 GLN A 566 -14.273 12.641 2.326 1.00 1.62 H new ATOM 533 N PRO A 567 -17.333 8.503 6.316 1.00 0.96 N ATOM 534 CA PRO A 567 -17.572 7.392 7.243 1.00 0.96 C ATOM 535 C PRO A 567 -18.563 6.331 6.736 1.00 1.04 C ATOM 536 O PRO A 567 -19.698 6.647 6.366 1.00 1.20 O ATOM 537 CB PRO A 567 -18.075 8.022 8.549 1.00 1.06 C ATOM 538 CG PRO A 567 -17.675 9.494 8.469 1.00 1.07 C ATOM 539 CD PRO A 567 -17.580 9.783 6.977 1.00 1.06 C ATOM 0 HA PRO A 567 -16.640 6.841 7.371 1.00 0.96 H new ATOM 0 HB2 PRO A 567 -19.155 7.913 8.647 1.00 1.06 H new ATOM 0 HB3 PRO A 567 -17.626 7.539 9.417 1.00 1.06 H new ATOM 0 HG2 PRO A 567 -18.415 10.133 8.951 1.00 1.07 H new ATOM 0 HG3 PRO A 567 -16.724 9.675 8.970 1.00 1.07 H new ATOM 0 HD2 PRO A 567 -18.501 10.236 6.611 1.00 1.06 H new ATOM 0 HD3 PRO A 567 -16.774 10.487 6.770 1.00 1.06 H new ATOM 547 N GLY A 568 -18.156 5.060 6.777 1.00 0.99 N ATOM 548 CA GLY A 568 -18.970 3.884 6.463 1.00 1.12 C ATOM 549 C GLY A 568 -18.786 3.380 5.032 1.00 1.07 C ATOM 550 O GLY A 568 -19.261 2.291 4.710 1.00 1.24 O ATOM 0 H GLY A 568 -17.203 4.811 7.043 1.00 0.99 H new ATOM 0 HA2 GLY A 568 -18.719 3.082 7.157 1.00 1.12 H new ATOM 0 HA3 GLY A 568 -20.021 4.126 6.622 1.00 1.12 H new ATOM 554 N ASP A 569 -18.093 4.135 4.175 1.00 0.94 N ATOM 555 CA ASP A 569 -18.061 3.893 2.743 1.00 0.97 C ATOM 556 C ASP A 569 -17.014 2.834 2.356 1.00 0.83 C ATOM 557 O ASP A 569 -15.854 2.905 2.765 1.00 0.74 O ATOM 558 CB ASP A 569 -17.876 5.233 2.004 1.00 1.11 C ATOM 559 CG ASP A 569 -18.319 5.225 0.537 1.00 1.31 C ATOM 560 OD1 ASP A 569 -18.843 4.205 0.029 1.00 2.32 O ATOM 561 OD2 ASP A 569 -18.186 6.277 -0.130 1.00 2.26 O ATOM 0 H ASP A 569 -17.535 4.938 4.466 1.00 0.94 H new ATOM 0 HA ASP A 569 -19.015 3.467 2.431 1.00 0.97 H new ATOM 0 HB2 ASP A 569 -18.436 6.004 2.534 1.00 1.11 H new ATOM 0 HB3 ASP A 569 -16.824 5.515 2.050 1.00 1.11 H new ATOM 566 N TYR A 570 -17.415 1.833 1.574 1.00 0.95 N ATOM 567 CA TYR A 570 -16.520 0.770 1.096 1.00 0.93 C ATOM 568 C TYR A 570 -15.455 1.323 0.136 1.00 0.96 C ATOM 569 O TYR A 570 -15.769 1.746 -0.979 1.00 1.07 O ATOM 570 CB TYR A 570 -17.316 -0.384 0.475 1.00 1.08 C ATOM 571 CG TYR A 570 -17.899 -1.325 1.511 1.00 1.09 C ATOM 572 CD1 TYR A 570 -17.112 -2.373 2.026 1.00 2.06 C ATOM 573 CD2 TYR A 570 -19.213 -1.138 1.978 1.00 2.14 C ATOM 574 CE1 TYR A 570 -17.637 -3.239 3.005 1.00 2.36 C ATOM 575 CE2 TYR A 570 -19.745 -2.005 2.950 1.00 2.09 C ATOM 576 CZ TYR A 570 -18.960 -3.059 3.463 1.00 1.51 C ATOM 577 OH TYR A 570 -19.479 -3.892 4.402 1.00 1.81 O ATOM 0 H TYR A 570 -18.377 1.732 1.250 1.00 0.95 H new ATOM 0 HA TYR A 570 -15.988 0.366 1.957 1.00 0.93 H new ATOM 0 HB2 TYR A 570 -18.124 0.024 -0.133 1.00 1.08 H new ATOM 0 HB3 TYR A 570 -16.666 -0.947 -0.195 1.00 1.08 H new ATOM 0 HD1 TYR A 570 -16.102 -2.513 1.669 1.00 2.06 H new ATOM 0 HD2 TYR A 570 -19.814 -0.329 1.590 1.00 2.14 H new ATOM 0 HE1 TYR A 570 -17.029 -4.038 3.404 1.00 2.36 H new ATOM 0 HE2 TYR A 570 -20.756 -1.863 3.304 1.00 2.09 H new ATOM 0 HH TYR A 570 -20.400 -3.625 4.603 1.00 1.81 H new ATOM 587 N ILE A 571 -14.192 1.309 0.568 1.00 0.94 N ATOM 588 CA ILE A 571 -13.076 1.987 -0.117 1.00 1.03 C ATOM 589 C ILE A 571 -12.530 1.211 -1.327 1.00 1.19 C ATOM 590 O ILE A 571 -11.943 1.809 -2.228 1.00 1.34 O ATOM 591 CB ILE A 571 -11.935 2.289 0.876 1.00 0.92 C ATOM 592 CG1 ILE A 571 -11.425 1.024 1.594 1.00 0.91 C ATOM 593 CG2 ILE A 571 -12.338 3.315 1.942 1.00 0.84 C ATOM 594 CD1 ILE A 571 -9.976 1.190 2.018 1.00 0.96 C ATOM 0 H ILE A 571 -13.906 0.820 1.416 1.00 0.94 H new ATOM 0 HA ILE A 571 -13.486 2.919 -0.507 1.00 1.03 H new ATOM 0 HB ILE A 571 -11.136 2.702 0.261 1.00 0.92 H new ATOM 0 HG12 ILE A 571 -12.044 0.823 2.469 1.00 0.91 H new ATOM 0 HG13 ILE A 571 -11.518 0.163 0.933 1.00 0.91 H new ATOM 0 HG21 ILE A 571 -11.498 3.490 2.614 1.00 0.84 H new ATOM 0 HG22 ILE A 571 -12.617 4.251 1.459 1.00 0.84 H new ATOM 0 HG23 ILE A 571 -13.185 2.934 2.512 1.00 0.84 H new ATOM 0 HD11 ILE A 571 -9.639 0.285 2.522 1.00 0.96 H new ATOM 0 HD12 ILE A 571 -9.357 1.367 1.138 1.00 0.96 H new ATOM 0 HD13 ILE A 571 -9.891 2.038 2.698 1.00 0.96 H new ATOM 606 N ILE A 572 -12.687 -0.118 -1.333 1.00 1.19 N ATOM 607 CA ILE A 572 -12.091 -1.046 -2.302 1.00 1.37 C ATOM 608 C ILE A 572 -13.150 -1.987 -2.890 1.00 1.54 C ATOM 609 O ILE A 572 -14.022 -2.475 -2.164 1.00 1.73 O ATOM 610 CB ILE A 572 -10.929 -1.822 -1.629 1.00 1.45 C ATOM 611 CG1 ILE A 572 -9.750 -0.847 -1.422 1.00 1.83 C ATOM 612 CG2 ILE A 572 -10.462 -3.037 -2.452 1.00 1.61 C ATOM 613 CD1 ILE A 572 -8.553 -1.394 -0.639 1.00 1.46 C ATOM 0 H ILE A 572 -13.256 -0.596 -0.634 1.00 1.19 H new ATOM 0 HA ILE A 572 -11.682 -0.479 -3.138 1.00 1.37 H new ATOM 0 HB ILE A 572 -11.291 -2.213 -0.678 1.00 1.45 H new ATOM 0 HG12 ILE A 572 -9.399 -0.520 -2.401 1.00 1.83 H new ATOM 0 HG13 ILE A 572 -10.123 0.037 -0.905 1.00 1.83 H new ATOM 0 HG21 ILE A 572 -9.648 -3.539 -1.930 1.00 1.61 H new ATOM 0 HG22 ILE A 572 -11.293 -3.731 -2.580 1.00 1.61 H new ATOM 0 HG23 ILE A 572 -10.114 -2.702 -3.429 1.00 1.61 H new ATOM 0 HD11 ILE A 572 -7.788 -0.622 -0.557 1.00 1.46 H new ATOM 0 HD12 ILE A 572 -8.876 -1.692 0.358 1.00 1.46 H new ATOM 0 HD13 ILE A 572 -8.141 -2.258 -1.160 1.00 1.46 H new ATOM 625 N ARG A 573 -13.000 -2.309 -4.183 1.00 1.75 N ATOM 626 CA ARG A 573 -13.691 -3.404 -4.882 1.00 2.05 C ATOM 627 C ARG A 573 -12.661 -4.295 -5.578 1.00 1.72 C ATOM 628 O ARG A 573 -12.126 -3.951 -6.634 1.00 2.05 O ATOM 629 CB ARG A 573 -14.747 -2.805 -5.835 1.00 2.73 C ATOM 630 CG ARG A 573 -15.685 -3.805 -6.542 1.00 3.69 C ATOM 631 CD ARG A 573 -15.017 -4.615 -7.664 1.00 4.38 C ATOM 632 NE ARG A 573 -15.998 -5.266 -8.552 1.00 5.70 N ATOM 633 CZ ARG A 573 -15.836 -6.382 -9.241 1.00 6.92 C ATOM 634 NH1 ARG A 573 -14.718 -7.042 -9.297 1.00 7.35 N ATOM 635 NH2 ARG A 573 -16.807 -6.887 -9.936 1.00 8.17 N ATOM 0 H ARG A 573 -12.368 -1.793 -4.796 1.00 1.75 H new ATOM 0 HA ARG A 573 -14.227 -4.046 -4.184 1.00 2.05 H new ATOM 0 HB2 ARG A 573 -15.360 -2.105 -5.267 1.00 2.73 H new ATOM 0 HB3 ARG A 573 -14.228 -2.226 -6.599 1.00 2.73 H new ATOM 0 HG2 ARG A 573 -16.086 -4.496 -5.800 1.00 3.69 H new ATOM 0 HG3 ARG A 573 -16.531 -3.259 -6.959 1.00 3.69 H new ATOM 0 HD2 ARG A 573 -14.380 -3.956 -8.253 1.00 4.38 H new ATOM 0 HD3 ARG A 573 -14.370 -5.374 -7.224 1.00 4.38 H new ATOM 0 HE ARG A 573 -16.902 -4.803 -8.645 1.00 5.70 H new ATOM 0 HH11 ARG A 573 -13.900 -6.704 -8.790 1.00 7.35 H new ATOM 0 HH12 ARG A 573 -14.658 -7.898 -9.848 1.00 7.35 H new ATOM 0 HH21 ARG A 573 -17.715 -6.422 -9.957 1.00 8.17 H new ATOM 0 HH22 ARG A 573 -16.663 -7.749 -10.462 1.00 8.17 H new ATOM 649 N GLU A 574 -12.367 -5.445 -4.983 1.00 1.89 N ATOM 650 CA GLU A 574 -11.451 -6.450 -5.539 1.00 1.79 C ATOM 651 C GLU A 574 -12.168 -7.524 -6.388 1.00 2.49 C ATOM 652 O GLU A 574 -13.366 -7.793 -6.233 1.00 3.59 O ATOM 653 CB GLU A 574 -10.564 -6.998 -4.405 1.00 2.99 C ATOM 654 CG GLU A 574 -9.469 -7.994 -4.817 1.00 3.16 C ATOM 655 CD GLU A 574 -8.455 -7.436 -5.829 1.00 3.77 C ATOM 656 OE1 GLU A 574 -8.811 -7.272 -7.019 1.00 4.03 O ATOM 657 OE2 GLU A 574 -7.294 -7.179 -5.441 1.00 4.89 O ATOM 0 H GLU A 574 -12.763 -5.716 -4.083 1.00 1.89 H new ATOM 0 HA GLU A 574 -10.792 -5.978 -6.267 1.00 1.79 H new ATOM 0 HB2 GLU A 574 -10.088 -6.154 -3.905 1.00 2.99 H new ATOM 0 HB3 GLU A 574 -11.208 -7.482 -3.671 1.00 2.99 H new ATOM 0 HG2 GLU A 574 -8.934 -8.317 -3.924 1.00 3.16 H new ATOM 0 HG3 GLU A 574 -9.941 -8.879 -5.244 1.00 3.16 H new ATOM 664 N GLY A 575 -11.412 -8.127 -7.304 1.00 2.35 N ATOM 665 CA GLY A 575 -11.809 -9.146 -8.276 1.00 3.42 C ATOM 666 C GLY A 575 -11.037 -9.057 -9.602 1.00 3.18 C ATOM 667 O GLY A 575 -11.516 -9.581 -10.609 1.00 4.03 O ATOM 0 H GLY A 575 -10.422 -7.896 -7.393 1.00 2.35 H new ATOM 0 HA2 GLY A 575 -11.655 -10.133 -7.840 1.00 3.42 H new ATOM 0 HA3 GLY A 575 -12.876 -9.049 -8.478 1.00 3.42 H new ATOM 671 N THR A 576 -9.894 -8.356 -9.651 1.00 2.23 N ATOM 672 CA THR A 576 -9.243 -7.920 -10.905 1.00 2.32 C ATOM 673 C THR A 576 -7.721 -8.125 -10.909 1.00 1.95 C ATOM 674 O THR A 576 -7.127 -8.532 -9.906 1.00 1.92 O ATOM 675 CB THR A 576 -9.651 -6.464 -11.212 1.00 2.92 C ATOM 676 OG1 THR A 576 -9.236 -6.023 -12.485 1.00 3.24 O ATOM 677 CG2 THR A 576 -9.111 -5.455 -10.203 1.00 3.15 C ATOM 0 H THR A 576 -9.387 -8.071 -8.814 1.00 2.23 H new ATOM 0 HA THR A 576 -9.600 -8.562 -11.710 1.00 2.32 H new ATOM 0 HB THR A 576 -10.739 -6.500 -11.161 1.00 2.92 H new ATOM 0 HG1 THR A 576 -9.525 -5.096 -12.620 1.00 3.24 H new ATOM 0 HG21 THR A 576 -9.437 -4.453 -10.481 1.00 3.15 H new ATOM 0 HG22 THR A 576 -9.488 -5.697 -9.209 1.00 3.15 H new ATOM 0 HG23 THR A 576 -8.022 -5.494 -10.197 1.00 3.15 H new ATOM 685 N ILE A 577 -7.088 -7.912 -12.068 1.00 2.23 N ATOM 686 CA ILE A 577 -5.650 -8.062 -12.307 1.00 2.24 C ATOM 687 C ILE A 577 -4.953 -6.694 -12.474 1.00 2.29 C ATOM 688 O ILE A 577 -5.347 -5.858 -13.301 1.00 2.55 O ATOM 689 CB ILE A 577 -5.408 -8.981 -13.528 1.00 2.65 C ATOM 690 CG1 ILE A 577 -5.961 -10.414 -13.338 1.00 2.84 C ATOM 691 CG2 ILE A 577 -3.897 -9.100 -13.818 1.00 2.77 C ATOM 692 CD1 ILE A 577 -7.470 -10.622 -13.524 1.00 3.22 C ATOM 0 H ILE A 577 -7.590 -7.616 -12.905 1.00 2.23 H new ATOM 0 HA ILE A 577 -5.204 -8.532 -11.431 1.00 2.24 H new ATOM 0 HB ILE A 577 -5.940 -8.513 -14.356 1.00 2.65 H new ATOM 0 HG12 ILE A 577 -5.442 -11.070 -14.037 1.00 2.84 H new ATOM 0 HG13 ILE A 577 -5.697 -10.746 -12.334 1.00 2.84 H new ATOM 0 HG21 ILE A 577 -3.742 -9.750 -14.679 1.00 2.77 H new ATOM 0 HG22 ILE A 577 -3.488 -8.112 -14.030 1.00 2.77 H new ATOM 0 HG23 ILE A 577 -3.392 -9.523 -12.949 1.00 2.77 H new ATOM 0 HD11 ILE A 577 -7.715 -11.671 -13.361 1.00 3.22 H new ATOM 0 HD12 ILE A 577 -8.013 -10.007 -12.807 1.00 3.22 H new ATOM 0 HD13 ILE A 577 -7.755 -10.336 -14.537 1.00 3.22 H new ATOM 704 N GLY A 578 -3.858 -6.499 -11.732 1.00 2.17 N ATOM 705 CA GLY A 578 -2.975 -5.331 -11.792 1.00 2.26 C ATOM 706 C GLY A 578 -3.378 -4.185 -10.858 1.00 1.99 C ATOM 707 O GLY A 578 -3.131 -3.020 -11.188 1.00 2.13 O ATOM 0 H GLY A 578 -3.549 -7.183 -11.041 1.00 2.17 H new ATOM 0 HA2 GLY A 578 -1.960 -5.645 -11.546 1.00 2.26 H new ATOM 0 HA3 GLY A 