USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=35 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 171:sc= -0.0455 (180deg=-0.175) USER MOD Set 1.2: A 648 MET CE :methyl 160:sc= -0.702 (180deg=-1.38) USER MOD Set 2.1: A 559 LYS NZ :NH3+ 176:sc= 1.03 (180deg=0) USER MOD Set 2.2: A 634 SER OG : rot 160:sc= 0.862 USER MOD Set 3.1: A 593 THR OG1 : rot 180:sc= -0.201 USER MOD Set 3.2: A 599 MET CE :methyl 163:sc= -0.424 (180deg=-1.06) USER MOD Set 4.1: A 590 SER OG : rot 129:sc= 1.77 USER MOD Set 4.2: A 600 LYS NZ :NH3+ 152:sc= 0.64 (180deg=0) USER MOD Set 5.1: A 542 MET CE :methyl -147:sc=-0.00352 (180deg=-0.934) USER MOD Set 5.2: A 581 MET CE :methyl 171:sc=-0.00799 (180deg=-0.177) USER MOD Single : A 535 CYS SG : rot 180:sc= 0 USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 SER OG : rot 180:sc= 0 USER MOD Single : A 547 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 551 ASN : amide:sc= 0.89 K(o=0.89,f=0) USER MOD Single : A 554 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 556 MET CE :methyl -171:sc= -0.685 (180deg=-0.987) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ 137:sc= 0.433 (180deg=-0.0043) USER MOD Single : A 566 GLN : amide:sc= -0.0848 K(o=-0.085,f=-0.94) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 180:sc= 0 USER MOD Single : A 579 LYS NZ :NH3+ -164:sc= 1.35 (180deg=1.24) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 TYR OH : rot 180:sc= 0 USER MOD Single : A 585 GLN : amide:sc= 0.243 K(o=0.24,f=-7.5!) USER MOD Single : A 586 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 594 LYS NZ :NH3+ 177:sc= 1.03 (180deg=1.02) USER MOD Single : A 596 ASN : amide:sc= -0.976 K(o=-0.98,f=-2.6!) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 102:sc= 1.25 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot -60:sc= 0.262 USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0.518 USER MOD Single : A 621 SER OG : rot 53:sc= 0.496 USER MOD Single : A 626 THR OG1 : rot 180:sc= 0 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 180:sc= -0.583 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 30:sc= 1.19 USER MOD Single : A 637 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 639 ASN : amide:sc= 1.07 K(o=1.1,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 5.629 11.406 3.100 1.00 1.90 N ATOM 16 CA CYS A 535 5.512 9.936 3.079 1.00 1.82 C ATOM 17 C CYS A 535 6.740 9.082 3.462 1.00 1.34 C ATOM 18 O CYS A 535 6.538 7.906 3.782 1.00 1.31 O ATOM 19 CB CYS A 535 4.915 9.481 1.735 1.00 2.93 C ATOM 20 SG CYS A 535 3.169 9.964 1.612 1.00 3.60 S ATOM 0 HA CYS A 535 4.844 9.733 3.916 1.00 1.82 H new ATOM 0 HB2 CYS A 535 5.478 9.923 0.913 1.00 2.93 H new ATOM 0 HB3 CYS A 535 5.006 8.399 1.639 1.00 2.93 H new ATOM 0 HG CYS A 535 2.690 9.571 0.469 1.00 3.60 H new ATOM 26 N ARG A 536 7.969 9.622 3.477 1.00 1.24 N ATOM 27 CA ARG A 536 9.224 8.886 3.733 1.00 1.15 C ATOM 28 C ARG A 536 9.132 7.959 4.951 1.00 1.12 C ATOM 29 O ARG A 536 9.378 6.760 4.817 1.00 1.18 O ATOM 30 CB ARG A 536 10.401 9.873 3.895 1.00 1.50 C ATOM 31 CG ARG A 536 10.822 10.555 2.579 1.00 2.09 C ATOM 32 CD ARG A 536 11.977 11.559 2.744 1.00 2.28 C ATOM 33 NE ARG A 536 13.205 10.926 3.261 1.00 2.57 N ATOM 34 CZ ARG A 536 14.433 11.407 3.280 1.00 3.32 C ATOM 35 NH1 ARG A 536 14.789 12.532 2.735 1.00 3.96 N ATOM 36 NH2 ARG A 536 15.373 10.724 3.855 1.00 4.32 N ATOM 0 H ARG A 536 8.125 10.615 3.306 1.00 1.24 H new ATOM 0 HA ARG A 536 9.400 8.250 2.866 1.00 1.15 H new ATOM 0 HB2 ARG A 536 10.124 10.639 4.619 1.00 1.50 H new ATOM 0 HB3 ARG A 536 11.257 9.339 4.308 1.00 1.50 H new ATOM 0 HG2 ARG A 536 11.118 9.789 1.862 1.00 2.09 H new ATOM 0 HG3 ARG A 536 9.961 11.072 2.156 1.00 2.09 H new ATOM 0 HD2 ARG A 536 12.190 12.025 1.782 1.00 2.28 H new ATOM 0 HD3 ARG A 536 11.669 12.355 3.422 1.00 2.28 H new ATOM 0 HE ARG A 536 13.089 9.993 3.656 1.00 2.57 H new ATOM 0 HH11 ARG A 536 14.098 13.106 2.252 1.00 3.96 H new ATOM 0 HH12 ARG A 536 15.760 12.841 2.790 1.00 3.96 H new ATOM 0 HH21 ARG A 536 15.159 9.825 4.286 1.00 4.32 H new ATOM 0 HH22 ARG A 536 16.326 11.086 3.876 1.00 4.32 H new ATOM 50 N LYS A 537 8.676 8.471 6.103 1.00 1.15 N ATOM 51 CA LYS A 537 8.614 7.711 7.362 1.00 1.20 C ATOM 52 C LYS A 537 7.613 6.554 7.331 1.00 1.13 C ATOM 53 O LYS A 537 7.833 5.556 8.013 1.00 1.22 O ATOM 54 CB LYS A 537 8.370 8.683 8.534 1.00 1.35 C ATOM 55 CG LYS A 537 6.922 9.197 8.683 1.00 2.36 C ATOM 56 CD LYS A 537 6.106 8.409 9.720 1.00 3.11 C ATOM 57 CE LYS A 537 6.271 9.025 11.114 1.00 3.47 C ATOM 58 NZ LYS A 537 5.816 8.125 12.197 1.00 4.01 N ATOM 0 H LYS A 537 8.338 9.429 6.189 1.00 1.15 H new ATOM 0 HA LYS A 537 9.578 7.222 7.507 1.00 1.20 H new ATOM 0 HB2 LYS A 537 8.657 8.186 9.461 1.00 1.35 H new ATOM 0 HB3 LYS A 537 9.031 9.541 8.414 1.00 1.35 H new ATOM 0 HG2 LYS A 537 6.944 10.248 8.970 1.00 2.36 H new ATOM 0 HG3 LYS A 537 6.421 9.140 7.716 1.00 2.36 H new ATOM 0 HD2 LYS A 537 5.053 8.408 9.439 1.00 3.11 H new ATOM 0 HD3 LYS A 537 6.433 7.369 9.734 1.00 3.11 H new ATOM 0 HE2 LYS A 537 7.320 9.276 11.273 1.00 3.47 H new ATOM 0 HE3 LYS A 537 5.709 9.958 11.163 1.00 3.47 H new ATOM 0 HZ1 LYS A 537 5.951 8.592 13.116 1.00 4.01 H new ATOM 0 HZ2 LYS A 537 4.808 7.905 12.065 1.00 4.01 H new ATOM 0 HZ3 LYS A 537 6.369 7.245 12.172 1.00 4.01 H new ATOM 72 N LEU A 538 6.541 6.674 6.539 1.00 1.08 N ATOM 73 CA LEU A 538 5.463 5.680 6.431 1.00 1.14 C ATOM 74 C LEU A 538 5.799 4.582 5.425 1.00 1.08 C ATOM 75 O LEU A 538 5.675 3.402 5.752 1.00 1.24 O ATOM 76 CB LEU A 538 4.123 6.343 6.046 1.00 1.25 C ATOM 77 CG LEU A 538 3.385 7.083 7.174 1.00 1.30 C ATOM 78 CD1 LEU A 538 2.064 7.640 6.639 1.00 1.97 C ATOM 79 CD2 LEU A 538 3.064 6.171 8.360 1.00 2.54 C ATOM 0 H LEU A 538 6.394 7.486 5.939 1.00 1.08 H new ATOM 0 HA LEU A 538 5.362 5.224 7.416 1.00 1.14 H new ATOM 0 HB2 LEU A 538 4.310 7.049 5.237 1.00 1.25 H new ATOM 0 HB3 LEU A 538 3.461 5.573 5.650 1.00 1.25 H new ATOM 0 HG LEU A 538 4.046 7.878 7.518 1.00 1.30 H new ATOM 0 HD11 LEU A 538 1.540 8.165 7.438 1.00 1.97 H new ATOM 0 HD12 LEU A 538 2.265 8.332 5.821 1.00 1.97 H new ATOM 0 HD13 LEU A 538 1.444 6.820 6.276 1.00 1.97 H new ATOM 0 HD21 LEU A 538 2.543 6.743 9.128 1.00 2.54 H new ATOM 0 HD22 LEU A 538 2.430 5.350 8.026 1.00 2.54 H new ATOM 0 HD23 LEU A 538 3.990 5.770 8.772 1.00 2.54 H new ATOM 91 N VAL A 539 6.264 4.944 4.225 1.00 0.91 N ATOM 92 CA VAL A 539 6.616 3.947 3.201 1.00 0.84 C ATOM 93 C VAL A 539 7.762 3.053 3.699 1.00 0.93 C ATOM 94 O VAL A 539 7.677 1.840 3.564 1.00 1.03 O ATOM 95 CB VAL A 539 6.844 4.617 1.829 1.00 0.71 C ATOM 96 CG1 VAL A 539 8.313 4.855 1.493 1.00 0.73 C ATOM 97 CG2 VAL A 539 6.206 3.778 0.722 1.00 0.72 C ATOM 0 H VAL A 539 6.406 5.912 3.937 1.00 0.91 H new ATOM 0 HA VAL A 539 5.779 3.270 3.033 1.00 0.84 H new ATOM 0 HB VAL A 539 6.372 5.597 1.895 1.00 0.71 H new ATOM 0 HG11 VAL A 539 8.390 5.328 0.514 1.00 0.73 H new ATOM 0 HG12 VAL A 539 8.758 5.505 2.247 1.00 0.73 H new ATOM 0 HG13 VAL A 539 8.842 3.902 1.478 1.00 0.73 H new ATOM 0 HG21 VAL A 539 6.373 4.260 -0.242 1.00 0.72 H new ATOM 0 HG22 VAL A 539 6.655 2.785 0.714 1.00 0.72 H new ATOM 0 HG23 VAL A 539 5.135 3.690 0.903 1.00 0.72 H new ATOM 107 N ALA A 540 8.747 3.614 4.413 1.00 0.99 N ATOM 108 CA ALA A 540 9.824 2.865 5.070 1.00 1.14 C ATOM 109 C ALA A 540 9.384 2.028 6.292 1.00 1.26 C ATOM 110 O ALA A 540 10.158 1.200 6.778 1.00 1.40 O ATOM 111 CB ALA A 540 10.898 3.875 5.485 1.00 1.25 C ATOM 0 H ALA A 540 8.818 4.622 4.552 1.00 0.99 H new ATOM 0 HA ALA A 540 10.195 2.132 4.354 1.00 1.14 H new ATOM 0 HB1 ALA A 540 11.718 3.353 5.978 1.00 1.25 H new ATOM 0 HB2 ALA A 540 11.275 4.389 4.601 1.00 1.25 H new ATOM 0 HB3 ALA A 540 10.467 4.603 6.171 1.00 1.25 H new ATOM 117 N SER A 541 8.171 2.244 6.813 1.00 1.28 N ATOM 118 CA SER A 541 7.631 1.541 7.993 1.00 1.44 C ATOM 119 C SER A 541 7.015 0.183 7.614 1.00 1.41 C ATOM 120 O SER A 541 7.023 -0.776 8.395 1.00 1.56 O ATOM 121 CB SER A 541 6.608 2.448 8.678 1.00 1.61 C ATOM 122 OG SER A 541 6.280 2.044 9.990 1.00 2.57 O ATOM 0 H SER A 541 7.520 2.925 6.422 1.00 1.28 H new ATOM 0 HA SER A 541 8.445 1.325 8.685 1.00 1.44 H new ATOM 0 HB2 SER A 541 7.000 3.465 8.708 1.00 1.61 H new ATOM 0 HB3 SER A 541 5.699 2.474 8.077 1.00 1.61 H new ATOM 0 HG SER A 541 5.624 2.666 10.369 1.00 2.57 H new ATOM 128 N MET A 542 6.510 0.099 6.380 1.00 1.34 N ATOM 129 CA MET A 542 5.967 -1.085 5.729 1.00 1.42 C ATOM 130 C MET A 542 7.050 -2.185 5.599 1.00 1.44 C ATOM 131 O MET A 542 8.163 -1.884 5.158 1.00 1.47 O ATOM 132 CB MET A 542 5.446 -0.595 4.366 1.00 1.50 C ATOM 133 CG MET A 542 4.435 -1.503 3.676 1.00 1.52 C ATOM 134 SD MET A 542 5.089 -3.086 3.098 1.00 2.38 S ATOM 135 CE MET A 542 3.994 -3.435 1.707 1.00 1.58 C ATOM 0 H MET A 542 6.469 0.917 5.771 1.00 1.34 H new ATOM 0 HA MET A 542 5.163 -1.547 6.302 1.00 1.42 H new ATOM 0 HB2 MET A 542 4.990 0.386 4.504 1.00 1.50 H new ATOM 0 HB3 MET A 542 6.298 -0.460 3.700 1.00 1.50 H new ATOM 0 HG2 MET A 542 3.615 -1.698 4.367 1.00 1.52 H new ATOM 0 HG3 MET A 542 4.014 -0.969 2.824 1.00 1.52 H new ATOM 0 HE1 MET A 542 3.846 -4.512 1.622 1.00 1.58 H new ATOM 0 HE2 MET A 542 3.032 -2.948 1.870 1.00 1.58 H new ATOM 0 HE3 MET A 542 4.441 -3.057 0.788 1.00 1.58 H new ATOM 145 N PRO A 543 6.776 -3.460 5.942 1.00 1.50 N ATOM 146 CA PRO A 543 7.807 -4.502 6.071 1.00 1.54 C ATOM 147 C PRO A 543 8.588 -4.813 4.777 1.00 1.44 C ATOM 148 O PRO A 543 9.756 -5.210 4.844 1.00 1.46 O ATOM 149 CB PRO A 543 7.074 -5.734 6.620 1.00 1.73 C ATOM 150 CG PRO A 543 5.609 -5.502 6.258 1.00 1.75 C ATOM 151 CD PRO A 543 5.478 -3.984 6.340 1.00 1.59 C ATOM 0 HA PRO A 543 8.596 -4.155 6.738 1.00 1.54 H new ATOM 0 HB2 PRO A 543 7.452 -6.653 6.172 1.00 1.73 H new ATOM 0 HB3 PRO A 543 7.206 -5.827 7.698 1.00 1.73 H new ATOM 0 HG2 PRO A 543 5.375 -5.875 5.261 1.00 1.75 H new ATOM 0 HG3 PRO A 543 4.936 -6.004 6.953 1.00 1.75 H new ATOM 0 HD2 PRO A 543 4.689 -3.622 5.680 1.00 1.59 H new ATOM 0 HD3 PRO A 543 5.219 -3.666 7.350 1.00 1.59 H new ATOM 159 N LEU A 544 7.999 -4.563 3.603 1.00 1.38 N ATOM 160 CA LEU A 544 8.642 -4.658 2.281 1.00 1.33 C ATOM 161 C LEU A 544 9.790 -3.642 2.103 1.00 1.22 C ATOM 162 O LEU A 544 10.728 -3.882 1.344 1.00 1.24 O ATOM 163 CB LEU A 544 7.514 -4.500 1.240 1.00 1.38 C ATOM 164 CG LEU A 544 7.856 -4.738 -0.241 1.00 1.58 C ATOM 165 CD1 LEU A 544 6.594 -5.216 -0.958 1.00 1.51 C ATOM 166 CD2 LEU A 544 8.262 -3.441 -0.948 1.00 2.75 C ATOM 0 H LEU A 544 7.022 -4.277 3.541 1.00 1.38 H new ATOM 0 HA LEU A 544 9.137 -5.621 2.156 1.00 1.33 H new ATOM 0 HB2 LEU A 544 6.712 -5.186 1.511 1.00 1.38 H new ATOM 0 HB3 LEU A 544 7.115 -3.490 1.332 1.00 1.38 H new ATOM 0 HG LEU A 544 8.674 -5.457 -0.274 1.00 1.58 H new ATOM 0 HD11 LEU A 544 6.817 -5.390 -2.011 1.00 1.51 H new ATOM 0 HD12 LEU A 544 6.246 -6.143 -0.503 1.00 1.51 H new ATOM 0 HD13 LEU A 544 5.817 -4.456 -0.873 1.00 1.51 H new ATOM 0 HD21 LEU A 544 8.495 -3.653 -1.991 1.00 2.75 H new ATOM 0 HD22 LEU A 544 7.440 -2.727 -0.898 1.00 2.75 H new ATOM 0 HD23 LEU A 544 9.140 -3.019 -0.458 1.00 2.75 H new ATOM 178 N PHE A 545 9.779 -2.546 2.864 1.00 1.17 N ATOM 179 CA PHE A 545 10.769 -1.463 2.844 1.00 1.10 C ATOM 180 C PHE A 545 11.634 -1.408 4.122 1.00 1.19 C ATOM 181 O PHE A 545 12.419 -0.474 4.294 1.00 1.16 O ATOM 182 CB PHE A 545 10.051 -0.120 2.647 1.00 1.07 C ATOM 183 CG PHE A 545 9.175 0.058 1.417 1.00 1.02 C ATOM 184 CD1 PHE A 545 7.897 -0.531 1.363 1.00 2.07 C ATOM 185 CD2 PHE A 545 9.567 0.948 0.397 1.00 1.93 C ATOM 186 CE1 PHE A 545 6.999 -0.194 0.337 1.00 2.09 C ATOM 187 CE2 PHE A 545 8.672 1.284 -0.635 1.00 1.94 C ATOM 188 CZ PHE A 545 7.381 0.733 -0.648 1.00 1.07 C ATOM 0 H PHE A 545 9.041 -2.379 3.548 1.00 1.17 H new ATOM 0 HA PHE A 545 11.447 -1.663 2.014 1.00 1.10 H new ATOM 0 HB2 PHE A 545 9.430 0.056 3.525 1.00 1.07 H new ATOM 0 HB3 PHE A 545 10.809 0.663 2.631 1.00 1.07 H new ATOM 0 HD1 PHE A 545 7.605 -1.248 2.117 1.00 2.07 H new ATOM 0 HD2 PHE A 545 10.559 1.374 0.408 1.00 1.93 H new ATOM 0 HE1 PHE A 545 6.018 -0.646 0.305 1.00 2.09 H new ATOM 0 HE2 PHE A 545 8.978 1.965 -1.416 1.00 1.94 H new ATOM 0 HZ PHE A 545 6.680 1.022 -1.417 1.00 1.07 H new ATOM 198 N ALA A 546 11.534 -2.398 5.018 1.00 1.35 N ATOM 199 CA ALA A 546 12.195 -2.429 6.333 1.00 1.55 C ATOM 200 C ALA A 546 13.718 -2.271 6.254 1.00 1.53 C ATOM 201 O ALA A 546 14.383 -1.731 7.142 1.00 1.63 O ATOM 202 CB ALA A 546 11.926 -3.816 6.908 1.00 1.76 C ATOM 0 H ALA A 546 10.971 -3.230 4.843 1.00 1.35 H new ATOM 0 HA ALA A 546 11.808 -1.603 6.930 1.00 1.55 H new ATOM 0 HB1 ALA A 546 12.394 -3.900 7.889 1.00 1.76 H new ATOM 0 HB2 ALA A 546 10.851 -3.968 7.005 1.00 1.76 H new ATOM 0 HB3 ALA A 546 12.340 -4.573 6.242 1.00 1.76 H new ATOM 208 N ASN A 547 14.242 -2.808 5.160 1.00 1.47 N ATOM 209 CA ASN A 547 15.638 -3.010 4.845 1.00 1.56 C ATOM 210 C ASN A 547 16.032 -2.215 3.582 1.00 1.41 C ATOM 211 O ASN A 547 17.103 -2.428 3.011 1.00 1.55 O ATOM 212 CB ASN A 547 15.797 -4.538 4.744 1.00 1.89 C ATOM 213 CG ASN A 547 16.373 -5.118 6.008 1.00 2.31 C ATOM 214 OD1 ASN A 547 17.571 -5.075 6.253 1.00 2.88 O ATOM 215 ND2 ASN A 547 15.547 -5.622 6.881 1.00 2.62 N ATOM 0 H ASN A 547 13.641 -3.141 4.407 1.00 1.47 H new ATOM 0 HA ASN A 547 16.326 -2.628 5.599 1.00 1.56 H new ATOM 0 HB2 ASN A 547 14.827 -4.993 4.543 1.00 1.89 H new ATOM 0 HB3 ASN A 547 16.445 -4.783 3.902 1.00 1.89 H new ATOM 0 HD21 ASN A 547 15.899 -5.981 7.769 1.00 2.62 H new ATOM 0 HD22 ASN A 547 14.548 -5.658 6.677 1.00 2.62 H new ATOM 222 N ALA A 548 15.162 -1.300 3.138 1.00 1.20 N ATOM 223 CA ALA A 548 15.368 -0.482 1.943 1.00 1.10 C ATOM 224 C ALA A 548 16.529 0.523 2.072 1.00 1.13 C ATOM 225 O ALA A 548 16.847 0.997 3.168 1.00 1.23 O ATOM 226 CB ALA A 548 14.067 0.248 1.587 1.00 0.98 C ATOM 0 H ALA A 548 14.279 -1.106 3.610 1.00 1.20 H new ATOM 0 HA ALA A 548 15.651 -1.164 1.141 1.00 1.10 H new ATOM 0 HB1 ALA A 548 14.223 0.857 0.696 1.00 0.98 H new ATOM 0 HB2 ALA A 548 13.281 -0.482 1.394 1.00 0.98 H new ATOM 0 HB3 ALA A 548 13.771 0.889 