USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1139 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 559 LYS NZ :NH3+ 170:sc= 0.185 (180deg=-0.00822) USER MOD Set 1.2: A 637 ASN : amide:sc= -0.125 K(o=0.06,f=-2.9) USER MOD Set 2.1: A 593 THR OG1 : rot 180:sc= -0.159 USER MOD Set 2.2: A 596 ASN : amide:sc= -0.048 K(o=-0.45,f=-2.5!) USER MOD Set 2.3: A 599 MET CE :methyl 165:sc= -0.244 (180deg=-0.79) USER MOD Set 3.1: A 585 GLN : amide:sc= 0.661 K(o=1.9,f=-1.9) USER MOD Set 3.2: A 586 HIS : no HE2:sc= 1.19 K(o=1.9,f=-6.8!) USER MOD Set 4.1: A 537 LYS NZ :NH3+ -153:sc= 0.0865 (180deg=0) USER MOD Set 4.2: A 541 SER OG : rot 68:sc= 1.31 USER MOD Single : A 534 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 535 CYS SG : rot -28:sc= 0.0548 USER MOD Single : A 542 MET CE :methyl 140:sc= -0.236 (180deg=-0.97) USER MOD Single : A 547 ASN : amide:sc=-0.00155 X(o=-0.0016,f=-0.11) USER MOD Single : A 551 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 554 THR OG1 : rot 111:sc= 1.25 USER MOD Single : A 556 MET CE :methyl -156:sc= -0.762 (180deg=-0.933) USER MOD Single : A 558 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.041) USER MOD Single : A 570 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 THR OG1 : rot 169:sc= 1.4 USER MOD Single : A 579 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0592) USER MOD Single : A 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 581 MET CE :methyl -162:sc= 0 (180deg=-0.0777) USER MOD Single : A 582 TYR OH : rot 178:sc= 0.646 USER MOD Single : A 590 SER OG : rot 90:sc= 1.32 USER MOD Single : A 594 LYS NZ :NH3+ 138:sc= 1.04 (180deg=-0.0314) USER MOD Single : A 597 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 83:sc= 1.24 USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 611 CYS SG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 THR OG1 : rot 180:sc= 0 USER MOD Single : A 621 SER OG : rot 180:sc= 0 USER MOD Single : A 626 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 628 CYS SG : rot 19:sc= -0.463 USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 SER OG : rot 30:sc= 0.731 USER MOD Single : A 634 SER OG : rot 180:sc= 0.594 USER MOD Single : A 639 ASN : amide:sc= 1.2 K(o=1.2,f=-0.024) USER MOD Single : A 645 TYR OH : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl -179:sc= -0.182 (180deg=-0.187) USER MOD Single : A 648 MET CE :methyl -173:sc= -0.0244 (180deg=-0.103) USER MOD Single : A 654 THR OG1 : rot 180:sc= 0 USER MOD Single : A 665 LYS NZ :NH3+ 160:sc= 1.29 (180deg=1.19) USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 ASN : amide:sc= 0.316 X(o=0.32,f=0) USER MOD Single : A 668 SER OG : rot 180:sc= 0 USER MOD Single : A 672 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 534 4.705 13.528 6.133 1.00 3.84 N ATOM 2 CA ASN A 534 6.046 12.970 5.894 1.00 3.40 C ATOM 3 C ASN A 534 6.011 11.540 5.307 1.00 2.53 C ATOM 4 O ASN A 534 6.478 10.583 5.932 1.00 3.06 O ATOM 5 CB ASN A 534 6.907 13.105 7.174 1.00 4.95 C ATOM 6 CG ASN A 534 7.052 14.532 7.684 1.00 5.87 C ATOM 7 OD1 ASN A 534 6.921 15.505 6.950 1.00 6.00 O ATOM 8 ND2 ASN A 534 7.311 14.703 8.958 1.00 7.33 N ATOM 0 HA ASN A 534 6.530 13.557 5.114 1.00 3.40 H new ATOM 0 HB2 ASN A 534 6.465 12.494 7.961 1.00 4.95 H new ATOM 0 HB3 ASN A 534 7.899 12.700 6.975 1.00 4.95 H new ATOM 0 HD21 ASN A 534 7.403 15.645 9.338 1.00 7.33 H new ATOM 0 HD22 ASN A 534 7.420 13.894 9.569 1.00 7.33 H new ATOM 15 N CYS A 535 5.471 11.372 4.092 1.00 1.86 N ATOM 16 CA CYS A 535 5.345 10.065 3.433 1.00 1.72 C ATOM 17 C CYS A 535 6.686 9.312 3.295 1.00 1.29 C ATOM 18 O CYS A 535 6.690 8.078 3.311 1.00 1.32 O ATOM 19 CB CYS A 535 4.663 10.251 2.071 1.00 2.61 C ATOM 20 SG CYS A 535 4.180 8.631 1.404 1.00 4.03 S ATOM 0 H CYS A 535 5.107 12.145 3.535 1.00 1.86 H new ATOM 0 HA CYS A 535 4.729 9.432 4.072 1.00 1.72 H new ATOM 0 HB2 CYS A 535 3.785 10.888 2.177 1.00 2.61 H new ATOM 0 HB3 CYS A 535 5.340 10.753 1.380 1.00 2.61 H new ATOM 0 HG CYS A 535 4.986 7.717 1.858 1.00 4.03 H new ATOM 26 N ARG A 536 7.826 10.026 3.262 1.00 1.22 N ATOM 27 CA ARG A 536 9.180 9.440 3.326 1.00 1.18 C ATOM 28 C ARG A 536 9.408 8.572 4.572 1.00 1.24 C ATOM 29 O ARG A 536 10.134 7.585 4.493 1.00 1.57 O ATOM 30 CB ARG A 536 10.243 10.555 3.205 1.00 1.55 C ATOM 31 CG ARG A 536 10.378 11.401 4.483 1.00 2.20 C ATOM 32 CD ARG A 536 11.350 12.573 4.342 1.00 2.75 C ATOM 33 NE ARG A 536 11.576 13.174 5.665 1.00 3.45 N ATOM 34 CZ ARG A 536 11.106 14.306 6.154 1.00 4.74 C ATOM 35 NH1 ARG A 536 10.484 15.199 5.439 1.00 5.81 N ATOM 36 NH2 ARG A 536 11.244 14.530 7.421 1.00 5.59 N ATOM 0 H ARG A 536 7.834 11.043 3.189 1.00 1.22 H new ATOM 0 HA ARG A 536 9.279 8.761 2.479 1.00 1.18 H new ATOM 0 HB2 ARG A 536 11.208 10.105 2.971 1.00 1.55 H new ATOM 0 HB3 ARG A 536 9.984 11.207 2.371 1.00 1.55 H new ATOM 0 HG2 ARG A 536 9.396 11.785 4.759 1.00 2.20 H new ATOM 0 HG3 ARG A 536 10.711 10.760 5.299 1.00 2.20 H new ATOM 0 HD2 ARG A 536 12.294 12.229 3.919 1.00 2.75 H new ATOM 0 HD3 ARG A 536 10.945 13.317 3.656 1.00 2.75 H new ATOM 0 HE ARG A 536 12.180 12.642 6.292 1.00 3.45 H new ATOM 0 HH11 ARG A 536 10.337 15.042 4.442 1.00 5.81 H new ATOM 0 HH12 ARG A 536 10.144 16.055 5.876 1.00 5.81 H new ATOM 0 HH21 ARG A 536 11.706 13.840 8.013 1.00 5.59 H new ATOM 0 HH22 ARG A 536 10.891 15.396 7.827 1.00 5.59 H new ATOM 50 N LYS A 537 8.786 8.908 5.712 1.00 1.19 N ATOM 51 CA LYS A 537 8.760 8.088 6.933 1.00 1.23 C ATOM 52 C LYS A 537 7.694 6.999 6.852 1.00 1.14 C ATOM 53 O LYS A 537 7.943 5.873 7.269 1.00 1.27 O ATOM 54 CB LYS A 537 8.573 9.002 8.163 1.00 1.38 C ATOM 55 CG LYS A 537 8.561 8.232 9.497 1.00 1.92 C ATOM 56 CD LYS A 537 7.158 7.817 9.976 1.00 2.67 C ATOM 57 CE LYS A 537 7.253 6.857 11.168 1.00 3.43 C ATOM 58 NZ LYS A 537 5.948 6.214 11.446 1.00 4.56 N ATOM 0 H LYS A 537 8.272 9.783 5.813 1.00 1.19 H new ATOM 0 HA LYS A 537 9.713 7.570 7.036 1.00 1.23 H new ATOM 0 HB2 LYS A 537 9.375 9.740 8.184 1.00 1.38 H new ATOM 0 HB3 LYS A 537 7.637 9.551 8.060 1.00 1.38 H new ATOM 0 HG2 LYS A 537 9.176 7.338 9.393 1.00 1.92 H new ATOM 0 HG3 LYS A 537 9.026 8.851 10.264 1.00 1.92 H new ATOM 0 HD2 LYS A 537 6.589 8.702 10.260 1.00 2.67 H new ATOM 0 HD3 LYS A 537 6.617 7.339 9.160 1.00 2.67 H new ATOM 0 HE2 LYS A 537 8.002 6.092 10.963 1.00 3.43 H new ATOM 0 HE3 LYS A 537 7.588 7.402 12.051 1.00 3.43 H new ATOM 0 HZ1 LYS A 537 5.895 5.957 12.452 1.00 4.56 H new ATOM 0 HZ2 LYS A 537 5.179 6.876 11.217 1.00 4.56 H new ATOM 0 HZ3 LYS A 537 5.852 5.357 10.864 1.00 4.56 H new ATOM 72 N LEU A 538 6.513 7.334 6.333 1.00 1.04 N ATOM 73 CA LEU A 538 5.326 6.465 6.332 1.00 1.04 C ATOM 74 C LEU A 538 5.612 5.178 5.542 1.00 0.99 C ATOM 75 O LEU A 538 5.593 4.086 6.100 1.00 1.23 O ATOM 76 CB LEU A 538 4.122 7.265 5.779 1.00 1.12 C ATOM 77 CG LEU A 538 2.705 6.779 6.152 1.00 1.17 C ATOM 78 CD1 LEU A 538 2.448 5.301 5.858 1.00 2.70 C ATOM 79 CD2 LEU A 538 2.380 7.053 7.620 1.00 1.74 C ATOM 0 H LEU A 538 6.346 8.238 5.890 1.00 1.04 H new ATOM 0 HA LEU A 538 5.076 6.151 7.345 1.00 1.04 H new ATOM 0 HB2 LEU A 538 4.222 8.297 6.116 1.00 1.12 H new ATOM 0 HB3 LEU A 538 4.197 7.276 4.692 1.00 1.12 H new ATOM 0 HG LEU A 538 2.046 7.359 5.506 1.00 1.17 H new ATOM 0 HD11 LEU A 538 1.430 5.044 6.150 1.00 2.70 H new ATOM 0 HD12 LEU A 538 2.578 5.114 4.792 1.00 2.70 H new ATOM 0 HD13 LEU A 538 3.153 4.690 6.422 1.00 2.70 H new ATOM 0 HD21 LEU A 538 1.374 6.696 7.843 1.00 1.74 H new ATOM 0 HD22 LEU A 538 3.098 6.534 8.255 1.00 1.74 H new ATOM 0 HD23 LEU A 538 2.436 8.125 7.811 1.00 1.74 H new ATOM 91 N VAL A 539 6.013 5.310 4.276 1.00 0.82 N ATOM 92 CA VAL A 539 6.391 4.168 3.424 1.00 0.81 C ATOM 93 C VAL A 539 7.607 3.413 4.001 1.00 0.89 C ATOM 94 O VAL A 539 7.647 2.185 3.976 1.00 1.00 O ATOM 95 CB VAL A 539 6.558 4.661 1.974 1.00 0.70 C ATOM 96 CG1 VAL A 539 7.981 5.119 1.680 1.00 0.71 C ATOM 97 CG2 VAL A 539 6.123 3.580 0.988 1.00 0.79 C ATOM 0 H VAL A 539 6.087 6.212 3.806 1.00 0.82 H new ATOM 0 HA VAL A 539 5.599 3.419 3.411 1.00 0.81 H new ATOM 0 HB VAL A 539 5.912 5.530 1.852 1.00 0.70 H new ATOM 0 HG11 VAL A 539 8.048 5.457 0.646 1.00 0.71 H new ATOM 0 HG12 VAL A 539 8.245 5.939 2.348 1.00 0.71 H new ATOM 0 HG13 VAL A 539 8.670 4.289 1.836 1.00 0.71 H new ATOM 0 HG21 VAL A 539 6.248 3.946 -0.031 1.00 0.79 H new ATOM 0 HG22 VAL A 539 6.735 2.689 1.131 1.00 0.79 H new ATOM 0 HG23 VAL A 539 5.075 3.332 1.159 1.00 0.79 H new ATOM 107 N ALA A 540 8.553 4.123 4.629 1.00 0.92 N ATOM 108 CA ALA A 540 9.735 3.540 5.268 1.00 1.08 C ATOM 109 C ALA A 540 9.451 2.797 6.588 1.00 1.27 C ATOM 110 O ALA A 540 10.359 2.159 7.130 1.00 1.40 O ATOM 111 CB ALA A 540 10.773 4.643 5.488 1.00 1.16 C ATOM 0 H ALA A 540 8.515 5.139 4.707 1.00 0.92 H new ATOM 0 HA ALA A 540 10.112 2.774 4.590 1.00 1.08 H new ATOM 0 HB1 ALA A 540 11.658 4.220 5.964 1.00 1.16 H new ATOM 0 HB2 ALA A 540 11.050 5.079 4.528 1.00 1.16 H new ATOM 0 HB3 ALA A 540 10.351 5.417 6.129 1.00 1.16 H new ATOM 117 N SER A 541 8.222 2.840 7.117 1.00 1.35 N ATOM 118 CA SER A 541 7.847 2.242 8.396 1.00 1.60 C ATOM 119 C SER A 541 7.474 0.759 8.265 1.00 1.66 C ATOM 120 O SER A 541 7.154 0.092 9.253 1.00 1.80 O ATOM 121 CB SER A 541 6.711 3.046 8.998 1.00 1.75 C ATOM 122 OG SER A 541 7.128 4.362 9.314 1.00 2.72 O ATOM 0 H SER A 541 7.443 3.305 6.651 1.00 1.35 H new ATOM 0 HA SER A 541 8.712 2.273 9.059 1.00 1.60 H new ATOM 0 HB2 SER A 541 5.877 3.084 8.297 1.00 1.75 H new ATOM 0 HB3 SER A 541 6.348 2.550 9.898 1.00 1.75 H new ATOM 0 HG SER A 541 7.314 4.854 8.487 1.00 2.72 H new ATOM 128 N MET A 542 7.512 0.242 7.035 1.00 1.63 N ATOM 129 CA MET A 542 7.262 -1.140 6.658 1.00 1.72 C ATOM 130 C MET A 542 8.540 -1.996 6.705 1.00 1.71 C ATOM 131 O MET A 542 9.618 -1.498 6.367 1.00 1.64 O ATOM 132 CB MET A 542 6.663 -1.143 5.243 1.00 1.64 C ATOM 133 CG MET A 542 5.134 -1.106 5.290 1.00 1.89 C ATOM 134 SD MET A 542 4.326 -2.726 5.400 1.00 3.42 S ATOM 135 CE MET A 542 3.729 -2.876 3.701 1.00 2.23 C ATOM 0 H MET A 542 7.734 0.822 6.226 1.00 1.63 H new ATOM 0 HA MET A 542 6.569 -1.584 7.372 1.00 1.72 H new ATOM 0 HB2 MET A 542 7.033 -0.282 4.687 1.00 1.64 H new ATOM 0 HB3 MET A 542 6.992 -2.034 4.708 1.00 1.64 H new ATOM 0 HG2 MET A 542 4.827 -0.506 6.147 1.00 1.89 H new ATOM 0 HG3 MET A 542 4.771 -0.597 4.397 1.00 1.89 H new ATOM 0 HE1 MET A 542 3.862 -3.902 3.358 1.00 2.23 H new ATOM 0 HE2 MET A 542 2.671 -2.615 3.663 1.00 2.23 H new ATOM 0 HE3 MET A 542 4.293 -2.202 3.056 1.00 2.23 H new ATOM 145 N PRO A 543 8.438 -3.305 6.996 1.00 1.80 N ATOM 146 CA PRO A 543 9.555 -4.256 6.934 1.00 1.79 C ATOM 147 C PRO A 543 10.057 -4.465 5.494 1.00 1.55 C ATOM 148 O PRO A 543 11.205 -4.847 5.271 1.00 1.53 O ATOM 149 CB PRO A 543 9.003 -5.552 7.537 1.00 2.01 C ATOM 150 CG PRO A 543 7.515 -5.485 7.198 1.00 1.96 C ATOM 151 CD PRO A 543 7.207 -3.994 7.331 1.00 1.92 