578 -2.954 -4.959 -12.816 1.00 2.26 H new ATOM 711 N LYS A 579 -4.036 -4.498 -9.732 1.00 1.79 N ATOM 712 CA LYS A 579 -4.528 -3.513 -8.754 1.00 1.65 C ATOM 713 C LYS A 579 -3.372 -2.780 -8.046 1.00 1.43 C ATOM 714 O LYS A 579 -2.320 -3.372 -7.796 1.00 1.49 O ATOM 715 CB LYS A 579 -5.525 -4.174 -7.796 1.00 1.72 C ATOM 716 CG LYS A 579 -6.247 -3.116 -6.940 1.00 2.63 C ATOM 717 CD LYS A 579 -7.542 -3.656 -6.337 1.00 2.81 C ATOM 718 CE LYS A 579 -8.735 -3.668 -7.305 1.00 3.53 C ATOM 719 NZ LYS A 579 -9.375 -2.338 -7.443 1.00 4.23 N ATOM 0 H LYS A 579 -4.246 -5.461 -9.469 1.00 1.79 H new ATOM 0 HA LYS A 579 -5.072 -2.729 -9.281 1.00 1.65 H new ATOM 0 HB2 LYS A 579 -6.256 -4.748 -8.365 1.00 1.72 H new ATOM 0 HB3 LYS A 579 -5.002 -4.877 -7.148 1.00 1.72 H new ATOM 0 HG2 LYS A 579 -5.585 -2.784 -6.140 1.00 2.63 H new ATOM 0 HG3 LYS A 579 -6.469 -2.243 -7.554 1.00 2.63 H new ATOM 0 HD2 LYS A 579 -7.367 -4.672 -5.982 1.00 2.81 H new ATOM 0 HD3 LYS A 579 -7.802 -3.054 -5.466 1.00 2.81 H new ATOM 0 HE2 LYS A 579 -8.399 -4.008 -8.285 1.00 3.53 H new ATOM 0 HE3 LYS A 579 -9.475 -4.388 -6.954 1.00 3.53 H new ATOM 0 HZ1 LYS A 579 -10.173 -2.404 -8.107 1.00 4.23 H new ATOM 0 HZ2 LYS A 579 -9.722 -2.022 -6.515 1.00 4.23 H new ATOM 0 HZ3 LYS A 579 -8.680 -1.654 -7.804 1.00 4.23 H new ATOM 733 N LYS A 580 -3.585 -1.506 -7.699 1.00 1.34 N ATOM 734 CA LYS A 580 -2.604 -0.639 -7.019 1.00 1.23 C ATOM 735 C LYS A 580 -2.611 -0.845 -5.496 1.00 1.11 C ATOM 736 O LYS A 580 -3.475 -1.528 -4.948 1.00 1.20 O ATOM 737 CB LYS A 580 -2.916 0.832 -7.350 1.00 1.39 C ATOM 738 CG LYS A 580 -2.653 1.216 -8.815 1.00 1.73 C ATOM 739 CD LYS A 580 -2.833 2.731 -9.001 1.00 2.49 C ATOM 740 CE LYS A 580 -4.315 3.147 -9.025 1.00 3.07 C ATOM 741 NZ LYS A 580 -4.839 3.288 -10.403 1.00 3.43 N ATOM 0 H LYS A 580 -4.468 -1.032 -7.887 1.00 1.34 H new ATOM 0 HA LYS A 580 -1.610 -0.905 -7.378 1.00 1.23 H new ATOM 0 HB2 LYS A 580 -3.962 1.032 -7.115 1.00 1.39 H new ATOM 0 HB3 LYS A 580 -2.316 1.473 -6.704 1.00 1.39 H new ATOM 0 HG2 LYS A 580 -1.643 0.924 -9.101 1.00 1.73 H new ATOM 0 HG3 LYS A 580 -3.338 0.677 -9.470 1.00 1.73 H new ATOM 0 HD2 LYS A 580 -2.324 3.257 -8.193 1.00 2.49 H new ATOM 0 HD3 LYS A 580 -2.357 3.039 -9.932 1.00 2.49 H new ATOM 0 HE2 LYS A 580 -4.907 2.405 -8.488 1.00 3.07 H new ATOM 0 HE3 LYS A 580 -4.433 4.093 -8.496 1.00 3.07 H new ATOM 0 HZ1 LYS A 580 -5.840 3.569 -10.367 1.00 3.43 H new ATOM 0 HZ2 LYS A 580 -4.293 4.014 -10.909 1.00 3.43 H new ATOM 0 HZ3 LYS A 580 -4.752 2.380 -10.902 1.00 3.43 H new ATOM 755 N MET A 581 -1.640 -0.238 -4.813 1.00 1.02 N ATOM 756 CA MET A 581 -1.514 -0.281 -3.351 1.00 0.99 C ATOM 757 C MET A 581 -2.295 0.872 -2.709 1.00 0.95 C ATOM 758 O MET A 581 -2.163 2.007 -3.169 1.00 0.91 O ATOM 759 CB MET A 581 -0.025 -0.229 -2.964 1.00 1.14 C ATOM 760 CG MET A 581 0.196 -0.331 -1.451 1.00 1.47 C ATOM 761 SD MET A 581 -0.456 -1.858 -0.732 1.00 2.55 S ATOM 762 CE MET A 581 -0.513 -1.395 1.017 1.00 2.19 C ATOM 0 H MET A 581 -0.906 0.307 -5.265 1.00 1.02 H new ATOM 0 HA MET A 581 -1.940 -1.213 -2.978 1.00 0.99 H new ATOM 0 HB2 MET A 581 0.504 -1.043 -3.460 1.00 1.14 H new ATOM 0 HB3 MET A 581 0.409 0.702 -3.329 1.00 1.14 H new ATOM 0 HG2 MET A 581 1.264 -0.267 -1.242 1.00 1.47 H new ATOM 0 HG3 MET A 581 -0.276 0.522 -0.964 1.00 1.47 H new ATOM 0 HE1 MET A 581 -1.173 -2.077 1.553 1.00 2.19 H new ATOM 0 HE2 MET A 581 0.489 -1.452 1.441 1.00 2.19 H new ATOM 0 HE3 MET A 581 -0.890 -0.377 1.112 1.00 2.19 H new ATOM 772 N TYR A 582 -3.052 0.602 -1.636 1.00 1.01 N ATOM 773 CA TYR A 582 -3.810 1.620 -0.894 1.00 1.03 C ATOM 774 C TYR A 582 -3.513 1.563 0.607 1.00 1.12 C ATOM 775 O TYR A 582 -3.496 0.505 1.244 1.00 1.29 O ATOM 776 CB TYR A 582 -5.321 1.539 -1.164 1.00 1.06 C ATOM 777 CG TYR A 582 -5.706 1.717 -2.620 1.00 1.24 C ATOM 778 CD1 TYR A 582 -5.599 0.645 -3.531 1.00 1.96 C ATOM 779 CD2 TYR A 582 -6.143 2.976 -3.072 1.00 2.47 C ATOM 780 CE1 TYR A 582 -5.873 0.848 -4.896 1.00 2.24 C ATOM 781 CE2 TYR A 582 -6.422 3.180 -4.434 1.00 2.84 C ATOM 782 CZ TYR A 582 -6.265 2.123 -5.354 1.00 2.17 C ATOM 783 OH TYR A 582 -6.453 2.342 -6.682 1.00 2.77 O ATOM 0 H TYR A 582 -3.156 -0.338 -1.255 1.00 1.01 H new ATOM 0 HA TYR A 582 -3.472 2.588 -1.265 1.00 1.03 H new ATOM 0 HB2 TYR A 582 -5.688 0.573 -0.819 1.00 1.06 H new ATOM 0 HB3 TYR A 582 -5.825 2.302 -0.571 1.00 1.06 H new ATOM 0 HD1 TYR A 582 -5.306 -0.333 -3.180 1.00 1.96 H new ATOM 0 HD2 TYR A 582 -6.264 3.788 -2.370 1.00 2.47 H new ATOM 0 HE1 TYR A 582 -5.783 0.028 -5.593 1.00 2.24 H new ATOM 0 HE2 TYR A 582 -6.757 4.148 -4.777 1.00 2.84 H new ATOM 0 HH TYR A 582 -6.722 3.273 -6.825 1.00 2.77 H new ATOM 793 N PHE A 583 -3.249 2.730 1.186 1.00 1.00 N ATOM 794 CA PHE A 583 -2.763 2.835 2.558 1.00 0.95 C ATOM 795 C PHE A 583 -3.093 4.191 3.201 1.00 0.80 C ATOM 796 O PHE A 583 -3.569 5.104 2.528 1.00 0.83 O ATOM 797 CB PHE A 583 -1.297 2.344 2.612 1.00 1.07 C ATOM 798 CG PHE A 583 -0.255 2.659 1.547 1.00 1.54 C ATOM 799 CD1 PHE A 583 -0.409 3.657 0.567 1.00 2.53 C ATOM 800 CD2 PHE A 583 0.909 1.862 1.535 1.00 2.58 C ATOM 801 CE1 PHE A 583 0.549 3.793 -0.455 1.00 3.16 C ATOM 802 CE2 PHE A 583 1.896 2.041 0.554 1.00 3.31 C ATOM 803 CZ PHE A 583 1.712 3.001 -0.450 1.00 3.19 C ATOM 0 H PHE A 583 -3.366 3.629 0.718 1.00 1.00 H new ATOM 0 HA PHE A 583 -3.308 2.163 3.221 1.00 0.95 H new ATOM 0 HB2 PHE A 583 -0.888 2.708 3.555 1.00 1.07 H new ATOM 0 HB3 PHE A 583 -1.342 1.257 2.682 1.00 1.07 H new ATOM 0 HD1 PHE A 583 -1.262 4.318 0.599 1.00 2.53 H new ATOM 0 HD2 PHE A 583 1.042 1.103 2.292 1.00 2.58 H new ATOM 0 HE1 PHE A 583 0.391 4.509 -1.248 1.00 3.16 H new ATOM 0 HE2 PHE A 583 2.794 1.441 0.573 1.00 3.31 H new ATOM 0 HZ PHE A 583 2.460 3.133 -1.217 1.00 3.19 H new ATOM 813 N ILE A 584 -2.997 4.290 4.532 1.00 0.75 N ATOM 814 CA ILE A 584 -3.745 5.287 5.324 1.00 0.74 C ATOM 815 C ILE A 584 -2.866 6.491 5.698 1.00 0.82 C ATOM 816 O ILE A 584 -2.057 6.393 6.621 1.00 0.88 O ATOM 817 CB ILE A 584 -4.405 4.621 6.568 1.00 0.74 C ATOM 818 CG1 ILE A 584 -5.115 3.303 6.185 1.00 0.72 C ATOM 819 CG2 ILE A 584 -5.419 5.602 7.209 1.00 0.74 C ATOM 820 CD1 ILE A 584 -5.826 2.628 7.354 1.00 0.78 C ATOM 0 H ILE A 584 -2.400 3.684 5.095 1.00 0.75 H new ATOM 0 HA ILE A 584 -4.550 5.679 4.702 1.00 0.74 H new ATOM 0 HB ILE A 584 -3.621 4.385 7.287 1.00 0.74 H new ATOM 0 HG12 ILE A 584 -5.841 3.507 5.398 1.00 0.72 H new ATOM 0 HG13 ILE A 584 -4.381 2.612 5.770 1.00 0.72 H new ATOM 0 HG21 ILE A 584 -5.879 5.133 8.079 1.00 0.74 H new ATOM 0 HG22 ILE A 584 -4.901 6.510 7.518 1.00 0.74 H new ATOM 0 HG23 ILE A 584 -6.191 5.854 6.482 1.00 0.74 H new ATOM 0 HD11 ILE A 584 -6.301 1.709 7.010 1.00 0.78 H new ATOM 0 HD12 ILE A 584 -5.101 2.392 8.133 1.00 0.78 H new ATOM 0 HD13 ILE A 584 -6.584 3.300 7.756 1.00 0.78 H new ATOM 832 N GLN A 585 -3.043 7.642 5.032 1.00 0.87 N ATOM 833 CA GLN A 585 -2.380 8.902 5.403 1.00 0.98 C ATOM 834 C GLN A 585 -2.853 9.389 6.786 1.00 0.88 C ATOM 835 O GLN A 585 -2.024 9.686 7.649 1.00 0.97 O ATOM 836 CB GLN A 585 -2.619 9.934 4.276 1.00 1.15 C ATOM 837 CG GLN A 585 -1.867 11.270 4.405 1.00 1.51 C ATOM 838 CD GLN A 585 -2.631 12.350 5.173 1.00 1.94 C ATOM 839 OE1 GLN A 585 -3.589 12.947 4.694 1.00 3.19 O ATOM 840 NE2 GLN A 585 -2.254 12.644 6.394 1.00 1.89 N ATOM 0 H GLN A 585 -3.652 7.726 4.218 1.00 0.87 H new ATOM 0 HA GLN A 585 -1.305 8.752 5.501 1.00 0.98 H new ATOM 0 HB2 GLN A 585 -2.341 9.475 3.327 1.00 1.15 H new ATOM 0 HB3 GLN A 585 -3.687 10.146 4.227 1.00 1.15 H new ATOM 0 HG2 GLN A 585 -0.915 11.091 4.904 1.00 1.51 H new ATOM 0 HG3 GLN A 585 -1.639 11.643 3.407 1.00 1.51 H new ATOM 0 HE21 GLN A 585 -1.460 12.160 6.813 1.00 1.89 H new ATOM 0 HE22 GLN A 585 -2.755 13.356 6.925 1.00 1.89 H new ATOM 849 N HIS A 586 -4.174 9.404 7.016 1.00 0.75 N ATOM 850 CA HIS A 586 -4.802 9.753 8.297 1.00 0.74 C ATOM 851 C HIS A 586 -6.216 9.154 8.433 1.00 0.68 C ATOM 852 O HIS A 586 -7.002 9.200 7.489 1.00 0.75 O ATOM 853 CB HIS A 586 -4.877 11.284 8.416 1.00 0.83 C ATOM 854 CG HIS A 586 -5.379 11.774 9.748 1.00 1.22 C ATOM 855 ND1 HIS A 586 -4.610 12.139 10.829 1.00 2.02 N ATOM 856 CD2 HIS A 586 -6.688 11.965 10.099 1.00 2.42 C ATOM 857 CE1 HIS A 586 -5.434 12.531 11.813 1.00 2.22 C ATOM 858 NE2 HIS A 586 -6.719 12.436 11.417 1.00 2.56 N ATOM 0 H HIS A 586 -4.854 9.167 6.294 1.00 0.75 H new ATOM 0 HA HIS A 586 -4.192 9.334 9.097 1.00 0.74 H new ATOM 0 HB2 HIS A 586 -3.885 11.700 8.238 1.00 0.83 H new ATOM 0 HB3 HIS A 586 -5.529 11.667 7.631 1.00 0.83 H new ATOM 0 HD2 HIS A 586 -7.547 11.784 9.469 1.00 2.42 H new ATOM 0 HE1 HIS A 586 -5.113 12.874 12.785 1.00 2.22 H new ATOM 0 HE2 HIS A 586 -7.548 12.662 11.967 1.00 2.56 H new ATOM 866 N GLY A 587 -6.589 8.642 9.610 1.00 0.77 N ATOM 867 CA GLY A 587 -7.971 8.317 9.961 1.00 0.85 C ATOM 868 C GLY A 587 -8.053 6.933 10.585 1.00 0.80 C ATOM 869 O GLY A 587 -7.114 6.495 11.258 1.00 0.98 O ATOM 0 H GLY A 587 -5.925 8.439 10.358 1.00 0.77 H new ATOM 0 HA2 GLY A 587 -8.359 9.060 10.658 1.00 0.85 H new ATOM 0 HA3 GLY A 587 -8.598 8.358 9.070 1.00 0.85 H new ATOM 873 N VAL A 588 -9.171 6.251 10.342 1.00 0.65 N ATOM 874 CA VAL A 588 -9.414 4.864 10.741 1.00 0.63 C ATOM 875 C VAL A 588 -10.233 4.162 9.635 1.00 0.64 C ATOM 876 O VAL A 588 -11.056 4.790 8.961 1.00 0.66 O ATOM 877 CB VAL A 588 -10.130 4.790 12.119 1.00 0.67 C ATOM 878 CG1 VAL A 588 -10.303 3.358 12.643 1.00 0.72 C ATOM 879 CG2 VAL A 588 -9.400 5.556 13.232 1.00 0.75 C ATOM 0 H VAL A 588 -9.961 6.663 9.845 1.00 0.65 H new ATOM 0 HA VAL A 588 -8.461 4.349 10.859 1.00 0.63 H new ATOM 0 HB VAL A 588 -11.098 5.245 11.908 1.00 0.67 H new ATOM 0 HG11 VAL A 588 -10.810 3.382 13.608 1.00 0.72 H new ATOM 0 HG12 VAL A 588 -10.898 2.781 11.935 1.00 0.72 H new ATOM 0 HG13 VAL A 588 -9.324 2.892 12.759 1.00 0.72 H new ATOM 0 HG21 VAL A 588 -9.956 5.461 14.165 1.00 0.75 H new ATOM 0 HG22 VAL A 588 -8.400 5.143 13.362 1.00 0.75 H new ATOM 0 HG23 VAL A 588 -9.325 6.609 12.960 1.00 0.75 H new ATOM 889 N VAL A 589 -10.039 2.858 9.444 1.00 0.68 N ATOM 890 CA VAL A 589 -10.868 1.976 8.594 1.00 0.67 C ATOM 891 C VAL A 589 -11.442 0.821 9.410 1.00 0.69 C ATOM 892 O VAL A 589 -10.832 0.404 