2.417 1.00 0.98 H new ATOM 232 N ASP A 549 17.116 0.911 0.937 1.00 1.10 N ATOM 233 CA ASP A 549 17.977 2.096 0.855 1.00 1.11 C ATOM 234 C ASP A 549 17.109 3.368 0.946 1.00 1.07 C ATOM 235 O ASP A 549 16.175 3.516 0.152 1.00 0.95 O ATOM 236 CB ASP A 549 18.801 2.069 -0.442 1.00 1.08 C ATOM 237 CG ASP A 549 19.874 3.161 -0.452 1.00 1.28 C ATOM 238 OD1 ASP A 549 19.535 4.352 -0.622 1.00 1.61 O ATOM 239 OD2 ASP A 549 21.064 2.817 -0.255 1.00 2.58 O ATOM 0 H ASP A 549 17.009 0.416 0.052 1.00 1.10 H new ATOM 0 HA ASP A 549 18.679 2.097 1.689 1.00 1.11 H new ATOM 0 HB2 ASP A 549 19.274 1.093 -0.553 1.00 1.08 H new ATOM 0 HB3 ASP A 549 18.138 2.202 -1.297 1.00 1.08 H new ATOM 244 N PRO A 550 17.385 4.308 1.866 1.00 1.20 N ATOM 245 CA PRO A 550 16.518 5.467 2.122 1.00 1.22 C ATOM 246 C PRO A 550 16.363 6.403 0.910 1.00 1.14 C ATOM 247 O PRO A 550 15.414 7.183 0.822 1.00 1.16 O ATOM 248 CB PRO A 550 17.172 6.192 3.300 1.00 1.38 C ATOM 249 CG PRO A 550 18.647 5.816 3.167 1.00 1.43 C ATOM 250 CD PRO A 550 18.565 4.368 2.711 1.00 1.35 C ATOM 0 HA PRO A 550 15.500 5.141 2.335 1.00 1.22 H new ATOM 0 HB2 PRO A 550 17.025 7.270 3.241 1.00 1.38 H new ATOM 0 HB3 PRO A 550 16.758 5.865 4.254 1.00 1.38 H new ATOM 0 HG2 PRO A 550 19.164 6.444 2.441 1.00 1.43 H new ATOM 0 HG3 PRO A 550 19.180 5.916 4.112 1.00 1.43 H new ATOM 0 HD2 PRO A 550 19.460 4.076 2.161 1.00 1.35 H new ATOM 0 HD3 PRO A 550 18.477 3.691 3.561 1.00 1.35 H new ATOM 258 N ASN A 551 17.256 6.295 -0.070 1.00 1.12 N ATOM 259 CA ASN A 551 17.258 7.134 -1.266 1.00 1.08 C ATOM 260 C ASN A 551 16.387 6.514 -2.365 1.00 0.90 C ATOM 261 O ASN A 551 15.685 7.243 -3.066 1.00 0.90 O ATOM 262 CB ASN A 551 18.701 7.338 -1.741 1.00 1.27 C ATOM 263 CG ASN A 551 19.616 7.869 -0.656 1.00 1.54 C ATOM 264 OD1 ASN A 551 19.649 9.056 -0.368 1.00 1.65 O ATOM 265 ND2 ASN A 551 20.354 7.008 0.002 1.00 2.43 N ATOM 0 H ASN A 551 18.012 5.610 -0.056 1.00 1.12 H new ATOM 0 HA ASN A 551 16.830 8.107 -1.027 1.00 1.08 H new ATOM 0 HB2 ASN A 551 19.094 6.389 -2.107 1.00 1.27 H new ATOM 0 HB3 ASN A 551 18.705 8.031 -2.583 1.00 1.27 H new ATOM 0 HD21 ASN A 551 20.959 7.328 0.758 1.00 2.43 H new ATOM 0 HD22 ASN A 551 20.323 6.018 -0.242 1.00 2.43 H new ATOM 272 N PHE A 552 16.363 5.180 -2.447 1.00 0.82 N ATOM 273 CA PHE A 552 15.429 4.400 -3.264 1.00 0.70 C ATOM 274 C PHE A 552 13.984 4.651 -2.818 1.00 0.63 C ATOM 275 O PHE A 552 13.134 4.979 -3.646 1.00 0.60 O ATOM 276 CB PHE A 552 15.802 2.906 -3.162 1.00 0.71 C ATOM 277 CG PHE A 552 14.748 1.939 -3.661 1.00 0.68 C ATOM 278 CD1 PHE A 552 14.574 1.736 -5.040 1.00 2.10 C ATOM 279 CD2 PHE A 552 13.924 1.254 -2.747 1.00 1.77 C ATOM 280 CE1 PHE A 552 13.555 0.890 -5.504 1.00 2.30 C ATOM 281 CE2 PHE A 552 12.917 0.389 -3.212 1.00 1.64 C ATOM 282 CZ PHE A 552 12.726 0.217 -4.593 1.00 0.97 C ATOM 0 H PHE A 552 17.016 4.593 -1.928 1.00 0.82 H new ATOM 0 HA PHE A 552 15.502 4.710 -4.306 1.00 0.70 H new ATOM 0 HB2 PHE A 552 16.720 2.739 -3.725 1.00 0.71 H new ATOM 0 HB3 PHE A 552 16.020 2.673 -2.120 1.00 0.71 H new ATOM 0 HD1 PHE A 552 15.226 2.232 -5.744 1.00 2.10 H new ATOM 0 HD2 PHE A 552 14.066 1.393 -1.685 1.00 1.77 H new ATOM 0 HE1 PHE A 552 13.408 0.756 -6.566 1.00 2.30 H new ATOM 0 HE2 PHE A 552 12.292 -0.142 -2.509 1.00 1.64 H new ATOM 0 HZ PHE A 552 11.942 -0.432 -4.953 1.00 0.97 H new ATOM 292 N VAL A 553 13.708 4.582 -1.506 1.00 0.65 N ATOM 293 CA VAL A 553 12.335 4.783 -0.996 1.00 0.62 C ATOM 294 C VAL A 553 11.827 6.204 -1.237 1.00 0.65 C ATOM 295 O VAL A 553 10.648 6.410 -1.500 1.00 0.67 O ATOM 296 CB VAL A 553 12.147 4.404 0.480 1.00 0.76 C ATOM 297 CG1 VAL A 553 12.822 3.073 0.768 1.00 1.57 C ATOM 298 CG2 VAL A 553 12.674 5.370 1.534 1.00 1.16 C ATOM 0 H VAL A 553 14.404 4.392 -0.785 1.00 0.65 H new ATOM 0 HA VAL A 553 11.732 4.087 -1.579 1.00 0.62 H new ATOM 0 HB VAL A 553 11.061 4.398 0.575 1.00 0.76 H new ATOM 0 HG11 VAL A 553 12.682 2.814 1.818 1.00 1.57 H new ATOM 0 HG12 VAL A 553 12.381 2.298 0.141 1.00 1.57 H new ATOM 0 HG13 VAL A 553 13.888 3.151 0.552 1.00 1.57 H new ATOM 0 HG21 VAL A 553 12.470 4.971 2.528 1.00 1.16 H new ATOM 0 HG22 VAL A 553 13.749 5.496 1.407 1.00 1.16 H new ATOM 0 HG23 VAL A 553 12.180 6.335 1.422 1.00 1.16 H new ATOM 308 N THR A 554 12.740 7.174 -1.188 1.00 0.74 N ATOM 309 CA THR A 554 12.479 8.606 -1.363 1.00 0.83 C ATOM 310 C THR A 554 12.316 8.995 -2.832 1.00 0.85 C ATOM 311 O THR A 554 11.363 9.695 -3.174 1.00 0.88 O ATOM 312 CB THR A 554 13.602 9.447 -0.741 1.00 0.97 C ATOM 313 OG1 THR A 554 13.719 9.207 0.642 1.00 1.03 O ATOM 314 CG2 THR A 554 13.309 10.933 -0.898 1.00 1.09 C ATOM 0 H THR A 554 13.726 6.976 -1.018 1.00 0.74 H new ATOM 0 HA THR A 554 11.538 8.810 -0.852 1.00 0.83 H new ATOM 0 HB THR A 554 14.520 9.166 -1.258 1.00 0.97 H new ATOM 0 HG1 THR A 554 14.059 8.300 0.789 1.00 1.03 H new ATOM 0 HG21 THR A 554 14.117 11.512 -0.451 1.00 1.09 H new ATOM 0 HG22 THR A 554 13.230 11.178 -1.957 1.00 1.09 H new ATOM 0 HG23 THR A 554 12.370 11.174 -0.399 1.00 1.09 H new ATOM 322 N ALA A 555 13.194 8.527 -3.725 1.00 0.87 N ATOM 323 CA ALA A 555 13.133 8.838 -5.161 1.00 0.95 C ATOM 324 C ALA A 555 11.845 8.313 -5.831 1.00 0.94 C ATOM 325 O ALA A 555 11.457 8.757 -6.913 1.00 1.07 O ATOM 326 CB ALA A 555 14.384 8.264 -5.831 1.00 1.02 C ATOM 0 H ALA A 555 13.972 7.918 -3.473 1.00 0.87 H new ATOM 0 HA ALA A 555 13.104 9.921 -5.284 1.00 0.95 H new ATOM 0 HB1 ALA A 555 14.359 8.484 -6.898 1.00 1.02 H new ATOM 0 HB2 ALA A 555 15.273 8.714 -5.389 1.00 1.02 H new ATOM 0 HB3 ALA A 555 14.413 7.184 -5.684 1.00 1.02 H new ATOM 332 N MET A 556 11.170 7.371 -5.172 1.00 0.85 N ATOM 333 CA MET A 556 9.877 6.816 -5.577 1.00 0.89 C ATOM 334 C MET A 556 8.687 7.773 -5.358 1.00 0.88 C ATOM 335 O MET A 556 7.660 7.656 -6.023 1.00 0.96 O ATOM 336 CB MET A 556 9.706 5.541 -4.752 1.00 0.95 C ATOM 337 CG MET A 556 8.690 4.562 -5.331 1.00 0.86 C ATOM 338 SD MET A 556 8.531 3.029 -4.375 1.00 0.89 S ATOM 339 CE MET A 556 10.262 2.599 -4.031 1.00 0.71 C ATOM 0 H MET A 556 11.522 6.957 -4.308 1.00 0.85 H new ATOM 0 HA MET A 556 9.877 6.631 -6.651 1.00 0.89 H new ATOM 0 HB2 MET A 556 10.671 5.041 -4.669 1.00 0.95 H new ATOM 0 HB3 MET A 556 9.400 5.812 -3.742 1.00 0.95 H new ATOM 0 HG2 MET A 556 7.717 5.050 -5.383 1.00 0.86 H new ATOM 0 HG3 MET A 556 8.978 4.315 -6.353 1.00 0.86 H new ATOM 0 HE1 MET A 556 10.309 1.602 -3.593 1.00 0.71 H new ATOM 0 HE2 MET A 556 10.832 2.615 -4.960 1.00 0.71 H new ATOM 0 HE3 MET A 556 10.685 3.322 -3.334 1.00 0.71 H new ATOM 349 N LEU A 557 8.812 8.732 -4.431 1.00 0.83 N ATOM 350 CA LEU A 557 7.704 9.578 -3.954 1.00 0.84 C ATOM 351 C LEU A 557 7.413 10.785 -4.865 1.00 0.88 C ATOM 352 O LEU A 557 6.408 11.475 -4.688 1.00 0.95 O ATOM 353 CB LEU A 557 7.997 10.033 -2.509 1.00 0.84 C ATOM 354 CG LEU A 557 8.472 8.918 -1.559 1.00 0.82 C ATOM 355 CD1 LEU A 557 8.714 9.466 -0.162 1.00 0.91 C ATOM 356 CD2 LEU A 557 7.464 7.773 -1.449 1.00 0.87 C ATOM 0 H LEU A 557 9.702 8.948 -3.982 1.00 0.83 H new ATOM 0 HA LEU A 557 6.799 8.971 -3.979 1.00 0.84 H new ATOM 0 HB2 LEU A 557 8.757 10.814 -2.537 1.00 0.84 H new ATOM 0 HB3 LEU A 557 7.094 10.482 -2.095 1.00 0.84 H new ATOM 0 HG LEU A 557 9.398 8.533 -1.987 1.00 0.82 H new ATOM 0 HD11 LEU A 557 9.049 8.661 0.492 1.00 0.91 H new ATOM 0 HD12 LEU A 557 9.479 10.242 -0.203 1.00 0.91 H new ATOM 0 HD13 LEU A 557 7.788 9.889 0.228 1.00 0.91 H new ATOM 0 HD21 LEU A 557 7.848 7.014 -0.767 1.00 0.87 H new ATOM 0 HD22 LEU A 557 6.517 8.157 -1.068 1.00 0.87 H new ATOM 0 HD23 LEU A 557 7.307 7.331 -2.433 1.00 0.87 H new ATOM 368 N THR A 558 8.279 11.014 -5.854 1.00 0.88 N ATOM 369 CA THR A 558 8.281 12.125 -6.828 1.00 0.98 C ATOM 370 C THR A 558 6.943 12.365 -7.566 1.00 0.90 C ATOM 371 O THR A 558 6.672 13.482 -8.015 1.00 1.08 O ATOM 372 CB THR A 558 9.440 11.858 -7.811 1.00 1.12 C ATOM 373 OG1 THR A 558 9.854 13.025 -8.475 1.00 2.14 O ATOM 374 CG2 THR A 558 9.130 10.794 -8.868 1.00 2.55 C ATOM 0 H THR A 558 9.063 10.381 -6.014 1.00 0.88 H new ATOM 0 HA THR A 558 8.420 13.056 -6.278 1.00 0.98 H new ATOM 0 HB THR A 558 10.240 11.483 -7.173 1.00 1.12 H new ATOM 0 HG1 THR A 558 10.590 12.810 -9.086 1.00 2.14 H new ATOM 0 HG21 THR A 558 9.995 10.665 -9.519 1.00 2.55 H new ATOM 0 HG22 THR A 558 8.902 9.848 -8.376 1.00 2.55 H new ATOM 0 HG23 THR A 558 8.272 11.110 -9.462 1.00 2.55 H new ATOM 382 N LYS A 559 6.071 11.347 -7.661 1.00 0.80 N ATOM 383 CA LYS A 559 4.745 11.397 -8.321 1.00 0.88 C ATOM 384 C LYS A 559 3.545 11.105 -7.404 1.00 1.08 C ATOM 385 O LYS A 559 2.450 10.863 -7.911 1.00 1.29 O ATOM 386 CB LYS A 559 4.745 10.437 -9.532 1.00 1.00 C ATOM 387 CG LYS A 559 4.833 8.941 -9.138 1.00 1.48 C ATOM 388 CD LYS A 559 3.787 8.044 -9.828 1.00 1.52 C ATOM 389 CE LYS A 559 2.357 8.287 -9.325 1.00 2.03 C ATOM 390 NZ LYS A 559 1.377 7.403 -9.993 1.00 2.87 N ATOM 0 H LYS A 559 6.274 10.429 -7.266 1.00 0.80 H new ATOM 0 HA LYS A 559 4.605 12.431 -8.637 1.00 0.88 H new ATOM 0 HB2 LYS A 559 3.837 10.598 -10.113 1.00 1.00 H new ATOM 0 HB3 LYS A 559 5.586 10.683 -10.180 1.00 1.00 H new ATOM 0 HG2 LYS A 559 5.829 8.571 -9.380 1.00 1.48 H new ATOM 0 HG3 LYS A 559 4.715 8.854 -8.058 1.00 1.48 H new ATOM 0 HD2 LYS A 559 3.822 8.218 -10.904 1.00 1.52 H new ATOM 0 HD3 LYS A 559 4.050 6.999 -9.665 1.00 1.52 H new ATOM 0 HE2 LYS A 559 2.319 8.123 -8.248 1.00 2.03 H new ATOM 0 HE3 LYS A 559 2.084 9.328 -9.498 1.00 2.03 H new ATOM 0 HZ1 LYS A 559 0.435 7.552 -9.577 1.00 2.87 H new ATOM 0 HZ2 LYS A 559 1.346 7.624 -11.009 1.00 2.87 H new ATOM 0 HZ3 LYS A 559 1.660 6.411 -9.864 1.00 2.87 H new ATOM 404 N LEU A 560 3.755 10.947 -6.093 1.00 1.07 N ATOM 405 CA LEU A 560 2.878 10.100 -5.282 1.00 1.04 C ATOM 406 C LEU A 560 1.446 10.655 -5.129 1.00 1.02 C ATOM 407 O LEU A 560 1.234 11.867 -5.095 1.00 1.17 O ATOM 408 CB LEU A 560 3.563 9.742 -3.948 1.00 1.13 C ATOM 409 CG LEU A 560 2.934 8.515 -3.264 1.00 0.80 C ATOM 410 CD1 LEU A 560 2.863 7.334 -4.222 1.00 2.04 C ATOM 411 CD2 LEU A 560 3.764 7.999 -2.095 1.00 1.56 C ATOM 0 H LEU A 560 4.516 11.389 -5.577 1.00 1.07 H new ATOM 0 HA LEU A 560 2.725 9.167 -5.825 1.00 1.04 H new ATOM 0 HB2 LEU A 560 4.621 9.549 -4.128 1.00 1.13 H new ATOM 0 HB3 LEU A 560 3.505 10.597 -3.274 1.00 1.13 H new ATOM 0 HG LEU A 560 1.954 8.858 -2.933 1.00 0.80 H new ATOM 0 HD11 LEU A 560 2.415 6.480 -3.714 1.00 2.04 H new ATOM 0 HD12 LEU A 560 2.255 7.602 -5.086 1.00 2.04 H new ATOM 0 HD13 LEU A 560 3.868 7.073 -4.553 1.00 2.04 H new ATOM 0 HD21 LEU A 560 3.271 7.134 -1.653 1.00 1.56 H new ATOM 0 HD22 LEU A 560 4.753 7.710 -2.450 1.00 1.56 H new ATOM 0 HD23 LEU A 560 3.863 8.783 -1.345 1.00 1.56 H new ATOM 423 N LYS A 561 0.458 9.754 -5.079 1.00 0.91 N ATOM 424 CA LYS A 561 -0.963 10.044 -5.345 1.00 0.83 C ATOM 425 C LYS A 561 -1.891 9.727 -4.171 1.00 0.69 C ATOM 426 O LYS A 561 -1.671 8.753 -3.455 1.00 0.63 O ATOM 427 CB LYS A 561 -1.400 9.259 -6.594 1.00 1.22 C ATOM 428 CG LYS A 561 -2.238 10.077 -7.583 1.00 1.33 C ATOM 429 CD LYS A 561 -1.391 10.807 -8.644 1.00 1.76 C ATOM 430 CE LYS A 561 -0.501 11.914 -8.065 1.00 1.74 C ATOM 431 NZ LYS A 561 0.361 12.529 -9.102 1.00 2.28 N ATOM 0 H LYS A 561 0.625 8.775 -4.846 1.00 0.91 H new ATOM 0 HA LYS A 561 -1.049 11.119 -5.505 1.00 0.83 H new ATOM 0 HB2 LYS A 561 -0.512 8.888 -7.106 1.00 1.22 H new ATOM 0 HB3 LYS A 561 -1.975 8.388 -6.280 1.00 1.22 H new ATOM 0 HG2 LYS A 561 -2.944 9.415 -8.085 1.00 1.33 H new ATOM 0 HG3 LYS A 561 -2.826 10.810 -7.031 1.00 1.33 H new ATOM 0 HD2 LYS A 561 -0.763 10.080 -9.159 1.00 1.76 H new ATOM 0 HD3 LYS A 561 -2.055 11.240 -9.392 1.00 1.76 H new ATOM 0 HE2 LYS A 561 -1.127 12.682 -7.611 1.00 1.74 H new ATOM 0 HE3 LYS A 561 0.123 11.501 -7.272 1.00 1.74 H new ATOM 0 HZ1 LYS A 561 0.367 13.562 -8.981 1.00 2.28 H new ATOM 0 HZ2 LYS A 561 1.330 12.164 -9.009 1.00 2.28 H new ATOM 0 HZ3 LYS A 561 -0.009 12.293 -10.045 1.00 2.28 H new ATOM 445 N PHE A 562 -2.942 10.527 -4.009 1.00 0.89 N ATOM 446 CA PHE A 562 -3.828 10.508 -2.834 1.00 0.89 C ATOM 447 C PHE A 562 -5.323 10.341 -3.164 1.00 0.87 C ATOM 448 O PHE A 562 -5.805 10.811 -4.200 1.00 1.00 O ATOM 449 CB PHE A 562 -3.541 11.739 -1.956 1.00 1.13 C ATOM 450 CG PHE A 562 -4.697 12.690 -1.712 1.00 1.22 C ATOM 451 CD1 PHE A 562 -4.951 13.766 -2.582 1.00 2.38 C ATOM 452 CD2 PHE A 562 -5.520 12.489 -0.592 1.00 1.72 C ATOM 453 CE1 PHE A 562 -6.028 14.636 -2.327 1.00 2.63 C ATOM 454 CE2 PHE A 562 -6.589 13.362 -0.333 1.00 1.90 C ATOM 455 CZ PHE A 562 -6.849 14.434 -1.203 1.00 1.85 C ATOM 0 H PHE A 562 -3.213 11.224 -4.703 1.00 0.89 H new ATOM 0 HA PHE A 562 -3.595 9.606 -2.268 1.00 0.89 H new ATOM 0 HB2 PHE A 562 -3.179 11.390 -0.989 1.00 1.13 H new ATOM 0 HB3 PHE A 562 -2.729 12.302 -2.416 1.00 1.13 H new ATOM 0 HD1 PHE A 562 -4.321 13.924 -3.444 1.00 2.38 H new ATOM 0 HD2 PHE A 562 -5.330 11.659 0.073 1.00 1.72 H new ATOM 0 HE1 PHE A 562 -6.224 15.461 -2.996 1.00 2.63 H new ATOM 0 HE2 PHE A 562 -7.212 13.209 0.536 1.00 1.90 H new ATOM 0 HZ PHE A 562 -7.676 15.101 -1.009 1.00 1.85 H new ATOM 465 N GLU A 563 -6.068 9.694 -2.262 1.00 0.77 N ATOM 466 CA GLU A 563 -7.515 9.474 -2.390 1.00 0.78 C ATOM 467 C GLU A 563 -8.250 9.556 -1.036 1.00 0.70 C ATOM 468 O GLU A 563 -7.652 9.362 0.019 1.00 0.70 O ATOM 469 CB GLU A 563 -7.710 8.107 -3.071 1.00 0.82 C ATOM 470 CG GLU A 563 -9.143 7.807 -3.508 1.00 1.53 C ATOM 471 CD GLU A 563 -9.697 8.897 -4.433 1.00 2.25 C ATOM 472 OE1 GLU A 563 -9.242 9.001 -5.599 1.00 2.84 O ATOM 473 OE2 GLU A 563 -10.565 9.680 -3.983 1.00 3.62 O ATOM 0 H GLU A 563 -5.676 9.301 -1.406 1.00 0.77 H new ATOM 0 HA GLU A 563 -7.957 10.266 -2.994 1.00 0.78 H new ATOM 0 HB2 GLU A 563 -7.061 8.056 -3.945 1.00 0.82 H new ATOM 0 HB3 GLU A 563 -7.383 7.325 -2.385 1.00 0.82 H new ATOM 0 HG2 GLU A 563 -9.173 6.846 -4.021 1.00 1.53 H new ATOM 0 HG3 GLU A 563 -9.780 7.719 -2.628 1.00 1.53 H new ATOM 480 N VAL A 564 -9.559 9.827 -1.040 1.00 0.76 N ATOM 481 CA VAL A 564 -10.406 9.869 0.170 1.00 0.74 C ATOM 482 C VAL A 564 -11.619 8.951 0.054 1.00 0.76 C ATOM 483 O VAL A 564 -12.224 8.817 -1.016 