C ATOM 0 HA PRO A 543 10.424 -3.891 7.481 1.00 1.79 H new ATOM 0 HB2 PRO A 543 9.476 -6.432 7.102 1.00 2.01 H new ATOM 0 HB3 PRO A 543 9.170 -5.599 8.613 1.00 2.01 H new ATOM 0 HG2 PRO A 543 7.312 -5.852 6.192 1.00 1.96 H new ATOM 0 HG3 PRO A 543 6.916 -6.085 7.883 1.00 1.96 H new ATOM 0 HD2 PRO A 543 6.399 -3.700 6.660 1.00 1.92 H new ATOM 0 HD3 PRO A 543 6.885 -3.750 8.343 1.00 1.92 H new ATOM 159 N LEU A 544 9.221 -4.135 4.501 1.00 1.45 N ATOM 160 CA LEU A 544 9.597 -4.075 3.086 1.00 1.34 C ATOM 161 C LEU A 544 10.662 -2.987 2.806 1.00 1.27 C ATOM 162 O LEU A 544 11.421 -3.084 1.845 1.00 1.27 O ATOM 163 CB LEU A 544 8.342 -3.811 2.228 1.00 1.52 C ATOM 164 CG LEU A 544 7.031 -4.551 2.543 1.00 2.32 C ATOM 165 CD1 LEU A 544 6.032 -4.277 1.416 1.00 2.28 C ATOM 166 CD2 LEU A 544 7.174 -6.063 2.662 1.00 3.50 C ATOM 0 H LEU A 544 8.243 -3.897 4.665 1.00 1.45 H new ATOM 0 HA LEU A 544 10.038 -5.036 2.822 1.00 1.34 H new ATOM 0 HB2 LEU A 544 8.132 -2.743 2.279 1.00 1.52 H new ATOM 0 HB3 LEU A 544 8.602 -4.036 1.194 1.00 1.52 H new ATOM 0 HG LEU A 544 6.701 -4.178 3.512 1.00 2.32 H new ATOM 0 HD11 LEU A 544 5.096 -4.796 1.625 1.00 2.28 H new ATOM 0 HD12 LEU A 544 5.845 -3.205 1.348 1.00 2.28 H new ATOM 0 HD13 LEU A 544 6.442 -4.635 0.472 1.00 2.28 H new ATOM 0 HD21 LEU A 544 6.202 -6.504 2.885 1.00 3.50 H new ATOM 0 HD22 LEU A 544 7.549 -6.468 1.722 1.00 3.50 H new ATOM 0 HD23 LEU A 544 7.873 -6.300 3.464 1.00 3.50 H new ATOM 178 N PHE A 545 10.741 -1.963 3.664 1.00 1.28 N ATOM 179 CA PHE A 545 11.646 -0.811 3.579 1.00 1.24 C ATOM 180 C PHE A 545 12.555 -0.695 4.821 1.00 1.32 C ATOM 181 O PHE A 545 13.068 0.383 5.124 1.00 1.35 O ATOM 182 CB PHE A 545 10.831 0.473 3.380 1.00 1.20 C ATOM 183 CG PHE A 545 9.995 0.570 2.119 1.00 1.09 C ATOM 184 CD1 PHE A 545 8.708 0.008 2.092 1.00 1.74 C ATOM 185 CD2 PHE A 545 10.446 1.332 1.025 1.00 2.27 C ATOM 186 CE1 PHE A 545 7.846 0.256 1.013 1.00 1.74 C ATOM 187 CE2 PHE A 545 9.580 1.597 -0.050 1.00 2.25 C ATOM 188 CZ PHE A 545 8.269 1.090 -0.034 1.00 1.03 C ATOM 0 H PHE A 545 10.138 -1.914 4.486 1.00 1.28 H new ATOM 0 HA PHE A 545 12.301 -0.960 2.721 1.00 1.24 H new ATOM 0 HB2 PHE A 545 10.167 0.588 4.236 1.00 1.20 H new ATOM 0 HB3 PHE A 545 11.520 1.317 3.395 1.00 1.20 H new ATOM 0 HD1 PHE A 545 8.380 -0.619 2.907 1.00 1.74 H new ATOM 0 HD2 PHE A 545 11.457 1.713 1.011 1.00 2.27 H new ATOM 0 HE1 PHE A 545 6.864 -0.192 0.988 1.00 1.74 H new ATOM 0 HE2 PHE A 545 9.921 2.189 -0.886 1.00 2.25 H new ATOM 0 HZ PHE A 545 7.585 1.343 -0.830 1.00 1.03 H new ATOM 198 N ALA A 546 12.779 -1.791 5.550 1.00 1.43 N ATOM 199 CA ALA A 546 13.620 -1.841 6.751 1.00 1.60 C ATOM 200 C ALA A 546 15.066 -1.433 6.472 1.00 1.58 C ATOM 201 O ALA A 546 15.780 -0.934 7.347 1.00 1.68 O ATOM 202 CB ALA A 546 13.629 -3.297 7.197 1.00 1.80 C ATOM 0 H ALA A 546 12.369 -2.695 5.315 1.00 1.43 H new ATOM 0 HA ALA A 546 13.222 -1.152 7.496 1.00 1.60 H new ATOM 0 HB1 ALA A 546 14.242 -3.399 8.092 1.00 1.80 H new ATOM 0 HB2 ALA A 546 12.610 -3.617 7.416 1.00 1.80 H new ATOM 0 HB3 ALA A 546 14.041 -3.919 6.402 1.00 1.80 H new ATOM 208 N ASN A 547 15.479 -1.706 5.240 1.00 1.51 N ATOM 209 CA ASN A 547 16.845 -1.712 4.763 1.00 1.51 C ATOM 210 C ASN A 547 17.018 -0.744 3.569 1.00 1.40 C ATOM 211 O ASN A 547 18.072 -0.699 2.935 1.00 1.50 O ATOM 212 CB ASN A 547 17.158 -3.189 4.457 1.00 1.68 C ATOM 213 CG ASN A 547 16.812 -4.161 5.585 1.00 2.02 C ATOM 214 OD1 ASN A 547 16.114 -5.148 5.391 1.00 3.08 O ATOM 215 ND2 ASN A 547 17.235 -3.892 6.800 1.00 2.90 N ATOM 0 H ASN A 547 14.817 -1.945 4.501 1.00 1.51 H new ATOM 0 HA ASN A 547 17.562 -1.337 5.493 1.00 1.51 H new ATOM 0 HB2 ASN A 547 16.612 -3.484 3.561 1.00 1.68 H new ATOM 0 HB3 ASN A 547 18.220 -3.282 4.228 1.00 1.68 H new ATOM 0 HD21 ASN A 547 16.982 -4.504 7.575 1.00 2.90 H new ATOM 0 HD22 ASN A 547 17.817 -3.071 6.967 1.00 2.90 H new ATOM 222 N ALA A 548 15.967 0.029 3.273 1.00 1.28 N ATOM 223 CA ALA A 548 15.870 0.949 2.132 1.00 1.21 C ATOM 224 C ALA A 548 16.866 2.133 2.154 1.00 1.22 C ATOM 225 O ALA A 548 17.183 2.693 3.208 1.00 1.28 O ATOM 226 CB ALA A 548 14.427 1.469 2.044 1.00 1.19 C ATOM 0 H ALA A 548 15.124 0.031 3.847 1.00 1.28 H new ATOM 0 HA ALA A 548 16.146 0.374 1.248 1.00 1.21 H new ATOM 0 HB1 ALA A 548 14.338 2.154 1.201 1.00 1.19 H new ATOM 0 HB2 ALA A 548 13.746 0.630 1.903 1.00 1.19 H new ATOM 0 HB3 ALA A 548 14.172 1.992 2.965 1.00 1.19 H new ATOM 232 N ASP A 549 17.293 2.568 0.963 1.00 1.21 N ATOM 233 CA ASP A 549 18.078 3.792 0.736 1.00 1.22 C ATOM 234 C ASP A 549 17.172 5.048 0.669 1.00 1.20 C ATOM 235 O ASP A 549 16.096 4.988 0.058 1.00 1.03 O ATOM 236 CB ASP A 549 18.903 3.615 -0.552 1.00 1.17 C ATOM 237 CG ASP A 549 19.838 4.795 -0.830 1.00 1.29 C ATOM 238 OD1 ASP A 549 19.389 5.818 -1.390 1.00 2.29 O ATOM 239 OD2 ASP A 549 21.036 4.714 -0.464 1.00 1.95 O ATOM 0 H ASP A 549 17.096 2.062 0.100 1.00 1.21 H new ATOM 0 HA ASP A 549 18.753 3.950 1.577 1.00 1.22 H new ATOM 0 HB2 ASP A 549 19.493 2.701 -0.477 1.00 1.17 H new ATOM 0 HB3 ASP A 549 18.226 3.489 -1.396 1.00 1.17 H new ATOM 244 N PRO A 550 17.577 6.198 1.248 1.00 1.41 N ATOM 245 CA PRO A 550 16.743 7.403 1.314 1.00 1.52 C ATOM 246 C PRO A 550 16.457 8.065 -0.046 1.00 1.39 C ATOM 247 O PRO A 550 15.492 8.826 -0.149 1.00 1.44 O ATOM 248 CB PRO A 550 17.504 8.372 2.228 1.00 1.80 C ATOM 249 CG PRO A 550 18.958 7.944 2.058 1.00 1.72 C ATOM 250 CD PRO A 550 18.824 6.428 1.970 1.00 1.56 C ATOM 0 HA PRO A 550 15.755 7.133 1.688 1.00 1.52 H new ATOM 0 HB2 PRO A 550 17.352 9.409 1.930 1.00 1.80 H new ATOM 0 HB3 PRO A 550 17.178 8.287 3.265 1.00 1.80 H new ATOM 0 HG2 PRO A 550 19.408 8.368 1.160 1.00 1.72 H new ATOM 0 HG3 PRO A 550 19.577 8.252 2.901 1.00 1.72 H new ATOM 0 HD2 PRO A 550 19.671 5.987 1.444 1.00 1.56 H new ATOM 0 HD3 PRO A 550 18.794 5.977 2.962 1.00 1.56 H new ATOM 258 N ASN A 551 17.235 7.803 -1.102 1.00 1.30 N ATOM 259 CA ASN A 551 16.910 8.278 -2.451 1.00 1.21 C ATOM 260 C ASN A 551 15.922 7.337 -3.153 1.00 0.91 C ATOM 261 O ASN A 551 14.962 7.809 -3.752 1.00 0.88 O ATOM 262 CB ASN A 551 18.196 8.464 -3.264 1.00 1.38 C ATOM 263 CG ASN A 551 19.170 9.421 -2.606 1.00 1.78 C ATOM 264 OD1 ASN A 551 20.248 9.035 -2.165 1.00 1.89 O ATOM 265 ND2 ASN A 551 18.821 10.680 -2.513 1.00 3.39 N ATOM 0 H ASN A 551 18.098 7.262 -1.047 1.00 1.30 H new ATOM 0 HA ASN A 551 16.416 9.246 -2.370 1.00 1.21 H new ATOM 0 HB2 ASN A 551 18.679 7.496 -3.399 1.00 1.38 H new ATOM 0 HB3 ASN A 551 17.943 8.835 -4.257 1.00 1.38 H new ATOM 0 HD21 ASN A 551 19.448 11.352 -2.070 1.00 3.39 H new ATOM 0 HD22 ASN A 551 17.922 10.989 -2.883 1.00 3.39 H new ATOM 272 N PHE A 552 16.085 6.021 -2.997 1.00 0.77 N ATOM 273 CA PHE A 552 15.176 4.998 -3.541 1.00 0.59 C ATOM 274 C PHE A 552 13.742 5.212 -3.045 1.00 0.57 C ATOM 275 O PHE A 552 12.798 5.307 -3.831 1.00 0.52 O ATOM 276 CB PHE A 552 15.678 3.605 -3.115 1.00 0.61 C ATOM 277 CG PHE A 552 14.645 2.494 -3.215 1.00 0.64 C ATOM 278 CD1 PHE A 552 14.163 2.077 -4.469 1.00 1.62 C ATOM 279 CD2 PHE A 552 14.112 1.924 -2.042 1.00 2.02 C ATOM 280 CE1 PHE A 552 13.151 1.105 -4.549 1.00 1.57 C ATOM 281 CE2 PHE A 552 13.102 0.948 -2.120 1.00 2.16 C ATOM 282 CZ PHE A 552 12.620 0.543 -3.376 1.00 0.92 C ATOM 0 H PHE A 552 16.868 5.624 -2.478 1.00 0.77 H new ATOM 0 HA PHE A 552 15.168 5.076 -4.628 1.00 0.59 H new ATOM 0 HB2 PHE A 552 16.536 3.340 -3.732 1.00 0.61 H new ATOM 0 HB3 PHE A 552 16.031 3.661 -2.085 1.00 0.61 H new ATOM 0 HD1 PHE A 552 14.572 2.505 -5.373 1.00 1.62 H new ATOM 0 HD2 PHE A 552 14.481 2.238 -1.077 1.00 2.02 H new ATOM 0 HE1 PHE A 552 12.781 0.790 -5.513 1.00 1.57 H new ATOM 0 HE2 PHE A 552 12.699 0.512 -1.218 1.00 2.16 H new ATOM 0 HZ PHE A 552 11.840 -0.201 -3.440 1.00 0.92 H new ATOM 292 N VAL A 553 13.596 5.342 -1.726 1.00 0.67 N ATOM 293 CA VAL A 553 12.299 5.487 -1.055 1.00 0.69 C ATOM 294 C VAL A 553 11.612 6.819 -1.379 1.00 0.69 C ATOM 295 O VAL A 553 10.388 6.899 -1.379 1.00 0.69 O ATOM 296 CB VAL A 553 12.524 5.284 0.453 1.00 0.88 C ATOM 297 CG1 VAL A 553 13.132 6.485 1.167 1.00 2.85 C ATOM 298 CG2 VAL A 553 11.249 4.949 1.202 1.00 1.77 C ATOM 0 H VAL A 553 14.387 5.350 -1.082 1.00 0.67 H new ATOM 0 HA VAL A 553 11.608 4.730 -1.425 1.00 0.69 H new ATOM 0 HB VAL A 553 13.226 4.450 0.474 1.00 0.88 H new ATOM 0 HG11 VAL A 553 13.256 6.255 2.225 1.00 2.85 H new ATOM 0 HG12 VAL A 553 14.103 6.715 0.729 1.00 2.85 H new ATOM 0 HG13 VAL A 553 12.472 7.346 1.058 1.00 2.85 H new ATOM 0 HG21 VAL A 553 11.473 4.818 2.261 1.00 1.77 H new ATOM 0 HG22 VAL A 553 10.532 5.761 1.081 1.00 1.77 H new ATOM 0 HG23 VAL A 553 10.825 4.027 0.804 1.00 1.77 H new ATOM 308 N THR A 554 12.404 7.850 -1.681 1.00 0.77 N ATOM 309 CA THR A 554 11.956 9.201 -2.036 1.00 0.85 C ATOM 310 C THR A 554 11.603 9.338 -3.516 1.00 0.80 C ATOM 311 O THR A 554 10.594 9.963 -3.848 1.00 0.84 O ATOM 312 CB THR A 554 13.015 10.237 -1.641 1.00 1.03 C ATOM 313 OG1 THR A 554 13.213 10.217 -0.244 1.00 1.13 O ATOM 314 CG2 THR A 554 12.579 11.650 -1.997 1.00 1.15 C ATOM 0 H THR A 554 13.420 7.764 -1.685 1.00 0.77 H new ATOM 0 HA THR A 554 11.040 9.387 -1.475 1.00 0.85 H new ATOM 0 HB THR A 554 13.925 9.977 -2.183 1.00 1.03 H new ATOM 0 HG1 THR A 554 14.101 9.854 -0.045 1.00 1.13 H new ATOM 0 HG21 THR A 554 13.355 12.356 -1.702 1.00 1.15 H new ATOM 0 HG22 THR A 554 12.415 11.720 -3.072 1.00 1.15 H new ATOM 0 HG23 THR A 554 11.654 11.888 -1.472 1.00 1.15 H new ATOM 322 N ALA A 555 12.385 8.732 -4.419 1.00 0.77 N ATOM 323 CA ALA A 555 12.181 8.853 -5.869 1.00 0.80 C ATOM 324 C ALA A 555 10.800 8.330 -6.299 1.00 0.76 C ATOM 325 O ALA A 555 10.218 8.782 -7.286 1.00 0.86 O ATOM 326 CB ALA A 555 13.299 8.076 -6.577 1.00 0.84 C ATOM 0 H ALA A 555 13.178 8.143 -4.165 1.00 0.77 H new ATOM 0 HA ALA A 555 12.216 9.906 -6.148 1.00 0.80 H new ATOM 0 HB1 ALA A 555 13.168 8.152 -7.656 1.00 0.84 H new ATOM 0 HB2 ALA A 555 14.266 8.495 -6.299 1.00 0.84 H new ATOM 0 HB3 ALA A 555 13.259 7.028 -6.279 1.00 0.84 H new ATOM 332 N MET A 556 10.252 7.407 -5.503 1.00 0.67 N ATOM 333 CA MET A 556 8.936 6.801 -5.696 1.00 0.66 C ATOM 334 C MET A 556 7.767 7.764 -5.409 1.00 0.65 C ATOM 335 O MET A 556 6.654 7.549 -5.887 1.00 0.72 O ATOM 336 CB MET A 556 8.899 5.569 -4.777 1.00 0.73 C ATOM 337 CG MET A 556 7.922 4.487 -5.241 1.00 0.71 C ATOM 338 SD MET A 556 7.891 2.979 -4.220 1.00 0.77 S ATOM 339 CE MET A 556 9.640 2.672 -3.846 1.00 0.60 C ATOM 0 H MET A 556 10.732 7.050 -4.677 1.00 0.67 H new ATOM 0 HA MET A 556 8.801 6.529 -6.743 1.00 0.66 H new ATOM 0 HB2 MET A 556 9.900 5.141 -4.717 1.00 0.73 H new ATOM 0 HB3 MET A 556 8.626 5.885 -3.770 1.00 0.73 H new ATOM 0 HG2 MET A 556 6.918 4.912 -5.263 1.00 0.71 H new ATOM 0 HG3 MET A 556 8.173 4.208 -6.264 1.00 0.71 H new ATOM 0 HE1 MET A 556 9.784 1.615 -3.622 1.00 0.60 H new ATOM 0 HE2 MET A 556 10.250 2.947 -4.707 1.00 0.60 H new