10.389 1.00 0.72 O ATOM 893 CB VAL A 589 -10.106 1.434 7.370 1.00 0.64 C ATOM 894 CG1 VAL A 589 -9.754 2.561 6.393 1.00 0.67 C ATOM 895 CG2 VAL A 589 -8.851 0.654 7.776 1.00 0.65 C ATOM 0 H VAL A 589 -9.271 2.358 9.891 1.00 0.68 H new ATOM 0 HA VAL A 589 -11.684 2.592 8.216 1.00 0.67 H new ATOM 0 HB VAL A 589 -10.773 0.738 6.862 1.00 0.64 H new ATOM 0 HG11 VAL A 589 -9.217 2.148 5.539 1.00 0.67 H new ATOM 0 HG12 VAL A 589 -10.669 3.042 6.048 1.00 0.67 H new ATOM 0 HG13 VAL A 589 -9.125 3.296 6.896 1.00 0.67 H new ATOM 0 HG21 VAL A 589 -8.344 0.290 6.882 1.00 0.65 H new ATOM 0 HG22 VAL A 589 -8.180 1.308 8.333 1.00 0.65 H new ATOM 0 HG23 VAL A 589 -9.135 -0.192 8.402 1.00 0.65 H new ATOM 905 N SER A 590 -12.570 0.261 8.977 1.00 0.74 N ATOM 906 CA SER A 590 -13.165 -0.979 9.496 1.00 0.86 C ATOM 907 C SER A 590 -13.037 -2.020 8.393 1.00 0.95 C ATOM 908 O SER A 590 -13.394 -1.819 7.236 1.00 0.95 O ATOM 909 CB SER A 590 -14.653 -0.847 9.873 1.00 1.03 C ATOM 910 OG SER A 590 -15.050 0.478 10.210 1.00 1.69 O ATOM 0 H SER A 590 -13.121 0.673 8.224 1.00 0.74 H new ATOM 0 HA SER A 590 -12.640 -1.249 10.412 1.00 0.86 H new ATOM 0 HB2 SER A 590 -15.261 -1.196 9.038 1.00 1.03 H new ATOM 0 HB3 SER A 590 -14.863 -1.504 10.717 1.00 1.03 H new ATOM 0 HG SER A 590 -14.685 0.716 11.088 1.00 1.69 H new ATOM 916 N VAL A 591 -12.397 -3.110 8.741 1.00 1.09 N ATOM 917 CA VAL A 591 -11.497 -3.835 7.867 1.00 1.15 C ATOM 918 C VAL A 591 -11.703 -5.310 8.150 1.00 1.27 C ATOM 919 O VAL A 591 -12.038 -5.688 9.279 1.00 1.24 O ATOM 920 CB VAL A 591 -10.070 -3.347 8.191 1.00 1.60 C ATOM 921 CG1 VAL A 591 -9.810 -3.292 9.682 1.00 2.79 C ATOM 922 CG2 VAL A 591 -8.960 -4.274 7.810 1.00 1.13 C ATOM 0 H VAL A 591 -12.488 -3.532 9.665 1.00 1.09 H new ATOM 0 HA VAL A 591 -11.676 -3.669 6.805 1.00 1.15 H new ATOM 0 HB VAL A 591 -10.058 -2.403 7.646 1.00 1.60 H new ATOM 0 HG11 VAL A 591 -8.793 -2.943 9.861 1.00 2.79 H new ATOM 0 HG12 VAL A 591 -10.517 -2.606 10.150 1.00 2.79 H new ATOM 0 HG13 VAL A 591 -9.933 -4.287 10.110 1.00 2.79 H new ATOM 0 HG21 VAL A 591 -8.004 -3.829 8.084 1.00 1.13 H new ATOM 0 HG22 VAL A 591 -9.082 -5.222 8.333 1.00 1.13 H new ATOM 0 HG23 VAL A 591 -8.984 -4.448 6.734 1.00 1.13 H new ATOM 932 N LEU A 592 -11.465 -6.144 7.151 1.00 1.57 N ATOM 933 CA LEU A 592 -11.230 -7.555 7.380 1.00 2.13 C ATOM 934 C LEU A 592 -9.859 -7.874 6.784 1.00 2.55 C ATOM 935 O LEU A 592 -9.624 -7.542 5.619 1.00 2.44 O ATOM 936 CB LEU A 592 -12.318 -8.410 6.691 1.00 2.37 C ATOM 937 CG LEU A 592 -13.825 -8.177 6.942 1.00 2.36 C ATOM 938 CD1 LEU A 592 -14.198 -8.367 8.400 1.00 2.37 C ATOM 939 CD2 LEU A 592 -14.418 -6.841 6.484 1.00 2.19 C ATOM 0 H LEU A 592 -11.430 -5.864 6.171 1.00 1.57 H new ATOM 0 HA LEU A 592 -11.263 -7.783 8.445 1.00 2.13 H new ATOM 0 HB2 LEU A 592 -12.160 -8.313 5.617 1.00 2.37 H new ATOM 0 HB3 LEU A 592 -12.113 -9.448 6.951 1.00 2.37 H new ATOM 0 HG LEU A 592 -14.264 -8.942 6.301 1.00 2.36 H new ATOM 0 HD11 LEU A 592 -15.266 -8.193 8.528 1.00 2.37 H new ATOM 0 HD12 LEU A 592 -13.957 -9.384 8.708 1.00 2.37 H new ATOM 0 HD13 LEU A 592 -13.639 -7.660 9.014 1.00 2.37 H new ATOM 0 HD21 LEU A 592 -15.481 -6.814 6.723 1.00 2.19 H new ATOM 0 HD22 LEU A 592 -13.910 -6.023 6.996 1.00 2.19 H new ATOM 0 HD23 LEU A 592 -14.285 -6.734 5.407 1.00 2.19 H new ATOM 951 N THR A 593 -8.947 -8.505 7.524 1.00 3.17 N ATOM 952 CA THR A 593 -7.721 -9.028 6.885 1.00 3.77 C ATOM 953 C THR A 593 -7.939 -10.416 6.289 1.00 4.25 C ATOM 954 O THR A 593 -8.566 -11.287 6.903 1.00 4.34 O ATOM 955 CB THR A 593 -6.487 -8.961 7.796 1.00 4.01 C ATOM 956 OG1 THR A 593 -6.837 -9.073 9.152 1.00 3.75 O ATOM 957 CG2 THR A 593 -5.807 -7.604 7.613 1.00 3.96 C ATOM 0 H THR A 593 -9.019 -8.667 8.529 1.00 3.17 H new ATOM 0 HA THR A 593 -7.501 -8.358 6.054 1.00 3.77 H new ATOM 0 HB THR A 593 -5.830 -9.787 7.524 1.00 4.01 H new ATOM 0 HG1 THR A 593 -6.028 -9.028 9.703 1.00 3.75 H new ATOM 0 HG21 THR A 593 -4.929 -7.547 8.256 1.00 3.96 H new ATOM 0 HG22 THR A 593 -5.503 -7.487 6.573 1.00 3.96 H new ATOM 0 HG23 THR A 593 -6.504 -6.809 7.879 1.00 3.96 H new ATOM 965 N LYS A 594 -7.426 -10.644 5.071 1.00 4.65 N ATOM 966 CA LYS A 594 -7.418 -11.979 4.453 1.00 5.27 C ATOM 967 C LYS A 594 -6.589 -12.952 5.300 1.00 6.15 C ATOM 968 O LYS A 594 -5.643 -12.547 5.978 1.00 7.19 O ATOM 969 CB LYS A 594 -7.029 -11.951 2.961 1.00 5.41 C ATOM 970 CG LYS A 594 -5.607 -11.472 2.631 1.00 6.05 C ATOM 971 CD LYS A 594 -5.510 -9.959 2.397 1.00 5.83 C ATOM 972 CE LYS A 594 -4.074 -9.569 2.037 1.00 6.73 C ATOM 973 NZ LYS A 594 -4.029 -8.234 1.400 1.00 8.12 N ATOM 0 H LYS A 594 -7.009 -9.916 4.491 1.00 4.65 H new ATOM 0 HA LYS A 594 -8.440 -12.357 4.447 1.00 5.27 H new ATOM 0 HB2 LYS A 594 -7.152 -12.956 2.558 1.00 5.41 H new ATOM 0 HB3 LYS A 594 -7.736 -11.308 2.436 1.00 5.41 H new ATOM 0 HG2 LYS A 594 -4.940 -11.749 3.448 1.00 6.05 H new ATOM 0 HG3 LYS A 594 -5.254 -11.993 1.741 1.00 6.05 H new ATOM 0 HD2 LYS A 594 -6.186 -9.664 1.595 1.00 5.83 H new ATOM 0 HD3 LYS A 594 -5.826 -9.424 3.293 1.00 5.83 H new ATOM 0 HE2 LYS A 594 -3.458 -9.567 2.936 1.00 6.73 H new ATOM 0 HE3 LYS A 594 -3.650 -10.312 1.362 1.00 6.73 H new ATOM 0 HZ1 LYS A 594 -3.229 -8.193 0.737 1.00 8.12 H new ATOM 0 HZ2 LYS A 594 -4.916 -8.066 0.883 1.00 8.12 H new ATOM 0 HZ3 LYS A 594 -3.911 -7.504 2.131 1.00 8.12 H new ATOM 987 N GLY A 595 -7.030 -14.206 5.352 1.00 5.99 N ATOM 988 CA GLY A 595 -6.615 -15.187 6.361 1.00 6.56 C ATOM 989 C GLY A 595 -7.291 -15.044 7.723 1.00 6.22 C ATOM 990 O GLY A 595 -7.253 -15.986 8.519 1.00 6.62 O ATOM 0 H GLY A 595 -7.701 -14.581 4.681 1.00 5.99 H new ATOM 0 HA2 GLY A 595 -6.816 -16.187 5.977 1.00 6.56 H new ATOM 0 HA3 GLY A 595 -5.537 -15.109 6.498 1.00 6.56 H new ATOM 994 N ASN A 596 -7.823 -13.862 8.045 1.00 5.54 N ATOM 995 CA ASN A 596 -7.914 -13.406 9.427 1.00 5.12 C ATOM 996 C ASN A 596 -9.268 -12.735 9.745 1.00 4.61 C ATOM 997 O ASN A 596 -10.311 -13.101 9.187 1.00 4.75 O ATOM 998 CB ASN A 596 -6.725 -12.474 9.731 1.00 4.95 C ATOM 999 CG ASN A 596 -5.303 -12.858 9.334 1.00 5.52 C ATOM 1000 OD1 ASN A 596 -4.960 -13.985 8.999 1.00 6.08 O ATOM 1001 ND2 ASN A 596 -4.388 -11.925 9.443 1.00 5.49 N ATOM 0 H ASN A 596 -8.198 -13.204 7.362 1.00 5.54 H new ATOM 0 HA ASN A 596 -7.863 -14.277 10.080 1.00 5.12 H new ATOM 0 HB2 ASN A 596 -6.941 -11.516 9.257 1.00 4.95 H new ATOM 0 HB3 ASN A 596 -6.721 -12.303 10.808 1.00 4.95 H new ATOM 0 HD21 ASN A 596 -3.411 -12.144 9.250 1.00 5.49 H new ATOM 0 HD22 ASN A 596 -4.654 -10.980 9.721 1.00 5.49 H new ATOM 1008 N LYS A 597 -9.267 -11.837 10.743 1.00 4.10 N ATOM 1009 CA LYS A 597 -10.450 -11.367 11.467 1.00 3.63 C ATOM 1010 C LYS A 597 -10.936 -9.982 11.049 1.00 2.96 C ATOM 1011 O LYS A 597 -10.237 -9.232 10.368 1.00 2.86 O ATOM 1012 CB LYS A 597 -10.210 -11.462 12.991 1.00 3.62 C ATOM 1013 CG LYS A 597 -10.234 -12.884 13.587 1.00 3.92 C ATOM 1014 CD LYS A 597 -9.114 -13.852 13.163 1.00 4.25 C ATOM 1015 CE LYS A 597 -7.687 -13.303 13.321 1.00 4.80 C ATOM 1016 NZ LYS A 597 -7.404 -12.892 14.720 1.00 4.99 N ATOM 0 H LYS A 597 -8.406 -11.404 11.078 1.00 4.10 H new ATOM 0 HA LYS A 597 -11.268 -12.033 11.191 1.00 3.63 H new ATOM 0 HB2 LYS A 597 -9.244 -11.010 13.216 1.00 3.62 H new ATOM 0 HB3 LYS A 597 -10.968 -10.864 13.497 1.00 3.62 H new ATOM 0 HG2 LYS A 597 -10.207 -12.794 14.673 1.00 3.92 H new ATOM 0 HG3 LYS A 597 -11.189 -13.341 13.328 1.00 3.92 H new ATOM 0 HD2 LYS A 597 -9.203 -14.766 13.750 1.00 4.25 H new ATOM 0 HD3 LYS A 597 -9.268 -14.127 12.120 1.00 4.25 H new ATOM 0 HE2 LYS A 597 -6.969 -14.064 13.014 1.00 4.80 H new ATOM 0 HE3 LYS A 597 -7.551 -12.449 12.657 1.00 4.80 H new ATOM 0 HZ1 LYS A 597 -6.432 -12.528 14.785 1.00 4.99 H new ATOM 0 HZ2 LYS A 597 -8.073 -12.148 15.005 1.00 4.99 H new ATOM 0 HZ3 LYS A 597 -7.509 -13.712 15.351 1.00 4.99 H new ATOM 1030 N GLU A 598 -12.138 -9.628 11.510 1.00 2.68 N ATOM 1031 CA GLU A 598 -12.559 -8.228 11.510 1.00 2.12 C ATOM 1032 C GLU A 598 -11.727 -7.386 12.482 1.00 1.78 C ATOM 1033 O GLU A 598 -11.497 -7.763 13.634 1.00 1.95 O ATOM 1034 CB GLU A 598 -14.071 -8.044 11.734 1.00 2.33 C ATOM 1035 CG GLU A 598 -14.624 -8.449 13.103 1.00 2.79 C ATOM 1036 CD GLU A 598 -16.132 -8.185 13.130 1.00 2.99 C ATOM 1037 OE1 GLU A 598 -16.539 -7.009 13.287 1.00 3.12 O ATOM 1038 OE2 GLU A 598 -16.932 -9.131 12.939 1.00 3.83 O ATOM 0 H GLU A 598 -12.827 -10.282 11.883 1.00 2.68 H new ATOM 0 HA GLU A 598 -12.364 -7.856 10.504 1.00 2.12 H new ATOM 0 HB2 GLU A 598 -14.313 -6.994 11.568 1.00 2.33 H new ATOM 0 HB3 GLU A 598 -14.599 -8.617 10.972 1.00 2.33 H new ATOM 0 HG2 GLU A 598 -14.423 -9.503 13.293 1.00 2.79 H new ATOM 0 HG3 GLU A 598 -14.129 -7.883 13.892 1.00 2.79 H new ATOM 1045 N MET A 599 -11.268 -6.235 12.000 1.00 1.40 N ATOM 1046 CA MET A 599 -10.533 -5.230 12.762 1.00 1.16 C ATOM 1047 C MET A 599 -11.048 -3.819 12.476 1.00 1.04 C ATOM 1048 O MET A 599 -11.930 -3.610 11.638 1.00 1.36 O ATOM 1049 CB MET A 599 -9.018 -5.377 12.554 1.00 1.51 C ATOM 1050 CG MET A 599 -8.482 -6.763 12.933 1.00 1.71 C ATOM 1051 SD MET A 599 -6.704 -6.972 12.662 1.00 2.49 S ATOM 1052 CE MET A 599 -6.633 -6.506 10.914 1.00 2.80 C ATOM 0 H MET A 599 -11.404 -5.965 11.026 1.00 1.40 H new ATOM 0 HA MET A 599 -10.716 -5.404 13.822 1.00 1.16 H new ATOM 0 HB2 MET A 599 -8.781 -5.178 11.509 1.00 1.51 H new ATOM 0 HB3 MET A 599 -8.502 -4.622 13.147 1.00 1.51 H new ATOM 0 HG2 MET A 599 -8.702 -6.950 13.984 1.00 1.71 H new ATOM 0 HG3 MET A 599 -9.017 -7.517 12.356 1.00 1.71 H new ATOM 0 HE1 MET A 599 -5.719 -6.899 10.470 1.00 2.80 H new ATOM 0 HE2 MET A 599 -7.496 -6.919 10.392 1.00 2.80 H new ATOM 0 HE3 MET A 599 -6.641 -5.420 10.826 1.00 2.80 H new ATOM 1062 N LYS A 600 -10.488 -2.843 13.182 1.00 0.96 N ATOM 1063 CA LYS A 600 -10.120 -1.534 12.676 1.00 0.94 C ATOM 1064 C LYS A 600 -8.621 -1.417 12.402 1.00 0.94 C ATOM 1065 O LYS A 600 -7.804 -2.018 13.098 1.00 1.07 O ATOM 1066 CB LYS A 600 -10.551 -0.449 13.687 1.00 1.11 C ATOM 1067 CG LYS A 600 -11.966 0.122 13.543 1.00 1.08 C ATOM 1068 CD LYS A 600 -13.093 -0.882 13.312 1.00 1.14 C ATOM 1069 CE LYS A 600 -13.397 -1.774 14.521 1.00 1.35 C ATOM 1070 NZ LYS A 600 -14.392 -1.143 15.417 