1.00 0.85 O ATOM 484 CB VAL A 564 -10.872 11.304 0.488 1.00 0.85 C ATOM 485 CG1 VAL A 564 -11.548 11.452 1.850 1.00 0.87 C ATOM 486 CG2 VAL A 564 -9.692 12.270 0.504 1.00 0.90 C ATOM 0 H VAL A 564 -10.075 10.028 -1.897 1.00 0.76 H new ATOM 0 HA VAL A 564 -9.782 9.511 0.989 1.00 0.74 H new ATOM 0 HB VAL A 564 -11.590 11.531 -0.300 1.00 0.85 H new ATOM 0 HG11 VAL A 564 -11.846 12.490 1.997 1.00 0.87 H new ATOM 0 HG12 VAL A 564 -12.430 10.812 1.890 1.00 0.87 H new ATOM 0 HG13 VAL A 564 -10.851 11.159 2.636 1.00 0.87 H new ATOM 0 HG21 VAL A 564 -10.048 13.275 0.731 1.00 0.90 H new ATOM 0 HG22 VAL A 564 -8.977 11.958 1.265 1.00 0.90 H new ATOM 0 HG23 VAL A 564 -9.207 12.268 -0.472 1.00 0.90 H new ATOM 496 N PHE A 565 -12.026 8.381 1.185 1.00 0.71 N ATOM 497 CA PHE A 565 -13.317 7.719 1.359 1.00 0.74 C ATOM 498 C PHE A 565 -14.111 8.327 2.524 1.00 0.74 C ATOM 499 O PHE A 565 -13.551 8.772 3.526 1.00 0.72 O ATOM 500 CB PHE A 565 -13.101 6.215 1.540 1.00 0.71 C ATOM 501 CG PHE A 565 -12.559 5.493 0.317 1.00 0.79 C ATOM 502 CD1 PHE A 565 -11.184 5.543 -0.003 1.00 1.69 C ATOM 503 CD2 PHE A 565 -13.424 4.684 -0.449 1.00 1.99 C ATOM 504 CE1 PHE A 565 -10.683 4.766 -1.065 1.00 1.73 C ATOM 505 CE2 PHE A 565 -12.914 3.887 -1.489 1.00 2.09 C ATOM 506 CZ PHE A 565 -11.540 3.919 -1.786 1.00 1.09 C ATOM 0 H PHE A 565 -11.452 8.366 2.028 1.00 0.71 H new ATOM 0 HA PHE A 565 -13.917 7.877 0.463 1.00 0.74 H new ATOM 0 HB2 PHE A 565 -12.412 6.059 2.370 1.00 0.71 H new ATOM 0 HB3 PHE A 565 -14.049 5.758 1.823 1.00 0.71 H new ATOM 0 HD1 PHE A 565 -10.519 6.176 0.566 1.00 1.69 H new ATOM 0 HD2 PHE A 565 -14.483 4.677 -0.236 1.00 1.99 H new ATOM 0 HE1 PHE A 565 -9.636 4.822 -1.326 1.00 1.73 H new ATOM 0 HE2 PHE A 565 -13.576 3.252 -2.058 1.00 2.09 H new ATOM 0 HZ PHE A 565 -11.143 3.291 -2.570 1.00 1.09 H new ATOM 516 N GLN A 566 -15.433 8.347 2.366 1.00 0.85 N ATOM 517 CA GLN A 566 -16.416 8.871 3.314 1.00 0.94 C ATOM 518 C GLN A 566 -17.231 7.711 3.947 1.00 1.17 C ATOM 519 O GLN A 566 -17.158 6.577 3.461 1.00 1.20 O ATOM 520 CB GLN A 566 -17.262 9.922 2.566 1.00 0.98 C ATOM 521 CG GLN A 566 -16.524 11.215 2.259 1.00 1.18 C ATOM 522 CD GLN A 566 -15.739 11.189 0.968 1.00 1.61 C ATOM 523 OE1 GLN A 566 -15.880 10.369 0.064 1.00 3.10 O ATOM 524 NE2 GLN A 566 -14.895 12.156 0.794 1.00 1.39 N ATOM 0 H GLN A 566 -15.873 7.976 1.524 1.00 0.85 H new ATOM 0 HA GLN A 566 -15.946 9.367 4.163 1.00 0.94 H new ATOM 0 HB2 GLN A 566 -17.615 9.488 1.631 1.00 0.98 H new ATOM 0 HB3 GLN A 566 -18.144 10.154 3.163 1.00 0.98 H new ATOM 0 HG2 GLN A 566 -17.246 12.031 2.216 1.00 1.18 H new ATOM 0 HG3 GLN A 566 -15.843 11.435 3.081 1.00 1.18 H new ATOM 0 HE21 GLN A 566 -14.758 12.851 1.528 1.00 1.39 H new ATOM 0 HE22 GLN A 566 -14.368 12.222 -0.077 1.00 1.39 H new ATOM 533 N PRO A 567 -17.968 7.934 5.056 1.00 1.36 N ATOM 534 CA PRO A 567 -18.381 6.856 5.961 1.00 1.39 C ATOM 535 C PRO A 567 -19.251 5.762 5.325 1.00 1.40 C ATOM 536 O PRO A 567 -20.221 6.042 4.611 1.00 1.61 O ATOM 537 CB PRO A 567 -19.100 7.531 7.133 1.00 1.58 C ATOM 538 CG PRO A 567 -18.516 8.939 7.140 1.00 1.49 C ATOM 539 CD PRO A 567 -18.270 9.222 5.665 1.00 1.43 C ATOM 0 HA PRO A 567 -17.491 6.310 6.275 1.00 1.39 H new ATOM 0 HB2 PRO A 567 -20.180 7.544 6.988 1.00 1.58 H new ATOM 0 HB3 PRO A 567 -18.911 7.013 8.073 1.00 1.58 H new ATOM 0 HG2 PRO A 567 -19.207 9.659 7.578 1.00 1.49 H new ATOM 0 HG3 PRO A 567 -17.594 8.989 7.719 1.00 1.49 H new ATOM 0 HD2 PRO A 567 -19.146 9.676 5.203 1.00 1.43 H new ATOM 0 HD3 PRO A 567 -17.443 9.920 5.534 1.00 1.43 H new ATOM 547 N GLY A 568 -18.915 4.508 5.628 1.00 1.22 N ATOM 548 CA GLY A 568 -19.619 3.290 5.239 1.00 1.25 C ATOM 549 C GLY A 568 -18.998 2.602 4.024 1.00 1.21 C ATOM 550 O GLY A 568 -19.292 1.435 3.768 1.00 1.42 O ATOM 0 H GLY A 568 -18.088 4.305 6.189 1.00 1.22 H new ATOM 0 HA2 GLY A 568 -19.624 2.596 6.079 1.00 1.25 H new ATOM 0 HA3 GLY A 568 -20.659 3.532 5.020 1.00 1.25 H new ATOM 554 N ASP A 569 -18.124 3.289 3.285 1.00 1.10 N ATOM 555 CA ASP A 569 -17.718 2.864 1.953 1.00 1.15 C ATOM 556 C ASP A 569 -16.569 1.836 1.985 1.00 1.03 C ATOM 557 O ASP A 569 -15.501 2.096 2.545 1.00 0.89 O ATOM 558 CB ASP A 569 -17.411 4.109 1.098 1.00 1.20 C ATOM 559 CG ASP A 569 -17.510 3.891 -0.417 1.00 1.35 C ATOM 560 OD1 ASP A 569 -18.187 2.931 -0.864 1.00 2.01 O ATOM 561 OD2 ASP A 569 -16.982 4.739 -1.178 1.00 1.87 O ATOM 0 H ASP A 569 -17.681 4.153 3.597 1.00 1.10 H new ATOM 0 HA ASP A 569 -18.542 2.328 1.482 1.00 1.15 H new ATOM 0 HB2 ASP A 569 -18.099 4.906 1.382 1.00 1.20 H new ATOM 0 HB3 ASP A 569 -16.406 4.456 1.336 1.00 1.20 H new ATOM 566 N TYR A 570 -16.788 0.659 1.393 1.00 1.20 N ATOM 567 CA TYR A 570 -15.788 -0.417 1.285 1.00 1.24 C ATOM 568 C TYR A 570 -14.594 0.020 0.418 1.00 1.27 C ATOM 569 O TYR A 570 -14.788 0.360 -0.753 1.00 1.41 O ATOM 570 CB TYR A 570 -16.435 -1.694 0.717 1.00 1.45 C ATOM 571 CG TYR A 570 -17.258 -2.507 1.701 1.00 1.56 C ATOM 572 CD1 TYR A 570 -16.603 -3.293 2.669 1.00 2.83 C ATOM 573 CD2 TYR A 570 -18.665 -2.534 1.614 1.00 1.86 C ATOM 574 CE1 TYR A 570 -17.348 -4.084 3.565 1.00 2.97 C ATOM 575 CE2 TYR A 570 -19.412 -3.350 2.488 1.00 2.00 C ATOM 576 CZ TYR A 570 -18.754 -4.126 3.469 1.00 1.94 C ATOM 577 OH TYR A 570 -19.463 -4.932 4.303 1.00 2.17 O ATOM 0 H TYR A 570 -17.682 0.418 0.965 1.00 1.20 H new ATOM 0 HA TYR A 570 -15.412 -0.633 2.285 1.00 1.24 H new ATOM 0 HB2 TYR A 570 -17.075 -1.414 -0.120 1.00 1.45 H new ATOM 0 HB3 TYR A 570 -15.647 -2.332 0.316 1.00 1.45 H new ATOM 0 HD1 TYR A 570 -15.524 -3.289 2.724 1.00 2.83 H new ATOM 0 HD2 TYR A 570 -19.171 -1.929 0.877 1.00 1.86 H new ATOM 0 HE1 TYR A 570 -16.842 -4.659 4.326 1.00 2.97 H new ATOM 0 HE2 TYR A 570 -20.489 -3.382 2.408 1.00 2.00 H new ATOM 0 HH TYR A 570 -20.419 -4.844 4.108 1.00 2.17 H new ATOM 587 N ILE A 571 -13.369 -0.003 0.963 1.00 1.19 N ATOM 588 CA ILE A 571 -12.179 0.604 0.328 1.00 1.21 C ATOM 589 C ILE A 571 -11.450 -0.310 -0.679 1.00 1.34 C ATOM 590 O ILE A 571 -10.666 0.173 -1.504 1.00 1.48 O ATOM 591 CB ILE A 571 -11.228 1.268 1.371 1.00 0.96 C ATOM 592 CG1 ILE A 571 -10.785 0.491 2.624 1.00 0.93 C ATOM 593 CG2 ILE A 571 -11.900 2.482 1.996 1.00 0.83 C ATOM 594 CD1 ILE A 571 -9.918 -0.700 2.312 1.00 1.64 C ATOM 0 H ILE A 571 -13.170 -0.444 1.861 1.00 1.19 H new ATOM 0 HA ILE A 571 -12.567 1.410 -0.294 1.00 1.21 H new ATOM 0 HB ILE A 571 -10.355 1.420 0.736 1.00 0.96 H new ATOM 0 HG12 ILE A 571 -10.241 1.164 3.287 1.00 0.93 H new ATOM 0 HG13 ILE A 571 -11.669 0.156 3.166 1.00 0.93 H new ATOM 0 HG21 ILE A 571 -11.227 2.937 2.722 1.00 0.83 H new ATOM 0 HG22 ILE A 571 -12.138 3.207 1.218 1.00 0.83 H new ATOM 0 HG23 ILE A 571 -12.818 2.173 2.496 1.00 0.83 H new ATOM 0 HD11 ILE A 571 -9.642 -1.202 3.239 1.00 1.64 H new ATOM 0 HD12 ILE A 571 -10.467 -1.393 1.674 1.00 1.64 H new ATOM 0 HD13 ILE A 571 -9.017 -0.369 1.796 1.00 1.64 H new ATOM 606 N ILE A 572 -11.712 -1.621 -0.639 1.00 1.30 N ATOM 607 CA ILE A 572 -11.013 -2.687 -1.364 1.00 1.41 C ATOM 608 C ILE A 572 -11.970 -3.599 -2.142 1.00 1.59 C ATOM 609 O ILE A 572 -12.984 -4.038 -1.598 1.00 1.91 O ATOM 610 CB ILE A 572 -10.176 -3.444 -0.309 1.00 1.57 C ATOM 611 CG1 ILE A 572 -8.870 -2.650 -0.168 1.00 1.74 C ATOM 612 CG2 ILE A 572 -9.893 -4.915 -0.614 1.00 1.95 C ATOM 613 CD1 ILE A 572 -8.013 -2.953 1.065 1.00 1.79 C ATOM 0 H ILE A 572 -12.468 -1.989 -0.061 1.00 1.30 H new ATOM 0 HA ILE A 572 -10.367 -2.274 -2.139 1.00 1.41 H new ATOM 0 HB ILE A 572 -10.753 -3.497 0.614 1.00 1.57 H new ATOM 0 HG12 ILE A 572 -8.264 -2.830 -1.056 1.00 1.74 H new ATOM 0 HG13 ILE A 572 -9.116 -1.588 -0.159 1.00 1.74 H new ATOM 0 HG21 ILE A 572 -9.299 -5.346 0.192 1.00 1.95 H new ATOM 0 HG22 ILE A 572 -10.835 -5.456 -0.700 1.00 1.95 H new ATOM 0 HG23 ILE A 572 -9.343 -4.993 -1.552 1.00 1.95 H new ATOM 0 HD11 ILE A 572 -7.120 -2.329 1.049 1.00 1.79 H new ATOM 0 HD12 ILE A 572 -8.587 -2.743 1.968 1.00 1.79 H new ATOM 0 HD13 ILE A 572 -7.722 -4.003 1.057 1.00 1.79 H new ATOM 625 N ARG A 573 -11.603 -3.918 -3.392 1.00 1.60 N ATOM 626 CA ARG A 573 -12.101 -5.053 -4.189 1.00 1.99 C ATOM 627 C ARG A 573 -11.224 -5.224 -5.436 1.00 1.41 C ATOM 628 O ARG A 573 -11.170 -4.337 -6.291 1.00 1.48 O ATOM 629 CB ARG A 573 -13.584 -4.849 -4.585 1.00 2.81 C ATOM 630 CG ARG A 573 -14.313 -6.150 -4.973 1.00 4.11 C ATOM 631 CD ARG A 573 -14.390 -7.217 -3.863 1.00 5.23 C ATOM 632 NE ARG A 573 -15.002 -6.719 -2.619 1.00 6.21 N ATOM 633 CZ ARG A 573 -15.031 -7.329 -1.449 1.00 7.69 C ATOM 634 NH1 ARG A 573 -14.502 -8.502 -1.255 1.00 8.41 N ATOM 635 NH2 ARG A 573 -15.613 -6.749 -0.444 1.00 8.83 N ATOM 0 H ARG A 573 -10.915 -3.364 -3.902 1.00 1.60 H new ATOM 0 HA ARG A 573 -12.046 -5.958 -3.585 1.00 1.99 H new ATOM 0 HB2 ARG A 573 -14.111 -4.384 -3.752 1.00 2.81 H new ATOM 0 HB3 ARG A 573 -13.633 -4.153 -5.422 1.00 2.81 H new ATOM 0 HG2 ARG A 573 -15.327 -5.900 -5.285 1.00 4.11 H new ATOM 0 HG3 ARG A 573 -13.811 -6.584 -5.838 1.00 4.11 H new ATOM 0 HD2 ARG A 573 -14.964 -8.069 -4.227 1.00 5.23 H new ATOM 0 HD3 ARG A 573 -13.385 -7.579 -3.646 1.00 5.23 H new ATOM 0 HE ARG A 573 -15.452 -5.805 -2.667 1.00 6.21 H new ATOM 0 HH11 ARG A 573 -14.041 -8.987 -2.025 1.00 8.41 H new ATOM 0 HH12 ARG A 573 -14.548 -8.936 -0.333 1.00 8.41 H new ATOM 0 HH21 ARG A 573 -16.042 -5.831 -0.563 1.00 8.83 H new ATOM 0 HH22 ARG A 573 -15.642 -7.211 0.465 1.00 8.83 H new ATOM 649 N GLU A 574 -10.548 -6.358 -5.563 1.00 1.94 N ATOM 650 CA GLU A 574 -9.788 -6.772 -6.753 1.00 1.77 C ATOM 651 C GLU A 574 -10.643 -7.648 -7.705 1.00 2.02 C ATOM 652 O GLU A 574 -11.762 -8.047 -7.369 1.00 2.99 O ATOM 653 CB GLU A 574 -8.489 -7.459 -6.296 1.00 3.10 C ATOM 654 CG GLU A 574 -7.356 -7.390 -7.338 1.00 3.63 C ATOM 655 CD GLU A 574 -6.556 -8.692 -7.406 1.00 4.49 C ATOM 656 OE1 GLU A 574 -7.195 -9.750 -7.626 1.00 4.79 O ATOM 657 OE2 GLU A 574 -5.315 -8.635 -7.227 1.00 5.68 O ATOM 0 H GLU A 574 -10.507 -7.049 -4.813 1.00 1.94 H new ATOM 0 HA GLU A 574 -9.519 -5.896 -7.343 1.00 1.77 H new ATOM 0 HB2 GLU A 574 -8.149 -6.995 -5.370 1.00 3.10 H new ATOM 0 HB3 GLU A 574 -8.701 -8.504 -6.070 1.00 3.10 H new ATOM 0 HG2 GLU A 574 -7.779 -7.173 -8.319 1.00 3.63 H new ATOM 0 HG3 GLU A 574 -6.686 -6.566 -7.091 1.00 3.63 H new ATOM 664 N GLY A 575 -10.135 -7.960 -8.899 1.00 2.03 N ATOM 665 CA GLY A 575 -10.819 -8.787 -9.911 1.00 3.04 C ATOM 666 C GLY A 575 -9.956 -9.173 -11.121 1.00 2.99 C ATOM 667 O GLY A 575 -10.371 -9.975 -11.955 1.00 3.88 O ATOM 0 H GLY A 575 -9.215 -7.640 -9.202 1.00 2.03 H new ATOM 0 HA2 GLY A 575 -11.177 -9.699 -9.433 1.00 3.04 H new ATOM 0 HA3 GLY A 575 -11.697 -8.248 -10.267 1.00 3.04 H new ATOM 671 N THR A 576 -8.743 -8.626 -11.223 1.00 2.13 N ATOM 672 CA THR A 576 -7.742 -8.909 -12.266 1.00 2.14 C ATOM 673 C THR A 576 -6.369 -8.494 -11.748 1.00 1.58 C ATOM 674 O THR A 576 -6.257 -7.653 -10.848 1.00 1.74 O ATOM 675 CB THR A 576 -8.073 -8.230 -13.609 1.00 2.75 C ATOM 676 OG1 THR A 576 -7.144 -8.554 -14.620 1.00 3.08 O ATOM 677 CG2 THR A 576 -8.152 -6.709 -13.535 1.00 3.08 C ATOM 0 H THR A 576 -8.411 -7.938 -10.548 1.00 2.13 H new ATOM 0 HA THR A 576 -7.749 -9.979 -12.474 1.00 2.14 H new ATOM 0 HB THR A 576 -9.060 -8.623 -13.853 1.00 2.75 H new ATOM 0 HG1 THR A 576 -7.396 -8.102 -15.452 1.00 3.08 H new ATOM 0 HG21 THR A 576 -8.389 -6.309 -14.521 1.00 3.08 H new ATOM 0 HG22 THR A 576 -8.930 -6.419 -12.829 1.00 3.08 H new ATOM 0 HG23 THR A 576 -7.194 -6.311 -13.202 1.00 3.08 H new ATOM 685 N ILE A 577 -5.331 -9.118 -12.290 1.00 1.47 N ATOM 686 CA ILE A 577 -3.953 -9.007 -11.796 1.00 1.30 C ATOM 687 C ILE A 577 -3.359 -7.646 -12.199 1.00 1.31 C ATOM 688 O ILE A 577 -3.607 -7.141 -13.298 1.00 1.52 O ATOM 689 CB ILE A 577 -3.106 -10.216 -12.280 1.00 1.63 C ATOM 690 CG1 ILE A 577 -3.390 -11.528 -11.505 1.00 1.94 C ATOM 691 CG2 ILE A 577 -1.591 -9.963 -12.179 1.00 1.90 C ATOM 692 CD1 ILE A 577 -4.827 -12.056 -11.558 1.00 2.16 C ATOM 0 H ILE A 577 -5.419 -9.729 -13.102 1.00 1.47 H new ATOM 0 HA ILE A 577 -3.944 -9.044 -10.707 1.00 1.30 H new ATOM 0 HB ILE A 577 -3.409 -10.330 -13.321 1.00 1.63 H new ATOM 0 HG12 ILE A 577 -2.728 -12.303 -11.891 1.00 1.94 H new ATOM 0 HG13 ILE A 577 -3.122 -11.372 -10.460 1.00 1.94 H new ATOM 0 HG21 ILE A 577 -1.051 -10.842 -12.531 1.00 1.90 H new ATOM 0 HG22 ILE A 577 -1.324 -9.103 -12.793 1.00 1.90 H new ATOM 0 HG23 ILE A 577 -1.324 -9.764 -11.141 1.00 1.90 H new ATOM 0 HD11 ILE A 577 -4.898 -12.977 -10.979 1.00 2.16 H new ATOM 0 HD12 ILE A 577 -5.504 -11.311 -11.140 1.00 2.16 H new ATOM 0 HD13 ILE A 577 -5.103 -12.256 -12.593 1.00 2.16 H new ATOM 704 N GLY A 578 -2.532 -7.077 -11.315 1.00 1.40 N ATOM 705 CA GLY A 578 -1.732 -5.875 -11.582 1.00 1.62 C ATOM 706 C GLY A 578 -2.178 -4.619 -10.821 1.00 1.44 C ATOM 707 O GLY A 578 -1.816 -3.505 -11.215 1.00 1.62 O ATOM 0 H GLY A 578 -2.397 -7.447 -10.374 1.00 1.40 H new ATOM 0 HA2 GLY A 578 -0.693 -6.085 -11.330 1.00 1.62 H new ATOM 0 HA3 GLY A 578 -1.764 -5.665 -12.651 1.00 1.62 H new ATOM 711 N LYS A 579 -2.985 -4.757 -9.761 1.00 1.32 N ATOM 712 CA LYS A 579 -3.492 -3.631 -8.956 1.00 1.27 C ATOM 713 C LYS A 579 -2.389 -3.006 -8.077 1.00 1.11 C ATOM 714 O LYS A 579 -1.353 -3.617 -7.814 1.00 1.22 O ATOM 715 CB LYS A 579 -4.748 -4.088 -8.185 1.00 1.50 C ATOM 716 CG LYS A 579 -5.511 -2.916 -7.552 1.00 2.43 C ATOM 717 CD LYS A 579 -6.923 -3.309 -7.100 1.00 2.55 C ATOM 718 CE LYS A 579 -7.618 -2.071 -6.518 1.00 3.93 C ATOM 719 NZ LYS A 579 -8.983 -2.390 -6.049 1.00 4.42 N ATOM 0 H LYS A 579 -3.310 -5.666 -9.431 1.00 1.32 H new ATOM 0 HA LYS A 579 -3.798 -2.814 -9.609 1.00 1.27 H new ATOM 0 HB2 LYS A 579 -5.411 -4.624 -8.864 1.00 1.50 H new ATOM 0 HB3 LYS A 579 -4.455 -4.790 -7.404 1.00 1.50 H new ATOM 0 HG2 LYS A 579 -4.950 -2.542 -6.696 1.00 2.43 H new ATOM 0 HG3 LYS A 579 -5.577 -2.099 -8.271 1.00 2.43 H new ATOM 0 HD2 LYS A 579 -7.493 -3.701 -7.942 1.00 2.55 H new ATOM 0 HD3 LYS A 579 -6.873 -4.101 -6.352 1.00 2.55 H new ATOM 0 HE2 LYS A 579 -7.030 -1.677 -5.689 1.00 3.93 H new ATOM 0 HE3 LYS A 579 -7.665 -1.289 -7.275 1.00 