ATOM 0 HE3 MET A 556 9.938 3.270 -2.985 1.00 0.60 H new ATOM 349 N LEU A 557 8.000 8.833 -4.636 1.00 0.64 N ATOM 350 CA LEU A 557 6.944 9.690 -4.087 1.00 0.66 C ATOM 351 C LEU A 557 6.582 10.886 -4.987 1.00 0.71 C ATOM 352 O LEU A 557 5.482 11.426 -4.859 1.00 0.77 O ATOM 353 CB LEU A 557 7.370 10.221 -2.700 1.00 0.69 C ATOM 354 CG LEU A 557 7.958 9.192 -1.720 1.00 0.68 C ATOM 355 CD1 LEU A 557 8.310 9.864 -0.395 1.00 0.77 C ATOM 356 CD2 LEU A 557 6.997 8.036 -1.438 1.00 0.72 C ATOM 0 H LEU A 557 8.939 9.130 -4.372 1.00 0.64 H new ATOM 0 HA LEU A 557 6.055 9.064 -4.016 1.00 0.66 H new ATOM 0 HB2 LEU A 557 8.107 11.010 -2.849 1.00 0.69 H new ATOM 0 HB3 LEU A 557 6.501 10.682 -2.230 1.00 0.69 H new ATOM 0 HG LEU A 557 8.852 8.787 -2.195 1.00 0.68 H new ATOM 0 HD11 LEU A 557 8.725 9.124 0.289 1.00 0.77 H new ATOM 0 HD12 LEU A 557 9.045 10.650 -0.569 1.00 0.77 H new ATOM 0 HD13 LEU A 557 7.411 10.299 0.042 1.00 0.77 H new ATOM 0 HD21 LEU A 557 7.461 7.339 -0.741 1.00 0.72 H new ATOM 0 HD22 LEU A 557 6.077 8.426 -1.003 1.00 0.72 H new ATOM 0 HD23 LEU A 557 6.767 7.519 -2.369 1.00 0.72 H new ATOM 368 N THR A 558 7.471 11.332 -5.887 1.00 0.77 N ATOM 369 CA THR A 558 7.293 12.615 -6.617 1.00 0.95 C ATOM 370 C THR A 558 6.159 12.584 -7.652 1.00 0.80 C ATOM 371 O THR A 558 5.692 13.629 -8.113 1.00 0.95 O ATOM 372 CB THR A 558 8.597 13.112 -7.274 1.00 1.34 C ATOM 373 OG1 THR A 558 9.029 12.251 -8.304 1.00 1.47 O ATOM 374 CG2 THR A 558 9.742 13.233 -6.268 1.00 2.22 C ATOM 0 H THR A 558 8.324 10.829 -6.133 1.00 0.77 H new ATOM 0 HA THR A 558 7.005 13.327 -5.844 1.00 0.95 H new ATOM 0 HB THR A 558 8.356 14.094 -7.681 1.00 1.34 H new ATOM 0 HG1 THR A 558 9.856 12.600 -8.697 1.00 1.47 H new ATOM 0 HG21 THR A 558 10.638 13.586 -6.778 1.00 2.22 H new ATOM 0 HG22 THR A 558 9.466 13.941 -5.486 1.00 2.22 H new ATOM 0 HG23 THR A 558 9.939 12.258 -5.822 1.00 2.22 H new ATOM 382 N LYS A 559 5.676 11.383 -7.983 1.00 0.66 N ATOM 383 CA LYS A 559 4.553 11.086 -8.889 1.00 0.74 C ATOM 384 C LYS A 559 3.411 10.304 -8.212 1.00 0.87 C ATOM 385 O LYS A 559 2.582 9.690 -8.890 1.00 1.21 O ATOM 386 CB LYS A 559 5.110 10.449 -10.184 1.00 0.95 C ATOM 387 CG LYS A 559 6.213 9.378 -10.023 1.00 1.46 C ATOM 388 CD LYS A 559 5.833 8.104 -9.251 1.00 2.05 C ATOM 389 CE LYS A 559 4.617 7.363 -9.813 1.00 1.94 C ATOM 390 NZ LYS A 559 4.744 7.057 -11.257 1.00 2.99 N ATOM 0 H LYS A 559 6.085 10.531 -7.600 1.00 0.66 H new ATOM 0 HA LYS A 559 4.059 12.016 -9.171 1.00 0.74 H new ATOM 0 HB2 LYS A 559 4.278 9.999 -10.725 1.00 0.95 H new ATOM 0 HB3 LYS A 559 5.503 11.248 -10.812 1.00 0.95 H new ATOM 0 HG2 LYS A 559 6.550 9.085 -11.017 1.00 1.46 H new ATOM 0 HG3 LYS A 559 7.064 9.839 -9.521 1.00 1.46 H new ATOM 0 HD2 LYS A 559 6.687 7.427 -9.249 1.00 2.05 H new ATOM 0 HD3 LYS A 559 5.634 8.369 -8.213 1.00 2.05 H new ATOM 0 HE2 LYS A 559 4.477 6.434 -9.261 1.00 1.94 H new ATOM 0 HE3 LYS A 559 3.724 7.967 -9.652 1.00 1.94 H new ATOM 0 HZ1 LYS A 559 3.979 6.413 -11.544 1.00 2.99 H new ATOM 0 HZ2 LYS A 559 4.679 7.938 -11.806 1.00 2.99 H new ATOM 0 HZ3 LYS A 559 5.663 6.604 -11.436 1.00 2.99 H new ATOM 404 N LEU A 560 3.385 10.276 -6.877 1.00 0.75 N ATOM 405 CA LEU A 560 2.458 9.478 -6.071 1.00 0.80 C ATOM 406 C LEU A 560 1.029 10.061 -6.071 1.00 0.90 C ATOM 407 O LEU A 560 0.841 11.226 -6.430 1.00 1.23 O ATOM 408 CB LEU A 560 3.064 9.335 -4.660 1.00 0.91 C ATOM 409 CG LEU A 560 2.468 8.208 -3.805 1.00 0.94 C ATOM 410 CD1 LEU A 560 2.466 6.912 -4.590 1.00 2.43 C ATOM 411 CD2 LEU A 560 3.334 7.888 -2.586 1.00 1.16 C ATOM 0 H LEU A 560 4.030 10.826 -6.309 1.00 0.75 H new ATOM 0 HA LEU A 560 2.339 8.486 -6.507 1.00 0.80 H new ATOM 0 HB2 LEU A 560 4.137 9.167 -4.758 1.00 0.91 H new ATOM 0 HB3 LEU A 560 2.936 10.279 -4.129 1.00 0.91 H new ATOM 0 HG LEU A 560 1.475 8.552 -3.516 1.00 0.94 H new ATOM 0 HD11 LEU A 560 2.042 6.116 -3.978 1.00 2.43 H new ATOM 0 HD12 LEU A 560 1.867 7.034 -5.492 1.00 2.43 H new ATOM 0 HD13 LEU A 560 3.488 6.652 -4.866 1.00 2.43 H new ATOM 0 HD21 LEU A 560 2.872 7.085 -2.012 1.00 1.16 H new ATOM 0 HD22 LEU A 560 4.325 7.575 -2.916 1.00 1.16 H new ATOM 0 HD23 LEU A 560 3.424 8.776 -1.960 1.00 1.16 H new ATOM 423 N LYS A 561 0.025 9.277 -5.662 1.00 0.77 N ATOM 424 CA LYS A 561 -1.401 9.659 -5.695 1.00 0.90 C ATOM 425 C LYS A 561 -2.129 9.382 -4.372 1.00 0.84 C ATOM 426 O LYS A 561 -1.823 8.407 -3.684 1.00 0.75 O ATOM 427 CB LYS A 561 -2.087 8.935 -6.868 1.00 1.17 C ATOM 428 CG LYS A 561 -3.199 9.741 -7.559 1.00 1.16 C ATOM 429 CD LYS A 561 -2.725 10.521 -8.798 1.00 1.45 C ATOM 430 CE LYS A 561 -1.729 11.648 -8.497 1.00 1.57 C ATOM 431 NZ LYS A 561 -1.278 12.309 -9.746 1.00 1.83 N ATOM 0 H LYS A 561 0.179 8.340 -5.291 1.00 0.77 H new ATOM 0 HA LYS A 561 -1.456 10.738 -5.840 1.00 0.90 H new ATOM 0 HB2 LYS A 561 -1.331 8.676 -7.609 1.00 1.17 H new ATOM 0 HB3 LYS A 561 -2.509 7.999 -6.502 1.00 1.17 H new ATOM 0 HG2 LYS A 561 -3.998 9.061 -7.854 1.00 1.16 H new ATOM 0 HG3 LYS A 561 -3.626 10.442 -6.842 1.00 1.16 H new ATOM 0 HD2 LYS A 561 -2.264 9.823 -9.497 1.00 1.45 H new ATOM 0 HD3 LYS A 561 -3.595 10.946 -9.299 1.00 1.45 H new ATOM 0 HE2 LYS A 561 -2.194 12.383 -7.840 1.00 1.57 H new ATOM 0 HE3 LYS A 561 -0.868 11.244 -7.964 1.00 1.57 H new ATOM 0 HZ1 LYS A 561 -0.605 13.067 -9.514 1.00 1.83 H new ATOM 0 HZ2 LYS A 561 -0.814 11.610 -10.361 1.00 1.83 H new ATOM 0 HZ3 LYS A 561 -2.099 12.714 -10.240 1.00 1.83 H new ATOM 445 N PHE A 562 -3.110 10.221 -4.040 1.00 1.02 N ATOM 446 CA PHE A 562 -3.913 10.135 -2.810 1.00 0.98 C ATOM 447 C PHE A 562 -5.429 10.118 -3.065 1.00 0.94 C ATOM 448 O PHE A 562 -5.894 10.560 -4.119 1.00 1.10 O ATOM 449 CB PHE A 562 -3.481 11.227 -1.813 1.00 1.11 C ATOM 450 CG PHE A 562 -4.480 12.337 -1.534 1.00 1.08 C ATOM 451 CD1 PHE A 562 -4.596 13.433 -2.407 1.00 2.13 C ATOM 452 CD2 PHE A 562 -5.297 12.270 -0.390 1.00 1.76 C ATOM 453 CE1 PHE A 562 -5.536 14.448 -2.150 1.00 2.35 C ATOM 454 CE2 PHE A 562 -6.224 13.293 -0.126 1.00 1.78 C ATOM 455 CZ PHE A 562 -6.351 14.378 -1.009 1.00 1.51 C ATOM 0 H PHE A 562 -3.380 11.005 -4.634 1.00 1.02 H new ATOM 0 HA PHE A 562 -3.708 9.166 -2.356 1.00 0.98 H new ATOM 0 HB2 PHE A 562 -3.237 10.745 -0.867 1.00 1.11 H new ATOM 0 HB3 PHE A 562 -2.563 11.682 -2.185 1.00 1.11 H new ATOM 0 HD1 PHE A 562 -3.961 13.496 -3.278 1.00 2.13 H new ATOM 0 HD2 PHE A 562 -5.212 11.432 0.286 1.00 1.76 H new ATOM 0 HE1 PHE A 562 -5.631 15.281 -2.831 1.00 2.35 H new ATOM 0 HE2 PHE A 562 -6.841 13.245 0.759 1.00 1.78 H new ATOM 0 HZ PHE A 562 -7.073 15.156 -0.811 1.00 1.51 H new ATOM 465 N GLU A 563 -6.211 9.611 -2.111 1.00 0.80 N ATOM 466 CA GLU A 563 -7.680 9.573 -2.182 1.00 0.76 C ATOM 467 C GLU A 563 -8.347 9.756 -0.804 1.00 0.67 C ATOM 468 O GLU A 563 -7.749 9.515 0.236 1.00 0.71 O ATOM 469 CB GLU A 563 -8.089 8.248 -2.861 1.00 0.88 C ATOM 470 CG GLU A 563 -9.594 8.004 -3.042 1.00 1.86 C ATOM 471 CD GLU A 563 -10.296 9.041 -3.930 1.00 2.73 C ATOM 472 OE1 GLU A 563 -10.378 10.238 -3.560 1.00 4.25 O ATOM 473 OE2 GLU A 563 -10.831 8.674 -5.003 1.00 3.08 O ATOM 0 H GLU A 563 -5.839 9.207 -1.251 1.00 0.80 H new ATOM 0 HA GLU A 563 -8.035 10.416 -2.775 1.00 0.76 H new ATOM 0 HB2 GLU A 563 -7.617 8.208 -3.843 1.00 0.88 H new ATOM 0 HB3 GLU A 563 -7.678 7.425 -2.276 1.00 0.88 H new ATOM 0 HG2 GLU A 563 -9.741 7.014 -3.473 1.00 1.86 H new ATOM 0 HG3 GLU A 563 -10.071 7.999 -2.062 1.00 1.86 H new ATOM 480 N VAL A 564 -9.608 10.180 -0.786 1.00 0.65 N ATOM 481 CA VAL A 564 -10.464 10.331 0.395 1.00 0.65 C ATOM 482 C VAL A 564 -11.746 9.510 0.283 1.00 0.66 C ATOM 483 O VAL A 564 -12.377 9.433 -0.777 1.00 0.71 O ATOM 484 CB VAL A 564 -10.832 11.805 0.585 1.00 0.74 C ATOM 485 CG1 VAL A 564 -11.704 12.092 1.801 1.00 0.96 C ATOM 486 CG2 VAL A 564 -9.565 12.651 0.700 1.00 0.75 C ATOM 0 H VAL A 564 -10.091 10.444 -1.645 1.00 0.65 H new ATOM 0 HA VAL A 564 -9.900 9.965 1.253 1.00 0.65 H new ATOM 0 HB VAL A 564 -11.417 12.065 -0.297 1.00 0.74 H new ATOM 0 HG11 VAL A 564 -11.914 13.160 1.854 1.00 0.96 H new ATOM 0 HG12 VAL A 564 -12.641 11.542 1.715 1.00 0.96 H new ATOM 0 HG13 VAL A 564 -11.182 11.779 2.705 1.00 0.96 H new ATOM 0 HG21 VAL A 564 -9.837 13.698 0.835 1.00 0.75 H new ATOM 0 HG22 VAL A 564 -8.980 12.315 1.556 1.00 0.75 H new ATOM 0 HG23 VAL A 564 -8.973 12.544 -0.209 1.00 0.75 H new ATOM 496 N PHE A 565 -12.178 8.998 1.433 1.00 0.69 N ATOM 497 CA PHE A 565 -13.519 8.446 1.648 1.00 0.79 C ATOM 498 C PHE A 565 -14.156 9.009 2.933 1.00 0.79 C ATOM 499 O PHE A 565 -13.468 9.551 3.801 1.00 0.87 O ATOM 500 CB PHE A 565 -13.460 6.910 1.649 1.00 0.83 C ATOM 501 CG PHE A 565 -12.898 6.279 0.384 1.00 0.83 C ATOM 502 CD1 PHE A 565 -11.504 6.168 0.193 1.00 1.73 C ATOM 503 CD2 PHE A 565 -13.776 5.773 -0.595 1.00 2.30 C ATOM 504 CE1 PHE A 565 -11.000 5.552 -0.967 1.00 1.71 C ATOM 505 CE2 PHE A 565 -13.270 5.165 -1.758 1.00 2.35 C ATOM 506 CZ PHE A 565 -11.881 5.052 -1.942 1.00 0.92 C ATOM 0 H PHE A 565 -11.591 8.953 2.266 1.00 0.69 H new ATOM 0 HA PHE A 565 -14.164 8.754 0.825 1.00 0.79 H new ATOM 0 HB2 PHE A 565 -12.855 6.587 2.496 1.00 0.83 H new ATOM 0 HB3 PHE A 565 -14.467 6.524 1.811 1.00 0.83 H new ATOM 0 HD1 PHE A 565 -10.824 6.556 0.937 1.00 1.73 H new ATOM 0 HD2 PHE A 565 -14.843 5.852 -0.452 1.00 2.30 H new ATOM 0 HE1 PHE A 565 -9.933 5.463 -1.109 1.00 1.71 H new ATOM 0 HE2 PHE A 565 -13.948 4.786 -2.509 1.00 2.35 H new ATOM 0 HZ PHE A 565 -11.491 4.581 -2.832 1.00 0.92 H new ATOM 516 N GLN A 566 -15.481 8.916 3.039 1.00 0.86 N ATOM 517 CA GLN A 566 -16.316 9.358 4.164 1.00 0.90 C ATOM 518 C GLN A 566 -16.874 8.140 4.942 1.00 0.84 C ATOM 519 O GLN A 566 -16.849 7.021 4.418 1.00 0.80 O ATOM 520 CB GLN A 566 -17.456 10.239 3.609 1.00 1.07 C ATOM 521 CG GLN A 566 -17.072 11.636 3.137 1.00 1.49 C ATOM 522 CD GLN A 566 -16.517 11.641 1.735 1.00 1.22 C ATOM 523 OE1 GLN A 566 -17.211 11.477 0.740 1.00 2.48 O ATOM 524 NE2 GLN A 566 -15.237 11.841 1.597 1.00 1.03 N ATOM 0 H GLN A 566 -16.041 8.503 2.293 1.00 0.86 H new ATOM 0 HA GLN A 566 -15.719 9.940 4.866 1.00 0.90 H new ATOM 0 HB2 GLN A 566 -17.917 9.712 2.774 1.00 1.07 H new ATOM 0 HB3 GLN A 566 -18.217 10.338 4.383 1.00 1.07 H new ATOM 0 HG2 GLN A 566 -17.948 12.284 3.180 1.00 1.49 H new ATOM 0 HG3 GLN A 566 -16.332 12.055 3.819 1.00 1.49 H new ATOM 0 HE21 GLN A 566 -14.651 11.979 2.420 1.00 1.03 H new ATOM 0 HE22 GLN A 566 -14.821 11.860 0.666 1.00 1.03 H new ATOM 533 N PRO A 567 -17.407 8.311 6.174 1.00 0.88 N ATOM 534 CA PRO A 567 -17.797 7.181 7.019 1.00 0.86 C ATOM 535 C PRO A 567 -18.896 6.314 6.376 1.00 0.88 C ATOM 536 O PRO A 567 -19.993 6.802 6.083 1.00 1.08 O ATOM 537 CB PRO A 567 -18.248 7.775 8.361 1.00 0.98 C ATOM 538 CG PRO A 567 -17.809 9.241 8.340 1.00 1.02 C ATOM 539 CD PRO A 567 -17.646 9.574 6.862 1.00 1.00 C ATOM 0 HA PRO A 567 -16.954 6.503 7.156 1.00 0.86 H new ATOM 0 HB2 PRO A 567 -19.328 7.693 