1.00 1.71 N ATOM 0 H LYS A 600 -10.269 -2.953 14.172 1.00 0.96 H new ATOM 0 HA LYS A 600 -10.636 -1.392 11.727 1.00 0.94 H new ATOM 0 HB2 LYS A 600 -10.455 -0.865 14.690 1.00 1.11 H new ATOM 0 HB3 LYS A 600 -9.844 0.378 13.616 1.00 1.11 H new ATOM 0 HG2 LYS A 600 -12.196 0.690 14.444 1.00 1.08 H new ATOM 0 HG3 LYS A 600 -11.965 0.828 12.713 1.00 1.08 H new ATOM 0 HD2 LYS A 600 -13.998 -0.339 13.038 1.00 1.14 H new ATOM 0 HD3 LYS A 600 -12.832 -1.515 12.464 1.00 1.14 H new ATOM 0 HE2 LYS A 600 -13.772 -2.739 14.179 1.00 1.35 H new ATOM 0 HE3 LYS A 600 -12.478 -1.967 15.074 1.00 1.35 H new ATOM 0 HZ1 LYS A 600 -14.578 -1.770 16.226 1.00 1.71 H new ATOM 0 HZ2 LYS A 600 -14.022 -0.234 15.761 1.00 1.71 H new ATOM 0 HZ3 LYS A 600 -15.276 -0.981 14.894 1.00 1.71 H new ATOM 1084 N LEU A 601 -8.288 -0.588 11.415 1.00 0.87 N ATOM 1085 CA LEU A 601 -6.920 -0.154 11.084 1.00 0.85 C ATOM 1086 C LEU A 601 -6.796 1.372 11.198 1.00 0.78 C ATOM 1087 O LEU A 601 -7.751 2.094 10.924 1.00 0.79 O ATOM 1088 CB LEU A 601 -6.499 -0.648 9.682 1.00 0.93 C ATOM 1089 CG LEU A 601 -5.271 -1.567 9.663 1.00 1.09 C ATOM 1090 CD1 LEU A 601 -5.625 -2.924 10.260 1.00 1.13 C ATOM 1091 CD2 LEU A 601 -4.821 -1.792 8.217 1.00 1.24 C ATOM 0 H LEU A 601 -8.988 -0.180 10.795 1.00 0.87 H new ATOM 0 HA LEU A 601 -6.238 -0.604 11.805 1.00 0.85 H new ATOM 0 HB2 LEU A 601 -7.338 -1.178 9.232 1.00 0.93 H new ATOM 0 HB3 LEU A 601 -6.296 0.219 9.053 1.00 0.93 H new ATOM 0 HG LEU A 601 -4.477 -1.096 10.243 1.00 1.09 H new ATOM 0 HD11 LEU A 601 -4.747 -3.570 10.242 1.00 1.13 H new ATOM 0 HD12 LEU A 601 -5.958 -2.793 11.290 1.00 1.13 H new ATOM 0 HD13 LEU A 601 -6.423 -3.381 9.676 1.00 1.13 H new ATOM 0 HD21 LEU A 601 -3.948 -2.445 8.205 1.00 1.24 H new ATOM 0 HD22 LEU A 601 -5.630 -2.256 7.652 1.00 1.24 H new ATOM 0 HD23 LEU A 601 -4.564 -0.835 7.763 1.00 1.24 H new ATOM 1103 N SER A 602 -5.619 1.858 11.577 1.00 0.78 N ATOM 1104 CA SER A 602 -5.355 3.243 12.006 1.00 0.82 C ATOM 1105 C SER A 602 -4.436 4.015 11.051 1.00 0.85 C ATOM 1106 O SER A 602 -3.844 3.451 10.134 1.00 0.98 O ATOM 1107 CB SER A 602 -4.744 3.201 13.413 1.00 1.09 C ATOM 1108 OG SER A 602 -3.623 2.328 13.423 1.00 1.81 O ATOM 0 H SER A 602 -4.780 1.278 11.597 1.00 0.78 H new ATOM 0 HA SER A 602 -6.303 3.781 12.002 1.00 0.82 H new ATOM 0 HB2 SER A 602 -4.440 4.202 13.718 1.00 1.09 H new ATOM 0 HB3 SER A 602 -5.488 2.861 14.133 1.00 1.09 H new ATOM 0 HG SER A 602 -3.234 2.305 14.322 1.00 1.81 H new ATOM 1114 N ASP A 603 -4.268 5.318 11.270 1.00 0.91 N ATOM 1115 CA ASP A 603 -3.327 6.154 10.515 1.00 1.06 C ATOM 1116 C ASP A 603 -1.902 5.563 10.472 1.00 1.10 C ATOM 1117 O ASP A 603 -1.414 4.986 11.449 1.00 1.08 O ATOM 1118 CB ASP A 603 -3.331 7.571 11.097 1.00 1.23 C ATOM 1119 CG ASP A 603 -2.862 7.608 12.550 1.00 1.30 C ATOM 1120 OD1 ASP A 603 -3.692 7.340 13.457 1.00 2.51 O ATOM 1121 OD2 ASP A 603 -1.680 7.952 12.783 1.00 2.13 O ATOM 0 H ASP A 603 -4.785 5.832 11.983 1.00 0.91 H new ATOM 0 HA ASP A 603 -3.662 6.187 9.478 1.00 1.06 H new ATOM 0 HB2 ASP A 603 -2.686 8.210 10.494 1.00 1.23 H new ATOM 0 HB3 ASP A 603 -4.338 7.984 11.033 1.00 1.23 H new ATOM 1126 N GLY A 604 -1.243 5.667 9.316 1.00 1.23 N ATOM 1127 CA GLY A 604 0.069 5.065 9.073 1.00 1.38 C ATOM 1128 C GLY A 604 0.054 3.566 8.754 1.00 1.34 C ATOM 1129 O GLY A 604 1.126 2.986 8.577 1.00 1.50 O ATOM 0 H GLY A 604 -1.610 6.178 8.513 1.00 1.23 H new ATOM 0 HA2 GLY A 604 0.544 5.591 8.245 1.00 1.38 H new ATOM 0 HA3 GLY A 604 0.693 5.226 9.952 1.00 1.38 H new ATOM 1133 N SER A 605 -1.127 2.947 8.690 1.00 1.20 N ATOM 1134 CA SER A 605 -1.356 1.537 8.329 1.00 1.13 C ATOM 1135 C SER A 605 -1.641 1.352 6.836 1.00 1.03 C ATOM 1136 O SER A 605 -1.759 2.327 6.098 1.00 0.97 O ATOM 1137 CB SER A 605 -2.527 0.974 9.124 1.00 1.06 C ATOM 1138 OG SER A 605 -2.354 1.213 10.506 1.00 1.30 O ATOM 0 H SER A 605 -1.997 3.437 8.898 1.00 1.20 H new ATOM 0 HA SER A 605 -0.438 1.001 8.568 1.00 1.13 H new ATOM 0 HB2 SER A 605 -3.457 1.431 8.785 1.00 1.06 H new ATOM 0 HB3 SER A 605 -2.614 -0.097 8.943 1.00 1.06 H new ATOM 0 HG SER A 605 -2.814 2.042 10.755 1.00 1.30 H new ATOM 1144 N TYR A 606 -1.745 0.108 6.365 1.00 1.04 N ATOM 1145 CA TYR A 606 -1.853 -0.210 4.937 1.00 1.03 C ATOM 1146 C TYR A 606 -2.729 -1.447 4.648 1.00 1.09 C ATOM 1147 O TYR A 606 -2.884 -2.292 5.533 1.00 1.27 O ATOM 1148 CB TYR A 606 -0.416 -0.389 4.426 1.00 1.11 C ATOM 1149 CG TYR A 606 0.267 -1.618 4.969 1.00 1.23 C ATOM 1150 CD1 TYR A 606 0.038 -2.853 4.343 1.00 2.49 C ATOM 1151 CD2 TYR A 606 1.043 -1.545 6.139 1.00 2.23 C ATOM 1152 CE1 TYR A 606 0.528 -4.034 4.908 1.00 3.23 C ATOM 1153 CE2 TYR A 606 1.553 -2.731 6.705 1.00 2.73 C ATOM 1154 CZ TYR A 606 1.259 -3.983 6.115 1.00 2.88 C ATOM 1155 OH TYR A 606 1.627 -5.136 6.730 1.00 3.86 O ATOM 0 H TYR A 606 -1.757 -0.715 6.968 1.00 1.04 H new ATOM 0 HA TYR A 606 -2.363 0.599 4.414 1.00 1.03 H new ATOM 0 HB2 TYR A 606 -0.430 -0.442 3.337 1.00 1.11 H new ATOM 0 HB3 TYR A 606 0.169 0.491 4.695 1.00 1.11 H new ATOM 0 HD1 TYR A 606 -0.520 -2.891 3.419 1.00 2.49 H new ATOM 0 HD2 TYR A 606 1.246 -0.590 6.600 1.00 2.23 H new ATOM 0 HE1 TYR A 606 0.348 -4.982 4.423 1.00 3.23 H new ATOM 0 HE2 TYR A 606 2.169 -2.684 7.591 1.00 2.73 H new ATOM 0 HH TYR A 606 2.124 -4.926 7.548 1.00 3.86 H new ATOM 1165 N PHE A 607 -3.288 -1.581 3.432 1.00 0.98 N ATOM 1166 CA PHE A 607 -4.104 -2.754 3.053 1.00 1.05 C ATOM 1167 C PHE A 607 -4.110 -3.058 1.538 1.00 1.25 C ATOM 1168 O PHE A 607 -3.559 -2.316 0.730 1.00 1.63 O ATOM 1169 CB PHE A 607 -5.530 -2.587 3.617 1.00 1.53 C ATOM 1170 CG PHE A 607 -6.124 -1.201 3.463 1.00 0.95 C ATOM 1171 CD1 PHE A 607 -6.317 -0.646 2.184 1.00 1.85 C ATOM 1172 CD2 PHE A 607 -6.450 -0.447 4.606 1.00 2.02 C ATOM 1173 CE1 PHE A 607 -6.794 0.667 2.053 1.00 2.24 C ATOM 1174 CE2 PHE A 607 -6.946 0.860 4.463 1.00 1.84 C ATOM 1175 CZ PHE A 607 -7.086 1.427 3.194 1.00 1.36 C ATOM 0 H PHE A 607 -3.190 -0.888 2.690 1.00 0.98 H new ATOM 0 HA PHE A 607 -3.636 -3.631 3.499 1.00 1.05 H new ATOM 0 HB2 PHE A 607 -6.186 -3.303 3.122 1.00 1.53 H new ATOM 0 HB3 PHE A 607 -5.518 -2.844 4.676 1.00 1.53 H new ATOM 0 HD1 PHE A 607 -6.098 -1.231 1.303 1.00 1.85 H new ATOM 0 HD2 PHE A 607 -6.319 -0.872 5.590 1.00 2.02 H new ATOM 0 HE1 PHE A 607 -6.936 1.093 1.071 1.00 2.24 H new ATOM 0 HE2 PHE A 607 -7.220 1.429 5.339 1.00 1.84 H new ATOM 0 HZ PHE A 607 -7.419 2.449 3.092 1.00 1.36 H new ATOM 1185 N GLY A 608 -4.730 -4.176 1.145 1.00 1.32 N ATOM 1186 CA GLY A 608 -4.691 -4.711 -0.224 1.00 1.61 C ATOM 1187 C GLY A 608 -3.353 -5.373 -0.591 1.00 1.88 C ATOM 1188 O GLY A 608 -2.346 -5.169 0.088 1.00 3.07 O ATOM 0 H GLY A 608 -5.285 -4.748 1.782 1.00 1.32 H new ATOM 0 HA2 GLY A 608 -5.492 -5.441 -0.342 1.00 1.61 H new ATOM 0 HA3 GLY A 608 -4.891 -3.902 -0.927 1.00 1.61 H new ATOM 1192 N GLU A 609 -3.352 -6.186 -1.653 1.00 2.04 N ATOM 1193 CA GLU A 609 -2.208 -6.941 -2.208 1.00 2.62 C ATOM 1194 C GLU A 609 -1.454 -7.881 -1.236 1.00 1.80 C ATOM 1195 O GLU A 609 -1.647 -7.884 -0.017 1.00 2.70 O ATOM 1196 CB GLU A 609 -1.268 -5.994 -2.998 1.00 4.46 C ATOM 1197 CG GLU A 609 -1.467 -6.080 -4.527 1.00 5.95 C ATOM 1198 CD GLU A 609 -0.695 -7.226 -5.204 1.00 6.93 C ATOM 1199 OE1 GLU A 609 -0.416 -8.244 -4.526 1.00 6.83 O ATOM 1200 OE2 GLU A 609 -0.417 -7.110 -6.426 1.00 8.26 O ATOM 0 H GLU A 609 -4.205 -6.349 -2.188 1.00 2.04 H new ATOM 0 HA GLU A 609 -2.654 -7.658 -2.897 1.00 2.62 H new ATOM 0 HB2 GLU A 609 -1.439 -4.968 -2.673 1.00 4.46 H new ATOM 0 HB3 GLU A 609 -0.233 -6.236 -2.758 1.00 4.46 H new ATOM 0 HG2 GLU A 609 -2.530 -6.200 -4.737 1.00 5.95 H new ATOM 0 HG3 GLU A 609 -1.158 -5.136 -4.975 1.00 5.95 H new ATOM 1207 N ILE A 610 -0.596 -8.726 -1.809 1.00 2.03 N ATOM 1208 CA ILE A 610 0.333 -9.631 -1.119 1.00 2.74 C ATOM 1209 C ILE A 610 1.779 -9.253 -1.465 1.00 2.82 C ATOM 1210 O ILE A 610 2.621 -9.174 -0.575 1.00 3.99 O ATOM 1211 CB ILE A 610 0.001 -11.099 -1.488 1.00 3.77 C ATOM 1212 CG1 ILE A 610 -1.309 -11.532 -0.801 1.00 4.98 C ATOM 1213 CG2 ILE A 610 1.145 -12.072 -1.146 1.00 4.68 C ATOM 1214 CD1 ILE A 610 -1.845 -12.893 -1.260 1.00 6.21 C ATOM 0 H ILE A 610 -0.524 -8.804 -2.823 1.00 2.03 H new ATOM 0 HA ILE A 610 0.222 -9.533 -0.039 1.00 2.74 H new ATOM 0 HB ILE A 610 -0.127 -11.140 -2.570 1.00 3.77 H new ATOM 0 HG12 ILE A 610 -1.147 -11.564 0.276 1.00 4.98 H new ATOM 0 HG13 ILE A 610 -2.070 -10.774 -0.987 1.00 4.98 H new ATOM 0 HG21 ILE A 610 0.857 -13.085 -1.426 1.00 4.68 H new ATOM 0 HG22 ILE A 610 2.043 -11.785 -1.694 1.00 4.68 H new ATOM 0 HG23 ILE A 610 1.346 -12.035 -0.075 1.00 4.68 H new ATOM 0 HD11 ILE A 610 -2.768 -13.119 -0.726 1.00 6.21 H new ATOM 0 HD12 ILE A 610 -2.043 -12.864 -2.331 1.00 6.21 H new ATOM 0 HD13 ILE A 610 -1.105 -13.665 -1.049 1.00 6.21 H new ATOM 1226 N CYS A 611 2.080 -9.019 -2.747 1.00 2.45 N ATOM 1227 CA CYS A 611 3.439 -8.738 -3.209 1.00 3.00 C ATOM 1228 C CYS A 611 3.417 -8.065 -4.582 1.00 1.93 C ATOM 1229 O CYS A 611 2.794 -8.578 -5.503 1.00 2.19 O ATOM 1230 CB CYS A 611 4.221 -10.060 -3.246 1.00 4.92 C ATOM 1231 SG CYS A 611 5.901 -9.822 -3.891 1.00 6.22 S ATOM 0 H CYS A 611 1.385 -9.020 -3.493 1.00 2.45 H new ATOM 0 HA CYS A 611 3.930 -8.046 -2.524 1.00 3.00 H new ATOM 0 HB2 CYS A 611 4.272 -10.482 -2.242 1.00 4.92 H new ATOM 0 HB3 CYS A 611 3.690 -10.781 -3.868 1.00 4.92 H new ATOM 0 HG CYS A 611 6.527 -10.961 -3.903 1.00 6.22 H new ATOM 1237 N LEU A 612 4.192 -6.989 -4.755 1.00 1.77 N ATOM 1238 CA LEU A 612 4.337 -6.219 -6.004 1.00 1.43 C ATOM 1239 C LEU A 612 4.877 -7.002 -7.223 1.00 1.61 C ATOM 1240 O LEU A 612 5.000 -6.436 -8.314 1.00 1.95 O ATOM 1241 CB LEU A 612 5.199 -4.987 -5.700 1.00 1.59 C ATOM 1242 CG LEU A 612 4.329 -3.841 -5.150 1.00 1.87 C ATOM 1243 CD1 LEU A 612 4.277 -3.788 -3.624 1.00 3.06 C ATOM 1244 CD2 LEU A 612 4.896 -2.534 -5.663 1.00 1.56 C ATOM 0 H LEU A 612 4.762 -6.611 -3.998 1.00 1.77 H new ATOM 0 HA LEU A 612 3.332 -5.940 -6.322 1.00 1.43 H new ATOM 0 HB2 LEU A 612 5.970 -5.246 -4.975 1.00 1.59 H new ATOM 0 HB3 LEU A 612 5.710 -4.661 -6.606 1.00 1.59 H new ATOM 0 HG LEU A 612 3.309 -4.014 -5.492 1.00 1.87 H new ATOM 0 HD11 LEU A 612 3.646 -2.956 -3.310 1.00 3.06 H new ATOM 0 