3.93 H new ATOM 0 HZ1 LYS A 579 -9.519 -1.509 -5.917 1.00 4.42 H new ATOM 0 HZ2 LYS A 579 -9.462 -2.985 -6.755 1.00 4.42 H new ATOM 0 HZ3 LYS A 579 -8.929 -2.901 -5.145 1.00 4.42 H new ATOM 733 N LYS A 580 -2.600 -1.758 -7.653 1.00 1.04 N ATOM 734 CA LYS A 580 -1.596 -0.889 -7.019 1.00 1.02 C ATOM 735 C LYS A 580 -1.485 -1.161 -5.512 1.00 1.03 C ATOM 736 O LYS A 580 -2.270 -1.924 -4.952 1.00 1.19 O ATOM 737 CB LYS A 580 -1.972 0.592 -7.255 1.00 1.13 C ATOM 738 CG LYS A 580 -2.488 0.975 -8.652 1.00 1.66 C ATOM 739 CD LYS A 580 -1.566 0.551 -9.804 1.00 2.95 C ATOM 740 CE LYS A 580 -1.938 1.271 -11.115 1.00 4.24 C ATOM 741 NZ LYS A 580 -3.254 0.838 -11.646 1.00 4.28 N ATOM 0 H LYS A 580 -3.509 -1.304 -7.744 1.00 1.04 H new ATOM 0 HA LYS A 580 -0.628 -1.105 -7.471 1.00 1.02 H new ATOM 0 HB2 LYS A 580 -2.735 0.866 -6.527 1.00 1.13 H new ATOM 0 HB3 LYS A 580 -1.094 1.201 -7.041 1.00 1.13 H new ATOM 0 HG2 LYS A 580 -3.468 0.522 -8.801 1.00 1.66 H new ATOM 0 HG3 LYS A 580 -2.627 2.055 -8.692 1.00 1.66 H new ATOM 0 HD2 LYS A 580 -0.531 0.775 -9.545 1.00 2.95 H new ATOM 0 HD3 LYS A 580 -1.633 -0.527 -9.948 1.00 2.95 H new ATOM 0 HE2 LYS A 580 -1.955 2.347 -10.943 1.00 4.24 H new ATOM 0 HE3 LYS A 580 -1.168 1.080 -11.862 1.00 4.24 H new ATOM 0 HZ1 LYS A 580 -3.458 1.351 -12.528 1.00 4.28 H new ATOM 0 HZ2 LYS A 580 -3.232 -0.184 -11.837 1.00 4.28 H new ATOM 0 HZ3 LYS A 580 -3.995 1.044 -10.946 1.00 4.28 H new ATOM 755 N MET A 581 -0.521 -0.517 -4.855 1.00 1.01 N ATOM 756 CA MET A 581 -0.394 -0.537 -3.385 1.00 1.08 C ATOM 757 C MET A 581 -1.142 0.648 -2.737 1.00 0.99 C ATOM 758 O MET A 581 -1.190 1.728 -3.331 1.00 0.88 O ATOM 759 CB MET A 581 1.100 -0.606 -3.025 1.00 1.22 C ATOM 760 CG MET A 581 1.367 -0.852 -1.535 1.00 1.44 C ATOM 761 SD MET A 581 1.461 0.644 -0.517 1.00 2.18 S ATOM 762 CE MET A 581 1.467 -0.115 1.128 1.00 1.42 C ATOM 0 H MET A 581 0.198 0.036 -5.321 1.00 1.01 H new ATOM 0 HA MET A 581 -0.876 -1.423 -2.973 1.00 1.08 H new ATOM 0 HB2 MET A 581 1.567 -1.402 -3.605 1.00 1.22 H new ATOM 0 HB3 MET A 581 1.579 0.327 -3.321 1.00 1.22 H new ATOM 0 HG2 MET A 581 0.578 -1.493 -1.141 1.00 1.44 H new ATOM 0 HG3 MET A 581 2.303 -1.401 -1.435 1.00 1.44 H new ATOM 0 HE1 MET A 581 1.682 0.645 1.879 1.00 1.42 H new ATOM 0 HE2 MET A 581 0.491 -0.557 1.328 1.00 1.42 H new ATOM 0 HE3 MET A 581 2.232 -0.890 1.168 1.00 1.42 H new ATOM 772 N TYR A 582 -1.723 0.467 -1.540 1.00 1.04 N ATOM 773 CA TYR A 582 -2.493 1.500 -0.815 1.00 0.93 C ATOM 774 C TYR A 582 -2.142 1.563 0.684 1.00 0.91 C ATOM 775 O TYR A 582 -1.879 0.531 1.308 1.00 1.02 O ATOM 776 CB TYR A 582 -4.011 1.280 -0.981 1.00 0.95 C ATOM 777 CG TYR A 582 -4.505 1.195 -2.412 1.00 1.16 C ATOM 778 CD1 TYR A 582 -4.423 -0.019 -3.122 1.00 2.35 C ATOM 779 CD2 TYR A 582 -5.037 2.336 -3.039 1.00 1.99 C ATOM 780 CE1 TYR A 582 -4.820 -0.075 -4.472 1.00 2.65 C ATOM 781 CE2 TYR A 582 -5.429 2.281 -4.390 1.00 2.29 C ATOM 782 CZ TYR A 582 -5.302 1.080 -5.118 1.00 2.03 C ATOM 783 OH TYR A 582 -5.618 1.036 -6.440 1.00 2.55 O ATOM 0 H TYR A 582 -1.672 -0.418 -1.036 1.00 1.04 H new ATOM 0 HA TYR A 582 -2.213 2.454 -1.262 1.00 0.93 H new ATOM 0 HB2 TYR A 582 -4.286 0.360 -0.465 1.00 0.95 H new ATOM 0 HB3 TYR A 582 -4.535 2.095 -0.482 1.00 0.95 H new ATOM 0 HD1 TYR A 582 -4.055 -0.908 -2.631 1.00 2.35 H new ATOM 0 HD2 TYR A 582 -5.145 3.256 -2.483 1.00 1.99 H new ATOM 0 HE1 TYR A 582 -4.755 -1.007 -5.014 1.00 2.65 H new ATOM 0 HE2 TYR A 582 -5.828 3.162 -4.871 1.00 2.29 H new ATOM 0 HH TYR A 582 -5.936 1.916 -6.730 1.00 2.55 H new ATOM 793 N PHE A 583 -2.192 2.752 1.300 1.00 0.79 N ATOM 794 CA PHE A 583 -1.936 2.924 2.738 1.00 0.76 C ATOM 795 C PHE A 583 -2.718 4.074 3.390 1.00 0.66 C ATOM 796 O PHE A 583 -3.192 4.983 2.705 1.00 0.68 O ATOM 797 CB PHE A 583 -0.423 3.000 3.007 1.00 0.96 C ATOM 798 CG PHE A 583 0.369 4.158 2.417 1.00 1.22 C ATOM 799 CD1 PHE A 583 0.957 4.024 1.145 1.00 1.89 C ATOM 800 CD2 PHE A 583 0.661 5.296 3.195 1.00 2.50 C ATOM 801 CE1 PHE A 583 1.891 4.970 0.686 1.00 2.17 C ATOM 802 CE2 PHE A 583 1.593 6.248 2.734 1.00 2.84 C ATOM 803 CZ PHE A 583 2.237 6.066 1.495 1.00 2.10 C ATOM 0 H PHE A 583 -2.411 3.623 0.816 1.00 0.79 H new ATOM 0 HA PHE A 583 -2.328 2.035 3.232 1.00 0.76 H new ATOM 0 HB2 PHE A 583 -0.280 3.019 4.087 1.00 0.96 H new ATOM 0 HB3 PHE A 583 0.024 2.075 2.643 1.00 0.96 H new ATOM 0 HD1 PHE A 583 0.689 3.188 0.516 1.00 1.89 H new ATOM 0 HD2 PHE A 583 0.170 5.439 4.146 1.00 2.50 H new ATOM 0 HE1 PHE A 583 2.342 4.854 -0.288 1.00 2.17 H new ATOM 0 HE2 PHE A 583 1.814 7.119 3.333 1.00 2.84 H new ATOM 0 HZ PHE A 583 2.993 6.765 1.168 1.00 2.10 H new ATOM 813 N ILE A 584 -2.901 4.006 4.717 1.00 0.63 N ATOM 814 CA ILE A 584 -3.766 4.937 5.469 1.00 0.61 C ATOM 815 C ILE A 584 -2.964 6.135 5.981 1.00 0.69 C ATOM 816 O ILE A 584 -2.075 5.967 6.815 1.00 0.71 O ATOM 817 CB ILE A 584 -4.513 4.223 6.627 1.00 0.61 C ATOM 818 CG1 ILE A 584 -5.090 2.868 6.164 1.00 0.56 C ATOM 819 CG2 ILE A 584 -5.640 5.140 7.160 1.00 0.61 C ATOM 820 CD1 ILE A 584 -5.883 2.122 7.232 1.00 0.56 C ATOM 0 H ILE A 584 -2.453 3.302 5.304 1.00 0.63 H new ATOM 0 HA ILE A 584 -4.524 5.308 4.780 1.00 0.61 H new ATOM 0 HB ILE A 584 -3.803 4.023 7.430 1.00 0.61 H new ATOM 0 HG12 ILE A 584 -5.735 3.037 5.302 1.00 0.56 H new ATOM 0 HG13 ILE A 584 -4.270 2.233 5.828 1.00 0.56 H new ATOM 0 HG21 ILE A 584 -6.164 4.638 7.973 1.00 0.61 H new ATOM 0 HG22 ILE A 584 -5.208 6.071 7.527 1.00 0.61 H new ATOM 0 HG23 ILE A 584 -6.343 5.358 6.356 1.00 0.61 H new ATOM 0 HD11 ILE A 584 -6.251 1.182 6.821 1.00 0.56 H new ATOM 0 HD12 ILE A 584 -5.239 1.917 8.087 1.00 0.56 H new ATOM 0 HD13 ILE A 584 -6.727 2.733 7.552 1.00 0.56 H new ATOM 832 N GLN A 585 -3.302 7.352 5.539 1.00 0.79 N ATOM 833 CA GLN A 585 -2.604 8.567 5.975 1.00 0.89 C ATOM 834 C GLN A 585 -3.245 9.126 7.253 1.00 0.93 C ATOM 835 O GLN A 585 -2.573 9.207 8.283 1.00 1.10 O ATOM 836 CB GLN A 585 -2.529 9.554 4.796 1.00 0.96 C ATOM 837 CG GLN A 585 -1.656 10.792 5.056 1.00 1.32 C ATOM 838 CD GLN A 585 -2.361 11.842 5.907 1.00 1.92 C ATOM 839 OE1 GLN A 585 -3.342 12.441 5.498 1.00 3.03 O ATOM 840 NE2 GLN A 585 -1.932 12.053 7.126 1.00 2.28 N ATOM 0 H GLN A 585 -4.059 7.522 4.876 1.00 0.79 H new ATOM 0 HA GLN A 585 -1.573 8.351 6.256 1.00 0.89 H new ATOM 0 HB2 GLN A 585 -2.142 9.029 3.923 1.00 0.96 H new ATOM 0 HB3 GLN A 585 -3.539 9.882 4.549 1.00 0.96 H new ATOM 0 HG2 GLN A 585 -0.736 10.485 5.554 1.00 1.32 H new ATOM 0 HG3 GLN A 585 -1.369 11.236 4.103 1.00 1.32 H new ATOM 0 HE21 GLN A 585 -1.112 11.554 7.472 1.00 2.28 H new ATOM 0 HE22 GLN A 585 -2.418 12.716 7.730 1.00 2.28 H new ATOM 849 N HIS A 586 -4.546 9.428 7.215 1.00 0.87 N ATOM 850 CA HIS A 586 -5.322 9.878 8.379 1.00 0.92 C ATOM 851 C HIS A 586 -6.761 9.334 8.378 1.00 0.84 C ATOM 852 O HIS A 586 -7.525 9.612 7.456 1.00 0.82 O ATOM 853 CB HIS A 586 -5.334 11.416 8.439 1.00 1.01 C ATOM 854 CG HIS A 586 -5.722 11.952 9.795 1.00 1.40 C ATOM 855 ND1 HIS A 586 -6.980 11.974 10.355 1.00 2.78 N ATOM 856 CD2 HIS A 586 -4.865 12.487 10.718 1.00 1.78 C ATOM 857 CE1 HIS A 586 -6.879 12.491 11.592 1.00 2.81 C ATOM 858 NE2 HIS A 586 -5.603 12.827 11.860 1.00 2.11 N ATOM 0 H HIS A 586 -5.101 9.366 6.361 1.00 0.87 H new ATOM 0 HA HIS A 586 -4.833 9.478 9.267 1.00 0.92 H new ATOM 0 HB2 HIS A 586 -4.345 11.792 8.176 1.00 1.01 H new ATOM 0 HB3 HIS A 586 -6.029 11.797 7.691 1.00 1.01 H new ATOM 0 HD2 HIS A 586 -3.802 12.624 10.589 1.00 1.78 H new ATOM 0 HE1 HIS A 586 -7.706 12.619 12.275 1.00 2.81 H new ATOM 0 HE2 HIS A 586 -5.246 13.244 12.720 1.00 2.11 H new ATOM 866 N GLY A 587 -7.146 8.588 9.420 1.00 0.86 N ATOM 867 CA GLY A 587 -8.533 8.255 9.740 1.00 0.91 C ATOM 868 C GLY A 587 -8.628 6.920 10.479 1.00 0.92 C ATOM 869 O GLY A 587 -7.684 6.519 11.173 1.00 1.11 O ATOM 0 H GLY A 587 -6.479 8.189 10.081 1.00 0.86 H new ATOM 0 HA2 GLY A 587 -8.966 9.045 10.354 1.00 0.91 H new ATOM 0 HA3 GLY A 587 -9.119 8.207 8.822 1.00 0.91 H new ATOM 873 N VAL A 588 -9.767 6.239 10.314 1.00 0.80 N ATOM 874 CA VAL A 588 -10.064 4.915 10.883 1.00 0.82 C ATOM 875 C VAL A 588 -10.889 4.084 9.882 1.00 0.72 C ATOM 876 O VAL A 588 -11.702 4.627 9.130 1.00 0.69 O ATOM 877 CB VAL A 588 -10.821 5.044 12.230 1.00 0.94 C ATOM 878 CG1 VAL A 588 -11.141 3.694 12.877 1.00 1.02 C ATOM 879 CG2 VAL A 588 -10.021 5.830 13.275 1.00 1.04 C ATOM 0 H VAL A 588 -10.539 6.607 9.759 1.00 0.80 H new ATOM 0 HA VAL A 588 -9.120 4.405 11.076 1.00 0.82 H new ATOM 0 HB VAL A 588 -11.740 5.563 11.960 1.00 0.94 H new ATOM 0 HG11 VAL A 588 -11.671 3.857 13.816 1.00 1.02 H new ATOM 0 HG12 VAL A 588 -11.767 3.107 12.204 1.00 1.02 H new ATOM 0 HG13 VAL A 588 -10.214 3.155 13.072 1.00 1.02 H new ATOM 0 HG21 VAL A 588 -10.594 5.893 14.200 1.00 1.04 H new ATOM 0 HG22 VAL A 588 -9.076 5.322 13.467 1.00 1.04 H new ATOM 0 HG23 VAL A 588 -9.824 6.835 12.902 1.00 1.04 H new ATOM 889 N VAL A 589 -10.711 2.762 9.880 1.00 0.73 N ATOM 890 CA VAL A 589 -11.546 1.794 9.141 1.00 0.75 C ATOM 891 C VAL A 589 -12.076 0.693 10.066 1.00 0.86 C ATOM 892 O VAL A 589 -11.384 0.283 10.994 1.00 0.92 O ATOM 893 CB VAL A 589 -10.806 1.195 7.926 1.00 0.77 C ATOM 894 CG1 VAL A 589 -10.485 2.278 6.888 1.00 0.80 C ATOM 895 CG2 VAL A 589 -9.517 0.459 8.305 1.00 0.79 C ATOM 0 H VAL A 589 -9.961 2.315 10.407 1.00 0.73 H new ATOM 0 HA VAL A 589 -12.402 2.346 8.753 1.00 0.75 H new ATOM 0 HB VAL A 589 -11.489 0.461 7.498 1.00 0.77 H new ATOM 0 HG11 VAL A 589 -9.964 1.829 6.043 1.00 0.80 H new ATOM 0 HG12 VAL A 589 -11.411 2.736 6.541 1.00 0.80 H new ATOM 0 HG13 VAL A 589 -9.851 3.040 7.341 1.00 0.80 H new ATOM 0 HG21 VAL A 589 -9.046 0.062 7.405 1.00 0.79 H new ATOM 0 HG22 VAL A 589 -8.834 1.151 8.797 1.00 0.79 H new ATOM 0 HG23 VAL A 589 -9.752 -0.361 8.983 1.00 0.79 H new ATOM 905 N SER A 590 -13.275 0.183 9.782 1.00 0.94 N ATOM 906 CA SER A 590 -13.851 -1.018 10.412 1.00 1.17 C ATOM 907 C SER A 590 -13.836 -2.100 9.342 1.00 1.27 C ATOM 908 O SER A 590 -14.117 -1.878 8.162 1.00 1.09 O ATOM 909 CB SER A 590 -15.286 -0.833 10.935 1.00 1.33 C ATOM 910 OG SER A 590 -15.324 0.029 12.060 1.00 1.41 O ATOM 0 H SER A 590 -13.894 0.602 9.088 1.00 0.94 H new ATOM 0 HA SER A 590 -13.259 -1.268 11.292 1.00 1.17 H new ATOM 0 HB2 SER A 590 -15.913 -0.425 10.142 1.00 1.33 H new ATOM 0 HB3 SER A 590 -15.704 -1.803 11.205 1.00 1.33 H new ATOM 0 HG SER A 590 -16.000 0.724 11.917 1.00 1.41 H new ATOM 916 N VAL A 591 -13.328 -3.246 9.740 1.00 1.52 N ATOM 917 CA VAL A 591 -12.517 -4.102 8.904 1.00 1.34 C ATOM 918 C VAL A 591 -12.840 -5.540 9.266 1.00 1.17 C ATOM 919 O VAL A 591 -13.086 -5.832 10.439 1.00 1.17 O ATOM 920 CB VAL A 591 -11.051 -3.709 9.178 1.00 1.63 C ATOM 921 CG1 VAL A 591 -10.742 -3.623 10.655 1.00 3.13 C ATOM 922 CG2 VAL A 591 -10.022 -4.719 8.791 1.00 1.27 C ATOM 0 H VAL A 591 -13.472 -3.617 10.679 1.00 1.52 H new ATOM 0 HA VAL A 591 -12.707 -3.994 7.836 1.00 1.34 H new ATOM 0 HB VAL A 591 -10.991 -2.783 8.606 1.00 1.63 H new ATOM 0 HG11 VAL A 591 -9.698 -3.343 10.793 1.00 3.13 H new ATOM 0 HG12 VAL A 591 -11.383 -2.872 11.118 1.00 3.13 H new ATOM 0 HG13 VAL A 591 -10.923 -4.591 11.121 1.00 3.13 H new ATOM 0 HG21 VAL A 591 -9.029 -4.337 9.029 1.00 1.27 H new ATOM 0 HG22 VAL A 591 -10.196 -5.644 9.340 1.00 1.27 H new ATOM 0 HG23 VAL A 591 -10.089 -4.915 7.721 1.00 1.27 H new ATOM 932 N LEU A 592 -12.770 -6.449 8.301 1.00 1.18 N ATOM 933 CA LEU A 592 -12.738 -7.864 8.615 1.00 1.44 C ATOM 934 C LEU A 592 -11.429 -8.431 8.076 1.00 1.62 C ATOM 935 O LEU A 592 -11.136 -8.290 6.882 1.00 1.53 O ATOM 936 CB LEU A 592 -13.931 -8.620 7.978 1.00 1.72 C ATOM 937 CG LEU A 592 -15.391 -8.244 8.302 1.00 1.78 C ATOM 938 CD1 LEU A 592 -15.669 -8.188 9.798 1.00 1.93 C ATOM 939 CD2 LEU A 592 -15.878 -6.938 7.668 1.00 1.69 C ATOM 0 H LEU A 592 -12.735 -6.231 7.305 1.00 1.18 H new ATOM 0 HA LEU A 592 -12.811 -7.992 9.695 1.00 1.44 H new ATOM 0 HB2 LEU A 592 -13.816 -8.539 6.897 1.00 1.72 H new ATOM 0 HB3 LEU A 592 -13.811 -9.673 8.234 1.00 1.72 H new ATOM 0 HG LEU A 592 -15.955 -9.060 7.849 1.00 1.78 H new ATOM 0 HD11 LEU A 592 -16.712 -7.919 9.964 1.00 1.93 H new ATOM 0 HD12 LEU A 592 -15.471 -9.164 10.242 1.00 1.93 H new ATOM 0 HD13 LEU A 592 -15.023 -7.441 10.260 1.00 1.93 H new ATOM 0 HD21 LEU A 592 -16.915 -6.759 7.954 1.00 1.69 H new ATOM 0 HD22 LEU A 592 -15.258 -6.112 8.016 1.00 1.69 H new ATOM 0 HD23 LEU A 592 -15.808 -7.012 6.583 1.00 1.69 H new ATOM 951 N THR A 593 -10.658 -9.127 8.908 1.00 2.05 N ATOM 952 CA THR A 593 -9.626 -10.030 8.376 1.00 2.34 C ATOM 953 C THR A 593 -10.225 -11.390 8.012 1.00 2.52 C ATOM 954 O THR A 593 -11.054 -11.956 8.740 1.00 2.54 O ATOM 955 CB THR A 593 -8.381 -10.096 9.267 1.00 2.56 C ATOM 956 OG1 THR A 593 -8.697 -10.097 10.643 1.00 2.44 O ATOM 957 CG2 THR A 593 -7.522 -8.870 8.975 1.00 2.66 C ATOM 0 H THR A 593 -10.719 -9.090 9.925 1.00 2.05 H new ATOM 0 HA THR A 593 -9.254 -9.609 7.442 1.00 2.34 H new ATOM 0 HB THR A 593 -7.860 -11.027 9.045 1.00 2.56 H new ATOM 0 HG1 THR A 593 -7.871 -10.142 11.168 1.00 2.44 H new ATOM 0 HG21 THR A 593 -6.628 -8.895 9.599 1.00 2.66 H new ATOM 0 HG22 THR A 593 -7.232 -8.871 7.924 1.00 2.66 H new ATOM 0 HG23 THR A 593 -8.091 -7.966 9.193 1.00 2.66 H new ATOM 965 N LYS A 594 -9.859 -11.913 6.836 1.00 2.70 N ATOM 966 CA LYS A 594 -10.452 -13.144 6.293 1.00 2.91 C ATOM 967 C LYS A 594 -9.934 -14.366 7.046 1.00 3.38 C ATOM 968 O LYS A 594 -8.745 -14.457 7.345 1.00 4.36 O ATOM 969 CB LYS A 594 -10.328 -13.253 4.763 1.00 2.87 C ATOM 970 CG LYS A 594 -8.974 -12.891 4.142 1.00 3.27 C ATOM 971 CD LYS A 594 -8.952 -11.437 3.640 1.00 3.34 C ATOM 972 CE LYS A 594 -7.623 -11.060 2.979 1.00 4.26 C ATOM 973 NZ LYS A 594 -7.387 -11.812 1.723 1.00 4.57 N ATOM 0 H LYS A 594 -9.147 -11.498 6.235 1.00 2.70 H new ATOM 0 HA LYS A 594 -11.527 -13.099 6.465 1.00 2.91 H new ATOM 0 HB2 LYS A 594 -10.568 -14.277 4.477 1.00 2.87 H new ATOM 0 HB3 LYS A 594 -11.087 -12.611 4.316 1.00 2.87 H new ATOM 0 HG2 LYS A 594 -8.185 -13.034 4.880 1.00 3.27 H new ATOM 0 HG3 LYS A 594 -8.761 -13.566 3.313 1.00 3.27 