8.481 1.00 0.98 H new ATOM 0 HB3 PRO A 567 -17.793 7.243 9.196 1.00 0.98 H new ATOM 0 HG2 PRO A 567 -18.552 9.884 8.811 1.00 1.02 H new ATOM 0 HG3 PRO A 567 -16.875 9.383 8.883 1.00 1.02 H new ATOM 0 HD2 PRO A 567 -18.540 10.063 6.474 1.00 1.00 H new ATOM 0 HD3 PRO A 567 -16.814 10.262 6.709 1.00 1.00 H new ATOM 547 N GLY A 568 -18.601 5.026 6.171 1.00 0.78 N ATOM 548 CA GLY A 568 -19.509 4.020 5.612 1.00 0.88 C ATOM 549 C GLY A 568 -19.169 3.587 4.183 1.00 0.91 C ATOM 550 O GLY A 568 -19.748 2.615 3.702 1.00 1.09 O ATOM 0 H GLY A 568 -17.685 4.640 6.400 1.00 0.78 H new ATOM 0 HA2 GLY A 568 -19.500 3.141 6.257 1.00 0.88 H new ATOM 0 HA3 GLY A 568 -20.524 4.416 5.627 1.00 0.88 H new ATOM 554 N ASP A 569 -18.243 4.260 3.493 1.00 0.84 N ATOM 555 CA ASP A 569 -17.942 3.997 2.088 1.00 0.89 C ATOM 556 C ASP A 569 -16.857 2.916 1.921 1.00 0.84 C ATOM 557 O ASP A 569 -15.835 2.910 2.610 1.00 0.77 O ATOM 558 CB ASP A 569 -17.599 5.324 1.382 1.00 0.94 C ATOM 559 CG ASP A 569 -17.732 5.292 -0.147 1.00 1.06 C ATOM 560 OD1 ASP A 569 -18.139 4.252 -0.712 1.00 1.28 O ATOM 561 OD2 ASP A 569 -17.472 6.339 -0.794 1.00 2.10 O ATOM 0 H ASP A 569 -17.679 5.007 3.899 1.00 0.84 H new ATOM 0 HA ASP A 569 -18.825 3.581 1.603 1.00 0.89 H new ATOM 0 HB2 ASP A 569 -18.250 6.106 1.773 1.00 0.94 H new ATOM 0 HB3 ASP A 569 -16.577 5.602 1.638 1.00 0.94 H new ATOM 566 N TYR A 570 -17.077 1.981 0.997 1.00 0.93 N ATOM 567 CA TYR A 570 -16.116 0.926 0.649 1.00 0.95 C ATOM 568 C TYR A 570 -14.875 1.486 -0.060 1.00 0.92 C ATOM 569 O TYR A 570 -14.941 1.931 -1.211 1.00 0.97 O ATOM 570 CB TYR A 570 -16.788 -0.173 -0.182 1.00 1.15 C ATOM 571 CG TYR A 570 -17.428 -1.239 0.681 1.00 1.23 C ATOM 572 CD1 TYR A 570 -16.667 -2.350 1.091 1.00 2.33 C ATOM 573 CD2 TYR A 570 -18.759 -1.100 1.114 1.00 2.04 C ATOM 574 CE1 TYR A 570 -17.237 -3.329 1.922 1.00 2.64 C ATOM 575 CE2 TYR A 570 -19.335 -2.081 1.942 1.00 2.01 C ATOM 576 CZ TYR A 570 -18.577 -3.205 2.343 1.00 1.72 C ATOM 577 OH TYR A 570 -19.127 -4.171 3.128 1.00 2.06 O ATOM 0 H TYR A 570 -17.942 1.932 0.458 1.00 0.93 H new ATOM 0 HA TYR A 570 -15.770 0.481 1.582 1.00 0.95 H new ATOM 0 HB2 TYR A 570 -17.546 0.274 -0.825 1.00 1.15 H new ATOM 0 HB3 TYR A 570 -16.048 -0.635 -0.836 1.00 1.15 H new ATOM 0 HD1 TYR A 570 -15.642 -2.450 0.766 1.00 2.33 H new ATOM 0 HD2 TYR A 570 -19.339 -0.241 0.811 1.00 2.04 H new ATOM 0 HE1 TYR A 570 -16.648 -4.177 2.239 1.00 2.64 H new ATOM 0 HE2 TYR A 570 -20.358 -1.975 2.272 1.00 2.01 H new ATOM 0 HH TYR A 570 -20.056 -3.937 3.332 1.00 2.06 H new ATOM 587 N ILE A 571 -13.727 1.415 0.622 1.00 0.88 N ATOM 588 CA ILE A 571 -12.453 2.016 0.193 1.00 0.87 C ATOM 589 C ILE A 571 -11.686 1.171 -0.836 1.00 0.93 C ATOM 590 O ILE A 571 -10.732 1.643 -1.455 1.00 1.13 O ATOM 591 CB ILE A 571 -11.563 2.317 1.420 1.00 0.82 C ATOM 592 CG1 ILE A 571 -11.049 1.065 2.162 1.00 0.76 C ATOM 593 CG2 ILE A 571 -12.283 3.179 2.456 1.00 0.80 C ATOM 594 CD1 ILE A 571 -9.631 0.728 1.721 1.00 0.95 C ATOM 0 H ILE A 571 -13.653 0.925 1.513 1.00 0.88 H new ATOM 0 HA ILE A 571 -12.709 2.947 -0.314 1.00 0.87 H new ATOM 0 HB ILE A 571 -10.713 2.843 0.986 1.00 0.82 H new ATOM 0 HG12 ILE A 571 -11.070 1.239 3.238 1.00 0.76 H new ATOM 0 HG13 ILE A 571 -11.709 0.220 1.962 1.00 0.76 H new ATOM 0 HG21 ILE A 571 -11.619 3.364 3.300 1.00 0.80 H new ATOM 0 HG22 ILE A 571 -12.569 4.129 2.004 1.00 0.80 H new ATOM 0 HG23 ILE A 571 -13.176 2.660 2.804 1.00 0.80 H new ATOM 0 HD11 ILE A 571 -9.285 -0.157 2.254 1.00 0.95 H new ATOM 0 HD12 ILE A 571 -9.620 0.533 0.649 1.00 0.95 H new ATOM 0 HD13 ILE A 571 -8.972 1.567 1.944 1.00 0.95 H new ATOM 606 N ILE A 572 -12.072 -0.095 -0.993 1.00 0.93 N ATOM 607 CA ILE A 572 -11.328 -1.116 -1.733 1.00 0.95 C ATOM 608 C ILE A 572 -11.852 -1.276 -3.167 1.00 1.75 C ATOM 609 O ILE A 572 -13.063 -1.280 -3.412 1.00 2.54 O ATOM 610 CB ILE A 572 -11.395 -2.445 -0.945 1.00 1.41 C ATOM 611 CG1 ILE A 572 -10.595 -2.453 0.356 1.00 2.19 C ATOM 612 CG2 ILE A 572 -11.054 -3.692 -1.771 1.00 1.60 C ATOM 613 CD1 ILE A 572 -9.084 -2.240 0.291 1.00 1.47 C ATOM 0 H ILE A 572 -12.941 -0.451 -0.595 1.00 0.93 H new ATOM 0 HA ILE A 572 -10.287 -0.806 -1.827 1.00 0.95 H new ATOM 0 HB ILE A 572 -12.451 -2.500 -0.683 1.00 1.41 H new ATOM 0 HG12 ILE A 572 -11.010 -1.680 1.003 1.00 2.19 H new ATOM 0 HG13 ILE A 572 -10.773 -3.410 0.847 1.00 2.19 H new ATOM 0 HG21 ILE A 572 -11.126 -4.578 -1.140 1.00 1.60 H new ATOM 0 HG22 ILE A 572 -11.754 -3.781 -2.602 1.00 1.60 H new ATOM 0 HG23 ILE A 572 -10.039 -3.605 -2.159 1.00 1.60 H new ATOM 0 HD11 ILE A 572 -8.668 -2.274 1.298 1.00 1.47 H new ATOM 0 HD12 ILE A 572 -8.632 -3.025 -0.315 1.00 1.47 H new ATOM 0 HD13 ILE A 572 -8.872 -1.269 -0.156 1.00 1.47 H new ATOM 625 N ARG A 573 -10.903 -1.494 -4.082 1.00 2.04 N ATOM 626 CA ARG A 573 -11.051 -2.043 -5.439 1.00 2.86 C ATOM 627 C ARG A 573 -10.282 -3.365 -5.560 1.00 2.17 C ATOM 628 O ARG A 573 -9.660 -3.807 -4.592 1.00 2.19 O ATOM 629 CB ARG A 573 -10.584 -1.005 -6.475 1.00 4.34 C ATOM 630 CG ARG A 573 -11.500 0.224 -6.531 1.00 5.56 C ATOM 631 CD ARG A 573 -11.069 1.135 -7.683 1.00 7.43 C ATOM 632 NE ARG A 573 -11.865 2.375 -7.705 1.00 8.45 N ATOM 633 CZ ARG A 573 -12.514 2.918 -8.718 1.00 9.58 C ATOM 634 NH1 ARG A 573 -12.601 2.380 -9.900 1.00 10.04 N ATOM 635 NH2 ARG A 573 -13.124 4.052 -8.570 1.00 10.62 N ATOM 0 H ARG A 573 -9.928 -1.273 -3.878 1.00 2.04 H new ATOM 0 HA ARG A 573 -12.101 -2.259 -5.637 1.00 2.86 H new ATOM 0 HB2 ARG A 573 -9.570 -0.687 -6.234 1.00 4.34 H new ATOM 0 HB3 ARG A 573 -10.546 -1.471 -7.460 1.00 4.34 H new ATOM 0 HG2 ARG A 573 -12.535 -0.088 -6.669 1.00 5.56 H new ATOM 0 HG3 ARG A 573 -11.454 0.768 -5.587 1.00 5.56 H new ATOM 0 HD2 ARG A 573 -10.012 1.380 -7.581 1.00 7.43 H new ATOM 0 HD3 ARG A 573 -11.185 0.608 -8.630 1.00 7.43 H new ATOM 0 HE ARG A 573 -11.922 2.880 -6.821 1.00 8.45 H new ATOM 0 HH11 ARG A 573 -12.151 1.484 -10.087 1.00 10.04 H new ATOM 0 HH12 ARG A 573 -13.119 2.854 -10.639 1.00 10.04 H new ATOM 0 HH21 ARG A 573 -13.104 4.528 -7.668 1.00 10.62 H new ATOM 0 HH22 ARG A 573 -13.624 4.468 -9.355 1.00 10.62 H new ATOM 649 N GLU A 574 -10.353 -4.051 -6.698 1.00 2.79 N ATOM 650 CA GLU A 574 -9.493 -5.222 -6.954 1.00 2.39 C ATOM 651 C GLU A 574 -7.997 -4.873 -6.802 1.00 4.00 C ATOM 652 O GLU A 574 -7.579 -3.720 -6.952 1.00 5.72 O ATOM 653 CB GLU A 574 -9.904 -5.869 -8.283 1.00 3.62 C ATOM 654 CG GLU A 574 -9.208 -7.200 -8.580 1.00 3.48 C ATOM 655 CD GLU A 574 -9.821 -7.827 -9.832 1.00 4.51 C ATOM 656 OE1 GLU A 574 -9.436 -7.429 -10.954 1.00 5.47 O ATOM 657 OE2 GLU A 574 -10.723 -8.688 -9.717 1.00 5.08 O ATOM 0 H GLU A 574 -10.992 -3.824 -7.460 1.00 2.79 H new ATOM 0 HA GLU A 574 -9.644 -5.988 -6.193 1.00 2.39 H new ATOM 0 HB2 GLU A 574 -10.982 -6.030 -8.277 1.00 3.62 H new ATOM 0 HB3 GLU A 574 -9.691 -5.172 -9.094 1.00 3.62 H new ATOM 0 HG2 GLU A 574 -8.140 -7.039 -8.726 1.00 3.48 H new ATOM 0 HG3 GLU A 574 -9.315 -7.876 -7.732 1.00 3.48 H new ATOM 664 N GLY A 575 -7.194 -5.851 -6.379 1.00 4.14 N ATOM 665 CA GLY A 575 -5.886 -5.571 -5.772 1.00 6.44 C ATOM 666 C GLY A 575 -4.704 -5.734 -6.718 1.00 6.72 C ATOM 667 O GLY A 575 -3.633 -5.193 -6.468 1.00 8.68 O ATOM 0 H GLY A 575 -7.423 -6.843 -6.444 1.00 4.14 H new ATOM 0 HA2 GLY A 575 -5.889 -4.551 -5.387 1.00 6.44 H new ATOM 0 HA3 GLY A 575 -5.746 -6.234 -4.918 1.00 6.44 H new ATOM 671 N THR A 576 -4.872 -6.512 -7.791 1.00 4.90 N ATOM 672 CA THR A 576 -3.728 -7.115 -8.487 1.00 5.18 C ATOM 673 C THR A 576 -3.702 -6.821 -9.969 1.00 3.42 C ATOM 674 O THR A 576 -2.780 -6.161 -10.453 1.00 3.98 O ATOM 675 CB THR A 576 -3.637 -8.622 -8.213 1.00 6.22 C ATOM 676 OG1 THR A 576 -4.747 -9.318 -8.732 1.00 5.80 O ATOM 677 CG2 THR A 576 -3.634 -8.899 -6.716 1.00 7.30 C ATOM 0 H THR A 576 -5.781 -6.739 -8.195 1.00 4.90 H new ATOM 0 HA THR A 576 -2.840 -6.638 -8.072 1.00 5.18 H new ATOM 0 HB THR A 576 -2.715 -8.956 -8.689 1.00 6.22 H new ATOM 0 HG1 THR A 576 -4.572 -10.282 -8.702 1.00 5.80 H new ATOM 0 HG21 THR A 576 -3.569 -9.974 -6.545 1.00 7.30 H new ATOM 0 HG22 THR A 576 -2.777 -8.406 -6.256 1.00 7.30 H new ATOM 0 HG23 THR A 576 -4.554 -8.516 -6.273 1.00 7.30 H new ATOM 685 N ILE A 577 -4.696 -7.319 -10.702 1.00 2.41 N ATOM 686 CA ILE A 577 -4.580 -7.372 -12.156 1.00 2.19 C ATOM 687 C ILE A 577 -4.778 -5.995 -12.781 1.00 2.71 C ATOM 688 O ILE A 577 -5.889 -5.468 -12.858 1.00 3.12 O ATOM 689 CB ILE A 577 -5.439 -8.431 -12.855 1.00 2.85 C ATOM 690 CG1 ILE A 577 -5.178 -9.856 -12.397 1.00 2.49 C ATOM 691 CG2 ILE A 577 -5.301 -8.297 -14.390 1.00 4.32 C ATOM 692 CD1 ILE A 577 -3.732 -10.254 -12.468 1.00 2.94 C ATOM 0 H ILE A 577 -5.570 -7.683 -10.324 1.00 2.41 H new ATOM 0 HA ILE A 577 -3.556 -7.702 -12.329 1.00 2.19 H new ATOM 0 HB ILE A 577 -6.469 -8.230 -12.561 1.00 2.85 H new ATOM 0 HG12 ILE A 577 -5.527 -9.969 -11.371 1.00 2.49 H new ATOM 0 HG13 ILE A 577 -5.765 -10.539 -13.011 1.00 2.49 H new ATOM 0 HG21 ILE A 577 -5.915 -9.054 -14.878 1.00 4.32 H new ATOM 0 HG22 ILE A 577 -5.632 -7.306 -14.700 1.00 4.32 H new ATOM 0 HG23 ILE A 577 -4.258 -8.437 -14.675 1.00 4.32 H new ATOM 0 HD11 ILE A 577 -3.621 -11.283 -12.126 1.00 2.94 H new ATOM 0 HD12 ILE A 577 -3.383 -10.174 -13.497 1.00 2.94 H new ATOM 0 HD13 ILE A 577 -3.141 -9.594 -11.832 1.00 2.94 H new ATOM 704 N GLY A 578 -3.669 -5.435 -13.249 1.00 3.44 N ATOM 705 CA GLY A 578 -3.611 -4.110 -13.848 1.00 4.23 C ATOM 706 C GLY A 578 -3.844 -3.015 -12.805 1.00 3.71 C ATOM 707 O GLY A 578 -4.349 -1.942 -13.158 1.00 4.12 O ATOM 0 H GLY A 578 -2.763 -5.903 -13.221 1.00 3.44 H new ATOM 0 HA2 GLY A 578 -2.639 -3.964 -14.320 1.00 4.23 H new ATOM 0 HA3 GLY A 578 -4.362 -4.031 -14.634 1.00 4.23 H new ATOM 711 N LYS A 579 -3.581 -3.323 -11.521 1.00 3.04 N ATOM 712 CA LYS A 579 -4.038 -2.581 -10.338 1.00 2.50 C ATOM 713 C LYS A 579 -2.920 -2.282 -9.319 1.00 2.03 C ATOM 714 O LYS A 579 -1.763 -2.637 -9.535 1.00 2.56 O ATOM 715 CB LYS A 579 -5.281 -3.273 -9.738 1.00 2.61 C ATOM 716 CG LYS A 579 -6.495 -2.966 -10.627 1.00 3.71 C ATOM 717 CD LYS A 579 -7.796 -3.621 -10.164 1.00 3.68 C ATOM 718 CE LYS A 579 -8.896 -3.533 -11.235 1.00 5.18 C ATOM 719 NZ LYS A 579 -9.162 -2.134 -11.644 1.00 5.88 N ATOM 0 H LYS A 579 -3.017 -4.135 -11.272 1.00 3.04 H new ATOM 0 HA LYS A 579 -4.341 -1.584 -10.659 1.00 2.50 H new ATOM 0 HB2 LYS A 579 -5.121 -4.349 -9.676 1.00 2.61 H new ATOM 0 HB3 LYS A 579 -5.457 -2.918 -8.723 1.00 2.61 H new ATOM 0 HG2 LYS A 579 -6.639 -1.886 -10.665 1.00 3.71 H new ATOM 0 HG3 LYS A 579 -6.278 -3.294 -11.644 1.00 3.71 H new ATOM 0 HD2 LYS A 579 -7.609 -4.667 -9.921 1.00 3.68 H new ATOM 0 HD3 LYS A 579 -8.140 -3.138 -9.250 1.00 3.68 H new ATOM 0 HE2 LYS A 579 -8.600 -4.116 -12.107 1.00 5.18 H new ATOM 0 HE3 LYS A 579 -9.813 -3.979 -10.850 1.00 5.18 H new ATOM 0 HZ1 LYS A 579 -9.997 -2.106 -12.263 1.00 5.88 H new ATOM 0 HZ2 LYS A 579 -9.337 -1.553 -10.800 1.00 5.88 H new ATOM 0 HZ3 LYS A 579 -8.338 -1.760 -12.157 1.00 5.88 H new ATOM 733 N LYS A 580 -3.257 -1.535 -8.259 1.00 1.33 N ATOM 734 CA LYS A 580 -2.349 -0.831 -7.329 1.00 1.10 C ATOM 735 C LYS A 580 -2.525 -1.275 -5.872 1.00 1.04 C ATOM 736 O LYS A 580 -3.535 -1.885 -5.531 1.00 1.30 O ATOM 737 CB LYS A 580 -2.626 0.680 -7.410 1.00 1.20 C ATOM 738 CG LYS A 580 -2.393 1.289 -8.798 1.00 1.82 C ATOM 739 CD LYS A 580 -2.262 2.814 -8.700 1.00 2.55 C ATOM 740 CE LYS A 580 -3.595 3.498 -8.352 1.00 3.20 C ATOM 741 NZ LYS A 580 -3.449 4.970 -8.266 1.00 4.28 N ATOM 0 H LYS A 580 -4.235 -1.394 -8.007 1.00 1.33 H new ATOM 0 HA LYS A 580 -1.330 -1.074 -7.630 1.00 1.10 H new ATOM 0 HB2 LYS A 580 -3.658 0.865 -7.113 1.00 1.20 H new ATOM 0 HB3 LYS A 580 -1.990 1.194 -6.689 1.00 1.20 H new ATOM 0 HG2 LYS A 580 -1.490 0.868 -9.239 1.00 1.82 H new ATOM 0 HG3 LYS A 580 -3.221 1.031 -9.459 1.00 1.82 H new ATOM 0 HD2 LYS A 580 -1.520 3.064 -7.941 1.00 2.55 H new ATOM 0 HD3 LYS A 580 -1.893 3.206 -9.648 1.00 2.55 H new ATOM 0 HE2 LYS A 580 -4.340 3.250 -9.108 1.00 3.20 H new ATOM 0 HE3 LYS A 580 -3.965 3.113 -7.402 1.00 3.20 H new ATOM 0 HZ1 LYS A 580 -4.368 5.397 -8.030 1.00 4.28 H new ATOM 0 HZ2 LYS A 580 -2.757 5.208 -7.527 1.00 4.28 H new ATOM 0 HZ3 LYS A 580 -3.120 5.340 -9.181 1.00 4.28 H new ATOM 755 N MET A 581 -1.597 -0.867 -4.996 1.00 0.93 N ATOM 756 CA MET A 581 -1.795 -0.977 -3.538 1.00 1.13 C ATOM 757 C MET A 581 -2.470 0.268 -2.948 1.00 1.05 C ATOM 758 O MET A 581 -2.398 1.354 -3.528 1.00 1.03 O ATOM 759 CB MET A 581 -0.499 -1.342 -2.788 1.00 1.39 C ATOM 760 CG MET A 581 0.497 -0.184 -2.605 1.00 1.69 C ATOM 761 SD MET A 581 1.800 -0.474 -1.372 1.00 1.82 S ATOM 762 CE MET A 581 0.879 -0.379 0.196 1.00 1.45 C ATOM 0 H MET A 581 -0.703 -0.458 -5.267 1.00 0.93 H new ATOM 0 HA MET A 581 -2.482 -1.810 -3.388 1.00 1.13 H new ATOM 0 HB2 MET A 581 -0.764 -1.732 -1.805 1.00 1.39 H new ATOM 0 HB3 MET A 581 -0.000 -2.148 -3.327 1.00 1.39 H new ATOM 0 HG2 MET A 581 0.968 0.025 -3.566 1.00 1.69 H new ATOM 0 HG3 MET A 581 -0.058 0.710 -2.321 1.00 1.69 H new ATOM 0 HE1 MET A 581 1.576 -0.218 1.018 1.00 1.45 H new ATOM 0 HE2 MET A 581 0.172 0.449 0.153 1.00 1.45 H new ATOM 0 HE3 MET A 581 0.337 -1.311 0.357 1.00 1.45 H new ATOM 772 N TYR A 582 -3.071 0.126 -1.762 1.00 1.04 N ATOM 773 CA TYR A 582 -3.737 1.210 -1.026 1.00 0.99 C ATOM 774 C TYR A 582 -3.248 1.238 0.436 1.00 0.96 C ATOM 775 O TYR A 582 -2.974 0.179 1.010 1.00 0.97 O ATOM 776 CB TYR A 582 -5.275 1.080 -1.140 1.00 1.01 C ATOM 777 CG TYR A 582 -5.780 0.520 -2.467 1.00 1.30 C ATOM 778 CD1 TYR A 582 -5.745 1.321 -3.624 1.00 1.71 C ATOM 779 CD2 TYR A 582 -6.213 -0.821 -2.564 1.00 2.73 C ATOM 780 CE1 TYR A 582 -6.091 0.774 -4.874 1.00 1.96 C ATOM 781 CE2 TYR A 582 -6.573 -1.367 -3.815 1.00 3.19 C ATOM 782 CZ TYR A 582 -6.494 -0.575 -4.982 1.00 2.31 C ATOM 783 OH TYR A 582 -6.800 -1.090 -6.207 1.00 2.91 O ATOM 0 H TYR A 582 -3.110 -0.768 -1.273 1.00 1.04 H new ATOM 0 HA TYR A 582 -3.470 2.168 -1.472 1.00 0.99 H new ATOM 0 HB2 TYR A 582 -5.631 0.439 -0.334 1.00 1.01 H new ATOM 0 HB3 TYR A 582 -5.720 2.063 -0.985 1.00 1.01 H new ATOM 0 HD1 TYR A 582 -5.452 2.358 -3.552 1.00 1.71 H new ATOM 0 HD2 TYR A 582 -6.269 -1.432 -1.676 1.00 2.73 H new ATOM 0 HE1 TYR A 582 -6.048 1.392 -5.759 1.00 1.96 H new ATOM 0 HE2 TYR A 582 -6.909 -2.391 -3.880 1.00 3.19 H new ATOM 0 HH TYR A 582 -7.027 -2.039 -6.115 1.00 2.91 H new ATOM 793 N PHE A 583 -3.133 2.417 1.059 1.00 0.93 N ATOM 794 CA PHE A 583 -2.650 2.564 2.443 1.00 0.89 C ATOM 795 C PHE A 583 -3.207 3.812 3.154 1.00 0.83 C ATOM 796 O PHE A 583 -3.753 4.707 2.508 1.00 0.90 O ATOM 797 CB PHE A 583 -1.112 2.465 2.470 1.00 0.98 C ATOM 798 CG PHE A 583 -0.272 3.604 1.910 1.00 1.18 C ATOM 799 CD1 PHE A 583 0.202 4.614 2.770 1.00 2.05 C ATOM 800 CD2 PHE A 583 0.192 3.555 0.581 1.00 2.29 C ATOM 801 CE1 PHE A 583 1.175 5.529 2.321 1.00 2.37 C ATOM 802 CE2 PHE A 583 1.177 4.458 0.137 1.00 2.46 C ATOM 803 CZ PHE A 583 1.692 5.429 1.017 1.00 1.90 C ATOM 0 H PHE A 583 -3.373 3.304 0.616 1.00 0.93 H new ATOM 0 HA PHE A 583 -3.045 1.737 3.033 1.00 0.89 H new ATOM 0 HB2 PHE A 583 -0.813 2.320 3.508 1.00 0.98 H new ATOM 0 HB3 PHE A 583 -0.835 1.560 1.930 1.00 0.98 H new ATOM 0 HD1 PHE A 583 -0.182 4.687 3.777 1.00 2.05 H new ATOM 0 HD2 PHE A 583 -0.210 2.821 -0.101 1.00 2.29 H new ATOM 0 HE1 PHE A 583 1.525 6.310 2.980 1.00 2.37 H new ATOM 0 HE2 PHE A 583 1.538 4.406 -0.880 1.00 2.46 H new ATOM 0 HZ PHE A 583 2.479 6.093 0.692 1.00 1.90 H new ATOM 813 N ILE A 584 -3.149 3.846 4.490 1.00 0.73 N ATOM 814 CA ILE A 584 -3.897 4.802 5.332 1.00 0.67 C ATOM 815 C ILE A 584 -2.984 5.947 5.799 1.00 0.70 C ATOM 816 O ILE A 584 -2.036 5.701 6.544 1.00 0.77 O ATOM 817 CB ILE A 584 -4.590 4.066 6.515 1.00 0.64 C ATOM 818 CG1 ILE A 584 -5.281 2.777 6.008 1.00 0.64 C ATOM 819 CG2 ILE A 584 -5.632 4.990 7.192 1.00 0.60 C ATOM 820 CD1 ILE A 584 -6.050 1.972 7.048 1.00 0.65 C ATOM 0 H ILE A 584 -2.573 3.201 5.031 1.00 0.73 H new ATOM 0 HA ILE A 584 -4.688 5.255 4.735 1.00 0.67 H new ATOM 0 HB ILE A 584 -3.830 3.799 7.249 1.00 0.64 H new ATOM 0 HG12 ILE A 584 -5.969 3.049 5.208 1.00 0.64 H new ATOM 0 HG13 ILE A 584 -4.521 2.131 5.568 1.00 0.64 H new ATOM 0 HG21 ILE A 584 -6.107 4.459 8.017 1.00 0.60 H new ATOM 0 HG22 ILE A 584 -5.134 5.882 7.573 1.00 0.60 H new ATOM 0 HG23 ILE A 584 -6.389 5.280 6.463 1.00 0.60 H new ATOM 0 HD11 ILE A 584 -6.490 1.093 6.576 1.00 0.65 H new ATOM 0 HD12 ILE A 584 -5.370 1.657 7.840 1.00 0.65 H new ATOM 0 HD13 ILE A 584 -6.841 2.589 7.474 1.00 0.65 H new ATOM 832 N GLN A 585 -3.275 7.189 5.387 1.00 0.75 N ATOM 833 CA GLN A 585 -2.507 8.387 5.765 1.00 0.82 C ATOM 834 C GLN A 585 -3.043 8.970 7.079 1.00 0.83 C ATOM 835 O GLN A 585 -2.301 9.026 8.054 1.00 0.99 O ATOM 836 CB GLN A 585 -2.483 9.379 4.581 1.00 0.90 C ATOM 837 CG GLN A 585 -1.588 10.624 4.747 1.00 1.20 C ATOM 838 CD GLN A 585 -2.203 11.719 5.616 1.00 1.72 C ATOM 839 OE1 GLN A 585 -1.908 11.841 6.791 1.00 3.18 O ATOM 840 NE2 GLN A 585 -3.083 12.550 5.108 1.00 2.02 N ATOM 0 H GLN A 585 -4.063 7.394 4.772 1.00 0.75 H new ATOM 0 HA GLN A 585 -1.466 8.133 5.968 1.00 0.82 H new ATOM 0 HB2 GLN A 585 -2.158 8.841 3.691 1.00 0.90 H new ATOM 0 HB3 GLN A 585 -3.503 9.714 4.395 1.00 0.90 H new ATOM 0 HG2 GLN A 585 -0.637 10.319 5.183 1.00 1.20 H new ATOM 0 HG3 GLN A 585 -1.370 11.036 3.762 1.00 1.20 H new ATOM 0 HE21 GLN A 585 -3.350 12.473 4.127 1.00 2.02 H new ATOM 0 HE22 GLN A 585 -3.500 13.273 5.695 1.00 2.02 H new ATOM 849 N HIS A 586 -4.337 9.301 7.135 1.00 0.76 N ATOM 850 CA HIS A 586 -5.054 9.594 8.382 1.00 0.79 C ATOM 851 C HIS A 586 -6.490 9.057 8.312 1.00 0.71 C ATOM 852 O HIS A 586 -7.216 9.351 7.364 1.00 0.71 O ATOM 853 CB HIS A 586 -5.044 11.106 8.663 1.00 0.91 C ATOM 854 CG HIS A 586 -4.029 11.524 9.699 1.00 1.48 C ATOM 855 ND1 HIS A 586 -2.726 11.887 9.458 1.00 3.10 N ATOM 856 CD2 HIS A 586 -4.233 11.636 11.048 1.00 2.09 C ATOM 857 CE1 HIS A 586 -2.156 12.218 10.626 1.00 3.77 C ATOM 858 NE2 HIS A 586 -3.038 12.081 11.635 1.00 2.99 N ATOM 0 H HIS A 586 -4.925 9.374 6.304 1.00 0.76 H new ATOM 0 HA HIS A 586 -4.545 9.093 9.205 1.00 0.79 H new ATOM 0 HB2 HIS A 586 -4.841 11.638 7.733 1.00 0.91 H new ATOM 0 HB3 HIS A 586 -6.036 11.411 8.995 1.00 0.91 H new ATOM 0 HD1 HIS A 586 -2.270 11.902 8.546 1.00 3.10 H new ATOM 0 HD2 HIS A 586 -5.153 11.420 11.570 1.00 2.09 H new ATOM 0 HE1 HIS A 586 -1.134 12.548 10.741 1.00 3.77 H new ATOM 866 N GLY A 587 -6.927 8.270 9.295 1.00 0.74 N ATOM 867 CA GLY A 587 -8.286 7.755 9.389 1.00 0.77 C ATOM 868 C GLY A 587 -8.308 6.372 10.023 1.00 0.74 C ATOM 869 O GLY A 587 -7.275 5.832 10.423 1.00 0.83 O ATOM 0 H GLY A 587 -6.329 7.968 10.064 1.00 0.74 H new ATOM 0 HA2 GLY A 587 -8.897 8.438 9.979 1.00 0.77 H new ATOM 0 HA3 GLY A 587 -8.730 7.709 8.395 1.00 0.77 H new ATOM 873 N VAL A 588 -9.504 5.791 10.078 1.00 0.68 N ATOM 874 CA VAL A 588 -9.749 4.438 10.578 1.00 0.69 C ATOM 875 C VAL A 588 -10.722 3.721 9.628 1.00 0.65 C ATOM 876 O VAL A 588 -11.577 4.352 8.998 1.00 0.63 O ATOM 877 CB VAL A 588 -10.265 4.455 12.042 1.00 0.75 C ATOM 878 CG1 VAL A 588 -10.480 3.054 12.625 1.00 0.79 C ATOM 879 CG2 VAL A 588 -9.298 5.183 12.986 1.00 0.86 C ATOM 0 H VAL A 588 -10.354 6.261 9.767 1.00 0.68 H new ATOM 0 HA VAL A 588 -8.810 3.885 10.598 1.00 0.69 H new ATOM 0 HB VAL A 588 -11.219 4.978 11.981 1.00 0.75 H new ATOM 0 HG11 VAL A 588 -10.841 3.138 13.650 1.00 0.79 H new ATOM 0 HG12 VAL A 588 -11.215 2.519 12.024 1.00 0.79 H new ATOM 0 HG13 VAL A 588 -9.537 2.507 12.616 1.00 0.79 H new ATOM 0 HG21 VAL A 588 -9.700 5.170 13.999 1.00 0.86 H new ATOM 0 HG22 VAL A 588 -8.330 4.682 12.973 1.00 0.86 H new ATOM 0 HG23 VAL A 588 -9.176 6.215 12.657 1.00 0.86 H new ATOM 889 N VAL A 589 -10.607 2.401 9.520 1.00 0.68 N ATOM 890 CA VAL A 589 -11.479 1.515 8.731 1.00 0.68 C ATOM 891 C VAL A 589 -11.976 0.341 9.582 1.00 0.71 C ATOM 892 O VAL A 589 -11.244 -0.126 10.451 1.00 0.74 O ATOM 893 CB VAL A 589 -10.778 1.029 7.449 1.00 0.72 C ATOM 894 CG1 VAL A 589 -10.398 2.200 6.532 1.00 0.74 C ATOM 895 CG2 VAL A 589 -9.511 0.219 7.738 1.00 0.75 C ATOM 0 H VAL A 589 -9.869 1.888 10.001 1.00 0.68 H new ATOM 0 HA VAL A 589 -12.350 2.092 8.420 1.00 0.68 H new ATOM 0 HB VAL A 589 -11.504 0.385 6.952 1.00 0.72 H new ATOM 0 HG11 VAL A 589 -9.906 1.817 5.638 1.00 0.74 H new ATOM 0 HG12 VAL A 589 -11.298 2.745 6.246 1.00 0.74 H new ATOM 0 HG13 VAL A 589 -9.720 2.871 7.060 1.00 0.74 H new ATOM 0 HG21 VAL A 589 -9.059 -0.097 6.798 1.00 0.75 H new ATOM 0 HG22 VAL A 589 -8.803 0.836 8.291 1.00 0.75 H new ATOM 0 HG23 VAL A 589 -9.768 -0.659 8.331 1.00 0.75 H new ATOM 905 N SER A 590 -13.183 -0.160 9.306 1.00 0.74 N ATOM 906 CA SER A 590 -13.693 -1.446 9.834 1.00 0.89 C ATOM 907 C SER A 590 -13.686 -2.463 8.705 1.00 1.00 C ATOM 908 O SER A 590 -14.149 -2.230 7.585 1.00 0.91 O ATOM 909 CB SER A 590 -15.135 -1.406 10.359 1.00 1.06 C ATOM 910 OG SER A 590 -15.258 -0.724 11.585 1.00 1.24 O ATOM 0 H SER A 590 -13.851 0.318 8.700 1.00 0.74 H new ATOM 0 HA SER A 590 -13.041 -1.695 10.671 1.00 0.89 H new ATOM 0 HB2 SER A 590 -15.772 -0.925 9.617 1.00 1.06 H new ATOM 0 HB3 SER A 590 -15.500 -2.426 10.479 1.00 1.06 H new ATOM 0 HG SER A 590 -15.434 0.225 11.415 1.00 1.24 H new ATOM 916 N VAL A 591 -13.052 -3.575 9.020 1.00 1.18 N ATOM 917 CA VAL A 591 -12.227 -4.310 8.094 1.00 0.93 C ATOM 918 C VAL A 591 -12.354 -5.792 8.381 1.00 0.82 C ATOM 919 O VAL A 591 -12.576 -6.185 9.528 1.00 0.89 O ATOM 920 CB VAL A 591 -10.790 -3.779 8.271 1.00 1.30 C ATOM 921 CG1 VAL A 591 -10.364 -3.763 9.722 1.00 2.56 C ATOM 922 CG2 VAL A 591 -9.701 -4.641 7.720 1.00 1.02 C ATOM 0 H VAL A 591 -13.100 -3.998 9.947 1.00 1.18 H new ATOM 0 HA VAL A 591 -12.529 -4.174 7.056 1.00 0.93 H new ATOM 0 HB VAL A 591 -10.873 -2.816 7.768 1.00 1.30 H new ATOM 0 HG11 VAL A 591 -9.346 -3.382 9.798 1.00 2.56 H new ATOM 0 HG12 VAL A 591 -11.036 -3.120 10.291 1.00 2.56 H new ATOM 0 HG13 VAL A 591 -10.403 -4.775 10.124 1.00 2.56 H new ATOM 0 HG21 VAL A 591 -8.736 -4.168 7.902 1.00 1.02 H new ATOM 0 HG22 VAL A 591 -9.726 -5.615 8.208 1.00 1.02 H new ATOM 0 HG23 VAL A 591 -9.846 -4.769 6.647 1.00 1.02 H new ATOM 932 N LEU A 592 -12.140 -6.614 7.364 1.00 1.01 N ATOM 933 CA LEU A 592 -11.850 -8.022 7.583 1.00 1.58 C ATOM 934 C LEU A 592 -10.432 -8.340 7.108 1.00 1.94 C ATOM 935 O LEU A 592 -10.043 -7.930 6.011 1.00 1.95 O ATOM 936 CB LEU A 592 -12.860 -8.915 6.824 1.00 2.02 C ATOM 937 CG LEU A 592 -14.358 -8.884 7.192 1.00 2.22 C ATOM 938 CD1 LEU A 592 -14.581 -9.104 8.682 1.00 2.34 C ATOM 939 CD2 LEU A 592 -15.113 -7.621 6.773 1.00 2.11 C ATOM 0 H LEU A 592 -12.162 -6.332 6.384 1.00 1.01 H new ATOM 0 HA LEU A 592 -11.934 -8.227 8.650 1.00 1.58 H new ATOM 0 HB2 LEU A 592 -12.782 -8.663 5.766 1.00 2.02 H new ATOM 0 HB3 LEU A 592 -12.523 -9.946 6.931 1.00 2.02 H new ATOM 0 HG LEU A 592 -14.771 -9.708 6.611 1.00 2.22 H new ATOM 0 HD11 LEU A 592 -15.649 -9.075 8.898 1.00 2.34 H new ATOM 0 HD12 LEU A 592 -14.179 -10.075 8.971 1.00 2.34 H new ATOM 0 HD13 LEU A 592 -14.075 -8.320 9.245 1.00 2.34 H new ATOM 0 HD21 LEU A 592 -16.156 -7.702 7.079 1.00 2.11 H new ATOM 0 HD22 LEU A 592 -14.661 -6.752 7.251 1.00 2.11 H new ATOM 0 HD23 LEU A 592 -15.060 -7.508 5.690 1.00 2.11 H new ATOM 951 N THR A 593 -9.697 -9.166 7.855 1.00 2.36 N ATOM 952 CA THR A 593 -8.813 -10.145 7.191 1.00 2.55 C ATOM 953 C THR A 593 -9.484 -11.524 7.169 1.00 2.73 C ATOM 954 O THR A 593 -9.992 -12.008 8.185 1.00 3.03 O ATOM 955 CB THR A 593 -7.372 -10.094 7.719 1.00 2.92 C ATOM 956 OG1 THR A 593 -7.304 -10.001 9.126 1.00 3.07 O ATOM 957 CG2 THR A 593 -6.702 -8.847 7.144 1.00 2.82 C ATOM 0 H THR A 593 -9.688 -9.186 8.875 1.00 2.36 H new ATOM 0 HA THR A 593 -8.682 -9.872 6.144 1.00 2.55 H new ATOM 0 HB THR A 593 -6.880 -11.019 7.418 1.00 2.92 H new ATOM 0 HG1 THR A 593 -6.366 -9.974 9.407 1.00 3.07 H new ATOM 0 HG21 THR A 593 -5.675 -8.787 7.504 1.00 2.82 H new ATOM 0 HG22 THR A 593 -6.702 -8.903 6.055 1.00 2.82 H new ATOM 0 HG23 THR A 593 -7.250 -7.960 7.461 1.00 2.82 H new ATOM 965 N LYS A 594 -9.610 -12.115 5.971 1.00 2.61 N ATOM 966 CA LYS A 594 -10.652 -13.132 5.668 1.00 2.66 C ATOM 967 C LYS A 594 -10.379 -14.551 6.190 1.00 3.01 C ATOM 968 O LYS A 594 -11.324 -15.325 6.351 1.00 3.18 O ATOM 969 CB LYS A 594 -11.087 -13.117 4.183 1.00 2.58 C ATOM 970 CG LYS A 594 -9.999 -12.867 3.119 1.00 3.09 C ATOM 971 CD LYS A 594 -10.005 -11.397 2.653 1.00 3.64 C ATOM 972 CE LYS A 594 -8.953 -11.046 1.588 1.00 4.78 C ATOM 973 NZ LYS A 594 -9.129 -11.795 0.322 1.00 5.33 N ATOM 0 H LYS A 594 -8.999 -11.908 5.181 1.00 2.61 H new ATOM 0 HA LYS A 594 -11.505 -12.804 6.262 1.00 2.66 H new ATOM 0 HB2 LYS A 594 -11.558 -14.075 3.962 1.00 2.58 H new ATOM 0 HB3 LYS A 594 -11.853 -12.350 4.066 1.00 2.58 H new ATOM 0 HG2 LYS A 594 -9.021 -13.118 3.529 1.00 3.09 H new ATOM 0 HG3 LYS A 594 -10.164 -13.523 2.264 1.00 3.09 H new ATOM 0 HD2 LYS A 594 -10.993 -11.162 2.257 1.00 3.64 H new ATOM 0 HD3 LYS A 594 -9.849 -10.756 3.521 1.00 3.64 H new ATOM 0 HE2 LYS A 594 -9.000 -9.977 1.379 1.00 4.78 H new ATOM 0 HE3 LYS A 594 -7.960 -11.250 1.988 1.00 4.78 H new ATOM 0 HZ1 LYS A 594 -8.980 -11.155 -0.484 1.00 5.33 H new ATOM 0 HZ2 LYS A 594 -8.439 -12.572 0.279 1.00 5.33 H new ATOM 0 HZ3 LYS A 594 -10.092 -12.185 0.280 1.00 5.33 H new ATOM 987 N GLY A 595 -9.132 -14.859 6.541 1.00 4.08 N ATOM 988 CA GLY A 595 -8.743 -16.013 7.367 1.00 4.61 C ATOM 989 C GLY A 595 -8.959 -15.818 8.867 1.00 4.65 C ATOM 990 O GLY A 595 -8.902 -16.761 9.657 1.00 5.08 O ATOM 0 H GLY A 595 -8.333 -14.296 6.251 1.00 4.08 H new ATOM 0 HA2 GLY A 595 -9.310 -16.885 7.041 1.00 4.61 H new ATOM 0 HA3 GLY A 595 -7.690 -16.233 7.190 1.00 4.61 H new ATOM 994 N ASN A 596 -9.119 -14.561 9.270 1.00 4.28 N ATOM 995 CA ASN A 596 -8.555 -14.045 10.501 1.00 4.41 C ATOM 996 C ASN A 596 -9.633 -13.286 11.295 1.00 4.19 C ATOM 997 O ASN A 596 -10.580 -13.912 11.776 1.00 4.63 O ATOM 998 CB ASN A 596 -7.360 -13.165 10.100 1.00 4.23 C ATOM 999 CG ASN A 596 -6.180 -13.830 9.403 1.00 4.56 C ATOM 1000 OD1 ASN A 596 -6.056 -15.040 9.268 1.00 4.95 O ATOM 1001 ND2 ASN A 596 -5.232 -13.029 8.983 1.00 4.53 N ATOM 0 H ASN A 596 -9.650 -13.869 8.741 1.00 4.28 H new ATOM 0 HA ASN A 596 -8.207 -14.837 11.164 1.00 4.41 H new ATOM 0 HB2 ASN A 596 -7.732 -12.376 9.446 1.00 4.23 H new ATOM 0 HB3 ASN A 596 -6.985 -12.681 11.002 1.00 4.23 H new ATOM 0 HD21 ASN A 596 -4.395 -13.415 8.546 1.00 4.53 H new ATOM 0 HD22 ASN A 596 -5.331 -12.020 9.093 1.00 4.53 H new ATOM 1008 N LYS A 597 -9.454 -11.969 11.498 1.00 3.81 N ATOM 1009 CA LYS A 597 -10.315 -11.117 12.322 1.00 3.61 C ATOM 1010 C LYS A 597 -11.206 -10.155 11.543 1.00 2.64 C ATOM 1011 O LYS A 597 -10.737 -9.456 10.643 1.00 2.36 O ATOM 1012 CB LYS A 597 -9.491 -10.383 13.401 1.00 4.16 C ATOM 1013 CG LYS A 597 -9.097 -11.231 14.627 1.00 4.76 C ATOM 1014 CD LYS A 597 -8.160 -12.429 14.385 1.00 4.91 C ATOM 1015 CE LYS A 597 -6.848 -12.076 13.672 1.00 5.65 C ATOM 1016 NZ LYS A 597 -5.913 -11.335 14.548 1.00 6.62 N ATOM 0 H LYS A 597 -8.679 -11.456 11.077 1.00 3.81 H new ATOM 0 HA LYS A 597 -11.013 -11.799 12.808 1.00 3.61 H new ATOM 0 HB2 LYS A 597 -8.581 -9.999 12.940 1.00 4.16 H new ATOM 0 HB3 LYS A 597 -10.062 -9.521 13.746 1.00 4.16 H new ATOM 0 HG2 LYS A 597 -8.622 -10.572 15.354 1.00 4.76 H new ATOM 0 HG3 LYS A 597 -10.012 -11.606 15.086 1.00 4.76 H new ATOM 0 HD2 LYS A 597 -7.925 -12.890 15.344 1.00 4.91 H new ATOM 0 HD3 LYS A 597 -8.691 -13.176 13.794 1.00 4.91 H new ATOM 0 HE2 LYS A 597 -6.369 -12.991 13.325 1.00 5.65 H new ATOM 0 HE3 LYS A 597 -7.067 -11.476 12.789 1.00 5.65 H new ATOM 0 HZ1 LYS A 597 -5.042 -11.119 14.022 1.00 6.62 H new ATOM 0 HZ2 LYS A 597 -6.358 -10.448 14.860 1.00 6.62 H new ATOM 0 HZ3 LYS A 597 -5.681 -11.916 15.379 1.00 6.62 H new ATOM 1030 N GLU A 598 -12.441 -9.987 12.022 1.00 2.44 N ATOM 1031 CA GLU A 598 -13.130 -8.702 11.920 1.00 1.85 C ATOM 1032 C GLU A 598 -12.467 -7.687 12.853 1.00 1.31 C ATOM 1033 O GLU A 598 -12.355 -7.868 14.071 1.00 1.32 O ATOM 1034 CB GLU A 598 -14.652 -8.783 12.134 1.00 2.44 C ATOM 1035 CG GLU A 598 -15.070 -9.274 13.524 1.00 3.12 C ATOM 1036 CD GLU A 598 -16.588 -9.384 13.626 1.00 3.64 C ATOM 1037 OE1 GLU A 598 -17.246 -8.349 13.893 1.00 3.24 O ATOM 1038 OE2 GLU A 598 -17.128 -10.506 13.472 1.00 5.00 O ATOM 0 H GLU A 598 -12.980 -10.721 12.481 1.00 2.44 H new ATOM 0 HA GLU A 598 -13.024 -8.364 10.889 1.00 1.85 H new ATOM 0 HB2 GLU A 598 -15.083 -7.796 11.966 1.00 2.44 H new ATOM 0 HB3 GLU A 598 -15.077 -9.449 11.383 1.00 2.44 H new ATOM 0 HG2 GLU A 598 -14.616 -10.245 13.723 1.00 3.12 H new ATOM 0 HG3 GLU A 598 -14.699 -8.587 14.284 1.00 3.12 H new ATOM 1045 N MET A 599 -11.979 -6.617 12.247 1.00 1.02 N ATOM 1046 CA MET A 599 -10.952 -5.745 12.781 1.00 0.97 C ATOM 1047 C MET A 599 -11.306 -4.269 12.559 1.00 1.03 C ATOM 1048 O MET A 599 -12.306 -3.940 11.908 1.00 1.49 O ATOM 1049 CB MET A 599 -9.647 -6.295 12.183 1.00 1.08 C ATOM 1050 CG MET A 599 -8.375 -5.470 12.344 1.00 2.52 C ATOM 1051 SD MET A 599 -6.867 -6.330 11.823 1.00 2.77 S ATOM 1052 CE MET A 599 -7.397 -6.923 10.191 1.00 2.16 C ATOM 0 H MET A 599 -12.305 -6.321 11.327 1.00 1.02 H new ATOM 0 HA MET A 599 -10.843 -5.748 13.866 1.00 0.97 H new ATOM 0 HB2 MET A 599 -9.466 -7.275 12.624 1.00 1.08 H new ATOM 0 HB3 MET A 599 -9.810 -6.451 11.117 1.00 1.08 H new ATOM 0 HG2 MET A 599 -8.475 -4.551 11.766 1.00 2.52 H new ATOM 0 HG3 MET A 599 -8.272 -5.180 13.390 1.00 2.52 H new ATOM 0 HE1 MET A 599 -6.525 -7.239 9.618 1.00 2.16 H new ATOM 0 HE2 MET A 599 -8.076 -7.767 10.313 1.00 2.16 H new ATOM 0 HE3 MET A 599 -7.908 -6.120 9.660 1.00 2.16 H new ATOM 1062 N LYS A 600 -10.505 -3.383 13.146 1.00 0.94 N ATOM 1063 CA LYS A 600 -10.172 -2.038 12.711 1.00 0.90 C ATOM 1064 C LYS A 600 -8.718 -1.893 12.249 1.00 0.95 C ATOM 1065 O LYS A 600 -7.803 -2.436 12.868 1.00 1.09 O ATOM 1066 CB LYS A 600 -10.411 -1.068 13.889 1.00 0.97 C ATOM 1067 CG LYS A 600 -11.728 -0.295 13.911 1.00 0.98 C ATOM 1068 CD LYS A 600 -13.012 -1.073 13.642 1.00 1.13 C ATOM 1069 CE LYS A 600 -13.287 -2.240 14.589 1.00 1.59 C ATOM 1070 NZ LYS A 600 -14.513 -2.021 15.384 1.00 1.95 N ATOM 0 H LYS A 600 -10.031 -3.615 14.019 1.00 0.94 H new ATOM 0 HA LYS A 600 -10.807 -1.809 11.855 1.00 0.90 H new ATOM 0 HB2 LYS A 600 -10.341 -1.640 14.815 1.00 0.97 H new ATOM 0 HB3 LYS A 600 -9.596 -0.344 13.899 1.00 0.97 H new ATOM 0 HG2 LYS A 600 -11.822 0.179 14.888 1.00 0.98 H new ATOM 0 HG3 LYS A 600 -11.660 0.505 13.173 1.00 0.98 H new ATOM 0 HD2 LYS A 600 -13.853 -0.381 13.693 1.00 1.13 H new ATOM 0 HD3 LYS A 600 -12.977 -1.456 12.622 1.00 1.13 H new ATOM 0 HE2 LYS A 600 -13.386 -3.160 14.013 1.00 1.59 H new ATOM 0 HE3 LYS A 600 -12.438 -2.373 15.259 1.00 1.59 H new ATOM 0 HZ1 LYS A 600 -14.667 -2.833 16.015 1.00 1.95 H new ATOM 0 HZ2 LYS A 600 -14.408 -1.156 15.952 1.00 1.95 H new ATOM 0 HZ3 LYS A 600 -15.327 -1.919 14.745 1.00 1.95 H new ATOM 1084 N LEU A 601 -8.511 -1.081 11.213 1.00 0.92 N ATOM 1085 CA LEU A 601 -7.195 -0.616 10.746 1.00 0.96 C ATOM 1086 C LEU A 601 -7.129 0.916 10.828 1.00 0.88 C ATOM 1087 O LEU A 601 -8.147 1.578 10.644 1.00 0.84 O ATOM 1088 CB LEU A 601 -6.920 -1.121 9.312 1.00 1.02 C ATOM 1089 CG LEU A 601 -5.757 -2.111 9.187 1.00 1.06 C ATOM 1090 CD1 LEU A 601 -6.120 -3.454 9.808 1.00 1.09 C ATOM 1091 CD2 LEU A 601 -5.435 -2.338 7.709 1.00 1.13 C ATOM 0 H LEU A 601 -9.279 -0.713 10.652 1.00 0.92 H new ATOM 0 HA LEU A 601 -6.417 -1.026 11.390 1.00 0.96 H new ATOM 0 HB2 LEU A 601 -7.824 -1.595 8.930 1.00 1.02 H new ATOM 0 HB3 LEU A 601 -6.717 -0.262 8.673 1.00 1.02 H new ATOM 0 HG LEU A 601 -4.897 -1.691 9.709 1.00 1.06 H new ATOM 0 HD11 LEU A 601 -5.279 -4.140 9.707 1.00 1.09 H new ATOM 0 HD12 LEU A 601 -6.351 -3.316 10.864 1.00 1.09 H new ATOM 0 HD13 LEU A 601 -6.990 -3.868 9.297 1.00 1.09 H new ATOM 0 HD21 LEU A 601 -4.608 -3.042 7.621 1.00 1.13 H new ATOM 0 HD22 LEU A 601 -6.312 -2.743 7.204 1.00 1.13 H new ATOM 0 HD23 LEU A 601 -5.156 -1.391 7.248 1.00 1.13 H new ATOM 1103 N SER A 602 -5.951 1.483 11.083 1.00 0.89 N ATOM 1104 CA SER A 602 -5.760 2.926 11.329 1.00 0.87 C ATOM 1105 C SER A 602 -4.579 3.530 10.557 1.00 0.86 C ATOM 1106 O SER A 602 -3.872 2.826 9.834 1.00 0.89 O ATOM 1107 CB SER A 602 -5.601 3.153 12.836 1.00 0.97 C ATOM 1108 OG SER A 602 -4.454 2.482 13.320 1.00 1.54 O ATOM 0 H SER A 602 -5.082 0.950 11.127 1.00 0.89 H new ATOM 0 HA SER A 602 -6.644 3.444 10.956 1.00 0.87 H new ATOM 0 HB2 SER A 602 -5.519 4.220 13.042 1.00 0.97 H new ATOM 0 HB3 SER A 602 -6.487 2.794 13.359 1.00 0.97 H new ATOM 0 HG SER A 602 -4.366 2.638 14.283 1.00 1.54 H new ATOM 1114 N ASP A 603 -4.351 4.839 10.704 1.00 0.86 N ATOM 1115 CA