HD12 LEU A 612 3.864 -4.721 -3.241 1.00 3.06 H new ATOM 0 HD13 LEU A 612 5.284 -3.649 -3.230 1.00 3.06 H new ATOM 0 HD21 LEU A 612 4.297 -1.705 -5.287 1.00 1.56 H new ATOM 0 HD22 LEU A 612 5.924 -2.424 -5.319 1.00 1.56 H new ATOM 0 HD23 LEU A 612 4.876 -2.531 -6.753 1.00 1.56 H new ATOM 1256 N LEU A 613 5.195 -8.287 -7.037 1.00 1.76 N ATOM 1257 CA LEU A 613 5.644 -9.229 -8.062 1.00 2.24 C ATOM 1258 C LEU A 613 4.752 -10.484 -8.170 1.00 2.15 C ATOM 1259 O LEU A 613 4.947 -11.278 -9.092 1.00 2.71 O ATOM 1260 CB LEU A 613 7.120 -9.596 -7.800 1.00 2.74 C ATOM 1261 CG LEU A 613 8.052 -8.369 -7.772 1.00 3.79 C ATOM 1262 CD1 LEU A 613 8.381 -7.918 -6.343 1.00 3.91 C ATOM 1263 CD2 LEU A 613 9.380 -8.670 -8.466 1.00 5.06 C ATOM 0 H LEU A 613 5.142 -8.720 -6.115 1.00 1.76 H new ATOM 0 HA LEU A 613 5.557 -8.737 -9.031 1.00 2.24 H new ATOM 0 HB2 LEU A 613 7.194 -10.123 -6.849 1.00 2.74 H new ATOM 0 HB3 LEU A 613 7.460 -10.285 -8.573 1.00 2.74 H new ATOM 0 HG LEU A 613 7.511 -7.578 -8.291 1.00 3.79 H new ATOM 0 HD11 LEU A 613 9.040 -7.051 -6.378 1.00 3.91 H new ATOM 0 HD12 LEU A 613 7.460 -7.653 -5.824 1.00 3.91 H new ATOM 0 HD13 LEU A 613 8.877 -8.730 -5.810 1.00 3.91 H new ATOM 0 HD21 LEU A 613 10.017 -7.786 -8.431 1.00 5.06 H new ATOM 0 HD22 LEU A 613 9.877 -9.496 -7.958 1.00 5.06 H new ATOM 0 HD23 LEU A 613 9.194 -8.942 -9.505 1.00 5.06 H new ATOM 1275 N THR A 614 3.781 -10.672 -7.263 1.00 1.64 N ATOM 1276 CA THR A 614 2.817 -11.796 -7.341 1.00 1.65 C ATOM 1277 C THR A 614 1.592 -11.470 -8.198 1.00 1.71 C ATOM 1278 O THR A 614 1.152 -10.320 -8.288 1.00 1.97 O ATOM 1279 CB THR A 614 2.432 -12.395 -5.976 1.00 1.91 C ATOM 1280 OG1 THR A 614 2.035 -13.736 -6.151 1.00 2.86 O ATOM 1281 CG2 THR A 614 1.285 -11.714 -5.231 1.00 2.46 C ATOM 0 H THR A 614 3.637 -10.060 -6.460 1.00 1.64 H new ATOM 0 HA THR A 614 3.361 -12.587 -7.856 1.00 1.65 H new ATOM 0 HB THR A 614 3.331 -12.261 -5.375 1.00 1.91 H new ATOM 0 HG1 THR A 614 1.791 -14.121 -5.283 1.00 2.86 H new ATOM 0 HG21 THR A 614 1.110 -12.227 -4.286 1.00 2.46 H new ATOM 0 HG22 THR A 614 1.545 -10.673 -5.036 1.00 2.46 H new ATOM 0 HG23 THR A 614 0.381 -11.755 -5.839 1.00 2.46 H new ATOM 1289 N ARG A 615 1.046 -12.508 -8.837 1.00 1.82 N ATOM 1290 CA ARG A 615 -0.028 -12.423 -9.843 1.00 2.03 C ATOM 1291 C ARG A 615 -1.364 -11.928 -9.274 1.00 2.06 C ATOM 1292 O ARG A 615 -1.602 -11.980 -8.063 1.00 2.72 O ATOM 1293 CB ARG A 615 -0.175 -13.780 -10.557 1.00 2.94 C ATOM 1294 CG ARG A 615 0.996 -14.029 -11.523 1.00 3.19 C ATOM 1295 CD ARG A 615 0.848 -15.341 -12.302 1.00 4.26 C ATOM 1296 NE ARG A 615 0.972 -16.525 -11.432 1.00 5.24 N ATOM 1297 CZ ARG A 615 0.062 -17.441 -11.164 1.00 6.82 C ATOM 1298 NH1 ARG A 615 -1.175 -17.367 -11.568 1.00 7.70 N ATOM 1299 NH2 ARG A 615 0.418 -18.480 -10.470 1.00 8.04 N ATOM 0 H ARG A 615 1.347 -13.467 -8.665 1.00 1.82 H new ATOM 0 HA ARG A 615 0.265 -11.665 -10.569 1.00 2.03 H new ATOM 0 HB2 ARG A 615 -0.217 -14.580 -9.818 1.00 2.94 H new ATOM 0 HB3 ARG A 615 -1.116 -13.805 -11.107 1.00 2.94 H new ATOM 0 HG2 ARG A 615 1.065 -13.199 -12.226 1.00 3.19 H new ATOM 0 HG3 ARG A 615 1.929 -14.048 -10.960 1.00 3.19 H new ATOM 0 HD2 ARG A 615 -0.122 -15.358 -12.799 1.00 4.26 H new ATOM 0 HD3 ARG A 615 1.607 -15.385 -13.083 1.00 4.26 H new ATOM 0 HE ARG A 615 1.877 -16.652 -10.980 1.00 5.24 H new ATOM 0 HH11 ARG A 615 -1.483 -16.569 -12.123 1.00 7.70 H new ATOM 0 HH12 ARG A 615 -1.835 -18.107 -11.329 1.00 7.70 H new ATOM 0 HH21 ARG A 615 1.381 -18.572 -10.147 1.00 8.04 H new ATOM 0 HH22 ARG A 615 -0.266 -19.204 -10.248 1.00 8.04 H new ATOM 1313 N GLY A 616 -2.227 -11.445 -10.171 1.00 2.26 N ATOM 1314 CA GLY A 616 -3.543 -10.872 -9.873 1.00 2.88 C ATOM 1315 C GLY A 616 -4.549 -11.867 -9.289 1.00 1.87 C ATOM 1316 O GLY A 616 -4.183 -12.969 -8.882 1.00 2.57 O ATOM 0 H GLY A 616 -2.019 -11.442 -11.170 1.00 2.26 H new ATOM 0 HA2 GLY A 616 -3.416 -10.048 -9.171 1.00 2.88 H new ATOM 0 HA3 GLY A 616 -3.958 -10.450 -10.788 1.00 2.88 H new ATOM 1320 N ARG A 617 -5.831 -11.473 -9.234 1.00 2.01 N ATOM 1321 CA ARG A 617 -6.888 -12.209 -8.506 1.00 1.63 C ATOM 1322 C ARG A 617 -6.571 -12.374 -7.012 1.00 1.56 C ATOM 1323 O ARG A 617 -6.723 -13.455 -6.438 1.00 1.89 O ATOM 1324 CB ARG A 617 -7.235 -13.553 -9.188 1.00 2.09 C ATOM 1325 CG ARG A 617 -7.764 -13.459 -10.624 1.00 2.02 C ATOM 1326 CD ARG A 617 -9.105 -12.713 -10.683 1.00 1.72 C ATOM 1327 NE ARG A 617 -9.861 -13.040 -11.906 1.00 2.44 N ATOM 1328 CZ ARG A 617 -10.548 -14.145 -12.143 1.00 3.01 C ATOM 1329 NH1 ARG A 617 -10.639 -15.157 -11.331 1.00 3.81 N ATOM 1330 NH2 ARG A 617 -11.179 -14.274 -13.265 1.00 3.90 N ATOM 0 H ARG A 617 -6.170 -10.629 -9.695 1.00 2.01 H new ATOM 0 HA ARG A 617 -7.785 -11.592 -8.557 1.00 1.63 H new ATOM 0 HB2 ARG A 617 -6.342 -14.178 -9.191 1.00 2.09 H new ATOM 0 HB3 ARG A 617 -7.981 -14.065 -8.580 1.00 2.09 H new ATOM 0 HG2 ARG A 617 -7.033 -12.946 -11.249 1.00 2.02 H new ATOM 0 HG3 ARG A 617 -7.886 -14.462 -11.034 1.00 2.02 H new ATOM 0 HD2 ARG A 617 -9.702 -12.969 -9.808 1.00 1.72 H new ATOM 0 HD3 ARG A 617 -8.925 -11.639 -10.643 1.00 1.72 H new ATOM 0 HE ARG A 617 -9.853 -12.340 -12.648 1.00 2.44 H new ATOM 0 HH11 ARG A 617 -10.157 -15.135 -10.432 1.00 3.81 H new ATOM 0 HH12 ARG A 617 -11.192 -15.973 -11.593 1.00 3.81 H new ATOM 0 HH21 ARG A 617 -11.144 -13.527 -13.959 1.00 3.90 H new ATOM 0 HH22 ARG A 617 -11.711 -15.123 -13.456 1.00 3.90 H new ATOM 1344 N ARG A 618 -6.148 -11.282 -6.366 1.00 1.58 N ATOM 1345 CA ARG A 618 -6.154 -11.165 -4.898 1.00 1.75 C ATOM 1346 C ARG A 618 -7.597 -11.114 -4.362 1.00 1.87 C ATOM 1347 O ARG A 618 -8.550 -11.047 -5.142 1.00 2.39 O ATOM 1348 CB ARG A 618 -5.333 -9.940 -4.445 1.00 1.95 C ATOM 1349 CG ARG A 618 -3.903 -9.791 -4.998 1.00 2.91 C ATOM 1350 CD ARG A 618 -2.907 -10.853 -4.513 1.00 3.12 C ATOM 1351 NE ARG A 618 -2.789 -11.977 -5.460 1.00 4.38 N ATOM 1352 CZ ARG A 618 -3.169 -13.232 -5.313 1.00 5.07 C ATOM 1353 NH1 ARG A 618 -3.743 -13.713 -4.253 1.00 5.09 N ATOM 1354 NH2 ARG A 618 -2.979 -14.073 -6.275 1.00 6.44 N ATOM 0 H ARG A 618 -5.792 -10.454 -6.843 1.00 1.58 H new ATOM 0 HA ARG A 618 -5.679 -12.051 -4.477 1.00 1.75 H new ATOM 0 HB2 ARG A 618 -5.892 -9.044 -4.715 1.00 1.95 H new ATOM 0 HB3 ARG A 618 -5.271 -9.962 -3.357 1.00 1.95 H new ATOM 0 HG2 ARG A 618 -3.945 -9.824 -6.087 1.00 2.91 H new ATOM 0 HG3 ARG A 618 -3.524 -8.807 -4.723 1.00 2.91 H new ATOM 0 HD2 ARG A 618 -1.928 -10.394 -4.372 1.00 3.12 H new ATOM 0 HD3 ARG A 618 -3.225 -11.230 -3.541 1.00 3.12 H new ATOM 0 HE ARG A 618 -2.352 -11.753 -6.354 1.00 4.38 H new ATOM 0 HH11 ARG A 618 -3.930 -13.106 -3.455 1.00 5.09 H new ATOM 0 HH12 ARG A 618 -4.007 -14.698 -4.218 1.00 5.09 H new ATOM 0 HH21 ARG A 618 -2.538 -13.765 -7.142 1.00 6.44 H new ATOM 0 HH22 ARG A 618 -3.270 -15.045 -6.168 1.00 6.44 H new ATOM 1368 N THR A 619 -7.764 -11.142 -3.039 1.00 1.86 N ATOM 1369 CA THR A 619 -9.049 -10.879 -2.358 1.00 1.90 C ATOM 1370 C THR A 619 -8.924 -9.750 -1.326 1.00 1.66 C ATOM 1371 O THR A 619 -7.849 -9.563 -0.749 1.00 2.06 O ATOM 1372 CB THR A 619 -9.634 -12.170 -1.757 1.00 2.53 C ATOM 1373 OG1 THR A 619 -10.993 -11.955 -1.455 1.00 2.49 O ATOM 1374 CG2 THR A 619 -8.940 -12.648 -0.480 1.00 4.09 C ATOM 0 H THR A 619 -7.003 -11.351 -2.393 1.00 1.86 H new ATOM 0 HA THR A 619 -9.759 -10.529 -3.107 1.00 1.90 H new ATOM 0 HB THR A 619 -9.484 -12.945 -2.509 1.00 2.53 H new ATOM 0 HG1 THR A 619 -11.376 -12.772 -1.073 1.00 2.49 H new ATOM 0 HG21 THR A 619 -9.417 -13.562 -0.127 1.00 4.09 H new ATOM 0 HG22 THR A 619 -7.889 -12.845 -0.689 1.00 4.09 H new ATOM 0 HG23 THR A 619 -9.019 -11.878 0.287 1.00 4.09 H new ATOM 1382 N ALA A 620 -9.985 -8.962 -1.109 1.00 1.49 N ATOM 1383 CA ALA A 620 -10.010 -7.873 -0.119 1.00 1.49 C ATOM 1384 C ALA A 620 -11.436 -7.496 0.335 1.00 1.25 C ATOM 1385 O ALA A 620 -12.378 -7.532 -0.466 1.00 1.56 O ATOM 1386 CB ALA A 620 -9.314 -6.636 -0.707 1.00 2.17 C ATOM 0 H ALA A 620 -10.861 -9.063 -1.621 1.00 1.49 H new ATOM 0 HA ALA A 620 -9.483 -8.232 0.765 1.00 1.49 H new ATOM 0 HB1 ALA A 620 -9.331 -5.827 0.024 1.00 2.17 H new ATOM 0 HB2 ALA A 620 -8.281 -6.882 -0.952 1.00 2.17 H new ATOM 0 HB3 ALA A 620 -9.836 -6.320 -1.610 1.00 2.17 H new ATOM 1392 N SER A 621 -11.577 -7.071 1.598 1.00 1.25 N ATOM 1393 CA SER A 621 -12.827 -6.566 2.194 1.00 1.19 C ATOM 1394 C SER A 621 -12.540 -5.461 3.231 1.00 1.16 C ATOM 1395 O SER A 621 -12.064 -5.747 4.331 1.00 1.39 O ATOM 1396 CB SER A 621 -13.590 -7.718 2.870 1.00 1.50 C ATOM 1397 OG SER A 621 -13.892 -8.764 1.968 1.00 2.18 O ATOM 0 H SER A 621 -10.799 -7.068 2.257 1.00 1.25 H new ATOM 0 HA SER A 621 -13.435 -6.142 1.395 1.00 1.19 H new ATOM 0 HB2 SER A 621 -12.994 -8.112 3.693 1.00 1.50 H new ATOM 0 HB3 SER A 621 -14.515 -7.335 3.301 1.00 1.50 H new ATOM 0 HG SER A 621 -14.375 -9.474 2.440 1.00 2.18 H new ATOM 1403 N VAL A 622 -12.763 -4.183 2.892 1.00 0.96 N ATOM 1404 CA VAL A 622 -12.582 -3.051 3.837 1.00 0.89 C ATOM 1405 C VAL A 622 -13.419 -1.804 3.486 1.00 0.76 C ATOM 1406 O VAL A 622 -13.623 -1.476 2.315 1.00 0.75 O ATOM 1407 CB VAL A 622 -11.075 -2.742 4.037 1.00 0.99 C ATOM 1408 CG1 VAL A 622 -10.298 -2.617 2.730 1.00 1.05 C ATOM 1409 CG2 VAL A 622 -10.786 -1.502 4.885 1.00 0.97 C ATOM 0 H VAL A 622 -13.072 -3.897 1.963 1.00 0.96 H new ATOM 0 HA VAL A 622 -12.983 -3.372 4.798 1.00 0.89 H new ATOM 0 HB VAL A 622 -10.729 -3.620 4.583 1.00 0.99 H new ATOM 0 HG11 VAL A 622 -9.252 -2.401 2.948 1.00 1.05 H new ATOM 0 HG12 VAL A 622 -10.367 -3.552 2.175 1.00 1.05 H new ATOM 0 HG13 VAL A 622 -10.719 -1.808 2.132 1.00 1.05 H new ATOM 0 HG21 VAL A 622 -9.708 -1.363 4.972 1.00 0.97 H new ATOM 0 HG22 VAL A 622 -11.228 -0.626 4.410 1.00 0.97 H new ATOM 0 HG23 VAL A 622 -11.216 -1.632 5.878 1.00 0.97 H new ATOM 1419 N ARG A 623 -13.870 -1.073 4.518 1.00 0.75 N ATOM 1420 CA ARG A 623 -14.603 0.203 4.443 1.00 0.68 C ATOM 1421 C ARG A 623 -13.993 1.273 5.354 1.00 0.69 C ATOM 1422 O ARG A 623 -13.260 0.973 6.294 1.00 0.77 O ATOM 1423 CB ARG A 623 -16.101 -0.039 4.732 1.00 0.74 C ATOM 1424 CG ARG A 623 -16.423 -0.264 6.218 1.00 0.88 C ATOM 1425 CD ARG A 623 -17.750 -0.997 6.454 1.00 1.00 C ATOM 1426 NE ARG A 623 -18.912 -0.280 