H new ATOM 0 HD2 LYS A 594 -9.762 -11.291 2.926 1.00 3.34 H new ATOM 0 HD3 LYS A 594 -9.140 -10.765 4.477 1.00 3.34 H new ATOM 0 HE2 LYS A 594 -7.615 -9.991 2.767 1.00 4.26 H new ATOM 0 HE3 LYS A 594 -6.806 -11.253 3.674 1.00 4.26 H new ATOM 0 HZ1 LYS A 594 -6.501 -11.487 1.285 1.00 4.57 H new ATOM 0 HZ2 LYS A 594 -7.317 -12.828 1.935 1.00 4.57 H new ATOM 0 HZ3 LYS A 594 -8.177 -11.649 1.067 1.00 4.57 H new ATOM 987 N GLY A 595 -10.851 -15.251 7.435 1.00 3.25 N ATOM 988 CA GLY A 595 -10.611 -16.281 8.453 1.00 3.63 C ATOM 989 C GLY A 595 -10.841 -15.841 9.897 1.00 3.60 C ATOM 990 O GLY A 595 -10.848 -16.694 10.787 1.00 3.94 O ATOM 0 H GLY A 595 -11.795 -15.276 7.049 1.00 3.25 H new ATOM 0 HA2 GLY A 595 -11.258 -17.133 8.243 1.00 3.63 H new ATOM 0 HA3 GLY A 595 -9.583 -16.630 8.357 1.00 3.63 H new ATOM 994 N ASN A 596 -10.943 -14.531 10.149 1.00 3.24 N ATOM 995 CA ASN A 596 -10.451 -13.940 11.391 1.00 3.20 C ATOM 996 C ASN A 596 -11.456 -12.920 11.977 1.00 3.02 C ATOM 997 O ASN A 596 -12.639 -13.237 12.128 1.00 3.31 O ATOM 998 CB ASN A 596 -9.081 -13.308 11.089 1.00 3.04 C ATOM 999 CG ASN A 596 -8.012 -14.145 10.422 1.00 3.30 C ATOM 1000 OD1 ASN A 596 -8.026 -15.364 10.401 1.00 3.68 O ATOM 1001 ND2 ASN A 596 -7.000 -13.498 9.907 1.00 3.22 N ATOM 0 H ASN A 596 -11.364 -13.861 9.505 1.00 3.24 H new ATOM 0 HA ASN A 596 -10.341 -14.705 12.159 1.00 3.20 H new ATOM 0 HB2 ASN A 596 -9.254 -12.435 10.460 1.00 3.04 H new ATOM 0 HB3 ASN A 596 -8.672 -12.945 12.032 1.00 3.04 H new ATOM 0 HD21 ASN A 596 -6.225 -14.013 9.489 1.00 3.22 H new ATOM 0 HD22 ASN A 596 -6.985 -12.478 9.923 1.00 3.22 H new ATOM 1008 N LYS A 597 -11.001 -11.716 12.371 1.00 2.74 N ATOM 1009 CA LYS A 597 -11.705 -10.827 13.307 1.00 2.69 C ATOM 1010 C LYS A 597 -12.480 -9.689 12.648 1.00 1.90 C ATOM 1011 O LYS A 597 -12.006 -9.095 11.682 1.00 1.72 O ATOM 1012 CB LYS A 597 -10.738 -10.264 14.372 1.00 3.20 C ATOM 1013 CG LYS A 597 -10.401 -11.212 15.539 1.00 3.86 C ATOM 1014 CD LYS A 597 -9.560 -12.454 15.211 1.00 3.88 C ATOM 1015 CE LYS A 597 -8.193 -12.159 14.586 1.00 4.57 C ATOM 1016 NZ LYS A 597 -7.249 -11.565 15.562 1.00 5.55 N ATOM 0 H LYS A 597 -10.117 -11.329 12.040 1.00 2.74 H new ATOM 0 HA LYS A 597 -12.454 -11.461 13.782 1.00 2.69 H new ATOM 0 HB2 LYS A 597 -9.808 -9.981 13.878 1.00 3.20 H new ATOM 0 HB3 LYS A 597 -11.171 -9.352 14.783 1.00 3.20 H new ATOM 0 HG2 LYS A 597 -9.873 -10.637 16.300 1.00 3.86 H new ATOM 0 HG3 LYS A 597 -11.338 -11.546 15.985 1.00 3.86 H new ATOM 0 HD2 LYS A 597 -9.409 -13.025 16.127 1.00 3.88 H new ATOM 0 HD3 LYS A 597 -10.126 -13.089 14.529 1.00 3.88 H new ATOM 0 HE2 LYS A 597 -7.770 -13.082 14.189 1.00 4.57 H new ATOM 0 HE3 LYS A 597 -8.319 -11.478 13.744 1.00 4.57 H new ATOM 0 HZ1 LYS A 597 -6.337 -11.382 15.096 1.00 5.55 H new ATOM 0 HZ2 LYS A 597 -7.639 -10.671 15.923 1.00 5.55 H new ATOM 0 HZ3 LYS A 597 -7.107 -12.225 16.353 1.00 5.55 H new ATOM 1030 N GLU A 598 -13.614 -9.324 13.258 1.00 1.80 N ATOM 1031 CA GLU A 598 -14.254 -8.022 13.048 1.00 1.56 C ATOM 1032 C GLU A 598 -13.588 -6.962 13.938 1.00 1.51 C ATOM 1033 O GLU A 598 -13.610 -7.002 15.171 1.00 1.67 O ATOM 1034 CB GLU A 598 -15.788 -8.056 13.193 1.00 2.09 C ATOM 1035 CG GLU A 598 -16.259 -8.245 14.640 1.00 2.71 C ATOM 1036 CD GLU A 598 -17.633 -8.915 14.761 1.00 3.54 C ATOM 1037 OE1 GLU A 598 -18.675 -8.206 14.790 1.00 3.73 O ATOM 1038 OE2 GLU A 598 -17.667 -10.168 14.865 1.00 4.76 O ATOM 0 H GLU A 598 -14.114 -9.926 13.913 1.00 1.80 H new ATOM 0 HA GLU A 598 -14.094 -7.741 12.007 1.00 1.56 H new ATOM 0 HB2 GLU A 598 -16.203 -7.127 12.802 1.00 2.09 H new ATOM 0 HB3 GLU A 598 -16.186 -8.865 12.581 1.00 2.09 H new ATOM 0 HG2 GLU A 598 -15.524 -8.845 15.176 1.00 2.71 H new ATOM 0 HG3 GLU A 598 -16.295 -7.272 15.131 1.00 2.71 H new ATOM 1045 N MET A 599 -12.903 -6.049 13.275 1.00 1.44 N ATOM 1046 CA MET A 599 -11.801 -5.267 13.799 1.00 1.39 C ATOM 1047 C MET A 599 -11.921 -3.791 13.414 1.00 1.46 C ATOM 1048 O MET A 599 -12.841 -3.395 12.688 1.00 1.99 O ATOM 1049 CB MET A 599 -10.549 -6.034 13.362 1.00 1.43 C ATOM 1050 CG MET A 599 -9.202 -5.387 13.655 1.00 2.34 C ATOM 1051 SD MET A 599 -7.805 -6.518 13.470 1.00 2.47 S ATOM 1052 CE MET A 599 -8.173 -7.144 11.814 1.00 2.06 C ATOM 0 H MET A 599 -13.113 -5.821 12.303 1.00 1.44 H new ATOM 0 HA MET A 599 -11.775 -5.176 14.885 1.00 1.39 H new ATOM 0 HB2 MET A 599 -10.566 -7.012 13.843 1.00 1.43 H new ATOM 0 HB3 MET A 599 -10.615 -6.206 12.288 1.00 1.43 H new ATOM 0 HG2 MET A 599 -9.063 -4.537 12.987 1.00 2.34 H new ATOM 0 HG3 MET A 599 -9.210 -4.995 14.672 1.00 2.34 H new ATOM 0 HE1 MET A 599 -7.284 -7.618 11.398 1.00 2.06 H new ATOM 0 HE2 MET A 599 -8.980 -7.874 11.872 1.00 2.06 H new ATOM 0 HE3 MET A 599 -8.477 -6.317 11.172 1.00 2.06 H new ATOM 1062 N LYS A 600 -11.000 -2.975 13.926 1.00 1.09 N ATOM 1063 CA LYS A 600 -10.592 -1.675 13.462 1.00 1.00 C ATOM 1064 C LYS A 600 -9.126 -1.614 13.009 1.00 0.98 C ATOM 1065 O LYS A 600 -8.256 -2.270 13.580 1.00 1.08 O ATOM 1066 CB LYS A 600 -10.817 -0.726 14.658 1.00 1.06 C ATOM 1067 CG LYS A 600 -11.429 0.606 14.274 1.00 1.09 C ATOM 1068 CD LYS A 600 -12.923 0.513 13.955 1.00 1.38 C ATOM 1069 CE LYS A 600 -13.757 0.146 15.188 1.00 1.82 C ATOM 1070 NZ LYS A 600 -15.196 0.448 14.997 1.00 2.33 N ATOM 0 H LYS A 600 -10.477 -3.247 14.758 1.00 1.09 H new ATOM 0 HA LYS A 600 -11.170 -1.402 12.579 1.00 1.00 H new ATOM 0 HB2 LYS A 600 -11.465 -1.218 15.383 1.00 1.06 H new ATOM 0 HB3 LYS A 600 -9.862 -0.548 15.153 1.00 1.06 H new ATOM 0 HG2 LYS A 600 -11.281 1.315 15.089 1.00 1.09 H new ATOM 0 HG3 LYS A 600 -10.903 1.004 13.406 1.00 1.09 H new ATOM 0 HD2 LYS A 600 -13.268 1.467 13.556 1.00 1.38 H new ATOM 0 HD3 LYS A 600 -13.081 -0.233 13.177 1.00 1.38 H new ATOM 0 HE2 LYS A 600 -13.635 -0.915 15.405 1.00 1.82 H new ATOM 0 HE3 LYS A 600 -13.384 0.693 16.054 1.00 1.82 H new ATOM 0 HZ1 LYS A 600 -15.767 -0.199 15.578 1.00 2.33 H new ATOM 0 HZ2 LYS A 600 -15.386 1.430 15.283 1.00 2.33 H new ATOM 0 HZ3 LYS A 600 -15.446 0.325 13.995 1.00 2.33 H new ATOM 1084 N LEU A 601 -8.856 -0.766 12.017 1.00 0.90 N ATOM 1085 CA LEU A 601 -7.512 -0.330 11.613 1.00 0.90 C ATOM 1086 C LEU A 601 -7.438 1.205 11.673 1.00 0.87 C ATOM 1087 O LEU A 601 -8.418 1.894 11.385 1.00 0.81 O ATOM 1088 CB LEU A 601 -7.147 -0.869 10.209 1.00 0.92 C ATOM 1089 CG LEU A 601 -5.983 -1.872 10.157 1.00 0.92 C ATOM 1090 CD1 LEU A 601 -6.390 -3.210 10.767 1.00 0.90 C ATOM 1091 CD2 LEU A 601 -5.604 -2.134 8.698 1.00 0.97 C ATOM 0 H LEU A 601 -9.592 -0.346 11.449 1.00 0.90 H new ATOM 0 HA LEU A 601 -6.777 -0.742 12.305 1.00 0.90 H new ATOM 0 HB2 LEU A 601 -8.030 -1.344 9.783 1.00 0.92 H new ATOM 0 HB3 LEU A 601 -6.900 -0.022 9.569 1.00 0.92 H new ATOM 0 HG LEU A 601 -5.149 -1.447 10.716 1.00 0.92 H new ATOM 0 HD11 LEU A 601 -5.550 -3.903 10.718 1.00 0.90 H new ATOM 0 HD12 LEU A 601 -6.679 -3.063 11.808 1.00 0.90 H new ATOM 0 HD13 LEU A 601 -7.232 -3.622 10.211 1.00 0.90 H new ATOM 0 HD21 LEU A 601 -4.779 -2.845 8.658 1.00 0.97 H new ATOM 0 HD22 LEU A 601 -6.463 -2.545 8.167 1.00 0.97 H new ATOM 0 HD23 LEU A 601 -5.300 -1.199 8.227 1.00 0.97 H new ATOM 1103 N SER A 602 -6.272 1.739 12.027 1.00 0.97 N ATOM 1104 CA SER A 602 -6.043 3.176 12.263 1.00 1.00 C ATOM 1105 C SER A 602 -4.915 3.762 11.404 1.00 1.01 C ATOM 1106 O SER A 602 -4.170 3.044 10.732 1.00 1.03 O ATOM 1107 CB SER A 602 -5.829 3.439 13.762 1.00 1.11 C ATOM 1108 OG SER A 602 -4.867 2.568 14.330 1.00 1.70 O ATOM 0 H SER A 602 -5.433 1.175 12.163 1.00 0.97 H new ATOM 0 HA SER A 602 -6.942 3.703 11.944 1.00 1.00 H new ATOM 0 HB2 SER A 602 -5.510 4.471 13.905 1.00 1.11 H new ATOM 0 HB3 SER A 602 -6.777 3.322 14.288 1.00 1.11 H new ATOM 0 HG SER A 602 -4.763 2.773 15.283 1.00 1.70 H new ATOM 1114 N ASP A 603 -4.811 5.092 11.391 1.00 1.10 N ATOM 1115 CA ASP A 603 -3.849 5.865 10.599 1.00 1.20 C ATOM 1116 C ASP A 603 -2.395 5.355 10.709 1.00 1.22 C ATOM 1117 O ASP A 603 -1.944 4.936 11.777 1.00 1.26 O ATOM 1118 CB ASP A 603 -3.969 7.347 10.990 1.00 1.41 C ATOM 1119 CG ASP A 603 -3.384 7.672 12.365 1.00 1.46 C ATOM 1120 OD1 ASP A 603 -4.061 7.422 13.393 1.00 2.77 O ATOM 1121 OD2 ASP A 603 -2.230 8.164 12.408 1.00 1.95 O ATOM 0 H ASP A 603 -5.419 5.686 11.955 1.00 1.10 H new ATOM 0 HA ASP A 603 -4.101 5.735 9.546 1.00 1.20 H new ATOM 0 HB2 ASP A 603 -3.464 7.953 10.238 1.00 1.41 H new ATOM 0 HB3 ASP A 603 -5.021 7.633 10.976 1.00 1.41 H new ATOM 1126 N GLY A 604 -1.651 5.362 9.602 1.00 1.24 N ATOM 1127 CA GLY A 604 -0.304 4.782 9.514 1.00 1.33 C ATOM 1128 C GLY A 604 -0.254 3.255 9.325 1.00 1.26 C ATOM 1129 O GLY A 604 0.839 2.700 9.201 1.00 1.43 O ATOM 0 H GLY A 604 -1.970 5.776 8.726 1.00 1.24 H new ATOM 0 HA2 GLY A 604 0.222 5.251 8.683 1.00 1.33 H new ATOM 0 HA3 GLY A 604 0.243 5.037 10.422 1.00 1.33 H new ATOM 1133 N SER A 605 -1.409 2.580 9.274 1.00 1.11 N ATOM 1134 CA SER A 605 -1.543 1.202 8.773 1.00 1.02 C ATOM 1135 C SER A 605 -1.516 1.164 7.239 1.00 1.01 C ATOM 1136 O SER A 605 -1.685 2.193 6.582 1.00 1.00 O ATOM 1137 CB SER A 605 -2.864 0.579 9.239 1.00 0.85 C ATOM 1138 OG SER A 605 -3.011 0.631 10.645 1.00 0.96 O ATOM 0 H SER A 605 -2.294 2.981 9.585 1.00 1.11 H new ATOM 0 HA SER A 605 -0.700 0.637 9.171 1.00 1.02 H new ATOM 0 HB2 SER A 605 -3.697 1.102 8.768 1.00 0.85 H new ATOM 0 HB3 SER A 605 -2.911 -0.459 8.908 1.00 0.85 H new ATOM 0 HG SER A 605 -3.625 1.357 10.883 1.00 0.96 H new ATOM 1144 N TYR A 606 -1.382 -0.023 6.644 1.00 1.03 N ATOM 1145 CA TYR A 606 -1.461 -0.197 5.187 1.00 1.07 C ATOM 1146 C TYR A 606 -2.349 -1.369 4.743 1.00 1.10 C ATOM 1147 O TYR A 606 -2.751 -2.213 5.548 1.00 1.29 O ATOM 1148 CB TYR A 606 -0.053 -0.276 4.585 1.00 1.16 C ATOM 1149 CG TYR A 606 0.631 -1.609 4.787 1.00 1.11 C ATOM 1150 CD1 TYR A 606 1.256 -1.897 6.011 1.00 2.05 C ATOM 1151 CD2 TYR A 606 0.596 -2.572 3.763 1.00 2.40 C ATOM 1152 CE1 TYR A 606 1.865 -3.156 6.206 1.00 2.40 C ATOM 1153 CE2 TYR A 606 1.196 -3.831 3.954 1.00 3.14 C ATOM 1154 CZ TYR A 606 1.839 -4.125 5.176 1.00 2.63 C ATOM 1155 OH TYR A 606 2.436 -5.332 5.359 1.00 3.52 O ATOM 0 H TYR A 606 -1.216 -0.890 7.154 1.00 1.03 H new ATOM 0 HA TYR A 606 -1.962 0.688 4.793 1.00 1.07 H new ATOM 0 HB2 TYR A 606 -0.114 -0.069 3.516 1.00 1.16 H new ATOM 0 HB3 TYR A 606 0.564 0.507 5.026 1.00 1.16 H new ATOM 0 HD1 TYR A 606 1.271 -1.159 6.799 1.00 2.05 H new ATOM 0 HD2 TYR A 606 0.107 -2.345 2.827 1.00 2.40 H new ATOM 0 HE1 TYR A 606 2.352 -3.380 7.144 1.00 2.40 H new ATOM 0 HE2 TYR A 606 1.165 -4.570 3.167 1.00 3.14 H new ATOM 0 HH TYR A 606 2.323 -5.878 4.553 1.00 3.52 H new ATOM 1165 N PHE A 607 -2.668 -1.391 3.448 1.00 1.03 N ATOM 1166 CA PHE A 607 -3.602 -2.306 2.804 1.00 1.10 C ATOM 1167 C PHE A 607 -2.947 -3.224 1.769 1.00 1.33 C ATOM 1168 O PHE A 607 -1.799 -3.049 1.364 1.00 1.78 O ATOM 1169 CB PHE A 607 -4.688 -1.468 2.117 1.00 1.67 C ATOM 1170 CG PHE A 607 -5.672 -0.792 3.041 1.00 0.99 C ATOM 1171 CD1 PHE A 607 -6.395 -1.552 3.980 1.00 1.82 C ATOM 1172 CD2 PHE A 607 -5.936 0.582 2.897 1.00 2.16 C ATOM 1173 CE1 PHE A 607 -7.371 -0.939 4.780 1.00 2.29 C ATOM 1174 CE2 PHE A 607 -6.921 1.189 3.690 1.00 1.87 C ATOM 1175 CZ PHE A 607 -7.631 0.433 4.634 1.00 1.33 C ATOM 0 H PHE A 607 -2.257 -0.733 2.786 1.00 1.03 H new ATOM 0 HA PHE A 607 -4.011 -2.957 3.577 1.00 1.10 H new ATOM 0 HB2 PHE A 607 -4.202 -0.704 1.510 1.00 1.67 H new ATOM 0 HB3 PHE A 607 -5.242 -2.113 1.434 1.00 1.67 H new ATOM 0 HD1 PHE A 607 -6.198 -2.609 4.085 1.00 1.82 H new ATOM 0 HD2 PHE A 607 -5.382 1.168 2.178 1.00 2.16 H new ATOM 0 HE1 PHE A 607 -7.920 -1.520 5.506 1.00 2.29 H new ATOM 0 HE2 PHE A 607 -7.133 2.241 3.573 1.00 1.87 H new ATOM 0 HZ PHE A 607 -8.380 0.908 5.251 1.00 1.33 H new ATOM 1185 N GLY A 608 -3.750 -4.193 1.334 1.00 1.45 N ATOM 1186 CA GLY A 608 -3.444 -5.161 0.296 1.00 1.98 C ATOM 1187 C GLY A 608 -3.499 -4.646 -1.148 1.00 2.24 C ATOM 1188 O GLY A 608 -2.931 -3.611 -1.486 1.00 3.73 O ATOM 0 H GLY A 608 -4.684 -4.327 1.722 1.00 1.45 H new ATOM 0 HA2 GLY A 608 -2.445 -5.557 0.481 1.00 1.98 H new ATOM 0 HA3 GLY A 608 -4.140 -5.995 0.389 1.00 1.98 H new ATOM 1192 N GLU A 609 -4.186 -5.406 -2.009 1.00 2.69 N ATOM 1193 CA GLU A 609 -4.351 -5.226 -3.471 1.00 4.60 C ATOM 1194 C GLU A 609 -3.075 -5.420 -4.320 1.00 4.68 C ATOM 1195 O GLU A 609 -3.166 -5.961 -5.427 1.00 5.66 O ATOM 1196 CB GLU A 609 -5.045 -3.890 -3.791 1.00 6.37 C ATOM 1197 CG GLU A 609 -6.350 -3.605 -3.027 1.00 7.67 C ATOM 1198 CD GLU A 609 -7.478 -4.589 -3.358 1.00 8.43 C ATOM 1199 OE1 GLU A 609 -7.376 -5.761 -2.921 1.00 7.98 O ATOM 1200 OE2 GLU A 609 -8.465 -4.150 -4.001 1.00 9.87 O ATOM 0 H GLU A 609 -4.685 -6.233 -1.682 1.00 2.69 H new ATOM 0 HA GLU A 609 -4.996 -6.050 -3.775 1.00 4.60 H new ATOM 0 HB2 GLU A 609 -4.344 -3.081 -3.586 1.00 6.37 H new ATOM 0 HB3 GLU A 609 -5.260 -3.862 -4.859 1.00 6.37 H new ATOM 0 HG2 GLU A 609 -6.150 -3.640 -1.956 1.00 7.67 H new ATOM 0 HG3 GLU A 609 -6.682 -2.593 -3.256 1.00 7.67 H new ATOM 1207 N ILE A 610 -1.914 -5.060 -3.763 1.00 4.24 N ATOM 1208 CA ILE A 610 -0.527 -5.288 -4.211 1.00 4.24 C ATOM 1209 C ILE A 610 -0.374 -6.341 -5.322 1.00 3.72 C ATOM 1210 O ILE A 610 -0.512 -7.543 -5.085 1.00 3.71 O ATOM 1211 CB ILE A 610 0.334 -5.656 -2.963 1.00 4.43 C ATOM 1212 CG1 ILE A 610 0.528 -4.404 -2.079 1.00 5.95 C ATOM 1213 CG2 ILE A 610 1.716 -6.282 -3.272 1.00 4.43 C ATOM 1214 CD1 ILE A 610 0.897 -4.706 -0.619 1.00 6.70 C ATOM 0 H ILE A 610 -1.920 -4.541 -2.885 1.00 4.24 H new ATOM 0 HA ILE A 610 -0.178 -4.364 -4.671 1.00 4.24 H new ATOM 0 HB ILE A 610 -0.230 -6.432 -2.446 1.00 4.43 H new ATOM 0 HG12 ILE A 610 1.309 -3.783 -2.517 1.00 5.95 H new ATOM 0 HG13 ILE A 610 -0.391 -3.818 -2.094 1.00 5.95 H new ATOM 0 HG21 ILE A 610 2.234 -6.500 -2.338 1.00 4.43 H new ATOM 0 HG22 ILE A 610 1.580 -7.205 -3.836 1.00 4.43 H new ATOM 0 HG23 ILE A 610 2.309 -5.582 -3.860 1.00 4.43 H new ATOM 0 HD11 ILE A 610 1.014 -3.770 -0.072 1.00 6.70 H new ATOM 0 HD12 ILE A 610 0.106 -5.299 -0.159 1.00 6.70 H new ATOM 0 HD13 ILE A 610 1.833 -5.263 -0.588 1.00 6.70 H new ATOM 