ASP A 603 -3.224 5.574 10.114 1.00 0.86 C ATOM 1116 C ASP A 603 -1.885 4.811 10.222 1.00 0.92 C ATOM 1117 O ASP A 603 -1.531 4.300 11.290 1.00 1.01 O ATOM 1118 CB ASP A 603 -3.155 6.994 10.710 1.00 0.98 C ATOM 1119 CG ASP A 603 -2.809 7.086 12.202 1.00 1.19 C ATOM 1120 OD1 ASP A 603 -3.548 6.534 13.056 1.00 2.10 O ATOM 1121 OD2 ASP A 603 -1.791 7.727 12.551 1.00 1.43 O ATOM 0 H ASP A 603 -4.966 5.438 11.255 1.00 0.86 H new ATOM 0 HA ASP A 603 -3.404 5.665 9.043 1.00 0.86 H new ATOM 0 HB2 ASP A 603 -2.414 7.565 10.151 1.00 0.98 H new ATOM 0 HB3 ASP A 603 -4.118 7.480 10.551 1.00 0.98 H new ATOM 1126 N GLY A 604 -1.172 4.675 9.097 1.00 0.92 N ATOM 1127 CA GLY A 604 0.039 3.852 8.985 1.00 1.00 C ATOM 1128 C GLY A 604 -0.177 2.353 8.709 1.00 0.98 C ATOM 1129 O GLY A 604 0.717 1.553 9.003 1.00 1.22 O ATOM 0 H GLY A 604 -1.424 5.141 8.225 1.00 0.92 H new ATOM 0 HA2 GLY A 604 0.658 4.261 8.186 1.00 1.00 H new ATOM 0 HA3 GLY A 604 0.607 3.951 9.910 1.00 1.00 H new ATOM 1133 N SER A 605 -1.351 1.958 8.196 1.00 1.04 N ATOM 1134 CA SER A 605 -1.702 0.570 7.814 1.00 0.98 C ATOM 1135 C SER A 605 -1.888 0.362 6.301 1.00 1.01 C ATOM 1136 O SER A 605 -2.054 1.332 5.557 1.00 1.06 O ATOM 1137 CB SER A 605 -2.973 0.119 8.528 1.00 0.86 C ATOM 1138 OG SER A 605 -2.905 0.323 9.923 1.00 0.91 O ATOM 0 H SER A 605 -2.113 2.614 8.027 1.00 1.04 H new ATOM 0 HA SER A 605 -0.848 -0.033 8.121 1.00 0.98 H new ATOM 0 HB2 SER A 605 -3.826 0.664 8.125 1.00 0.86 H new ATOM 0 HB3 SER A 605 -3.145 -0.938 8.326 1.00 0.86 H new ATOM 0 HG SER A 605 -3.134 1.253 10.129 1.00 0.91 H new ATOM 1144 N TYR A 606 -1.916 -0.902 5.850 1.00 1.02 N ATOM 1145 CA TYR A 606 -1.798 -1.283 4.429 1.00 1.06 C ATOM 1146 C TYR A 606 -2.815 -2.352 3.984 1.00 1.09 C ATOM 1147 O TYR A 606 -3.068 -3.332 4.690 1.00 1.24 O ATOM 1148 CB TYR A 606 -0.368 -1.778 4.142 1.00 1.36 C ATOM 1149 CG TYR A 606 0.716 -0.918 4.763 1.00 1.36 C ATOM 1150 CD1 TYR A 606 1.212 0.210 4.083 1.00 3.04 C ATOM 1151 CD2 TYR A 606 1.171 -1.212 6.063 1.00 2.32 C ATOM 1152 CE1 TYR A 606 2.130 1.066 4.718 1.00 4.67 C ATOM 1153 CE2 TYR A 606 2.071 -0.346 6.707 1.00 3.85 C ATOM 1154 CZ TYR A 606 2.537 0.808 6.045 1.00 4.90 C ATOM 1155 OH TYR A 606 3.394 1.658 6.666 1.00 6.75 O ATOM 0 H TYR A 606 -2.023 -1.704 6.472 1.00 1.02 H new ATOM 0 HA TYR A 606 -2.021 -0.386 3.851 1.00 1.06 H new ATOM 0 HB2 TYR A 606 -0.266 -2.798 4.513 1.00 1.36 H new ATOM 0 HB3 TYR A 606 -0.216 -1.814 3.063 1.00 1.36 H new ATOM 0 HD1 TYR A 606 0.888 0.418 3.074 1.00 3.04 H new ATOM 0 HD2 TYR A 606 0.828 -2.104 6.566 1.00 2.32 H new ATOM 0 HE1 TYR A 606 2.524 1.922 4.190 1.00 4.67 H new ATOM 0 HE2 TYR A 606 2.406 -0.565 7.710 1.00 3.85 H new ATOM 0 HH TYR A 606 3.572 1.337 7.575 1.00 6.75 H new ATOM 1165 N PHE A 607 -3.369 -2.179 2.781 1.00 1.02 N ATOM 1166 CA PHE A 607 -4.393 -3.052 2.189 1.00 1.13 C ATOM 1167 C PHE A 607 -3.894 -4.050 1.129 1.00 1.32 C ATOM 1168 O PHE A 607 -2.818 -3.898 0.545 1.00 1.70 O ATOM 1169 CB PHE A 607 -5.464 -2.156 1.559 1.00 1.62 C ATOM 1170 CG PHE A 607 -6.193 -1.288 2.555 1.00 1.05 C ATOM 1171 CD1 PHE A 607 -7.064 -1.897 3.469 1.00 1.97 C ATOM 1172 CD2 PHE A 607 -6.047 0.111 2.549 1.00 1.85 C ATOM 1173 CE1 PHE A 607 -7.808 -1.107 4.352 1.00 2.31 C ATOM 1174 CE2 PHE A 607 -6.794 0.902 3.434 1.00 1.57 C ATOM 1175 CZ PHE A 607 -7.672 0.290 4.339 1.00 1.28 C ATOM 0 H PHE A 607 -3.111 -1.404 2.171 1.00 1.02 H new ATOM 0 HA PHE A 607 -4.769 -3.671 3.003 1.00 1.13 H new ATOM 0 HB2 PHE A 607 -4.996 -1.518 0.809 1.00 1.62 H new ATOM 0 HB3 PHE A 607 -6.188 -2.782 1.038 1.00 1.62 H new ATOM 0 HD1 PHE A 607 -7.160 -2.972 3.491 1.00 1.97 H new ATOM 0 HD2 PHE A 607 -5.358 0.577 1.861 1.00 1.85 H new ATOM 0 HE1 PHE A 607 -8.490 -1.574 5.047 1.00 2.31 H new ATOM 0 HE2 PHE A 607 -6.693 1.977 3.418 1.00 1.57 H new ATOM 0 HZ PHE A 607 -8.245 0.894 5.027 1.00 1.28 H new ATOM 1185 N GLY A 608 -4.757 -5.024 0.823 1.00 1.48 N ATOM 1186 CA GLY A 608 -4.835 -5.738 -0.454 1.00 1.89 C ATOM 1187 C GLY A 608 -4.112 -7.092 -0.543 1.00 2.24 C ATOM 1188 O GLY A 608 -4.343 -7.818 -1.506 1.00 3.33 O ATOM 0 H GLY A 608 -5.454 -5.351 1.492 1.00 1.48 H new ATOM 0 HA2 GLY A 608 -5.887 -5.900 -0.688 1.00 1.89 H new ATOM 0 HA3 GLY A 608 -4.433 -5.088 -1.231 1.00 1.89 H new ATOM 1192 N GLU A 609 -3.258 -7.447 0.426 1.00 2.39 N ATOM 1193 CA GLU A 609 -2.444 -8.685 0.418 1.00 2.80 C ATOM 1194 C GLU A 609 -1.607 -8.875 -0.875 1.00 2.13 C ATOM 1195 O GLU A 609 -1.564 -9.949 -1.484 1.00 3.09 O ATOM 1196 CB GLU A 609 -3.322 -9.888 0.826 1.00 4.22 C ATOM 1197 CG GLU A 609 -2.505 -11.068 1.374 1.00 5.26 C ATOM 1198 CD GLU A 609 -3.414 -12.149 1.968 1.00 6.05 C ATOM 1199 OE1 GLU A 609 -4.242 -12.738 1.235 1.00 6.10 O ATOM 1200 OE2 GLU A 609 -3.323 -12.438 3.187 1.00 7.10 O ATOM 0 H GLU A 609 -3.105 -6.875 1.257 1.00 2.39 H new ATOM 0 HA GLU A 609 -1.666 -8.596 1.176 1.00 2.80 H new ATOM 0 HB2 GLU A 609 -4.039 -9.568 1.582 1.00 4.22 H new ATOM 0 HB3 GLU A 609 -3.897 -10.221 -0.038 1.00 4.22 H new ATOM 0 HG2 GLU A 609 -1.901 -11.497 0.574 1.00 5.26 H new ATOM 0 HG3 GLU A 609 -1.815 -10.711 2.138 1.00 5.26 H new ATOM 1207 N ILE A 610 -0.950 -7.800 -1.329 1.00 1.91 N ATOM 1208 CA ILE A 610 -0.279 -7.699 -2.637 1.00 2.26 C ATOM 1209 C ILE A 610 1.216 -8.043 -2.538 1.00 1.89 C ATOM 1210 O ILE A 610 1.951 -7.425 -1.765 1.00 2.97 O ATOM 1211 CB ILE A 610 -0.495 -6.282 -3.231 1.00 4.23 C ATOM 1212 CG1 ILE A 610 -1.984 -6.020 -3.525 1.00 5.77 C ATOM 1213 CG2 ILE A 610 0.329 -6.052 -4.514 1.00 5.18 C ATOM 1214 CD1 ILE A 610 -2.347 -4.532 -3.593 1.00 7.59 C ATOM 0 H ILE A 610 -0.867 -6.945 -0.779 1.00 1.91 H new ATOM 0 HA ILE A 610 -0.725 -8.432 -3.309 1.00 2.26 H new ATOM 0 HB ILE A 610 -0.148 -5.579 -2.474 1.00 4.23 H new ATOM 0 HG12 ILE A 610 -2.247 -6.492 -4.471 1.00 5.77 H new ATOM 0 HG13 ILE A 610 -2.587 -6.497 -2.752 1.00 5.77 H new ATOM 0 HG21 ILE A 610 0.143 -5.046 -4.890 1.00 5.18 H new ATOM 0 HG22 ILE A 610 1.390 -6.165 -4.290 1.00 5.18 H new ATOM 0 HG23 ILE A 610 0.038 -6.782 -5.269 1.00 5.18 H new ATOM 0 HD11 ILE A 610 -3.411 -4.426 -3.803 1.00 7.59 H new ATOM 0 HD12 ILE A 610 -2.117 -4.057 -2.639 1.00 7.59 H new ATOM 0 HD13 ILE A 610 -1.771 -4.053 -4.385 1.00 7.59 H new ATOM 1226 N CYS A 611 1.681 -8.951 -3.404 1.00 2.12 N ATOM 1227 CA CYS A 611 3.095 -9.114 -3.764 1.00 2.78 C ATOM 1228 C CYS A 611 3.433 -8.289 -5.023 1.00 1.88 C ATOM 1229 O CYS A 611 2.644 -8.266 -5.964 1.00 2.10 O ATOM 1230 CB CYS A 611 3.385 -10.614 -3.935 1.00 4.68 C ATOM 1231 SG CYS A 611 5.161 -10.904 -4.178 1.00 6.26 S ATOM 0 H CYS A 611 1.069 -9.609 -3.886 1.00 2.12 H new ATOM 0 HA CYS A 611 3.739 -8.731 -2.973 1.00 2.78 H new ATOM 0 HB2 CYS A 611 3.040 -11.158 -3.056 1.00 4.68 H new ATOM 0 HB3 CYS A 611 2.829 -11.002 -4.788 1.00 4.68 H new ATOM 0 HG CYS A 611 5.378 -12.178 -4.317 1.00 6.26 H new ATOM 1237 N LEU A 612 4.612 -7.655 -5.100 1.00 2.00 N ATOM 1238 CA LEU A 612 5.022 -6.835 -6.264 1.00 1.51 C ATOM 1239 C LEU A 612 5.104 -7.623 -7.593 1.00 1.70 C ATOM 1240 O LEU A 612 5.023 -7.013 -8.665 1.00 1.96 O ATOM 1241 CB LEU A 612 6.369 -6.151 -5.966 1.00 1.94 C ATOM 1242 CG LEU A 612 6.284 -4.908 -5.061 1.00 1.66 C ATOM 1243 CD1 LEU A 612 7.696 -4.486 -4.675 1.00 2.24 C ATOM 1244 CD2 LEU A 612 5.609 -3.716 -5.756 1.00 1.28 C ATOM 0 H LEU A 612 5.313 -7.692 -4.360 1.00 2.00 H new ATOM 0 HA LEU A 612 4.239 -6.091 -6.409 1.00 1.51 H new ATOM 0 HB2 LEU A 612 7.032 -6.878 -5.497 1.00 1.94 H new ATOM 0 HB3 LEU A 612 6.829 -5.863 -6.911 1.00 1.94 H new ATOM 0 HG LEU A 612 5.685 -5.180 -4.192 1.00 1.66 H new ATOM 0 HD11 LEU A 612 7.650 -3.606 -4.034 1.00 2.24 H new ATOM 0 HD12 LEU A 612 8.186 -5.300 -4.140 1.00 2.24 H new ATOM 0 HD13 LEU A 612 8.264 -4.250 -5.575 1.00 2.24 H new ATOM 0 HD21 LEU A 612 5.576 -2.867 -5.073 1.00 1.28 H new ATOM 0 HD22 LEU A 612 6.177 -3.444 -6.645 1.00 1.28 H new ATOM 0 HD23 LEU A 612 4.594 -3.990 -6.044 1.00 1.28 H new ATOM 1256 N LEU A 613 5.214 -8.956 -7.521 1.00 2.13 N ATOM 1257 CA LEU A 613 5.186 -9.886 -8.660 1.00 2.83 C ATOM 1258 C LEU A 613 3.930 -10.771 -8.747 1.00 2.89 C ATOM 1259 O LEU A 613 3.888 -11.706 -9.548 1.00 3.51 O ATOM 1260 CB LEU A 613 6.506 -10.668 -8.738 1.00 3.66 C ATOM 1261 CG LEU A 613 6.937 -11.560 -7.561 1.00 4.08 C ATOM 1262 CD1 LEU A 613 6.002 -12.745 -7.327 1.00 5.18 C ATOM 1263 CD2 LEU A 613 8.328 -12.116 -7.875 1.00 4.77 C ATOM 0 H LEU A 613 5.330 -9.438 -6.629 1.00 2.13 H new ATOM 0 HA LEU A 613 5.102 -9.277 -9.560 1.00 2.83 H new ATOM 0 HB2 LEU A 613 6.457 -11.300 -9.624 1.00 3.66 H new ATOM 0 HB3 LEU A 613 7.303 -9.944 -8.906 1.00 3.66 H new ATOM 0 HG LEU A 613 6.919 -10.944 -6.662 1.00 4.08 H new ATOM 0 HD11 LEU A 613 6.364 -13.333 -6.483 1.00 5.18 H new ATOM 0 HD12 LEU A 613 4.998 -12.379 -7.111 1.00 5.18 H new ATOM 0 HD13 LEU A 613 5.976 -13.370 -8.220 1.00 5.18 H new ATOM 0 HD21 LEU A 613 8.659 -12.753 -7.055 1.00 4.77 H new ATOM 0 HD22 LEU A 613 8.287 -12.700 -8.795 1.00 4.77 H new ATOM 0 HD23 LEU A 613 9.030 -11.291 -7.999 1.00 4.77 H new ATOM 1275 N THR A 614 2.918 -10.480 -7.927 1.00 2.39 N ATOM 1276 CA THR A 614 1.650 -11.239 -7.846 1.00 2.51 C ATOM 1277 C THR A 614 0.995 -11.482 -9.208 1.00 2.50 C ATOM 1278 O THR A 614 1.111 -10.660 -10.128 1.00 2.88 O ATOM 1279 CB THR A 614 0.656 -10.562 -6.890 1.00 3.26 C ATOM 1280 OG1 THR A 614 -0.404 -11.417 -6.541 1.00 3.70 O ATOM 1281 CG2 THR A 614 0.034 -9.271 -7.422 1.00 4.56 C ATOM 0 H THR A 614 2.950 -9.691 -7.281 1.00 2.39 H new ATOM 0 HA THR A 614 1.919 -12.218 -7.449 1.00 2.51 H new ATOM 0 HB THR A 614 1.272 -10.317 -6.025 1.00 3.26 H new ATOM 0 HG1 THR A 614 -1.013 -10.951 -5.931 1.00 3.70 H new ATOM 0 HG21 THR A 614 -0.653 -8.865 -6.680 1.00 4.56 H new ATOM 0 HG22 THR A 614 0.821 -8.544 -7.623 1.00 4.56 H new ATOM 0 HG23 THR A 614 -0.510 -9.482 -8.343 1.00 4.56 H new ATOM 1289 N ARG A 615 0.299 -12.616 -9.334 1.00 2.44 N ATOM 1290 CA ARG A 615 -0.344 -13.079 -10.578 1.00 2.66 C ATOM 1291 C ARG A 615 -1.772 -13.565 -10.335 1.00 2.65 C ATOM 1292 O ARG A 615 -2.087 -14.098 -9.269 1.00 2.72 O ATOM 1293 CB ARG A 615 0.535 -14.137 -11.273 1.00 3.11 C ATOM 1294 CG ARG A 615 0.468 -15.531 -10.630 1.00 3.93 C ATOM 1295 CD ARG A 615 1.545 -16.490 -11.150 1.00 4.63 C ATOM 1296 NE ARG A 615 1.485 -16.689 -12.611 1.00 5.28 N ATOM 1297 CZ ARG A 615 2.402 -17.275 -13.359 1.00 6.14 C ATOM 1298 NH1 ARG A 615 3.443 -17.878 -12.859 1.00 6.76 N ATOM 1299 NH2 ARG A 615 2.279 -17.267 -14.653 1.00 6.98 N ATOM 0 H ARG A 615 0.161 -13.259 -8.554 1.00 2.44 H new ATOM 0 HA ARG A 615 -0.432 -12.230 -11.256 1.00 2.66 H new ATOM 0 HB2 ARG A 615 0.232 -14.216 -12.317 1.00 3.11 H new ATOM 0 HB3 ARG A 615 1.570 -13.795 -11.266 1.00 3.11 H new ATOM 0 HG2 ARG A 615 0.571 -15.431 -9.550 1.00 3.93 H new ATOM 0 HG3 ARG A 615 -0.515 -15.963 -10.817 1.00 3.93 H new ATOM 0 HD2 ARG A 615 2.528 -16.103 -10.882 1.00 4.63 H new ATOM 0 HD3 