5.902 1.00 1.89 N ATOM 1427 CZ ARG A 623 -20.179 -0.617 6.051 1.00 2.56 C ATOM 1428 NH1 ARG A 623 -20.560 -1.669 6.712 1.00 2.50 N ATOM 1429 NH2 ARG A 623 -21.101 0.124 5.518 1.00 3.71 N ATOM 0 H ARG A 623 -13.725 -1.373 5.482 1.00 0.75 H new ATOM 0 HA ARG A 623 -14.513 0.597 3.431 1.00 0.68 H new ATOM 0 HB2 ARG A 623 -16.673 0.817 4.373 1.00 0.74 H new ATOM 0 HB3 ARG A 623 -16.435 -0.907 4.163 1.00 0.74 H new ATOM 0 HG2 ARG A 623 -15.615 -0.837 6.674 1.00 0.88 H new ATOM 0 HG3 ARG A 623 -16.455 0.701 6.724 1.00 0.88 H new ATOM 0 HD2 ARG A 623 -17.695 -1.989 6.005 1.00 1.00 H new ATOM 0 HD3 ARG A 623 -17.894 -1.140 7.525 1.00 1.00 H new ATOM 0 HE ARG A 623 -18.719 0.557 5.352 1.00 1.89 H new ATOM 0 HH11 ARG A 623 -19.866 -2.278 7.145 1.00 2.50 H new ATOM 0 HH12 ARG A 623 -21.553 -1.885 6.798 1.00 2.50 H new ATOM 0 HH21 ARG A 623 -20.843 0.958 4.990 1.00 3.71 H new ATOM 0 HH22 ARG A 623 -22.084 -0.127 5.627 1.00 3.71 H new ATOM 1443 N ALA A 624 -14.299 2.536 5.095 1.00 0.65 N ATOM 1444 CA ALA A 624 -13.897 3.646 5.948 1.00 0.61 C ATOM 1445 C ALA A 624 -14.626 3.580 7.305 1.00 0.67 C ATOM 1446 O ALA A 624 -15.839 3.369 7.346 1.00 0.81 O ATOM 1447 CB ALA A 624 -14.182 4.943 5.187 1.00 0.62 C ATOM 0 H ALA A 624 -14.839 2.822 4.278 1.00 0.65 H new ATOM 0 HA ALA A 624 -12.833 3.598 6.179 1.00 0.61 H new ATOM 0 HB1 ALA A 624 -13.891 5.796 5.800 1.00 0.62 H new ATOM 0 HB2 ALA A 624 -13.612 4.953 4.258 1.00 0.62 H new ATOM 0 HB3 ALA A 624 -15.246 5.005 4.960 1.00 0.62 H new ATOM 1453 N ASP A 625 -13.925 3.781 8.425 1.00 0.70 N ATOM 1454 CA ASP A 625 -14.586 3.947 9.734 1.00 0.80 C ATOM 1455 C ASP A 625 -15.198 5.345 9.841 1.00 0.79 C ATOM 1456 O ASP A 625 -16.279 5.535 10.394 1.00 0.97 O ATOM 1457 CB ASP A 625 -13.575 3.776 10.876 1.00 0.91 C ATOM 1458 CG ASP A 625 -14.261 3.375 12.186 1.00 1.27 C ATOM 1459 OD1 ASP A 625 -14.610 2.182 12.338 1.00 2.08 O ATOM 1460 OD2 ASP A 625 -14.468 4.243 13.070 1.00 2.32 O ATOM 0 H ASP A 625 -12.907 3.833 8.458 1.00 0.70 H new ATOM 0 HA ASP A 625 -15.364 3.188 9.814 1.00 0.80 H new ATOM 0 HB2 ASP A 625 -12.842 3.017 10.602 1.00 0.91 H new ATOM 0 HB3 ASP A 625 -13.030 4.708 11.022 1.00 0.91 H new ATOM 1465 N THR A 626 -14.465 6.305 9.279 1.00 0.72 N ATOM 1466 CA THR A 626 -14.542 7.744 9.513 1.00 0.73 C ATOM 1467 C THR A 626 -14.215 8.453 8.192 1.00 0.68 C ATOM 1468 O THR A 626 -14.006 7.786 7.180 1.00 0.68 O ATOM 1469 CB THR A 626 -13.570 8.107 10.652 1.00 0.77 C ATOM 1470 OG1 THR A 626 -13.608 9.486 10.930 1.00 0.86 O ATOM 1471 CG2 THR A 626 -12.127 7.678 10.376 1.00 0.74 C ATOM 0 H THR A 626 -13.745 6.077 8.594 1.00 0.72 H new ATOM 0 HA THR A 626 -15.536 8.063 9.826 1.00 0.73 H new ATOM 0 HB THR A 626 -13.913 7.548 11.522 1.00 0.77 H new ATOM 0 HG1 THR A 626 -12.984 9.690 11.657 1.00 0.86 H new ATOM 0 HG21 THR A 626 -11.495 7.964 11.217 1.00 0.74 H new ATOM 0 HG22 THR A 626 -12.088 6.597 10.243 1.00 0.74 H new ATOM 0 HG23 THR A 626 -11.769 8.168 9.471 1.00 0.74 H new ATOM 1479 N TYR A 627 -14.154 9.782 8.156 1.00 0.74 N ATOM 1480 CA TYR A 627 -13.521 10.503 7.057 1.00 0.76 C ATOM 1481 C TYR A 627 -12.031 10.105 7.038 1.00 0.72 C ATOM 1482 O TYR A 627 -11.221 10.603 7.828 1.00 0.81 O ATOM 1483 CB TYR A 627 -13.811 11.987 7.299 1.00 0.94 C ATOM 1484 CG TYR A 627 -13.419 13.031 6.265 1.00 1.21 C ATOM 1485 CD1 TYR A 627 -12.121 13.097 5.720 1.00 1.91 C ATOM 1486 CD2 TYR A 627 -14.358 14.028 5.937 1.00 2.62 C ATOM 1487 CE1 TYR A 627 -11.773 14.142 4.840 1.00 2.09 C ATOM 1488 CE2 TYR A 627 -14.007 15.080 5.070 1.00 3.11 C ATOM 1489 CZ TYR A 627 -12.711 15.142 4.516 1.00 2.23 C ATOM 1490 OH TYR A 627 -12.359 16.138 3.659 1.00 2.78 O ATOM 0 H TYR A 627 -14.539 10.385 8.883 1.00 0.74 H new ATOM 0 HA TYR A 627 -13.900 10.263 6.063 1.00 0.76 H new ATOM 0 HB2 TYR A 627 -14.885 12.082 7.461 1.00 0.94 H new ATOM 0 HB3 TYR A 627 -13.322 12.262 8.234 1.00 0.94 H new ATOM 0 HD1 TYR A 627 -11.390 12.344 5.977 1.00 1.91 H new ATOM 0 HD2 TYR A 627 -15.354 13.985 6.353 1.00 2.62 H new ATOM 0 HE1 TYR A 627 -10.782 14.176 4.412 1.00 2.09 H new ATOM 0 HE2 TYR A 627 -14.733 15.843 4.828 1.00 3.11 H new ATOM 0 HH TYR A 627 -13.117 16.748 3.537 1.00 2.78 H new ATOM 1500 N CYS A 628 -11.690 9.153 6.164 1.00 0.69 N ATOM 1501 CA CYS A 628 -10.366 8.558 6.022 1.00 0.61 C ATOM 1502 C CYS A 628 -9.630 9.199 4.834 1.00 0.66 C ATOM 1503 O CYS A 628 -10.199 9.408 3.757 1.00 0.88 O ATOM 1504 CB CYS A 628 -10.453 7.011 5.953 1.00 0.54 C ATOM 1505 SG CYS A 628 -10.944 6.391 4.324 1.00 2.27 S ATOM 0 H CYS A 628 -12.365 8.761 5.507 1.00 0.69 H new ATOM 0 HA CYS A 628 -9.768 8.771 6.908 1.00 0.61 H new ATOM 0 HB2 CYS A 628 -9.484 6.588 6.218 1.00 0.54 H new ATOM 0 HB3 CYS A 628 -11.168 6.661 6.698 1.00 0.54 H new ATOM 0 HG CYS A 628 -10.865 7.352 3.452 1.00 2.27 H new ATOM 1511 N ARG A 629 -8.353 9.516 5.050 1.00 0.62 N ATOM 1512 CA ARG A 629 -7.424 10.093 4.079 1.00 0.67 C ATOM 1513 C ARG A 629 -6.439 9.004 3.692 1.00 0.64 C ATOM 1514 O ARG A 629 -5.630 8.542 4.504 1.00 0.65 O ATOM 1515 CB ARG A 629 -6.694 11.259 4.754 1.00 0.86 C ATOM 1516 CG ARG A 629 -7.620 12.430 5.129 1.00 1.76 C ATOM 1517 CD ARG A 629 -7.477 13.570 4.128 1.00 1.44 C ATOM 1518 NE ARG A 629 -6.153 14.200 4.261 1.00 1.54 N ATOM 1519 CZ ARG A 629 -5.853 15.479 4.274 1.00 2.12 C ATOM 1520 NH1 ARG A 629 -6.730 16.415 4.055 1.00 2.75 N ATOM 1521 NH2 ARG A 629 -4.625 15.806 4.526 1.00 2.81 N ATOM 0 H ARG A 629 -7.915 9.368 5.959 1.00 0.62 H new ATOM 0 HA ARG A 629 -7.937 10.460 3.190 1.00 0.67 H new ATOM 0 HB2 ARG A 629 -6.199 10.895 5.654 1.00 0.86 H new ATOM 0 HB3 ARG A 629 -5.913 11.623 4.087 1.00 0.86 H new ATOM 0 HG2 ARG A 629 -8.655 12.089 5.154 1.00 1.76 H new ATOM 0 HG3 ARG A 629 -7.378 12.786 6.130 1.00 1.76 H new ATOM 0 HD2 ARG A 629 -7.608 13.192 3.114 1.00 1.44 H new ATOM 0 HD3 ARG A 629 -8.259 14.311 4.295 1.00 1.44 H new ATOM 0 HE ARG A 629 -5.365 13.559 4.355 1.00 1.54 H new ATOM 0 HH11 ARG A 629 -7.701 16.169 3.862 1.00 2.75 H new ATOM 0 HH12 ARG A 629 -6.446 17.395 4.076 1.00 2.75 H new ATOM 0 HH21 ARG A 629 -3.931 15.081 4.705 1.00 2.81 H new ATOM 0 HH22 ARG A 629 -4.353 16.789 4.545 1.00 2.81 H new ATOM 1535 N LEU A 630 -6.545 8.567 2.453 1.00 0.69 N ATOM 1536 CA LEU A 630 -5.782 7.457 1.899 1.00 0.71 C ATOM 1537 C LEU A 630 -4.782 7.973 0.854 1.00 0.77 C ATOM 1538 O LEU A 630 -4.929 9.055 0.285 1.00 0.87 O ATOM 1539 CB LEU A 630 -6.737 6.361 1.372 1.00 0.73 C ATOM 1540 CG LEU A 630 -7.852 5.903 2.346 1.00 0.72 C ATOM 1541 CD1 LEU A 630 -8.609 4.705 1.764 1.00 0.82 C ATOM 1542 CD2 LEU A 630 -7.365 5.476 3.738 1.00 0.74 C ATOM 0 H LEU A 630 -7.185 8.986 1.778 1.00 0.69 H new ATOM 0 HA LEU A 630 -5.186 6.983 2.679 1.00 0.71 H new ATOM 0 HB2 LEU A 630 -7.207 6.726 0.459 1.00 0.73 H new ATOM 0 HB3 LEU A 630 -6.142 5.490 1.098 1.00 0.73 H new ATOM 0 HG LEU A 630 -8.479 6.787 2.464 1.00 0.72 H new ATOM 0 HD11 LEU A 630 -9.389 4.395 2.459 1.00 0.82 H new ATOM 0 HD12 LEU A 630 -9.062 4.988 0.814 1.00 0.82 H new ATOM 0 HD13 LEU A 630 -7.916 3.879 1.604 1.00 0.82 H new ATOM 0 HD21 LEU A 630 -8.218 5.173 4.345 1.00 0.74 H new ATOM 0 HD22 LEU A 630 -6.674 4.639 3.641 1.00 0.74 H new ATOM 0 HD23 LEU A 630 -6.857 6.312 4.218 1.00 0.74 H new ATOM 1554 N TYR A 631 -3.738 7.194 0.612 1.00 0.74 N ATOM 1555 CA TYR A 631 -2.768 7.425 -0.453 1.00 0.78 C ATOM 1556 C TYR A 631 -2.680 6.180 -1.338 1.00 0.71 C ATOM 1557 O TYR A 631 -2.950 5.071 -0.867 1.00 0.83 O ATOM 1558 CB TYR A 631 -1.434 7.948 0.118 1.00 1.07 C ATOM 1559 CG TYR A 631 -0.577 7.085 1.026 1.00 1.89 C ATOM 1560 CD1 TYR A 631 -1.008 6.761 2.326 1.00 3.49 C ATOM 1561 CD2 TYR A 631 0.718 6.720 0.617 1.00 2.71 C ATOM 1562 CE1 TYR A 631 -0.194 5.988 3.177 1.00 4.92 C ATOM 1563 CE2 TYR A 631 1.554 5.980 1.473 1.00 4.10 C ATOM 1564 CZ TYR A 631 1.077 5.570 2.734 1.00 5.01 C ATOM 1565 OH TYR A 631 1.833 4.747 3.499 1.00 6.60 O ATOM 0 H TYR A 631 -3.535 6.361 1.165 1.00 0.74 H new ATOM 0 HA TYR A 631 -3.094 8.227 -1.114 1.00 0.78 H new ATOM 0 HB2 TYR A 631 -0.813 8.231 -0.732 1.00 1.07 H new ATOM 0 HB3 TYR A 631 -1.659 8.862 0.667 1.00 1.07 H new ATOM 0 HD1 TYR A 631 -1.970 7.108 2.674 1.00 3.49 H new ATOM 0 HD2 TYR A 631 1.073 7.010 -0.361 1.00 2.71 H new ATOM 0 HE1 TYR A 631 -0.542 5.717 4.163 1.00 4.92 H new ATOM 0 HE2 TYR A 631 2.558 5.727 1.165 1.00 4.10 H new ATOM 0 HH TYR A 631 1.747 3.827 3.173 1.00 6.60 H new ATOM 1575 N SER A 632 -2.388 6.361 -2.629 1.00 0.71 N ATOM 1576 CA SER A 632 -2.455 5.271 -3.611 1.00 0.82 C ATOM 1577 C SER A 632 -1.230 5.221 -4.531 1.00 0.77 C ATOM 1578 O SER A 632 -0.938 6.168 -5.263 1.00 0.87 O ATOM 1579 CB SER A 632 -3.799 5.300 -4.357 1.00 1.05 C ATOM 1580 OG SER A 632 -4.118 6.559 -4.930 1.00 2.14 O ATOM 0 H SER A 632 -2.101 7.257 -3.022 1.00 0.71 H new ATOM 0 HA SER A 632 -2.417 4.325 -3.070 1.00 0.82 H new ATOM 0 HB2 SER A 632 -3.780 4.548 -5.146 1.00 1.05 H new ATOM 0 HB3 SER A 632 -4.592 5.016 -3.665 1.00 1.05 H new ATOM 0 HG SER A 632 -5.033 6.537 -5.280 1.00 2.14 H new ATOM 1586 N LEU A 633 -0.482 4.111 -4.473 1.00 0.74 N ATOM 1587 CA LEU A 633 0.832 3.929 -5.118 1.00 0.75 C ATOM 1588 C LEU A 633 0.771 2.786 -6.151 1.00 0.74 C ATOM 1589 O LEU A 633 0.351 1.671 -5.833 1.00 0.79 O ATOM 1590 CB LEU A 633 1.916 3.735 -4.032 1.00 0.83 C ATOM 1591 CG LEU A 633 3.337 4.246 -4.371 1.00 0.95 C ATOM 1592 CD1 LEU A 633 4.276 3.994 -3.194 1.00 1.19 C ATOM 1593 CD2 LEU A 633 3.953 3.590 -5.604 1.00 1.27 C ATOM 0 H LEU A 633 -0.783 3.284 -3.958 1.00 0.74 H new ATOM 0 HA LEU A 633 1.107 4.821 -5.681 1.00 0.75 H new ATOM 0 HB2 LEU A 633 1.582 4.236 -3.124 1.00 0.83 H new ATOM 0 HB3 LEU A 633 1.982 2.671 -3.803 1.00 0.83 H new ATOM 0 HG LEU A 633 3.221 5.309 -4.581 1.00 0.95 H new ATOM 0 HD11 LEU A 633 5.274 4.356 -3.441 1.00 1.19 H new ATOM 0 HD12 LEU A 633 3.906 4.520 -2.314 1.00 1.19 H new ATOM 0 HD13 LEU A 633 4.319 2.925 -2.986 1.00 1.19 H new ATOM 0 HD21 LEU A 633 4.948 4.001 -5.776 1.00 1.27 H new ATOM 0 HD22 LEU A 633 4.027 2.514 -5.445 1.00 1.27 H new ATOM 0 HD23 LEU A 633 3.325 3.786 -6.473 1.00 1.27 H new ATOM 1605 N SER A 634 1.171 3.058 -7.395 1.00 0.79 N ATOM 1606 CA SER A 634 1.204 2.078 -8.488 1.00 0.83 C ATOM 1607 C SER A 634 2.467 1.199 -8.494 1.00 0.80 C ATOM 1608 O SER A 634 3.568 1.648 -8.171 1.00 0.81 O ATOM 1609 CB SER A 634 0.970 2.786 -9.822 1.00 0.93 C ATOM 1610 OG SER A 634 1.964 3.754 -10.104 1.00 2.23 O ATOM 0 H SER A 634 1.488 3.985 -7.679 1.00 0.79 H new ATOM 0 HA SER A 634 0.390 1.372 -8.321 1.00 0.83 H new ATOM 0 HB2 SER A 634 0.949 2.047 -10.623 1.00 0.93 H new ATOM 0 HB3 SER A 634 -0.008 3.268 -9.807 1.00 0.93 H new ATOM 0 HG SER A 634 2.461 3.489 -10.906 1.00 2.23 H new ATOM 1616 N VAL A 635 2.326 -0.079 -8.868 1.00 0.91 N ATOM 1617 CA VAL A 635 3.412 -1.077 -8.760 1.00 0.97 C ATOM 1618 C VAL A 635 4.354 -0.996 -9.946 1.00 0.94 C ATOM 1619 O VAL A 635 5.523 -1.361 -9.833 1.00 1.06 O ATOM 1620 CB VAL A 635 2.921 -2.525 -8.555 1.00 1.14 C ATOM 1621 CG1 VAL A 635 1.798 -2.627 -7.532 1.00 1.71 C ATOM 1622 CG2 VAL A 635 2.546 -3.287 -9.805 1.00 1.87 C ATOM 0 H VAL A 635 1.460 -0.455 -9.254 1.00 0.91 H new ATOM 0 HA VAL A 635 3.954 -0.813 -7.852 1.00 0.97 H new ATOM 0 HB VAL A 635 3.814 -3.017 -8.169 1.00 1.14 H new ATOM 0 HG11 VAL A 635 1.493 -3.668 -7.429 1.00 1.71 H new ATOM 0 HG12 VAL A 635 2.148 -2.255 -6.569 1.00 1.71 H new ATOM 0 HG13 VAL A 635 0.948 -2.031 -7.864 1.00 1.71 H new ATOM 0 HG21 VAL A 635 2.217 -4.290 -9.535 1.00 1.87 H new ATOM 0 HG22 VAL A 635 1.738 -2.767 -10.320 1.00 1.87 H new ATOM 0 HG23 VAL A 635 3.412 -3.354 -10.464 1.00 1.87 H new ATOM 1632 N ASP A 636 3.855 -0.479 -11.069 1.00 0.88 N ATOM 1633 CA ASP A 636 4.659 -0.131 -12.236 1.00 1.02 C ATOM 1634 C ASP A 636 5.863 0.736 -11.846 1.00 0.99 C ATOM 1635 O ASP A 636 7.013 0.391 -12.131 1.00 1.31 O ATOM 1636 CB ASP A 636 3.799 0.607 -13.272 1.00 1.25 C ATOM 1637 CG ASP A 636 2.746 1.586 -12.741 1.00 3.00 C ATOM 1638 OD1 ASP A 636 3.104 2.670 -12.215 1.00 4.54 O ATOM 1639 OD2 ASP A 636 1.542 1.255 -12.840 1.00 3.74 O ATOM 0 H ASP A 636 2.861 -0.287 -11.193 1.00 0.88 H new ATOM 0 HA ASP A 636 5.033 -1.058 -12.671 1.00 1.02 H new ATOM 0 HB2 ASP A 636 4.467 1.157 -13.935 1.00 1.25 H new ATOM 0 HB3 ASP A 636 3.289 -0.140 -13.881 1.00 1.25 H new ATOM 1644 N ASN A 637 5.594 1.821 -11.123 1.00 0.84 N ATOM 1645 CA ASN A 637 6.594 2.776 -10.674 1.00 0.84 C ATOM 1646 C ASN A 637 7.584 2.171 -9.671 1.00 0.83 C ATOM 1647 O ASN A 637 8.733 2.605 -9.670 1.00 1.00 O ATOM 1648 CB ASN A 637 5.869 4.007 -10.105 1.00 0.99 C ATOM 1649 CG ASN A 637 5.724 5.080 -11.162 1.00 1.52 C ATOM 1650 OD1 ASN A 637 6.356 6.124 -11.092 1.00 3.14 O ATOM 1651 ND2 ASN A 637 4.919 4.870 -12.176 1.00 1.26 N ATOM 0 H ASN A 637 4.648 2.063 -10.828 1.00 0.84 H new ATOM 0 HA ASN A 637 7.206 3.075 -11.525 1.00 0.84 H new ATOM 0 HB2 ASN A 637 4.885 3.717 -9.737 1.00 0.99 H new ATOM 0 HB3 ASN A 637 6.425 4.401 -9.254 1.00 0.99 H new ATOM 0 HD21 ASN A 637 4.821 5.577 -12.904 1.00 1.26 H new ATOM 0 HD22 ASN A 637 4.391 3.999 -12.236 1.00 1.26 H new ATOM 1658 N PHE A 638 7.173 1.161 -8.892 1.00 0.76 N ATOM 1659 CA PHE A 638 8.022 0.409 -7.951 1.00 0.79 C ATOM 1660 C PHE A 638 8.987 -0.529 -8.691 1.00 0.88 C ATOM 1661 O PHE A 638 10.197 -0.528 -8.460 1.00 0.95 O ATOM 1662 CB PHE A 638 7.143 -0.393 -6.982 1.00 0.88 C ATOM 1663 CG PHE A 638 7.922 -1.107 -5.887 1.00 1.06 C ATOM 1664 CD1 PHE A 638 8.670 -2.268 -6.169 1.00 2.26 C ATOM 1665 CD2 PHE A 638 7.848 -0.643 -4.562 1.00 1.65 C ATOM 1666 CE1 PHE A 638 9.406 -2.902 -5.153 1.00 2.49 C ATOM 1667 CE2 PHE A 638 8.578 -1.276 -3.542 1.00 1.71 C ATOM 1668 CZ PHE A 638 9.373 -2.392 -3.845 1.00 1.57 C ATOM 0 H PHE A 638 6.208 0.832 -8.898 1.00 0.76 H new ATOM 0 HA PHE A 638 8.621 1.126 -7.389 1.00 0.79 H new ATOM 0 HB2 PHE A 638 6.421 0.280 -6.520 1.00 0.88 H new ATOM 0 HB3 PHE A 638 6.574 -1.130 -7.549 1.00 0.88 H new ATOM 0 HD1 PHE A 638 8.678 -2.672 -7.170 1.00 2.26 H new ATOM 0 HD2 PHE A 638 7.225 0.207 -4.326 1.00 1.65 H new ATOM 0 HE1 PHE A 638 9.995 -3.779 -5.378 1.00 2.49 H new ATOM 0 HE2 PHE A 638 8.528 -0.905 -2.529 1.00 1.71 H new ATOM 0 HZ PHE A 638 9.961 -2.860 -3.070 1.00 1.57 H new ATOM 1678 N ASN A 639 8.448 -1.320 -9.619 1.00 0.96 N ATOM 1679 CA ASN A 639 9.205 -2.247 -10.457 1.00 1.12 C ATOM 1680 C ASN A 639 10.200 -1.499 -11.380 1.00 1.18 C ATOM 1681 O ASN A 639 11.197 -2.074 -11.818 1.00 1.34 O ATOM 1682 CB ASN A 639 8.171 -3.092 -11.231 1.00 1.16 C ATOM 1683 CG ASN A 639 7.567 -4.242 -10.442 1.00 1.45 C ATOM 1684 OD1 ASN A 639 8.094 -5.348 -10.457 1.00 2.06 O ATOM 1685 ND2 ASN A 639 6.462 -4.076 -9.752 1.00 1.48 N ATOM 0 H ASN A 639 7.447 -1.333 -9.813 1.00 0.96 H new ATOM 0 HA ASN A 639 9.833 -2.903 -9.854 1.00 1.12 H new ATOM 0 HB2 ASN A 639 7.366 -2.438 -11.566 1.00 1.16 H new ATOM 0 HB3 ASN A 639 8.648 -3.494 -12.125 1.00 1.16 H new ATOM 0 HD21 ASN A 639 6.057 -4.860 -9.241 1.00 1.48 H new ATOM 0 HD22 ASN A 639 6.009 -3.163 -9.727 1.00 1.48 H new ATOM 1692 N GLU A 640 9.975 -0.207 -11.635 1.00 1.11 N ATOM 1693 CA GLU A 640 10.889 0.694 -12.349 1.00 1.23 C ATOM 1694 C GLU A 640 12.049 1.254 -11.504 1.00 1.26 C ATOM 1695 O GLU A 640 13.212 1.184 -11.903 1.00 1.56 O ATOM 1696 CB GLU A 640 10.081 1.889 -12.886 1.00 1.23 C ATOM 1697 CG GLU A 640 9.430 1.740 -14.278 1.00 1.86 C ATOM 1698 CD GLU A 640 10.156 0.800 -15.251 1.00 3.14 C ATOM 1699 OE1 GLU A 640 9.892 -0.426 -15.195 1.00 4.62 O ATOM 1700 OE2 GLU A 640 10.961 1.270 -16.093 1.00 3.51 O ATOM 0 H GLU A 640 9.118 0.260 -11.339 1.00 1.11 H new ATOM 0 HA GLU A 640 11.341 0.090 -13.136 1.00 1.23 H new ATOM 0 HB2 GLU A 640 9.292 2.112 -12.168 1.00 1.23 H new ATOM 0 HB3 GLU A 640 10.741 2.756 -12.914 1.00 1.23 H new ATOM 0 HG2 GLU A 640 8.410 1.380 -14.146 1.00 1.86 H new ATOM 0 HG3 GLU A 640 9.363 2.727 -14.736 1.00 1.86 H new ATOM 1707 N VAL A 641 11.751 1.873 -10.360 1.00 0.97 N ATOM 1708 CA VAL A 641 12.732 2.544 -9.473 1.00 0.91 C ATOM 1709 C VAL A 641 13.739 1.563 -8.865 1.00 0.92 C ATOM 1710 O VAL A 641 14.866 1.945 -8.562 1.00 0.93 O ATOM 1711 CB VAL A 641 11.980 3.355 -8.401 1.00 0.84 C ATOM 1712 CG1 VAL A 641 11.038 2.481 -7.592 1.00 0.94 C ATOM 1713 CG2 VAL A 641 12.846 4.124 -7.399 1.00 0.73 C ATOM 0 H VAL A 641 10.796 1.929 -10.006 1.00 0.97 H new ATOM 0 HA VAL A 641 13.329 3.231 -10.073 1.00 0.91 H new ATOM 0 HB VAL A 641 11.448 4.091 -9.004 1.00 0.84 H new ATOM 0 HG11 VAL A 641 10.527 3.090 -6.847 1.00 0.94 H new ATOM 0 HG12 VAL A 641 10.303 2.027 -8.256 1.00 0.94 H new ATOM 0 HG13 VAL A 641 11.608 1.698 -7.092 1.00 0.94 H new ATOM 0 HG21 VAL A 641 12.204 4.655 -6.696 1.00 0.73 H new ATOM 0 HG22 VAL A 641 13.480 3.425 -6.854 1.00 0.73 H new ATOM 0 HG23 VAL A 641 13.470 4.841 -7.933 1.00 0.73 H new ATOM 1723 N LEU A 642 13.382 0.280 -8.759 1.00 0.96 N ATOM 1724 CA LEU A 642 14.284 -0.768 -8.263 1.00 1.02 C ATOM 1725 C LEU A 642 15.576 -0.925 -9.104 1.00 1.16 C ATOM 1726 O LEU A 642 16.621 -1.278 -8.562 1.00 1.23 O ATOM 1727 CB LEU A 642 13.508 -2.103 -8.135 1.00 1.15 C ATOM 1728 CG LEU A 642 13.638 -2.814 -6.769 1.00 1.52 C ATOM 1729 CD1 LEU A 642 13.132 -4.253 -6.881 1.00 1.81 C ATOM 1730 CD2 LEU A 642 15.056 -2.871 -6.203 1.00 2.34 C ATOM 0 H LEU A 642 12.457 -0.064 -9.015 1.00 0.96 H new ATOM 0 HA LEU A 642 14.631 -0.460 -7.277 1.00 1.02 H new ATOM 0 HB2 LEU A 642 12.452 -1.910 -8.327 1.00 1.15 H new ATOM 0 HB3 LEU A 642 13.855 -2.782 -8.914 1.00 1.15 H new ATOM 0 HG LEU A 642 13.040 -2.211 -6.086 1.00 1.52 H new ATOM 0 HD11 LEU A 642 13.227 -4.748 -5.915 1.00 1.81 H new ATOM 0 HD12 LEU A 642 12.085 -4.248 -7.185 1.00 1.81 H new ATOM 0 HD13 LEU A 642 13.723 -4.790 -7.623 1.00 1.81 H new ATOM 0 HD21 LEU A 642 15.044 -3.388 -5.244 1.00 2.34 H new ATOM 0 HD22 LEU A 642 15.703 -3.408 -6.897 1.00 2.34 H new ATOM 0 HD23 LEU A 642 15.433 -1.858 -6.064 1.00 2.34 H new ATOM 1742 N GLU A 643 15.551 -0.604 -10.405 1.00 1.25 N ATOM 1743 CA GLU A 643 16.743 -0.660 -11.277 1.00 1.42 C ATOM 1744 C GLU A 643 17.722 0.522 -11.066 1.00 1.26 C ATOM 1745 O GLU A 643 18.853 0.482 -11.558 1.00 1.29 O ATOM 1746 CB GLU A 643 16.317 -0.797 -12.757 1.00 1.74 C ATOM 1747 CG GLU A 643 15.647 -2.131 -13.110 1.00 2.53 C ATOM 1748 CD GLU A 643 16.286 -2.864 -14.304 1.00 2.86 C ATOM 1749 OE1 GLU A 643 17.515 -3.120 -14.310 1.00 3.80 O ATOM 1750 OE2 GLU A 643 15.584 -3.181 -15.295 1.00 3.06 O ATOM 0 H GLU A 643 14.706 -0.298 -10.887 1.00 1.25 H new ATOM 0 HA GLU A 643 17.305 -1.549 -10.989 1.00 1.42 H new ATOM 0 HB2 GLU A 643 15.631 0.014 -13.000 1.00 1.74 H new ATOM 0 HB3 GLU A 643 17.197 -0.670 -13.388 1.00 1.74 H new ATOM 0 HG2 GLU A 643 15.681 -2.783 -12.238 1.00 2.53 H new ATOM 0 HG3 GLU A 643 14.595 -1.949 -13.331 1.00 2.53 H new ATOM 1757 N GLU A 644 17.353 1.563 -10.309 1.00 1.14 N ATOM 1758 CA GLU A 644 18.266 2.656 -9.933 1.00 1.12 C ATOM 1759 C GLU A 644 19.244 2.269 -8.804 1.00 1.09 C ATOM 1760 O GLU A 644 20.338 2.830 -8.710 1.00 1.13 O ATOM 1761 CB GLU A 644 17.438 3.871 -9.516 1.00 1.10 C ATOM 1762 CG GLU A 644 16.638 4.484 -10.670 1.00 1.16 C ATOM 1763 CD GLU A 644 17.295 5.766 -11.185 1.00 1.37 C ATOM 1764 OE1 GLU A 644 18.223 5.662 -12.024 1.00 1.84 O ATOM 1765 OE2 GLU A 644 16.942 6.880 -10.728 1.00 2.23 O ATOM 0 H GLU A 644 16.410 1.674 -9.937 1.00 1.14 H new ATOM 0 HA GLU A 644 18.880 2.886 -10.804 1.00 1.12 H new ATOM 0 HB2 GLU A 644 16.751 3.579 -8.722 1.00 1.10 H new ATOM 0 HB3 GLU A 644 18.102 4.629 -9.100 1.00 1.10 H new ATOM 0 HG2 GLU A 644 16.558 3.762 -11.483 1.00 1.16 H new ATOM 0 HG3 GLU A 644 15.624 4.702 -10.336 1.00 1.16 H new ATOM 1772 N TYR A 645 18.869 1.291 -7.973 1.00 1.07 N ATOM 1773 CA TYR A 645 19.584 0.890 -6.753 1.00 1.07 C ATOM 1774 C TYR A 645 19.878 -0.628 -6.779 1.00 1.22 C ATOM 1775 O TYR A 645 19.319 -1.383 -5.977 1.00 1.34 O ATOM 1776 CB TYR A 645 18.773 1.332 -5.514 1.00 1.00 C ATOM 1777 CG TYR A 645 18.387 2.806 -5.481 1.00 0.86 C ATOM 1778 CD1 TYR A 645 17.211 3.230 -6.129 1.00 1.72 C ATOM 1779 CD2 TYR A 645 19.192 3.753 -4.813 1.00 2.23 C ATOM 1780 CE1 TYR A 645 16.873 4.595 -6.169 1.00 1.86 C ATOM 1781 CE2 TYR A 645 18.843 5.120 -4.826 1.00 2.14 C ATOM 1782 CZ TYR A 645 17.696 5.546 -5.532 1.00 0.91 C ATOM 1783 OH TYR A 645 17.382 6.865 -5.647 1.00 1.06 O ATOM 0 H TYR A 645 18.029 0.736 -8.136 1.00 1.07 H new ATOM 0 HA TYR A 645 20.552 1.388 -6.700 1.00 1.07 H new ATOM 0 HB2 TYR A 645 17.863 0.734 -5.463 1.00 1.00 H new ATOM 0 HB3 TYR