1226 N CYS A 611 0.054 -5.892 -6.499 1.00 4.12 N ATOM 1227 CA CYS A 611 1.206 -6.500 -7.167 1.00 3.66 C ATOM 1228 C CYS A 611 2.482 -5.717 -6.786 1.00 2.77 C ATOM 1229 O CYS A 611 2.379 -4.565 -6.375 1.00 3.85 O ATOM 1230 CB CYS A 611 0.954 -6.579 -8.680 1.00 5.26 C ATOM 1231 SG CYS A 611 1.005 -4.937 -9.452 1.00 6.84 S ATOM 0 H CYS A 611 -0.373 -5.118 -7.007 1.00 4.12 H new ATOM 0 HA CYS A 611 1.354 -7.527 -6.834 1.00 3.66 H new ATOM 0 HB2 CYS A 611 1.704 -7.222 -9.141 1.00 5.26 H new ATOM 0 HB3 CYS A 611 -0.017 -7.038 -8.864 1.00 5.26 H new ATOM 0 HG CYS A 611 0.088 -4.181 -8.925 1.00 6.84 H new ATOM 1237 N LEU A 612 3.655 -6.360 -6.851 1.00 2.04 N ATOM 1238 CA LEU A 612 5.022 -5.789 -6.848 1.00 1.49 C ATOM 1239 C LEU A 612 6.032 -6.952 -6.891 1.00 1.52 C ATOM 1240 O LEU A 612 6.798 -7.107 -7.840 1.00 1.87 O ATOM 1241 CB LEU A 612 5.313 -4.942 -5.586 1.00 1.55 C ATOM 1242 CG LEU A 612 5.218 -3.408 -5.735 1.00 1.54 C ATOM 1243 CD1 LEU A 612 5.486 -2.810 -4.359 1.00 2.35 C ATOM 1244 CD2 LEU A 612 6.207 -2.808 -6.738 1.00 1.18 C ATOM 0 H LEU A 612 3.682 -7.378 -6.912 1.00 2.04 H new ATOM 0 HA LEU A 612 5.109 -5.135 -7.715 1.00 1.49 H new ATOM 0 HB2 LEU A 612 4.619 -5.250 -4.804 1.00 1.55 H new ATOM 0 HB3 LEU A 612 6.316 -5.187 -5.237 1.00 1.55 H new ATOM 0 HG LEU A 612 4.226 -3.173 -6.121 1.00 1.54 H new ATOM 0 HD11 LEU A 612 5.429 -1.723 -4.417 1.00 2.35 H new ATOM 0 HD12 LEU A 612 4.741 -3.175 -3.652 1.00 2.35 H new ATOM 0 HD13 LEU A 612 6.480 -3.103 -4.022 1.00 2.35 H new ATOM 0 HD21 LEU A 612 6.072 -1.727 -6.780 1.00 1.18 H new ATOM 0 HD22 LEU A 612 7.226 -3.034 -6.424 1.00 1.18 H new ATOM 0 HD23 LEU A 612 6.028 -3.235 -7.725 1.00 1.18 H new ATOM 1256 N LEU A 613 5.959 -7.812 -5.869 1.00 1.69 N ATOM 1257 CA LEU A 613 6.691 -9.082 -5.697 1.00 2.23 C ATOM 1258 C LEU A 613 5.752 -10.307 -5.668 1.00 2.24 C ATOM 1259 O LEU A 613 6.091 -11.391 -5.188 1.00 3.11 O ATOM 1260 CB LEU A 613 7.619 -8.979 -4.471 1.00 2.90 C ATOM 1261 CG LEU A 613 7.010 -8.457 -3.150 1.00 3.52 C ATOM 1262 CD1 LEU A 613 5.793 -9.249 -2.671 1.00 3.50 C ATOM 1263 CD2 LEU A 613 8.066 -8.522 -2.047 1.00 4.65 C ATOM 0 H LEU A 613 5.341 -7.629 -5.078 1.00 1.69 H new ATOM 0 HA LEU A 613 7.320 -9.250 -6.571 1.00 2.23 H new ATOM 0 HB2 LEU A 613 8.034 -9.969 -4.281 1.00 2.90 H new ATOM 0 HB3 LEU A 613 8.453 -8.329 -4.736 1.00 2.90 H new ATOM 0 HG LEU A 613 6.682 -7.438 -3.354 1.00 3.52 H new ATOM 0 HD11 LEU A 613 5.424 -8.821 -1.739 1.00 3.50 H new ATOM 0 HD12 LEU A 613 5.009 -9.203 -3.427 1.00 3.50 H new ATOM 0 HD13 LEU A 613 6.077 -10.288 -2.505 1.00 3.50 H new ATOM 0 HD21 LEU A 613 7.640 -8.154 -1.113 1.00 4.65 H new ATOM 0 HD22 LEU A 613 8.392 -9.554 -1.916 1.00 4.65 H new ATOM 0 HD23 LEU A 613 8.920 -7.904 -2.324 1.00 4.65 H new ATOM 1275 N THR A 614 4.532 -10.092 -6.150 1.00 1.60 N ATOM 1276 CA THR A 614 3.445 -11.070 -6.245 1.00 1.61 C ATOM 1277 C THR A 614 2.579 -10.808 -7.475 1.00 1.62 C ATOM 1278 O THR A 614 2.544 -9.686 -7.997 1.00 1.89 O ATOM 1279 CB THR A 614 2.565 -11.053 -4.978 1.00 1.98 C ATOM 1280 OG1 THR A 614 1.934 -12.310 -4.847 1.00 2.41 O ATOM 1281 CG2 THR A 614 1.488 -9.974 -4.945 1.00 2.74 C ATOM 0 H THR A 614 4.256 -9.177 -6.507 1.00 1.60 H new ATOM 0 HA THR A 614 3.903 -12.055 -6.338 1.00 1.61 H new ATOM 0 HB THR A 614 3.243 -10.828 -4.155 1.00 1.98 H new ATOM 0 HG1 THR A 614 1.373 -12.312 -4.044 1.00 2.41 H new ATOM 0 HG21 THR A 614 0.926 -10.049 -4.014 1.00 2.74 H new ATOM 0 HG22 THR A 614 1.955 -8.991 -5.009 1.00 2.74 H new ATOM 0 HG23 THR A 614 0.811 -10.110 -5.789 1.00 2.74 H new ATOM 1289 N ARG A 615 1.825 -11.838 -7.861 1.00 1.68 N ATOM 1290 CA ARG A 615 0.673 -11.780 -8.770 1.00 1.88 C ATOM 1291 C ARG A 615 -0.284 -12.943 -8.494 1.00 1.71 C ATOM 1292 O ARG A 615 0.162 -14.061 -8.234 1.00 2.17 O ATOM 1293 CB ARG A 615 1.134 -11.729 -10.240 1.00 2.67 C ATOM 1294 CG ARG A 615 2.071 -12.866 -10.699 1.00 2.83 C ATOM 1295 CD ARG A 615 2.697 -12.555 -12.068 1.00 3.68 C ATOM 1296 NE ARG A 615 3.608 -11.399 -11.985 1.00 4.90 N ATOM 1297 CZ ARG A 615 4.059 -10.648 -12.971 1.00 6.01 C ATOM 1298 NH1 ARG A 615 3.869 -10.932 -14.225 1.00 6.14 N ATOM 1299 NH2 ARG A 615 4.721 -9.566 -12.697 1.00 7.49 N ATOM 0 H ARG A 615 2.009 -12.786 -7.532 1.00 1.68 H new ATOM 0 HA ARG A 615 0.121 -10.858 -8.584 1.00 1.88 H new ATOM 0 HB2 ARG A 615 0.250 -11.735 -10.877 1.00 2.67 H new ATOM 0 HB3 ARG A 615 1.641 -10.779 -10.408 1.00 2.67 H new ATOM 0 HG2 ARG A 615 2.860 -13.011 -9.961 1.00 2.83 H new ATOM 0 HG3 ARG A 615 1.512 -13.800 -10.756 1.00 2.83 H new ATOM 0 HD2 ARG A 615 3.243 -13.427 -12.428 1.00 3.68 H new ATOM 0 HD3 ARG A 615 1.910 -12.350 -12.793 1.00 3.68 H new ATOM 0 HE ARG A 615 3.929 -11.149 -11.050 1.00 4.90 H new ATOM 0 HH11 ARG A 615 3.349 -11.770 -14.485 1.00 6.14 H new ATOM 0 HH12 ARG A 615 4.240 -10.317 -14.949 1.00 6.14 H new ATOM 0 HH21 ARG A 615 4.889 -9.303 -11.726 1.00 7.49 H new ATOM 0 HH22 ARG A 615 5.074 -8.979 -13.453 1.00 7.49 H new ATOM 1313 N GLY A 616 -1.584 -12.661 -8.529 1.00 1.79 N ATOM 1314 CA GLY A 616 -2.671 -13.623 -8.313 1.00 2.04 C ATOM 1315 C GLY A 616 -3.918 -12.983 -7.688 1.00 1.82 C ATOM 1316 O GLY A 616 -3.813 -11.978 -6.977 1.00 1.99 O ATOM 0 H GLY A 616 -1.927 -11.719 -8.716 1.00 1.79 H new ATOM 0 HA2 GLY A 616 -2.941 -14.079 -9.266 1.00 2.04 H new ATOM 0 HA3 GLY A 616 -2.317 -14.425 -7.665 1.00 2.04 H new ATOM 1320 N ARG A 617 -5.096 -13.562 -7.958 1.00 1.88 N ATOM 1321 CA ARG A 617 -6.418 -13.050 -7.538 1.00 1.78 C ATOM 1322 C ARG A 617 -6.543 -12.884 -6.014 1.00 1.68 C ATOM 1323 O ARG A 617 -6.196 -13.805 -5.265 1.00 1.95 O ATOM 1324 CB ARG A 617 -7.524 -14.009 -8.030 1.00 2.23 C ATOM 1325 CG ARG A 617 -7.676 -14.103 -9.559 1.00 2.09 C ATOM 1326 CD ARG A 617 -8.227 -12.825 -10.205 1.00 1.64 C ATOM 1327 NE ARG A 617 -9.620 -12.561 -9.795 1.00 2.04 N ATOM 1328 CZ ARG A 617 -10.721 -12.901 -10.441 1.00 2.48 C ATOM 1329 NH1 ARG A 617 -10.705 -13.564 -11.564 1.00 2.91 N ATOM 1330 NH2 ARG A 617 -11.887 -12.580 -9.964 1.00 3.56 N ATOM 0 H ARG A 617 -5.163 -14.428 -8.492 1.00 1.88 H new ATOM 0 HA ARG A 617 -6.529 -12.062 -7.984 1.00 1.78 H new ATOM 0 HB2 ARG A 617 -7.319 -15.006 -7.639 1.00 2.23 H new ATOM 0 HB3 ARG A 617 -8.476 -13.689 -7.605 1.00 2.23 H new ATOM 0 HG2 ARG A 617 -6.705 -14.332 -9.998 1.00 2.09 H new ATOM 0 HG3 ARG A 617 -8.338 -14.935 -9.799 1.00 2.09 H new ATOM 0 HD2 ARG A 617 -7.600 -11.978 -9.928 1.00 1.64 H new ATOM 0 HD3 ARG A 617 -8.178 -12.916 -11.290 1.00 1.64 H new ATOM 0 HE ARG A 617 -9.747 -12.061 -8.915 1.00 2.04 H new ATOM 0 HH11 ARG A 617 -9.816 -13.842 -11.979 1.00 2.91 H new ATOM 0 HH12 ARG A 617 -11.582 -13.804 -12.027 1.00 2.91 H new ATOM 0 HH21 ARG A 617 -11.955 -12.063 -9.087 1.00 3.56 H new ATOM 0 HH22 ARG A 617 -12.734 -12.845 -10.467 1.00 3.56 H new ATOM 1344 N ARG A 618 -7.092 -11.741 -5.580 1.00 1.65 N ATOM 1345 CA ARG A 618 -7.345 -11.371 -4.165 1.00 1.75 C ATOM 1346 C ARG A 618 -8.822 -11.070 -3.859 1.00 1.95 C ATOM 1347 O ARG A 618 -9.547 -10.619 -4.751 1.00 2.38 O ATOM 1348 CB ARG A 618 -6.456 -10.154 -3.845 1.00 1.98 C ATOM 1349 CG ARG A 618 -6.429 -9.766 -2.360 1.00 2.97 C ATOM 1350 CD ARG A 618 -5.487 -8.588 -2.105 1.00 3.62 C ATOM 1351 NE ARG A 618 -5.390 -8.319 -0.662 1.00 5.06 N ATOM 1352 CZ ARG A 618 -6.191 -7.588 0.088 1.00 6.85 C ATOM 1353 NH1 ARG A 618 -7.119 -6.809 -0.382 1.00 7.84 N ATOM 1354 NH2 ARG A 618 -6.024 -7.603 1.372 1.00 8.13 N ATOM 0 H ARG A 618 -7.388 -11.011 -6.228 1.00 1.65 H new ATOM 0 HA ARG A 618 -7.099 -12.224 -3.532 1.00 1.75 H new ATOM 0 HB2 ARG A 618 -5.438 -10.366 -4.172 1.00 1.98 H new ATOM 0 HB3 ARG A 618 -6.806 -9.300 -4.425 1.00 1.98 H new ATOM 0 HG2 ARG A 618 -7.436 -9.506 -2.033 1.00 2.97 H new ATOM 0 HG3 ARG A 618 -6.112 -10.622 -1.765 1.00 2.97 H new ATOM 0 HD2 ARG A 618 -4.499 -8.809 -2.508 1.00 3.62 H new ATOM 0 HD3 ARG A 618 -5.852 -7.702 -2.624 1.00 3.62 H new ATOM 0 HE ARG A 618 -4.603 -8.753 -0.180 1.00 5.06 H new ATOM 0 HH11 ARG A 618 -7.262 -6.736 -1.389 1.00 7.84 H new ATOM 0 HH12 ARG A 618 -7.704 -6.270 0.256 1.00 7.84 H new ATOM 0 HH21 ARG A 618 -5.285 -8.172 1.783 1.00 8.13 H new ATOM 0 HH22 ARG A 618 -6.632 -7.045 1.972 1.00 8.13 H new ATOM 1368 N THR A 619 -9.246 -11.204 -2.595 1.00 1.85 N ATOM 1369 CA THR A 619 -10.453 -10.546 -2.047 1.00 1.83 C ATOM 1370 C THR A 619 -10.326 -10.212 -0.546 1.00 1.66 C ATOM 1371 O THR A 619 -9.588 -10.887 0.176 1.00 1.70 O ATOM 1372 CB THR A 619 -11.708 -11.383 -2.344 1.00 2.23 C ATOM 1373 OG1 THR A 619 -12.833 -10.544 -2.292 1.00 3.19 O ATOM 1374 CG2 THR A 619 -11.937 -12.555 -1.392 1.00 3.09 C ATOM 0 H THR A 619 -8.757 -11.780 -1.910 1.00 1.85 H new ATOM 0 HA THR A 619 -10.554 -9.587 -2.555 1.00 1.83 H new ATOM 0 HB THR A 619 -11.552 -11.816 -3.332 1.00 2.23 H new ATOM 0 HG1 THR A 619 -13.640 -11.067 -2.482 1.00 3.19 H new ATOM 0 HG21 THR A 619 -12.844 -13.086 -1.680 1.00 3.09 H new ATOM 0 HG22 THR A 619 -11.087 -13.236 -1.442 1.00 3.09 H new ATOM 0 HG23 THR A 619 -12.043 -12.181 -0.374 1.00 3.09 H new ATOM 1382 N ALA A 620 -10.994 -9.147 -0.078 1.00 1.61 N ATOM 1383 CA ALA A 620 -11.137 -8.784 1.344 1.00 1.63 C ATOM 1384 C ALA A 620 -12.295 -7.784 1.578 1.00 1.46 C ATOM 1385 O ALA A 620 -12.592 -6.975 0.695 1.00 1.57 O ATOM 1386 CB ALA A 620 -9.826 -8.167 1.851 1.00 2.04 C ATOM 0 H ALA A 620 -11.467 -8.491 -0.699 1.00 1.61 H new ATOM 0 HA ALA A 620 -11.368 -9.697 1.894 1.00 1.63 H new ATOM 0 HB1 ALA A 620 -9.933 -7.899 2.902 1.00 2.04 H new ATOM 0 HB2 ALA A 620 -9.017 -8.890 1.741 1.00 2.04 H new ATOM 0 HB3 ALA A 620 -9.596 -7.274 1.270 1.00 2.04 H new ATOM 1392 N SER A 621 -12.895 -7.761 2.776 1.00 1.48 N ATOM 1393 CA SER A 621 -13.972 -6.827 3.165 1.00 1.42 C ATOM 1394 C SER A 621 -13.556 -5.877 4.300 1.00 1.31 C ATOM 1395 O SER A 621 -13.393 -6.276 5.453 1.00 1.36 O ATOM 1396 CB SER A 621 -15.273 -7.576 3.481 1.00 1.58 C ATOM 1397 OG SER A 621 -15.826 -8.055 2.262 1.00 1.98 O ATOM 0 H SER A 621 -12.641 -8.406 3.524 1.00 1.48 H new ATOM 0 HA SER A 621 -14.164 -6.190 2.302 1.00 1.42 H new ATOM 0 HB2 SER A 621 -15.077 -8.406 4.160 1.00 1.58 H new ATOM 0 HB3 SER A 621 -15.979 -6.914 3.983 1.00 1.58 H new ATOM 0 HG SER A 621 -15.148 -8.568 1.775 1.00 1.98 H new ATOM 1403 N VAL A 622 -13.371 -4.594 3.970 1.00 1.19 N ATOM 1404 CA VAL A 622 -13.032 -3.516 4.919 1.00 1.09 C ATOM 1405 C VAL A 622 -13.516 -2.148 4.418 1.00 0.93 C ATOM 1406 O VAL A 622 -13.404 -1.845 3.228 1.00 0.95 O ATOM 1407 CB VAL A 622 -11.521 -3.540 5.243 1.00 1.17 C ATOM 1408 CG1 VAL A 622 -10.624 -3.804 4.030 1.00 1.35 C ATOM 1409 CG2 VAL A 622 -11.045 -2.268 5.949 1.00 0.97 C ATOM 0 H VAL A 622 -13.454 -4.263 3.009 1.00 1.19 H new ATOM 0 HA VAL A 622 -13.564 -3.694 5.853 1.00 1.09 H new ATOM 0 HB VAL A 622 -11.419 -4.387 5.922 1.00 1.17 H new ATOM 0 HG11 VAL A 622 -9.580 -3.805 4.343 1.00 1.35 H new ATOM 0 HG12 VAL A 622 -10.874 -4.773 3.597 1.00 1.35 H new ATOM 0 HG13 VAL A 622 -10.779 -3.023 3.286 1.00 1.35 H new ATOM 0 HG21 VAL A 622 -9.976 -2.342 6.151 1.00 0.97 H new ATOM 0 HG22 VAL A 622 -11.234 -1.405 5.311 1.00 0.97 H new ATOM 0 HG23 VAL A 622 -11.585 -2.150 6.889 1.00 0.97 H new ATOM 1419 N ARG A 623 -14.054 -1.304 5.313 1.00 0.83 N ATOM 1420 CA ARG A 623 -14.730 -0.041 4.963 1.00 0.69 C ATOM 1421 C ARG A 623 -14.328 1.152 5.829 1.00 0.63 C ATOM 1422 O ARG A 623 -13.882 1.001 6.966 1.00 0.73 O ATOM 1423 CB ARG A 623 -16.258 -0.273 4.975 1.00 0.75 C ATOM 1424 CG ARG A 623 -16.892 -0.263 6.379 1.00 0.86 C ATOM 1425 CD ARG A 623 -18.150 -1.133 6.485 1.00 1.09 C ATOM 1426 NE ARG A 623 -19.194 -0.803 5.497 1.00 2.04 N ATOM 1427 CZ ARG A 623 -20.364 -1.405 5.399 1.00 2.79 C ATOM 1428 NH1 ARG A 623 -20.760 -2.301 6.254 1.00 2.65 N ATOM 1429 NH2 ARG A 623 -21.185 -1.147 4.425 1.00 4.12 N ATOM 0 H ARG A 623 -14.032 -1.482 6.317 1.00 0.83 H new ATOM 0 HA ARG A 623 -14.401 0.237 3.962 1.00 0.69 H new ATOM 0 HB2 ARG A 623 -16.735 0.497 4.369 1.00 0.75 H new ATOM 0 HB3 ARG A 623 -16.472 -1.230 4.500 1.00 0.75 H new ATOM 0 HG2 ARG A 623 -16.156 -0.611 7.104 1.00 0.86 H new ATOM 0 HG3 ARG A 623 -17.145 0.763 6.648 1.00 0.86 H new ATOM 0 HD2 ARG A 623 -17.867 -2.179 6.364 1.00 1.09 H new ATOM 0 HD3 ARG A 623 -18.567 -1.030 7.487 1.00 1.09 H new ATOM 0 HE ARG A 623 -18.996 -0.050 4.838 1.00 2.04 H new ATOM 0 HH11 ARG A 623 -20.158 -2.561 7.035 1.00 2.65 H new ATOM 0 HH12 ARG A 623 -21.672 -2.744 6.143 1.00 2.65 H new ATOM 0 HH21 ARG A 623 -20.931 -0.464 3.711 1.00 4.12 H new ATOM 0 HH22 ARG A 623 -22.083 -1.628 4.374 1.00 4.12 H new ATOM 1443 N ALA A 624 -14.525 2.350 5.286 1.00 0.61 N ATOM 1444 CA ALA A 624 -14.357 3.607 6.003 1.00 0.69 C ATOM 1445 C ALA A 624 -15.339 3.692 7.188 1.00 0.82 C ATOM 1446 O ALA A 624 -16.550 3.751 6.985 1.00 0.95 O ATOM 1447 CB ALA A 624 -14.553 4.740 4.987 1.00 0.82 C ATOM 0 H ALA A 624 -14.812 2.475 4.315 1.00 0.61 H new ATOM 0 HA ALA A 624 -13.361 3.685 6.439 1.00 0.69 H new ATOM 0 HB1 ALA A 624 -14.435 5.701 5.487 1.00 0.82 H new ATOM 0 HB2 ALA A 624 -13.811 4.650 4.194 1.00 0.82 H new ATOM 0 HB3 ALA A 624 -15.553 4.675 4.558 1.00 0.82 H new ATOM 1453 N ASP A 625 -14.833 3.728 8.427 1.00 0.88 N ATOM 1454 CA ASP A 625 -15.667 3.916 9.635 1.00 1.05 C ATOM 1455 C ASP A 625 -16.223 5.349 9.738 1.00 1.21 C ATOM 1456 O ASP A 625 -17.160 5.656 10.476 1.00 1.30 O ATOM 1457 CB ASP A 625 -14.793 3.662 10.875 1.00 1.08 C ATOM 1458 CG ASP A 625 -15.614 3.361 12.132 1.00 1.43 C ATOM 1459 OD1 ASP A 625 -16.473 2.443 12.099 1.00 2.22 O ATOM 1460 OD2 ASP A 625 -15.361 4.019 13.166 1.00 2.18 O ATOM 0 H ASP A 625 -13.838 3.629 8.627 1.00 0.88 H new ATOM 0 HA ASP A 625 -16.505 3.222 9.573 1.00 1.05 H new ATOM 0 HB2 ASP A 625 -14.123 2.825 10.676 1.00 1.08 H new ATOM 0 HB3 ASP A 625 -14.167 4.535 11.057 1.00 1.08 H new ATOM 1465 N THR A 626 -15.526 6.233 9.035 1.00 1.22 N ATOM 1466 CA THR A 626 -15.430 7.678 9.207 1.00 1.17 C ATOM 1467 C THR A 626 -14.698 8.239 7.976 1.00 0.93 C ATOM 1468 O THR A 626 -14.085 7.477 7.224 1.00 0.74 O ATOM 1469 CB THR A 626 -14.648 7.961 10.503 1.00 1.30 C ATOM 1470 OG1 THR A 626 -14.590 