A 645 19.354 1.105 -4.620 1.00 1.00 H new ATOM 0 HD1 TYR A 645 16.565 2.503 -6.598 1.00 1.72 H new ATOM 0 HD2 TYR A 645 20.080 3.430 -4.289 1.00 2.23 H new ATOM 0 HE1 TYR A 645 15.982 4.915 -6.688 1.00 1.86 H new ATOM 0 HE2 TYR A 645 19.451 5.839 -4.297 1.00 2.14 H new ATOM 0 HH TYR A 645 18.038 7.402 -5.155 1.00 1.06 H new ATOM 1793 N PRO A 646 20.699 -1.133 -7.723 1.00 1.25 N ATOM 1794 CA PRO A 646 20.817 -2.565 -8.007 1.00 1.37 C ATOM 1795 C PRO A 646 21.279 -3.450 -6.837 1.00 1.46 C ATOM 1796 O PRO A 646 20.922 -4.632 -6.827 1.00 1.57 O ATOM 1797 CB PRO A 646 21.758 -2.674 -9.211 1.00 1.39 C ATOM 1798 CG PRO A 646 22.545 -1.365 -9.185 1.00 1.31 C ATOM 1799 CD PRO A 646 21.505 -0.375 -8.669 1.00 1.23 C ATOM 0 HA PRO A 646 19.821 -2.960 -8.208 1.00 1.37 H new ATOM 0 HB2 PRO A 646 22.417 -3.538 -9.125 1.00 1.39 H new ATOM 0 HB3 PRO A 646 21.203 -2.788 -10.142 1.00 1.39 H new ATOM 0 HG2 PRO A 646 23.412 -1.424 -8.528 1.00 1.31 H new ATOM 0 HG3 PRO A 646 22.913 -1.091 -10.174 1.00 1.31 H new ATOM 0 HD2 PRO A 646 21.979 0.480 -8.187 1.00 1.23 H new ATOM 0 HD3 PRO A 646 20.895 0.016 -9.483 1.00 1.23 H new ATOM 1807 N MET A 647 21.953 -2.927 -5.796 1.00 1.47 N ATOM 1808 CA MET A 647 22.255 -3.737 -4.604 1.00 1.66 C ATOM 1809 C MET A 647 20.953 -4.198 -3.917 1.00 1.76 C ATOM 1810 O MET A 647 20.894 -5.267 -3.309 1.00 1.99 O ATOM 1811 CB MET A 647 23.170 -2.961 -3.633 1.00 1.74 C ATOM 1812 CG MET A 647 22.326 -2.134 -2.663 1.00 1.69 C ATOM 1813 SD MET A 647 23.127 -0.931 -1.596 1.00 1.78 S ATOM 1814 CE MET A 647 21.542 -0.389 -0.912 1.00 1.53 C ATOM 0 H MET A 647 22.293 -1.966 -5.756 1.00 1.47 H new ATOM 0 HA MET A 647 22.795 -4.630 -4.918 1.00 1.66 H new ATOM 0 HB2 MET A 647 23.798 -3.658 -3.078 1.00 1.74 H new ATOM 0 HB3 MET A 647 23.838 -2.308 -4.194 1.00 1.74 H new ATOM 0 HG2 MET A 647 21.579 -1.602 -3.252 1.00 1.69 H new ATOM 0 HG3 MET A 647 21.788 -2.832 -2.022 1.00 1.69 H new ATOM 0 HE1 MET A 647 21.713 0.398 -0.177 1.00 1.53 H new ATOM 0 HE2 MET A 647 20.912 -0.006 -1.714 1.00 1.53 H new ATOM 0 HE3 MET A 647 21.046 -1.232 -0.432 1.00 1.53 H new ATOM 1824 N MET A 648 19.908 -3.371 -4.016 1.00 1.63 N ATOM 1825 CA MET A 648 18.599 -3.564 -3.413 1.00 1.71 C ATOM 1826 C MET A 648 17.712 -4.443 -4.306 1.00 1.69 C ATOM 1827 O MET A 648 16.802 -5.097 -3.806 1.00 1.65 O ATOM 1828 CB MET A 648 18.013 -2.175 -3.110 1.00 1.79 C ATOM 1829 CG MET A 648 16.734 -2.156 -2.274 1.00 1.52 C ATOM 1830 SD MET A 648 16.684 -3.111 -0.724 1.00 1.97 S ATOM 1831 CE MET A 648 18.170 -2.527 0.138 1.00 2.69 C ATOM 0 H MET A 648 19.962 -2.503 -4.550 1.00 1.63 H new ATOM 0 HA MET A 648 18.668 -4.110 -2.472 1.00 1.71 H new ATOM 0 HB2 MET A 648 18.771 -1.588 -2.592 1.00 1.79 H new ATOM 0 HB3 MET A 648 17.813 -1.673 -4.056 1.00 1.79 H new ATOM 0 HG2 MET A 648 16.516 -1.117 -2.028 1.00 1.52 H new ATOM 0 HG3 MET A 648 15.921 -2.511 -2.907 1.00 1.52 H new ATOM 0 HE1 MET A 648 18.256 -3.033 1.099 1.00 2.69 H new ATOM 0 HE2 MET A 648 19.050 -2.745 -0.467 1.00 2.69 H new ATOM 0 HE3 MET A 648 18.098 -1.451 0.300 1.00 2.69 H new ATOM 1841 N ARG A 649 18.037 -4.559 -5.605 1.00 1.77 N ATOM 1842 CA ARG A 649 17.409 -5.516 -6.530 1.00 1.82 C ATOM 1843 C ARG A 649 17.739 -6.948 -6.117 1.00 1.91 C ATOM 1844 O ARG A 649 16.815 -7.712 -5.856 1.00 2.01 O ATOM 1845 CB ARG A 649 17.779 -5.167 -7.988 1.00 1.81 C ATOM 1846 CG ARG A 649 16.740 -5.628 -9.027 1.00 1.76 C ATOM 1847 CD ARG A 649 16.777 -7.119 -9.390 1.00 1.94 C ATOM 1848 NE ARG A 649 17.913 -7.439 -10.275 1.00 2.96 N ATOM 1849 CZ ARG A 649 17.969 -8.423 -11.155 1.00 3.59 C ATOM 1850 NH1 ARG A 649 17.066 -9.360 -11.234 1.00 3.67 N ATOM 1851 NH2 ARG A 649 18.961 -8.456 -11.992 1.00 4.84 N ATOM 0 H ARG A 649 18.753 -3.983 -6.047 1.00 1.77 H new ATOM 0 HA ARG A 649 16.323 -5.440 -6.474 1.00 1.82 H new ATOM 0 HB2 ARG A 649 17.906 -4.088 -8.071 1.00 1.81 H new ATOM 0 HB3 ARG A 649 18.741 -5.620 -8.226 1.00 1.81 H new ATOM 0 HG2 ARG A 649 15.746 -5.390 -8.650 1.00 1.76 H new ATOM 0 HG3 ARG A 649 16.883 -5.047 -9.938 1.00 1.76 H new ATOM 0 HD2 ARG A 649 16.847 -7.713 -8.479 1.00 1.94 H new ATOM 0 HD3 ARG A 649 15.844 -7.397 -9.881 1.00 1.94 H new ATOM 0 HE ARG A 649 18.736 -6.842 -10.200 1.00 2.96 H new ATOM 0 HH11 ARG A 649 16.269 -9.355 -10.597 1.00 3.67 H new ATOM 0 HH12 ARG A 649 17.156 -10.098 -11.932 1.00 3.67 H new ATOM 0 HH21 ARG A 649 19.678 -7.731 -11.962 1.00 4.84 H new ATOM 0 HH22 ARG A 649 19.023 -9.207 -12.680 1.00 4.84 H new ATOM 1865 N ARG A 650 19.018 -7.302 -5.924 1.00 1.91 N ATOM 1866 CA ARG A 650 19.389 -8.629 -5.367 1.00 2.00 C ATOM 1867 C ARG A 650 18.855 -8.857 -3.947 1.00 2.04 C ATOM 1868 O ARG A 650 18.359 -9.940 -3.645 1.00 2.13 O ATOM 1869 CB ARG A 650 20.900 -8.906 -5.451 1.00 2.06 C ATOM 1870 CG ARG A 650 21.808 -7.930 -4.689 1.00 2.34 C ATOM 1871 CD ARG A 650 23.276 -8.367 -4.728 1.00 2.53 C ATOM 1872 NE ARG A 650 23.874 -8.157 -6.056 1.00 3.33 N ATOM 1873 CZ ARG A 650 24.664 -8.967 -6.733 1.00 4.55 C ATOM 1874 NH1 ARG A 650 24.865 -10.212 -6.420 1.00 5.16 N ATOM 1875 NH2 ARG A 650 25.278 -8.493 -7.777 1.00 5.91 N ATOM 0 H ARG A 650 19.813 -6.700 -6.140 1.00 1.91 H new ATOM 0 HA ARG A 650 18.893 -9.358 -6.008 1.00 2.00 H new ATOM 0 HB2 ARG A 650 21.086 -9.912 -5.075 1.00 2.06 H new ATOM 0 HB3 ARG A 650 21.193 -8.899 -6.501 1.00 2.06 H new ATOM 0 HG2 ARG A 650 21.714 -6.934 -5.121 1.00 2.34 H new ATOM 0 HG3 ARG A 650 21.477 -7.860 -3.653 1.00 2.34 H new ATOM 0 HD2 ARG A 650 23.841 -7.808 -3.982 1.00 2.53 H new ATOM 0 HD3 ARG A 650 23.349 -9.421 -4.459 1.00 2.53 H new ATOM 0 HE ARG A 650 23.649 -7.272 -6.511 1.00 3.33 H new ATOM 0 HH11 ARG A 650 24.398 -10.615 -5.608 1.00 5.16 H new ATOM 0 HH12 ARG A 650 25.490 -10.786 -6.986 1.00 5.16 H new ATOM 0 HH21 ARG A 650 25.141 -7.520 -8.051 1.00 5.91 H new ATOM 0 HH22 ARG A 650 25.896 -9.094 -8.322 1.00 5.91 H new ATOM 1889 N ALA A 651 18.848 -7.804 -3.129 1.00 1.99 N ATOM 1890 CA ALA A 651 18.252 -7.799 -1.793 1.00 2.02 C ATOM 1891 C ALA A 651 16.727 -8.065 -1.811 1.00 2.01 C ATOM 1892 O ALA A 651 16.169 -8.450 -0.781 1.00 2.09 O ATOM 1893 CB ALA A 651 18.579 -6.475 -1.078 1.00 2.09 C ATOM 0 H ALA A 651 19.267 -6.909 -3.383 1.00 1.99 H new ATOM 0 HA ALA A 651 18.693 -8.626 -1.237 1.00 2.02 H new ATOM 0 HB1 ALA A 651 18.132 -6.478 -0.084 1.00 2.09 H new ATOM 0 HB2 ALA A 651 19.660 -6.367 -0.990 1.00 2.09 H new ATOM 0 HB3 ALA A 651 18.177 -5.642 -1.654 1.00 2.09 H new ATOM 1899 N PHE A 652 16.065 -7.883 -2.963 1.00 1.97 N ATOM 1900 CA PHE A 652 14.690 -8.305 -3.246 1.00 1.98 C ATOM 1901 C PHE A 652 14.597 -9.719 -3.850 1.00 2.14 C ATOM 1902 O PHE A 652 13.764 -10.506 -3.409 1.00 2.38 O ATOM 1903 CB PHE A 652 13.997 -7.271 -4.153 1.00 1.90 C ATOM 1904 CG PHE A 652 12.948 -6.462 -3.424 1.00 1.47 C ATOM 1905 CD1 PHE A 652 11.622 -6.932 -3.366 1.00 2.16 C ATOM 1906 CD2 PHE A 652 13.299 -5.266 -2.773 1.00 2.41 C ATOM 1907 CE1 PHE A 652 10.650 -6.209 -2.652 1.00 2.37 C ATOM 1908 CE2 PHE A 652 12.326 -4.541 -2.062 1.00 2.07 C ATOM 1909 CZ PHE A 652 11.004 -5.018 -1.994 1.00 1.25 C ATOM 0 H PHE A 652 16.497 -7.415 -3.760 1.00 1.97 H new ATOM 0 HA PHE A 652 14.171 -8.355 -2.289 1.00 1.98 H new ATOM 0 HB2 PHE A 652 14.747 -6.597 -4.566 1.00 1.90 H new ATOM 0 HB3 PHE A 652 13.533 -7.786 -4.994 1.00 1.90 H new ATOM 0 HD1 PHE A 652 11.351 -7.848 -3.870 1.00 2.16 H new ATOM 0 HD2 PHE A 652 14.316 -4.904 -2.819 1.00 2.41 H new ATOM 0 HE1 PHE A 652 9.632 -6.568 -2.609 1.00 2.37 H new ATOM 0 HE2 PHE A 652 12.593 -3.618 -1.568 1.00 2.07 H new ATOM 0 HZ PHE A 652 10.260 -4.469 -1.436 1.00 1.25 H new ATOM 1919 N GLU A 653 15.459 -10.100 -4.798 1.00 2.09 N ATOM 1920 CA GLU A 653 15.428 -11.431 -5.449 1.00 2.23 C ATOM 1921 C GLU A 653 15.553 -12.612 -4.468 1.00 2.28 C ATOM 1922 O GLU A 653 15.071 -13.714 -4.757 1.00 2.35 O ATOM 1923 CB GLU A 653 16.577 -11.560 -6.466 1.00 2.52 C ATOM 1924 CG GLU A 653 16.468 -10.616 -7.669 1.00 2.00 C ATOM 1925 CD GLU A 653 15.284 -10.905 -8.596 1.00 2.22 C ATOM 1926 OE1 GLU A 653 14.605 -11.955 -8.464 1.00 3.08 O ATOM 1927 OE2 GLU A 653 15.004 -10.043 -9.464 1.00 2.65 O ATOM 0 H GLU A 653 16.205 -9.497 -5.143 1.00 2.09 H new ATOM 0 HA GLU A 653 14.450 -11.486 -5.928 1.00 2.23 H new ATOM 0 HB2 GLU A 653 17.521 -11.370 -5.955 1.00 2.52 H new ATOM 0 HB3 GLU A 653 16.612 -12.588 -6.828 1.00 2.52 H new ATOM 0 HG2 GLU A 653 16.387 -9.592 -7.305 1.00 2.00 H new ATOM 0 HG3 GLU A 653 17.390 -10.677 -8.248 1.00 2.00 H new ATOM 1934 N THR A 654 16.189 -12.364 -3.320 1.00 2.30 N ATOM 1935 CA THR A 654 16.490 -13.323 -2.242 1.00 2.50 C ATOM 1936 C THR A 654 15.356 -13.479 -1.212 1.00 2.61 C ATOM 1937 O THR A 654 15.234 -14.491 -0.521 1.00 3.02 O ATOM 1938 CB THR A 654 17.815 -12.890 -1.602 1.00 2.46 C ATOM 1939 OG1 THR A 654 18.307 -13.913 -0.788 1.00 2.75 O ATOM 1940 CG2 THR A 654 17.703 -11.615 -0.770 1.00 2.26 C ATOM 0 H THR A 654 16.532 -11.429 -3.100 1.00 2.30 H new ATOM 0 HA THR A 654 16.582 -14.322 -2.668 1.00 2.50 H new ATOM 0 HB THR A 654 18.495 -12.681 -2.428 1.00 2.46 H new ATOM 0 HG1 THR A 654 19.154 -13.631 -0.384 1.00 2.75 H new ATOM 0 HG21 THR A 654 18.678 -11.369 -0.348 1.00 2.26 H new ATOM 0 HG22 THR A 654 17.365 -10.795 -1.404 1.00 2.26 H new ATOM 0 HG23 THR A 654 16.987 -11.769 0.037 1.00 2.26 H new ATOM 1948 N VAL A 655 14.470 -12.483 -1.146 1.00 2.36 N ATOM 1949 CA VAL A 655 13.289 -12.439 -0.259 1.00 2.54 C ATOM 1950 C VAL A 655 11.980 -12.701 -1.008 1.00 2.73 C ATOM 1951 O VAL A 655 11.049 -13.293 -0.461 1.00 3.04 O ATOM 1952 CB VAL A 655 13.269 -11.109 0.511 1.00 2.58 C ATOM 1953 CG1 VAL A 655 13.195 -9.885 -0.383 1.00 2.51 C ATOM 1954 CG2 VAL A 655 12.155 -11.056 1.556 1.00 2.89 C ATOM 0 H VAL A 655 14.552 -11.650 -1.728 1.00 2.36 H new ATOM 0 HA VAL A 655 13.373 -13.252 0.462 1.00 2.54 H new ATOM 0 HB VAL A 655 14.231 -11.079 1.022 1.00 2.58 H new ATOM 0 HG11 VAL A 655 13.185 -8.985 0.232 1.00 2.51 H new ATOM 0 HG12 VAL A 655 14.062 -9.863 -1.043 1.00 2.51 H new ATOM 0 HG13 VAL A 655 12.285 -9.926 -0.981 1.00 2.51 H new ATOM 0 HG21 VAL A 655 12.185 -10.096 2.071 1.00 2.89 H new ATOM 0 HG22 VAL A 655 11.189 -11.174 1.065 1.00 2.89 H new ATOM 0 HG23 VAL A 655 12.295 -11.860 2.278 1.00 2.89 H new