9.331 10.801 1.00 1.38 O ATOM 1471 CG2 THR A 626 -13.212 7.444 10.481 1.00 1.25 C ATOM 0 H THR A 626 -14.955 5.923 8.249 1.00 1.22 H new ATOM 0 HA THR A 626 -16.409 8.150 9.289 1.00 1.17 H new ATOM 0 HB THR A 626 -15.210 7.423 11.266 1.00 1.30 H new ATOM 0 HG1 THR A 626 -14.087 9.464 11.631 1.00 1.38 H new ATOM 0 HG21 THR A 626 -12.726 7.681 11.427 1.00 1.25 H new ATOM 0 HG22 THR A 626 -13.216 6.364 10.335 1.00 1.25 H new ATOM 0 HG23 THR A 626 -12.667 7.918 9.665 1.00 1.25 H new ATOM 1479 N TYR A 627 -14.718 9.552 7.761 1.00 1.00 N ATOM 1480 CA TYR A 627 -13.960 10.221 6.698 1.00 0.91 C ATOM 1481 C TYR A 627 -12.452 9.966 6.882 1.00 0.87 C ATOM 1482 O TYR A 627 -11.860 10.328 7.908 1.00 1.08 O ATOM 1483 CB TYR A 627 -14.361 11.707 6.656 1.00 1.05 C ATOM 1484 CG TYR A 627 -13.318 12.696 6.159 1.00 1.13 C ATOM 1485 CD1 TYR A 627 -13.048 12.831 4.783 1.00 2.08 C ATOM 1486 CD2 TYR A 627 -12.652 13.525 7.084 1.00 2.09 C ATOM 1487 CE1 TYR A 627 -12.133 13.808 4.340 1.00 2.20 C ATOM 1488 CE2 TYR A 627 -11.738 14.501 6.645 1.00 2.49 C ATOM 1489 CZ TYR A 627 -11.490 14.656 5.266 1.00 1.90 C ATOM 1490 OH TYR A 627 -10.655 15.635 4.825 1.00 2.37 O ATOM 0 H TYR A 627 -15.270 10.195 8.329 1.00 1.00 H new ATOM 0 HA TYR A 627 -14.202 9.809 5.718 1.00 0.91 H new ATOM 0 HB2 TYR A 627 -15.244 11.801 6.023 1.00 1.05 H new ATOM 0 HB3 TYR A 627 -14.657 12.005 7.662 1.00 1.05 H new ATOM 0 HD1 TYR A 627 -13.541 12.188 4.069 1.00 2.08 H new ATOM 0 HD2 TYR A 627 -12.845 13.410 8.140 1.00 2.09 H new ATOM 0 HE1 TYR A 627 -11.923 13.908 3.285 1.00 2.20 H new ATOM 0 HE2 TYR A 627 -11.229 15.128 7.362 1.00 2.49 H new ATOM 0 HH TYR A 627 -10.296 16.129 5.592 1.00 2.37 H new ATOM 1500 N CYS A 628 -11.855 9.278 5.902 1.00 0.71 N ATOM 1501 CA CYS A 628 -10.515 8.698 5.969 1.00 0.68 C ATOM 1502 C CYS A 628 -9.743 8.979 4.671 1.00 0.67 C ATOM 1503 O CYS A 628 -10.230 8.709 3.567 1.00 0.74 O ATOM 1504 CB CYS A 628 -10.649 7.188 6.240 1.00 0.68 C ATOM 1505 SG CYS A 628 -9.068 6.452 6.735 1.00 2.32 S ATOM 0 H CYS A 628 -12.313 9.105 5.007 1.00 0.71 H new ATOM 0 HA CYS A 628 -9.946 9.153 6.780 1.00 0.68 H new ATOM 0 HB2 CYS A 628 -11.388 7.023 7.024 1.00 0.68 H new ATOM 0 HB3 CYS A 628 -11.018 6.689 5.344 1.00 0.68 H new ATOM 0 HG CYS A 628 -9.231 5.181 6.954 1.00 2.32 H new ATOM 1511 N ARG A 629 -8.526 9.512 4.807 1.00 0.68 N ATOM 1512 CA ARG A 629 -7.636 9.880 3.704 1.00 0.77 C ATOM 1513 C ARG A 629 -6.536 8.832 3.520 1.00 0.67 C ATOM 1514 O ARG A 629 -5.784 8.501 4.445 1.00 0.70 O ATOM 1515 CB ARG A 629 -7.144 11.320 3.917 1.00 1.12 C ATOM 1516 CG ARG A 629 -6.165 11.786 2.845 1.00 2.02 C ATOM 1517 CD ARG A 629 -5.995 13.310 2.885 1.00 1.61 C ATOM 1518 NE ARG A 629 -5.365 13.784 4.133 1.00 1.77 N ATOM 1519 CZ ARG A 629 -5.825 14.656 5.012 1.00 2.24 C ATOM 1520 NH1 ARG A 629 -6.893 15.374 4.804 1.00 2.73 N ATOM 1521 NH2 ARG A 629 -5.186 14.789 6.136 1.00 3.13 N ATOM 0 H ARG A 629 -8.119 9.706 5.722 1.00 0.68 H new ATOM 0 HA ARG A 629 -8.168 9.879 2.752 1.00 0.77 H new ATOM 0 HB2 ARG A 629 -8.002 11.992 3.932 1.00 1.12 H new ATOM 0 HB3 ARG A 629 -6.665 11.393 4.893 1.00 1.12 H new ATOM 0 HG2 ARG A 629 -5.199 11.304 2.995 1.00 2.02 H new ATOM 0 HG3 ARG A 629 -6.524 11.482 1.862 1.00 2.02 H new ATOM 0 HD2 ARG A 629 -5.389 13.626 2.035 1.00 1.61 H new ATOM 0 HD3 ARG A 629 -6.971 13.783 2.774 1.00 1.61 H new ATOM 0 HE ARG A 629 -4.451 13.384 4.345 1.00 1.77 H new ATOM 0 HH11 ARG A 629 -7.412 15.275 3.932 1.00 2.73 H new ATOM 0 HH12 ARG A 629 -7.209 16.035 5.514 1.00 2.73 H new ATOM 0 HH21 ARG A 629 -4.354 14.228 6.319 1.00 3.13 H new ATOM 0 HH22 ARG A 629 -5.517 15.454 6.835 1.00 3.13 H new ATOM 1535 N LEU A 630 -6.467 8.314 2.299 1.00 0.62 N ATOM 1536 CA LEU A 630 -5.583 7.234 1.862 1.00 0.60 C ATOM 1537 C LEU A 630 -4.575 7.731 0.808 1.00 0.63 C ATOM 1538 O LEU A 630 -4.727 8.796 0.209 1.00 0.74 O ATOM 1539 CB LEU A 630 -6.409 6.043 1.307 1.00 0.58 C ATOM 1540 CG LEU A 630 -7.484 5.403 2.216 1.00 0.60 C ATOM 1541 CD1 LEU A 630 -7.975 4.076 1.610 1.00 0.69 C ATOM 1542 CD2 LEU A 630 -6.950 5.074 3.605 1.00 0.65 C ATOM 0 H LEU A 630 -7.060 8.655 1.542 1.00 0.62 H new ATOM 0 HA LEU A 630 -5.019 6.891 2.730 1.00 0.60 H new ATOM 0 HB2 LEU A 630 -6.903 6.379 0.395 1.00 0.58 H new ATOM 0 HB3 LEU A 630 -5.708 5.259 1.020 1.00 0.58 H new ATOM 0 HG LEU A 630 -8.286 6.137 2.293 1.00 0.60 H new ATOM 0 HD11 LEU A 630 -8.731 3.637 2.260 1.00 0.69 H new ATOM 0 HD12 LEU A 630 -8.406 4.263 0.627 1.00 0.69 H new ATOM 0 HD13 LEU A 630 -7.136 3.388 1.513 1.00 0.69 H new ATOM 0 HD21 LEU A 630 -7.744 4.627 4.204 1.00 0.65 H new ATOM 0 HD22 LEU A 630 -6.121 4.372 3.519 1.00 0.65 H new ATOM 0 HD23 LEU A 630 -6.603 5.988 4.087 1.00 0.65 H new ATOM 1554 N TYR A 631 -3.547 6.926 0.562 1.00 0.59 N ATOM 1555 CA TYR A 631 -2.492 7.184 -0.422 1.00 0.62 C ATOM 1556 C TYR A 631 -2.213 5.923 -1.248 1.00 0.71 C ATOM 1557 O TYR A 631 -2.393 4.813 -0.741 1.00 0.97 O ATOM 1558 CB TYR A 631 -1.253 7.682 0.332 1.00 0.89 C ATOM 1559 CG TYR A 631 -0.953 9.146 0.106 1.00 2.55 C ATOM 1560 CD1 TYR A 631 -0.178 9.525 -1.001 1.00 3.66 C ATOM 1561 CD2 TYR A 631 -1.479 10.124 0.970 1.00 4.10 C ATOM 1562 CE1 TYR A 631 0.059 10.888 -1.266 1.00 5.38 C ATOM 1563 CE2 TYR A 631 -1.231 11.488 0.726 1.00 5.79 C ATOM 1564 CZ TYR A 631 -0.479 11.870 -0.406 1.00 6.24 C ATOM 1565 OH TYR A 631 -0.328 13.188 -0.702 1.00 8.08 O ATOM 0 H TYR A 631 -3.417 6.044 1.058 1.00 0.59 H new ATOM 0 HA TYR A 631 -2.799 7.951 -1.133 1.00 0.62 H new ATOM 0 HB2 TYR A 631 -1.394 7.509 1.399 1.00 0.89 H new ATOM 0 HB3 TYR A 631 -0.390 7.092 0.025 1.00 0.89 H new ATOM 0 HD1 TYR A 631 0.238 8.770 -1.651 1.00 3.66 H new ATOM 0 HD2 TYR A 631 -2.074 9.828 1.821 1.00 4.10 H new ATOM 0 HE1 TYR A 631 0.649 11.180 -2.122 1.00 5.38 H new ATOM 0 HE2 TYR A 631 -1.614 12.239 1.401 1.00 5.79 H new ATOM 0 HH TYR A 631 -0.758 13.730 -0.008 1.00 8.08 H new ATOM 1575 N SER A 632 -1.783 6.071 -2.509 1.00 0.70 N ATOM 1576 CA SER A 632 -1.501 4.934 -3.396 1.00 0.95 C ATOM 1577 C SER A 632 -0.249 5.108 -4.254 1.00 0.96 C ATOM 1578 O SER A 632 0.040 6.206 -4.734 1.00 1.08 O ATOM 1579 CB SER A 632 -2.703 4.641 -4.299 1.00 1.18 C ATOM 1580 OG SER A 632 -2.477 3.456 -5.045 1.00 2.61 O ATOM 0 H SER A 632 -1.621 6.980 -2.942 1.00 0.70 H new ATOM 0 HA SER A 632 -1.311 4.090 -2.733 1.00 0.95 H new ATOM 0 HB2 SER A 632 -3.604 4.533 -3.695 1.00 1.18 H new ATOM 0 HB3 SER A 632 -2.872 5.479 -4.975 1.00 1.18 H new ATOM 0 HG SER A 632 -1.907 2.849 -4.529 1.00 2.61 H new ATOM 1586 N LEU A 633 0.471 4.001 -4.475 1.00 0.93 N ATOM 1587 CA LEU A 633 1.751 3.928 -5.186 1.00 0.98 C ATOM 1588 C LEU A 633 1.665 2.933 -6.362 1.00 0.99 C ATOM 1589 O LEU A 633 1.374 1.748 -6.166 1.00 1.00 O ATOM 1590 CB LEU A 633 2.843 3.579 -4.149 1.00 0.98 C ATOM 1591 CG LEU A 633 4.259 4.097 -4.467 1.00 1.16 C ATOM 1592 CD1 LEU A 633 5.161 3.838 -3.261 1.00 1.34 C ATOM 1593 CD2 LEU A 633 4.875 3.422 -5.693 1.00 1.50 C ATOM 0 H LEU A 633 0.160 3.087 -4.146 1.00 0.93 H new ATOM 0 HA LEU A 633 2.010 4.883 -5.644 1.00 0.98 H new ATOM 0 HB2 LEU A 633 2.539 3.978 -3.181 1.00 0.98 H new ATOM 0 HB3 LEU A 633 2.887 2.495 -4.047 1.00 0.98 H new ATOM 0 HG LEU A 633 4.176 5.162 -4.685 1.00 1.16 H new ATOM 0 HD11 LEU A 633 6.167 4.201 -3.474 1.00 1.34 H new ATOM 0 HD12 LEU A 633 4.764 4.360 -2.391 1.00 1.34 H new ATOM 0 HD13 LEU A 633 5.197 2.768 -3.057 1.00 1.34 H new ATOM 0 HD21 LEU A 633 5.872 3.827 -5.869 1.00 1.50 H new ATOM 0 HD22 LEU A 633 4.944 2.348 -5.521 1.00 1.50 H new ATOM 0 HD23 LEU A 633 4.248 3.610 -6.565 1.00 1.50 H new ATOM 1605 N SER A 634 1.918 3.418 -7.582 1.00 1.15 N ATOM 1606 CA SER A 634 1.886 2.639 -8.827 1.00 1.31 C ATOM 1607 C SER A 634 3.202 1.916 -9.131 1.00 1.50 C ATOM 1608 O SER A 634 4.291 2.492 -9.039 1.00 1.51 O ATOM 1609 CB SER A 634 1.494 3.530 -10.010 1.00 1.47 C ATOM 1610 OG SER A 634 2.299 4.695 -10.077 1.00 2.98 O ATOM 0 H SER A 634 2.159 4.397 -7.737 1.00 1.15 H new ATOM 0 HA SER A 634 1.132 1.866 -8.678 1.00 1.31 H new ATOM 0 HB2 SER A 634 1.591 2.967 -10.938 1.00 1.47 H new ATOM 0 HB3 SER A 634 0.446 3.816 -9.919 1.00 1.47 H new ATOM 0 HG SER A 634 2.258 5.070 -10.982 1.00 2.98 H new ATOM 1616 N VAL A 635 3.122 0.647 -9.550 1.00 1.73 N ATOM 1617 CA VAL A 635 4.329 -0.185 -9.693 1.00 1.90 C ATOM 1618 C VAL A 635 5.157 0.142 -10.925 1.00 1.95 C ATOM 1619 O VAL A 635 6.353 -0.132 -10.916 1.00 1.98 O ATOM 1620 CB VAL A 635 4.085 -1.697 -9.590 1.00 2.02 C ATOM 1621 CG1 VAL A 635 3.083 -2.034 -8.491 1.00 1.81 C ATOM 1622 CG2 VAL A 635 3.658 -2.388 -10.879 1.00 2.58 C ATOM 0 H VAL A 635 2.250 0.177 -9.793 1.00 1.73 H new ATOM 0 HA VAL A 635 4.916 0.093 -8.818 1.00 1.90 H new ATOM 0 HB VAL A 635 5.072 -2.091 -9.346 1.00 2.02 H new ATOM 0 HG11 VAL A 635 2.937 -3.113 -8.450 1.00 1.81 H new ATOM 0 HG12 VAL A 635 3.463 -1.682 -7.532 1.00 1.81 H new ATOM 0 HG13 VAL A 635 2.131 -1.547 -8.705 1.00 1.81 H new ATOM 0 HG21 VAL A 635 3.514 -3.452 -10.691 1.00 2.58 H new ATOM 0 HG22 VAL A 635 2.724 -1.952 -11.233 1.00 2.58 H new ATOM 0 HG23 VAL A 635 4.431 -2.255 -11.636 1.00 2.58 H new ATOM 1632 N ASP A 636 4.593 0.782 -11.951 1.00 2.03 N ATOM 1633 CA ASP A 636 5.388 1.281 -13.079 1.00 2.24 C ATOM 1634 C ASP A 636 6.444 2.293 -12.597 1.00 2.05 C ATOM 1635 O ASP A 636 7.593 2.245 -13.042 1.00 2.15 O ATOM 1636 CB ASP A 636 4.472 1.904 -14.139 1.00 2.49 C ATOM 1637 CG ASP A 636 3.736 0.845 -14.964 1.00 2.87 C ATOM 1638 OD1 ASP A 636 2.731 0.291 -14.461 1.00 2.53 O ATOM 1639 OD2 ASP A 636 4.174 0.580 -16.111 1.00 4.04 O ATOM 0 H ASP A 636 3.593 0.967 -12.026 1.00 2.03 H new ATOM 0 HA ASP A 636 5.915 0.441 -13.532 1.00 2.24 H new ATOM 0 HB2 ASP A 636 3.744 2.552 -13.651 1.00 2.49 H new ATOM 0 HB3 ASP A 636 5.064 2.533 -14.804 1.00 2.49 H new ATOM 1644 N ASN A 637 6.100 3.137 -11.611 1.00 1.82 N ATOM 1645 CA ASN A 637 7.039 4.078 -11.000 1.00 1.68 C ATOM 1646 C ASN A 637 7.981 3.450 -9.950 1.00 1.49 C ATOM 1647 O ASN A 637 9.050 4.009 -9.723 1.00 1.62 O ATOM 1648 CB ASN A 637 6.300 5.310 -10.461 1.00 1.75 C ATOM 1649 CG ASN A 637 6.522 6.468 -11.413 1.00 2.69 C ATOM 1650 OD1 ASN A 637 7.513 7.184 -11.333 1.00 4.48 O ATOM 1651 ND2 ASN A 637 5.659 6.620 -12.384 1.00 2.03 N ATOM 0 H ASN A 637 5.160 3.182 -11.218 1.00 1.82 H new ATOM 0 HA ASN A 637 7.707 4.400 -11.799 1.00 1.68 H new ATOM 0 HB2 ASN A 637 5.235 5.099 -10.365 1.00 1.75 H new ATOM 0 HB3 ASN A 637 6.666 5.564 -9.466 1.00 1.75 H new ATOM 0 HD21 ASN A 637 5.806 7.343 -13.089 1.00 2.03 H new ATOM 0 HD22 ASN A 637 4.839 6.016 -12.437 1.00 2.03 H new ATOM 1658 N PHE A 638 7.625 2.297 -9.366 1.00 1.35 N ATOM 1659 CA PHE A 638 8.483 1.413 -8.552 1.00 1.24 C ATOM 1660 C PHE A 638 9.555 0.720 -9.417 1.00 1.40 C ATOM 1661 O PHE A 638 10.742 0.701 -9.093 1.00 1.27 O ATOM 1662 CB PHE A 638 7.602 0.387 -7.837 1.00 1.33 C ATOM 1663 CG PHE A 638 8.277 -0.295 -6.664 1.00 1.34 C ATOM 1664 CD1 PHE A 638 9.275 -1.265 -6.878 1.00 2.43 C ATOM 1665 CD2 PHE A 638 7.834 -0.027 -5.354 1.00 1.70 C ATOM 1666 CE1 PHE A 638 9.808 -1.974 -5.786 1.00 2.54 C ATOM 1667 CE2 PHE A 638 8.384 -0.720 -4.263 1.00 1.74 C ATOM 1668 CZ PHE A 638 9.360 -1.702 -4.482 1.00 1.58 C ATOM 0 H PHE A 638 6.676 1.932 -9.452 1.00 1.35 H new ATOM 0 HA PHE A 638 9.013 2.012 -7.811 1.00 1.24 H new ATOM 0 HB2 PHE A 638 6.698 0.883 -7.484 1.00 1.33 H new ATOM 0 HB3 PHE A 638 7.290 -0.372 -8.555 1.00 1.33 H new ATOM 0 HD1 PHE A 638 9.630 -1.464 -7.878 1.00 2.43 H new ATOM 0 HD2 PHE A 638 7.067 0.715 -5.188 1.00 1.70 H new ATOM 0 HE1 PHE A 638 10.563 -2.729 -5.950 1.00 2.54 H new ATOM 0 HE2 PHE A 638 8.056 -0.497 -3.259 1.00 1.74 H new ATOM 0 HZ PHE A 638 9.769 -2.251 -3.647 1.00 1.58 H new ATOM 1678 N ASN A 639 9.146 0.197 -10.574 1.00 1.71 N ATOM 1679 CA ASN A 639 10.023 -0.436 -11.557 1.00 1.90 C ATOM 1680 C ASN A 639 10.972 0.587 -12.223 1.00 1.92 C ATOM 1681 O ASN A 639 12.114 0.255 -12.537 1.00 2.04 O ATOM 1682 CB ASN A 639 9.127 -1.190 -12.558 1.00 2.17 C ATOM 1683 CG ASN A 639 8.679 -2.537 -12.038 1.00 2.25 C ATOM 1684 OD1 ASN A 639 9.322 -3.542 -12.284 1.00 2.74 O ATOM 1685 ND2 ASN A 639 7.595 -2.645 -11.315 1.00 2.10 N ATOM 0 H ASN A 639 8.167 0.203 -10.860 1.00 1.71 H new ATOM 0 HA ASN A 639 10.692 -1.149 -11.076 1.00 1.90 H new ATOM 0 HB2 ASN A 639 8.251 -0.583 -12.785 1.00 2.17 H new ATOM 0 HB3 ASN A 639 9.670 -1.328 -13.493 1.00 2.17 H new ATOM 0 HD21 ASN A 639 7.302 -3.558 -10.968 1.00 2.10 H new ATOM 0 HD22 ASN A 639 7.042 -1.816 -11.098 1.00 2.10 H new ATOM 1692 N GLU A 640 10.538 1.846 -12.349 1.00 1.84 N ATOM 1693 CA GLU A 640 11.345 2.986 -12.827 1.00 1.92 C ATOM 1694 C GLU A 640 12.522 3.343 -11.912 1.00 1.70 C ATOM 1695 O GLU A 640 13.582 3.741 -12.395 1.00 1.89 O ATOM 1696 CB GLU A 640 10.455 4.238 -12.877 1.00 2.09 C ATOM 1697 CG GLU A 640 9.850 4.549 -14.243 1.00 2.19 C ATOM 1698 CD GLU A 640 10.920 5.004 -15.236 1.00 3.10 C ATOM 1699 OE1 GLU A 640 11.582 6.038 -14.969 1.00 4.21 O ATOM 1700 OE2 GLU A 640 11.091 4.332 -16.283 1.00 3.45 O ATOM 0 H GLU A 640 9.582 2.114 -12.114 1.00 1.84 H new ATOM 0 HA GLU A 640 11.737 2.685 -13.799 1.00 1.92 H new ATOM 0 HB2 GLU A 640 9.645 4.118 -12.157 1.00 2.09 H new ATOM 0 HB3 GLU A 640 11.044 5.096 -12.554 1.00 2.09 H new ATOM 0 HG2 GLU A 640 9.346 3.663 -14.630 1.00 2.19 H new ATOM 0 HG3 GLU A 640 9.093 5.327 -14.139 1.00 2.19 H new ATOM 1707 N VAL A 641 12.309 3.271 -10.596 1.00 1.39 N ATOM 1708 CA VAL A 641 13.305 3.632 -9.575 1.00 1.24 C ATOM 1709 C VAL A 641 14.226 2.450 -9.266 1.00 1.18 C ATOM 1710 O VAL A 641 15.416 2.646 -9.034 1.00 1.19 O ATOM 1711 CB VAL A 641 12.608 4.235 -8.337 1.00 1.13 C ATOM 1712 CG1 VAL A 641 11.556 3.323 -7.713 1.00 1.08 C ATOM 1713 CG2 VAL A 641 13.569 4.649 -7.224 1.00 1.10 C ATOM 0 H VAL A 641 11.424 2.955 -10.199 1.00 1.39 H new ATOM 0 HA VAL A 641 13.960 4.413 -9.961 1.00 1.24 H new ATOM 0 HB VAL A 641 12.125 5.120 -8.751 1.00 1.13 H new ATOM 0 HG11 VAL A 641 11.112 3.818 -6.849 1.00 1.08 H new ATOM 0 HG12 VAL A 641 10.779 3.108 -8.447 1.00 1.08 H new ATOM 0 HG13 VAL A 641 12.024 2.391 -7.397 1.00 1.08 H new ATOM 0 HG21 VAL A 641 13.003 5.063 -6.390 1.00 1.10 H new ATOM 0 HG22 VAL A 641 14.130 3.778 -6.885 1.00 1.10 H new ATOM 0 HG23 VAL A 641 14.261 5.402 -7.602 1.00 1.10 H new ATOM 1723 N LEU A 642 13.720 1.213 -9.351 1.00 1.19 N ATOM 1724 CA LEU A 642 14.517 -0.003 -9.150 1.00 1.19 C ATOM 1725 C LEU A 642 15.757 -0.115 -10.051 1.00 1.24 C ATOM 1726 O LEU A 642 16.772 -0.665 -9.622 1.00 1.23 O ATOM 1727 CB LEU A 642 13.623 -1.251 -9.335 1.00 1.24 C ATOM 1728 CG LEU A 642 13.116 -1.882 -8.027 1.00 1.24 C ATOM 1729 CD1 LEU A 642 12.364 -3.172 -8.350 1.00 1.55 C ATOM 1730 CD2 LEU A 642 14.281 -2.245 -7.103 1.00 1.93 C ATOM 0 H LEU A 642 12.740 1.027 -9.563 1.00 1.19 H new ATOM 0 HA LEU A 642 14.897 0.059 -8.130 1.00 1.19 H new ATOM 0 HB2 LEU A 642 12.763 -0.977 -9.947 1.00 1.24 H new ATOM 0 HB3 LEU A 642 14.183 -2.003 -9.891 1.00 1.24 H new ATOM 0 HG LEU A 642 12.470 -1.157 -7.532 1.00 1.24 H new ATOM 0 HD11 LEU A 642 12.002 -3.623 -7.426 1.00 1.55 H new ATOM 0 HD12 LEU A 642 11.518 -2.947 -8.999 1.00 1.55 H new ATOM 0 HD13 LEU A 642 13.034 -3.867 -8.855 1.00 1.55 H new ATOM 0 HD21 LEU A 642 13.893 -2.689 -6.186 1.00 1.93 H new ATOM 0 HD22 LEU A 642 14.934 -2.959 -7.604 1.00 1.93 H new ATOM 0 HD23 LEU A 642 14.846 -1.345 -6.860 1.00 1.93 H new ATOM 1742 N GLU A 643 15.724 0.413 -11.277 1.00 1.37 N ATOM 1743 CA GLU A 643 16.824 0.331 -12.226 1.00 1.42 C ATOM 1744 C GLU A 643 18.068 1.154 -11.828 1.00 1.36 C ATOM 1745 O GLU A 643 19.147 0.960 -12.391 1.00 1.39 O ATOM 1746 CB GLU A 643 16.220 0.679 -13.587 1.00 1.64 C ATOM 1747 CG GLU A 643 16.250 2.157 -13.997 1.00 3.62 C ATOM 1748 CD GLU A 643 17.313 2.456 -15.069 1.00 4.83 C ATOM 1749 OE1 GLU A 643 17.382 1.715 -16.083 1.00 4.74 O ATOM 1750 OE2 GLU A 643 18.070 3.449 -14.941 1.00 6.31 O ATOM 0 H GLU A 643 14.915 0.918 -11.639 1.00 1.37 H new ATOM 0 HA GLU A 643 17.248 -0.673 -12.251 1.00 1.42 H new ATOM 0 HB2 GLU A 643 16.745 0.104 -14.349 1.00 1.64 H new ATOM 0 HB3 GLU A 643 15.182 0.345 -13.594 1.00 1.64 H new ATOM 0 HG2 GLU A 643 15.269 2.445 -14.374 1.00 3.62 H new ATOM 0 HG3 GLU A 643 16.445 2.770 -13.117 1.00 3.62 H new ATOM 1757 N GLU A 644 17.948 2.051 -10.844 1.00 1.37 N ATOM 1758 CA GLU A 644 19.044 2.813 -10.242 1.00 1.51 C ATOM 1759 C GLU A 644 19.745 2.092 -9.069 1.00 1.40 C ATOM 1760 O GLU A 644 20.844 2.482 -8.662 1.00 1.60 O ATOM 1761 CB GLU A 644 18.444 4.108 -9.727 1.00 1.64 C ATOM 1762 CG GLU A 644 17.758 4.930 -10.818 1.00 1.79 C ATOM 1763 CD GLU A 644 18.681 5.741 -11.735 1.00 2.09 C ATOM 1764 OE1 GLU A 644 19.922 5.546 -11.737 1.00 3.50 O ATOM 1765 OE2 GLU A 644 18.141 6.563 -12.515 1.00 1.75 O ATOM 0 H GLU A 644 17.044 2.275 -10.428 1.00 1.37 H new ATOM 0 HA GLU A 644 19.809 2.961 -11.004 1.00 1.51 H new ATOM 0 HB2 GLU A 644 17.721 3.880 -8.944 1.00 1.64 H new ATOM 0 HB3 GLU A 644 19.230 4.708 -9.269 1.00 1.64 H new ATOM 0 HG2 GLU A 644 17.168 4.254 -11.437 1.00 1.79 H new ATOM 0 HG3 GLU A 644 17.059 5.617 -10.341 1.00 1.79 H new ATOM 1772 N TYR A 645 19.087 1.066 -8.517 1.00 1.18 N ATOM 1773 CA TYR A 645 19.463 0.312 -7.307 1.00 1.18 C ATOM 1774 C TYR A 645 19.450 -1.222 -7.550 1.00 1.21 C ATOM 1775 O TYR A 645 18.585 -1.925 -7.013 1.00 1.21 O ATOM 1776 CB TYR A 645 18.539 0.713 -6.133 1.00 1.12 C ATOM 1777 CG TYR A 645 18.522 2.190 -5.777 1.00 1.17 C ATOM 1778 CD1 TYR A 645 17.672 3.060 -6.481 1.00 1.77 C ATOM 1779 CD2 TYR A 645 19.325 2.700 -4.739 1.00 2.37 C ATOM 1780 CE1 TYR A 645 17.679 4.442 -6.224 1.00 1.73 C ATOM 1781 CE2 TYR A 645 19.314 4.080 -4.451 1.00 2.59 C ATOM 1782 CZ TYR A 645 18.520 4.962 -5.220 1.00 1.51 C ATOM 1783 OH TYR A 645 18.570 6.306 -5.012 1.00 1.77 O ATOM 0 H TYR A 645 18.222 0.715 -8.927 1.00 1.18 H new ATOM 0 HA TYR A 645 20.489 0.571 -7.047 1.00 1.18 H new ATOM 0 HB2 TYR A 645 17.522 0.406 -6.375 1.00 1.12 H new ATOM 0 HB3 TYR A 645 18.840 0.150 -5.250 1.00 1.12 H new ATOM 0 HD1 TYR A 645 17.004 2.661 -7.230 1.00 1.77 H new ATOM 0 HD2 TYR A 645 19.950 2.034 -4.163 1.00 2.37 H new ATOM 0 HE1 TYR A 645 17.042 5.103 -6.794 1.00 1.73 H new ATOM 0 HE2 TYR A 645 19.914 4.465 -3.640 1.00 2.59 H new ATOM 0 HH TYR A 645 19.196 6.501 -4.284 1.00 1.77 H new ATOM 1793 N PRO A 646 20.394 -1.780 -8.336 1.00 1.32 N ATOM 1794 CA PRO A 646 20.453 -3.214 -8.664 1.00 1.42 C ATOM 1795 C PRO A 646 20.525 -4.169 -7.453 1.00 1.42 C ATOM 1796 O PRO A 646 20.090 -5.320 -7.559 1.00 1.48 O ATOM 1797 CB PRO A 646 21.648 -3.372 -9.615 1.00 1.59 C ATOM 1798 CG PRO A 646 22.482 -2.109 -9.420 1.00 1.60 C ATOM 1799 CD PRO A 646 21.442 -1.062 -9.044 1.00 1.44 C ATOM 0 HA PRO A 646 19.514 -3.516 -9.128 1.00 1.42 H new ATOM 0 HB2 PRO A 646 22.225 -4.266 -9.378 1.00 1.59 H new ATOM 0 HB3 PRO A 646 21.318 -3.471 -10.649 1.00 1.59 H new ATOM 0 HG2 PRO A 646 23.228 -2.236 -8.635 1.00 1.60 H new ATOM 0 HG3 PRO A 646 23.018 -1.836 -10.329 1.00 1.60 H new ATOM 0 HD2 PRO A 646 21.878 -0.286 -8.415 1.00 1.44 H new ATOM 0 HD3 PRO A 646 21.046 -0.568 -9.931 1.00 1.44 H new ATOM 1807 N MET A 647 20.992 -3.702 -6.290 1.00 1.39 N ATOM 1808 CA MET A 647 20.885 -4.382 -4.989 1.00 1.40 C ATOM 1809 C MET A 647 19.420 -4.590 -4.566 1.00 1.29 C ATOM 1810 O MET A 647 19.023 -5.691 -4.186 1.00 1.41 O ATOM 1811 CB MET A 647 21.614 -3.518 -3.941 1.00 1.39 C ATOM 1812 CG MET A 647 21.527 -4.051 -2.503 1.00 2.14 C ATOM 1813 SD MET A 647 22.017 -2.859 -1.227 1.00 2.04 S ATOM 1814 CE MET A 647 20.555 -1.788 -1.240 1.00 1.55 C ATOM 0 H MET A 647 21.474 -2.805 -6.224 1.00 1.39 H new ATOM 0 HA MET A 647 21.338 -5.370 -5.068 1.00 1.40 H new ATOM 0 HB2 MET A 647 22.664 -3.438 -4.222 1.00 1.39 H new ATOM 0 HB3 MET A 647 21.199 -2.510 -3.967 1.00 1.39 H new ATOM 0 HG2 MET A 647 20.503 -4.371 -2.309 1.00 2.14 H new ATOM 0 HG3 MET A 647 22.159 -4.935 -2.418 1.00 2.14 H new ATOM 0 HE1 MET A 647 20.608 -1.089 -0.405 1.00 1.55 H new ATOM 0 HE2 MET A 647 20.520 -1.232 -2.177 1.00 1.55 H new ATOM 0 HE3 MET A 647 19.656 -2.398 -1.146 1.00 1.55 H new ATOM 1824 N MET A 648 18.595 -3.542 -4.648 1.00 1.13 N ATOM 1825 CA MET A 648 17.183 -3.594 -4.250 1.00 1.05 C ATOM 1826 C MET A 648 16.363 -4.452 -5.219 1.00 1.08 C ATOM 1827 O MET A 648 15.479 -5.188 -4.791 1.00 1.11 O ATOM 1828 CB MET A 648 16.608 -2.171 -4.149 1.00 0.96 C ATOM 1829 CG MET A 648 17.247 -1.302 -3.057 1.00 0.98 C ATOM 1830 SD MET A 648 16.468 -1.338 -1.417 1.00 1.24 S ATOM 1831 CE MET A 648 16.645 -3.068 -0.897 1.00 1.60 C ATOM 0 H MET A 648 18.888 -2.628 -4.994 1.00 1.13 H new ATOM 0 HA MET A 648 17.121 -4.063 -3.268 1.00 1.05 H new ATOM 0 HB2 MET A 648 16.733 -1.673 -5.111 1.00 0.96 H new ATOM 0 HB3 MET A 648 15.536 -2.238 -3.961 1.00 0.96 H new ATOM 0 HG2 MET A 648 18.287 -1.608 -2.945 1.00 0.98 H new ATOM 0 HG3 MET A 648 17.255 -0.270 -3.406 1.00 0.98 H new ATOM 0 HE1 MET A 648 16.541 -3.135 0.186 1.00 1.60 H new ATOM 0 HE2 MET A 648 15.873 -3.672 -1.374 1.00 1.60 H new ATOM 0 HE3 MET A 648 17.628 -3.437 -1.190 1.00 1.60 H new ATOM 1841 N ARG A 649 16.716 -4.437 -6.510 1.00 1.12 N ATOM 1842 CA ARG A 649 16.179 -5.344 -7.537 1.00 1.22 C ATOM 1843 C ARG A 649 16.320 -6.804 -7.117 1.00 1.34 C ATOM 1844 O ARG A 649 15.305 -7.486 -6.975 1.00 1.41 O ATOM 1845 CB ARG A 649 16.852 -5.001 -8.869 1.00 1.29 C ATOM 1846 CG ARG A 649 16.930 -6.089 -9.940 1.00 1.80 C ATOM 1847 CD ARG A 649 15.599 -6.684 -10.412 1.00 1.72 C ATOM 1848 NE ARG A 649 15.821 -7.561 -11.577 1.00 2.39 N ATOM 1849 CZ ARG A 649 16.118 -7.188 -12.810 1.00 3.02 C ATOM 1850 NH1 ARG A 649 16.145 -5.945 -13.186 1.00 3.92 N ATOM 1851 NH2 ARG A 649 16.425 -8.056 -13.724 1.00 3.99 N ATOM 0 H ARG A 649 17.400 -3.778 -6.881 1.00 1.12 H new ATOM 0 HA ARG A 649 15.105 -5.204 -7.661 1.00 1.22 H new ATOM 0 HB2 ARG A 649 16.326 -4.148 -9.298 1.00 1.29 H new ATOM 0 HB3 ARG A 649 17.869 -4.672 -8.653 1.00 1.29 H new ATOM 0 HG2 ARG A 649 17.446 -5.677 -10.807 1.00 1.80 H new ATOM 0 HG3 ARG A 649 17.549 -6.900 -9.557 1.00 1.80 H new ATOM 0 HD2 ARG A 649 15.138 -7.251 -9.603 1.00 1.72 H new ATOM 0 HD3 ARG A 649 14.907 -5.884 -10.676 1.00 1.72 H new ATOM 0 HE ARG A 649 15.736 -8.564 -11.414 1.00 2.39 H new ATOM 0 HH11 ARG A 649 15.931 -5.205 -12.517 1.00 3.92 H new ATOM 0 HH12 ARG A 649 16.380 -5.709 -14.150 1.00 3.92 H new ATOM 0 HH21 ARG A 649 16.441 -9.051 -13.498 1.00 3.99 H new ATOM 0 HH22 ARG A 649 16.650 -7.744 -14.669 1.00 3.99 H new ATOM 1865 N ARG A 650 17.550 -7.270 -6.853 1.00 1.41 N ATOM 1866 CA ARG A 650 17.766 -8.675 -6.449 1.00 1.59 C ATOM 1867 C ARG A 650 17.097 -9.029 -5.123 1.00 1.62 C ATOM 1868 O ARG A 650 16.534 -10.111 -4.988 1.00 1.77 O ATOM 1869 CB ARG A 650 19.237 -9.107 -6.504 1.00 1.82 C ATOM 1870 CG ARG A 650 20.289 -8.365 -5.665 1.00 1.78 C ATOM 1871 CD ARG A 650 20.418 -8.798 -4.194 1.00 2.34 C ATOM 1872 NE ARG A 650 20.782 -10.223 -4.040 1.00 3.33 N ATOM 1873 CZ ARG A 650 21.495 -10.766 -3.068 1.00 4.16 C ATOM 1874 NH1 ARG A 650 21.999 -10.079 -2.087 1.00 4.36 N ATOM 1875 NH2 ARG A 650 21.709 -12.045 -3.061 1.00 5.47 N ATOM 0 H ARG A 650 18.400 -6.709 -6.909 1.00 1.41 H new ATOM 0 HA ARG A 650 17.257 -9.269 -7.208 1.00 1.59 H new ATOM 0 HB2 ARG A 650 19.277 -10.158 -6.218 1.00 1.82 H new ATOM 0 HB3 ARG A 650 19.553 -9.048 -7.546 1.00 1.82 H new ATOM 0 HG2 ARG A 650 21.260 -8.490 -6.145 1.00 1.78 H new ATOM 0 HG3 ARG A 650 20.057 -7.300 -5.689 1.00 1.78 H new ATOM 0 HD2 ARG A 650 21.172 -8.181 -3.704 1.00 2.34 H new ATOM 0 HD3 ARG A 650 19.473 -8.613 -3.682 1.00 2.34 H new ATOM 0 HE ARG A 650 20.446 -10.858 -4.764 1.00 3.33 H new ATOM 0 HH11 ARG A 650 21.852 -9.071 -2.042 1.00 4.36 H new ATOM 0 HH12 ARG A 650 22.542 -10.548 -1.362 1.00 4.36 H new ATOM 0 HH21 ARG A 650 21.328 -12.630 -3.804 1.00 5.47 H new ATOM 0 HH22 ARG A 650 22.259 -12.466 -2.312 1.00 5.47 H new ATOM 1889 N ALA A 651 17.088 -8.083 -4.187 1.00 1.50 N ATOM 1890 CA ALA A 651 16.469 -8.230 -2.868 1.00 1.52 C ATOM 1891 C ALA A 651 14.959 -8.542 -2.912 1.00 1.51 C ATOM 1892 O ALA A 651 14.424 -9.127 -1.967 1.00 1.62 O ATOM 1893 CB ALA A 651 16.680 -6.930 -2.089 1.00 1.43 C ATOM 0 H ALA A 651 17.521 -7.170 -4.326 1.00 1.50 H new ATOM 0 HA ALA A 651 16.947 -9.084 -2.388 1.00 1.52 H new ATOM 0 HB1 ALA A 651 16.226 -7.019 -1.102 1.00 1.43 H new ATOM 0 HB2 ALA A 651 17.748 -6.740 -1.981 1.00 1.43 H new ATOM 0 HB3 ALA A 651 16.217 -6.104 -2.628 1.00 1.43 H new ATOM 1899 N PHE A 652 14.269 -8.146 -3.984 1.00 1.42 N ATOM 1900 CA PHE A 652 12.859 -8.459 -4.223 1.00 1.48 C ATOM 1901 C PHE A 652 12.640 -9.730 -5.054 1.00 1.74 C ATOM 1902 O PHE A 652 11.819 -10.566 -4.681 1.00 1.87 O ATOM 1903 CB PHE A 652 12.201 -7.254 -4.891 1.00 1.30 C ATOM 1904 CG PHE A 652 12.054 -6.030 -4.013 1.00 1.10 C ATOM 1905 CD1 PHE A 652 11.461 -6.114 -2.738 1.00 1.64 C ATOM 1906 CD2 PHE A 652 12.476 -4.785 -4.505 1.00 2.19 C ATOM 1907 CE1 PHE A 652 11.274 -4.951 -1.973 1.00 1.61 C ATOM 1908 CE2 PHE A 652 12.290 -3.620 -3.740 1.00 2.43 C ATOM 1909 CZ PHE A 652 11.668 -3.701 -2.482 1.00 1.48 C ATOM 0 H PHE A 652 14.686 -7.585 -4.727 1.00 1.42 H new ATOM 0 HA PHE A 652 12.398 -8.666 -3.257 1.00 1.48 H new ATOM 0 HB2 PHE A 652 12.785 -6.982 -5.770 1.00 1.30 H new ATOM 0 HB3 PHE A 652 11.213 -7.549 -5.244 1.00 1.30 H new ATOM 0 HD1 PHE A 652 11.150 -7.072 -2.349 1.00 1.64 H new ATOM 0 HD2 PHE A 652 12.946 -4.722 -5.475 1.00 2.19 H new ATOM 0 HE1 PHE A 652 10.827 -5.017 -0.992 1.00 1.61 H new ATOM 0 HE2 PHE A 652 12.624 -2.665 -4.118 1.00 2.43 H new ATOM 0 HZ PHE A 652 11.493 -2.804 -1.907 1.00 1.48 H new ATOM 1919 N GLU A 653 13.381 -9.939 -6.147 1.00 1.91 N ATOM 1920 CA GLU A 653 13.185 -11.128 -7.003 1.00 2.27 C ATOM 1921 C GLU A 653 13.645 -12.452 -6.370 1.00 2.41 C ATOM 1922 O GLU A 653 13.357 -13.533 -6.893 1.00 2.58 O ATOM 1923 CB GLU A 653 13.733 -10.910 -8.414 1.00 2.70 C ATOM 1924 CG GLU A 653 15.236 -10.652 -8.474 1.00 1.73 C ATOM 1925 CD GLU A 653 15.740 -10.282 -9.883 1.00 2.21 C ATOM 1926 OE1 GLU A 653 14.932 -10.255 -10.849 1.00 2.78 O ATOM 1927 OE2 GLU A 653 16.943 -9.970 -10.067 1.00 3.45 O ATOM 0 H GLU A 653 14.118 -9.309 -6.464 1.00 1.91 H new ATOM 0 HA GLU A 653 12.105 -11.246 -7.096 1.00 2.27 H new ATOM 0 HB2 GLU A 653 13.503 -11.787 -9.019 1.00 2.70 H new ATOM 0 HB3 GLU A 653 13.213 -10.065 -8.866 1.00 2.70 H new ATOM 0 HG2 GLU A 653 15.486 -9.846 -7.784 1.00 1.73 H new ATOM 0 HG3 GLU A 653 15.763 -11.542 -8.130 1.00 1.73 H new ATOM 1934 N THR A 654 14.303 -12.365 -5.214 1.00 2.43 N ATOM 1935 CA THR A 654 14.584 -13.496 -4.311 1.00 2.73 C ATOM 1936 C THR A 654 13.372 -13.836 -3.444 1.00 2.88 C ATOM 1937 O THR A 654 12.800 -14.914 -3.571 1.00 3.60 O ATOM 1938 CB THR A 654 15.886 -13.288 -3.514 1.00 2.71 C ATOM 1939 OG1 THR A 654 16.212 -14.390 -2.693 1.00 3.11 O ATOM 1940 CG2 THR A 654 15.841 -12.093 -2.567 1.00 2.36 C ATOM 0 H THR A 654 14.669 -11.480 -4.863 1.00 2.43 H new ATOM 0 HA THR A 654 14.764 -14.379 -4.924 1.00 2.73 H new ATOM 0 HB THR A 654 16.625 -13.137 -4.300 1.00 2.71 H new ATOM 0 HG1 THR A 654 17.046 -14.205 -2.213 1.00 3.11 H new ATOM 0 HG21 THR A 654 16.792 -12.010 -2.041 1.00 2.36 H new ATOM 0 HG22 THR A 654 15.662 -11.182 -3.139 1.00 2.36 H new ATOM 0 HG23 THR A 654 15.037 -12.232 -1.844 1.00 2.36 H new ATOM 1948 N VAL A 655 12.889 -12.894 -2.635 1.00 2.37 N ATOM 1949 CA VAL A 655 11.750 -13.083 -1.721 1.00 2.47 C ATOM 1950 C VAL A 655 10.464 -13.414 -2.479 1.00 2.65 C ATOM 1951 O VAL A 655 9.690 -14.252 -2.024 1.00 2.89 O ATOM 1952 CB VAL A 655 11.602 -11.857 -0.804 1.00 2.27 C ATOM 1953 CG1 VAL A 655 11.351 -10.573 -1.582 1.00 2.05 C ATOM 1954 CG2 VAL A 655 10.545 -12.055 0.289 1.00 2.45 C ATOM 0 H VAL A 655 13.284 -11.955 -2.592 1.00 2.37 H new ATOM 0 HA VAL A 655 11.950 -13.947 -1.087 1.00 2.47 H new ATOM 0 HB VAL A 655 12.564 -11.752 -0.303 1.00 2.27 H new ATOM 0 HG11 VAL A 655 11.254 -9.739 -0.887 1.00 2.05 H new ATOM 0 HG12 VAL A 655 12.186 -10.387 -2.257 1.00 2.05 H new ATOM 0 HG13 VAL A 655 10.432 -10.672 -2.160 1.00 2.05 H new ATOM 0 HG21 VAL A 655 10.485 -11.157 0.904 1.00 2.45 H new ATOM 0 HG22 VAL A 655 9.576 -12.244 -0.172 1.00 2.45 H new ATOM 0 HG23 VAL A 655 10.822 -12.905 0.913 1.00 2.45 H new