ARG A 615 1.436 -17.454 -10.653 1.00 4.63 H new ATOM 0 HE ARG A 615 0.655 -16.340 -13.090 1.00 5.28 H new ATOM 0 HH11 ARG A 615 3.576 -17.912 -11.848 1.00 6.76 H new ATOM 0 HH12 ARG A 615 4.125 -18.317 -13.478 1.00 6.76 H new ATOM 0 HH21 ARG A 615 1.477 -16.809 -15.086 1.00 6.98 H new ATOM 0 HH22 ARG A 615 2.985 -17.718 -15.235 1.00 6.98 H new ATOM 1313 N GLY A 616 -2.641 -13.377 -11.321 1.00 3.05 N ATOM 1314 CA GLY A 616 -4.080 -13.586 -11.161 1.00 3.10 C ATOM 1315 C GLY A 616 -4.742 -12.591 -10.198 1.00 2.53 C ATOM 1316 O GLY A 616 -4.102 -11.775 -9.529 1.00 2.51 O ATOM 0 H GLY A 616 -2.370 -13.075 -12.257 1.00 3.05 H new ATOM 0 HA2 GLY A 616 -4.560 -13.509 -12.136 1.00 3.10 H new ATOM 0 HA3 GLY A 616 -4.253 -14.599 -10.799 1.00 3.10 H new ATOM 1320 N ARG A 617 -6.071 -12.621 -10.183 1.00 2.44 N ATOM 1321 CA ARG A 617 -6.945 -11.745 -9.377 1.00 2.17 C ATOM 1322 C ARG A 617 -6.777 -11.983 -7.863 1.00 2.09 C ATOM 1323 O ARG A 617 -6.951 -13.115 -7.402 1.00 2.41 O ATOM 1324 CB ARG A 617 -8.417 -11.966 -9.788 1.00 2.45 C ATOM 1325 CG ARG A 617 -8.712 -11.850 -11.297 1.00 2.66 C ATOM 1326 CD ARG A 617 -8.650 -10.411 -11.818 1.00 2.75 C ATOM 1327 NE ARG A 617 -8.534 -10.379 -13.291 1.00 4.10 N ATOM 1328 CZ ARG A 617 -8.685 -9.318 -14.063 1.00 5.44 C ATOM 1329 NH1 ARG A 617 -9.019 -8.162 -13.576 1.00 5.89 N ATOM 1330 NH2 ARG A 617 -8.473 -9.388 -15.343 1.00 6.87 N ATOM 0 H ARG A 617 -6.600 -13.281 -10.753 1.00 2.44 H new ATOM 0 HA ARG A 617 -6.653 -10.714 -9.574 1.00 2.17 H new ATOM 0 HB2 ARG A 617 -8.725 -12.956 -9.451 1.00 2.45 H new ATOM 0 HB3 ARG A 617 -9.036 -11.242 -9.258 1.00 2.45 H new ATOM 0 HG2 ARG A 617 -7.996 -12.460 -11.848 1.00 2.66 H new ATOM 0 HG3 ARG A 617 -9.702 -12.260 -11.499 1.00 2.66 H new ATOM 0 HD2 ARG A 617 -9.545 -9.871 -11.510 1.00 2.75 H new ATOM 0 HD3 ARG A 617 -7.798 -9.897 -11.373 1.00 2.75 H new ATOM 0 HE ARG A 617 -8.317 -11.261 -13.756 1.00 4.10 H new ATOM 0 HH11 ARG A 617 -9.172 -8.056 -12.573 1.00 5.89 H new ATOM 0 HH12 ARG A 617 -9.129 -7.360 -14.196 1.00 5.89 H new ATOM 0 HH21 ARG A 617 -8.186 -10.271 -15.765 1.00 6.87 H new ATOM 0 HH22 ARG A 617 -8.594 -8.560 -15.926 1.00 6.87 H new ATOM 1344 N ARG A 618 -6.511 -10.924 -7.086 1.00 1.95 N ATOM 1345 CA ARG A 618 -6.712 -10.913 -5.607 1.00 2.02 C ATOM 1346 C ARG A 618 -7.513 -9.693 -5.130 1.00 2.30 C ATOM 1347 O ARG A 618 -7.545 -8.667 -5.813 1.00 2.83 O ATOM 1348 CB ARG A 618 -5.380 -11.084 -4.838 1.00 2.30 C ATOM 1349 CG ARG A 618 -5.545 -11.806 -3.489 1.00 2.69 C ATOM 1350 CD ARG A 618 -4.196 -12.075 -2.801 1.00 2.80 C ATOM 1351 NE ARG A 618 -4.346 -12.951 -1.622 1.00 3.67 N ATOM 1352 CZ ARG A 618 -4.648 -14.236 -1.597 1.00 4.77 C ATOM 1353 NH1 ARG A 618 -4.818 -14.973 -2.653 1.00 5.59 N ATOM 1354 NH2 ARG A 618 -4.804 -14.834 -0.459 1.00 5.75 N ATOM 0 H ARG A 618 -6.150 -10.044 -7.453 1.00 1.95 H new ATOM 0 HA ARG A 618 -7.322 -11.785 -5.371 1.00 2.02 H new ATOM 0 HB2 ARG A 618 -4.679 -11.643 -5.458 1.00 2.30 H new ATOM 0 HB3 ARG A 618 -4.939 -10.102 -4.665 1.00 2.30 H new ATOM 0 HG2 ARG A 618 -6.172 -11.204 -2.831 1.00 2.69 H new ATOM 0 HG3 ARG A 618 -6.065 -12.751 -3.647 1.00 2.69 H new ATOM 0 HD2 ARG A 618 -3.511 -12.537 -3.512 1.00 2.80 H new ATOM 0 HD3 ARG A 618 -3.749 -11.129 -2.496 1.00 2.80 H new ATOM 0 HE ARG A 618 -4.198 -12.509 -0.715 1.00 3.67 H new ATOM 0 HH11 ARG A 618 -4.719 -14.564 -3.582 1.00 5.59 H new ATOM 0 HH12 ARG A 618 -5.050 -15.961 -2.553 1.00 5.59 H new ATOM 0 HH21 ARG A 618 -4.694 -14.312 0.411 1.00 5.75 H new ATOM 0 HH22 ARG A 618 -5.037 -15.827 -0.432 1.00 5.75 H new ATOM 1368 N THR A 619 -8.185 -9.830 -3.986 1.00 2.30 N ATOM 1369 CA THR A 619 -9.252 -8.936 -3.496 1.00 2.59 C ATOM 1370 C THR A 619 -9.239 -8.758 -1.967 1.00 2.12 C ATOM 1371 O THR A 619 -8.600 -9.528 -1.247 1.00 2.01 O ATOM 1372 CB THR A 619 -10.635 -9.483 -3.897 1.00 3.21 C ATOM 1373 OG1 THR A 619 -10.793 -10.808 -3.439 1.00 2.86 O ATOM 1374 CG2 THR A 619 -10.882 -9.496 -5.406 1.00 4.65 C ATOM 0 H THR A 619 -7.997 -10.599 -3.343 1.00 2.30 H new ATOM 0 HA THR A 619 -9.061 -7.966 -3.956 1.00 2.59 H new ATOM 0 HB THR A 619 -11.351 -8.803 -3.436 1.00 3.21 H new ATOM 0 HG1 THR A 619 -11.677 -11.141 -3.700 1.00 2.86 H new ATOM 0 HG21 THR A 619 -11.876 -9.894 -5.609 1.00 4.65 H new ATOM 0 HG22 THR A 619 -10.812 -8.480 -5.795 1.00 4.65 H new ATOM 0 HG23 THR A 619 -10.134 -10.123 -5.892 1.00 4.65 H new ATOM 1382 N ALA A 620 -9.976 -7.763 -1.456 1.00 1.94 N ATOM 1383 CA ALA A 620 -10.124 -7.458 -0.025 1.00 1.56 C ATOM 1384 C ALA A 620 -11.573 -7.093 0.383 1.00 1.25 C ATOM 1385 O ALA A 620 -12.425 -6.819 -0.469 1.00 1.46 O ATOM 1386 CB ALA A 620 -9.116 -6.355 0.334 1.00 1.81 C ATOM 0 H ALA A 620 -10.506 -7.124 -2.049 1.00 1.94 H new ATOM 0 HA ALA A 620 -9.908 -8.359 0.550 1.00 1.56 H new ATOM 0 HB1 ALA A 620 -9.206 -6.110 1.392 1.00 1.81 H new ATOM 0 HB2 ALA A 620 -8.105 -6.705 0.127 1.00 1.81 H new ATOM 0 HB3 ALA A 620 -9.321 -5.466 -0.263 1.00 1.81 H new ATOM 1392 N SER A 621 -11.847 -7.087 1.692 1.00 1.09 N ATOM 1393 CA SER A 621 -13.175 -6.885 2.305 1.00 1.06 C ATOM 1394 C SER A 621 -13.115 -5.841 3.437 1.00 0.93 C ATOM 1395 O SER A 621 -12.855 -6.189 4.591 1.00 0.97 O ATOM 1396 CB SER A 621 -13.681 -8.241 2.828 1.00 1.56 C ATOM 1397 OG SER A 621 -14.112 -9.070 1.760 1.00 2.19 O ATOM 0 H SER A 621 -11.118 -7.229 2.391 1.00 1.09 H new ATOM 0 HA SER A 621 -13.867 -6.498 1.557 1.00 1.06 H new ATOM 0 HB2 SER A 621 -12.886 -8.740 3.383 1.00 1.56 H new ATOM 0 HB3 SER A 621 -14.504 -8.082 3.524 1.00 1.56 H new ATOM 0 HG SER A 621 -14.427 -9.926 2.117 1.00 2.19 H new ATOM 1403 N VAL A 622 -13.262 -4.544 3.120 1.00 0.85 N ATOM 1404 CA VAL A 622 -13.180 -3.453 4.121 1.00 0.82 C ATOM 1405 C VAL A 622 -13.877 -2.128 3.726 1.00 0.79 C ATOM 1406 O VAL A 622 -13.778 -1.689 2.576 1.00 0.72 O ATOM 1407 CB VAL A 622 -11.711 -3.276 4.586 1.00 0.85 C ATOM 1408 CG1 VAL A 622 -10.598 -3.377 3.548 1.00 0.91 C ATOM 1409 CG2 VAL A 622 -11.472 -1.960 5.311 1.00 0.85 C ATOM 0 H VAL A 622 -13.440 -4.217 2.170 1.00 0.85 H new ATOM 0 HA VAL A 622 -13.778 -3.770 4.975 1.00 0.82 H new ATOM 0 HB VAL A 622 -11.634 -4.152 5.230 1.00 0.85 H new ATOM 0 HG11 VAL A 622 -9.633 -3.230 4.034 1.00 0.91 H new ATOM 0 HG12 VAL A 622 -10.624 -4.362 3.082 1.00 0.91 H new ATOM 0 HG13 VAL A 622 -10.741 -2.611 2.786 1.00 0.91 H new ATOM 0 HG21 VAL A 622 -10.426 -1.895 5.611 1.00 0.85 H new ATOM 0 HG22 VAL A 622 -11.711 -1.130 4.646 1.00 0.85 H new ATOM 0 HG23 VAL A 622 -12.107 -1.911 6.195 1.00 0.85 H new ATOM 1419 N ARG A 623 -14.499 -1.423 4.699 1.00 0.85 N ATOM 1420 CA ARG A 623 -15.095 -0.072 4.531 1.00 0.76 C ATOM 1421 C ARG A 623 -14.563 0.984 5.517 1.00 0.72 C ATOM 1422 O ARG A 623 -14.029 0.663 6.579 1.00 0.74 O ATOM 1423 CB ARG A 623 -16.641 -0.118 4.504 1.00 0.88 C ATOM 1424 CG ARG A 623 -17.357 -0.330 5.854 1.00 1.11 C ATOM 1425 CD ARG A 623 -17.459 -1.806 6.246 1.00 1.04 C ATOM 1426 NE ARG A 623 -17.979 -1.981 7.614 1.00 2.23 N ATOM 1427 CZ ARG A 623 -17.769 -3.035 8.380 1.00 3.49 C ATOM 1428 NH1 ARG A 623 -17.194 -4.122 7.951 1.00 3.88 N ATOM 1429 NH2 ARG A 623 -18.117 -3.037 9.631 1.00 4.95 N ATOM 0 H ARG A 623 -14.604 -1.784 5.647 1.00 0.85 H new ATOM 0 HA ARG A 623 -14.758 0.265 3.551 1.00 0.76 H new ATOM 0 HB2 ARG A 623 -17.001 0.816 4.072 1.00 0.88 H new ATOM 0 HB3 ARG A 623 -16.945 -0.919 3.830 1.00 0.88 H new ATOM 0 HG2 ARG A 623 -16.821 0.212 6.633 1.00 1.11 H new ATOM 0 HG3 ARG A 623 -18.358 0.097 5.800 1.00 1.11 H new ATOM 0 HD2 ARG A 623 -18.111 -2.324 5.542 1.00 1.04 H new ATOM 0 HD3 ARG A 623 -16.475 -2.270 6.170 1.00 1.04 H new ATOM 0 HE ARG A 623 -18.547 -1.227 8.000 1.00 2.23 H new ATOM 0 HH11 ARG A 623 -16.883 -4.186 6.982 1.00 3.88 H new ATOM 0 HH12 ARG A 623 -17.055 -4.909 8.584 1.00 3.88 H new ATOM 0 HH21 ARG A 623 -18.561 -2.214 10.038 1.00 4.95 H new ATOM 0 HH22 ARG A 623 -17.946 -3.862 10.207 1.00 4.95 H new ATOM 1443 N ALA A 624 -14.725 2.261 5.170 1.00 0.69 N ATOM 1444 CA ALA A 624 -14.297 3.401 5.981 1.00 0.65 C ATOM 1445 C ALA A 624 -15.072 3.502 7.304 1.00 0.65 C ATOM 1446 O ALA A 624 -16.305 3.533 7.300 1.00 0.74 O ATOM 1447 CB ALA A 624 -14.455 4.678 5.148 1.00 0.70 C ATOM 0 H ALA A 624 -15.169 2.538 4.295 1.00 0.69 H new ATOM 0 HA ALA A 624 -13.251 3.262 6.256 1.00 0.65 H new ATOM 0 HB1 ALA A 624 -14.140 5.539 5.738 1.00 0.70 H new ATOM 0 HB2 ALA A 624 -13.838 4.607 4.252 1.00 0.70 H new ATOM 0 HB3 ALA A 624 -15.500 4.798 4.860 1.00 0.70 H new ATOM 1453 N ASP A 625 -14.368 3.609 8.437 1.00 0.64 N ATOM 1454 CA ASP A 625 -14.993 3.886 9.740 1.00 0.71 C ATOM 1455 C ASP A 625 -15.321 5.372 9.894 1.00 0.76 C ATOM 1456 O ASP A 625 -16.226 5.740 10.647 1.00 0.86 O ATOM 1457 CB ASP A 625 -14.063 3.497 10.903 1.00 0.78 C ATOM 1458 CG ASP A 625 -14.869 2.970 12.092 1.00 1.14 C ATOM 1459 OD1 ASP A 625 -15.446 1.864 11.983 1.00 2.27 O ATOM 1460 OD2 ASP A 625 -14.966 3.672 13.126 1.00 1.95 O ATOM 0 H ASP A 625 -13.354 3.507 8.479 1.00 0.64 H new ATOM 0 HA ASP A 625 -15.906 3.291 9.773 1.00 0.71 H new ATOM 0 HB2 ASP A 625 -13.357 2.736 10.571 1.00 0.78 H new ATOM 0 HB3 ASP A 625 -13.477 4.363 11.211 1.00 0.78 H new ATOM 1465 N THR A 626 -14.536 6.214 9.215 1.00 0.72 N ATOM 1466 CA THR A 626 -14.512 7.668 9.426 1.00 0.72 C ATOM 1467 C THR A 626 -14.100 8.386 8.129 1.00 0.66 C ATOM 1468 O THR A 626 -13.824 7.723 7.130 1.00 0.63 O ATOM 1469 CB THR A 626 -13.606 7.978 10.637 1.00 0.78 C ATOM 1470 OG1 THR A 626 -13.439 9.360 10.834 1.00 0.86 O ATOM 1471 CG2 THR A 626 -12.224 7.339 10.534 1.00 0.78 C ATOM 0 H THR A 626 -13.889 5.901 8.492 1.00 0.72 H new ATOM 0 HA THR A 626 -15.505 8.049 9.665 1.00 0.72 H new ATOM 0 HB THR A 626 -14.129 7.543 11.489 1.00 0.78 H new ATOM 0 HG1 THR A 626 -12.861 9.512 11.611 1.00 0.86 H new ATOM 0 HG21 THR A 626 -11.638 7.596 11.416 1.00 0.78 H new ATOM 0 HG22 THR A 626 -12.328 6.256 10.470 1.00 0.78 H new ATOM 0 HG23 THR A 626 -11.718 7.708 9.642 1.00 0.78 H new ATOM 1479 N TYR A 627 -14.062 9.722 8.109 1.00 0.72 N ATOM 1480 CA TYR A 627 -13.436 10.498 7.029 1.00 0.75 C ATOM 1481 C TYR A 627 -11.940 10.149 6.967 1.00 0.70 C ATOM 1482 O TYR A 627 -11.136 10.583 7.801 1.00 0.81 O ATOM 1483 CB TYR A 627 -13.733 11.991 7.244 1.00 0.92 C ATOM 1484 CG TYR A 627 -12.852 13.022 6.542 1.00 1.21 C ATOM 1485 CD1 TYR A 627 -12.707 13.039 5.137 1.00 1.80 C ATOM 1486 CD2 TYR A 627 -12.236 14.032 7.309 1.00 2.71 C ATOM 1487 CE1 TYR A 627 -11.968 14.074 4.518 1.00 2.06 C ATOM 1488 CE2 TYR A 627 -11.509 15.069 6.690 1.00 2.97 C ATOM 1489 CZ TYR A 627 -11.384 15.098 5.288 1.00 1.99 C ATOM 1490 OH TYR A 627 -10.725 16.117 4.676 1.00 2.40 O ATOM 0 H TYR A 627 -14.467 10.301 8.845 1.00 0.72 H new ATOM 0 HA TYR A 627 -13.850 10.245 6.053 1.00 0.75 H new ATOM 0 HB2 TYR A 627 -14.763 12.171 6.935 1.00 0.92 H new ATOM 0 HB3 TYR A 627 -13.682 12.187 8.315 1.00 0.92 H new ATOM 0 HD1 TYR A 627 -13.159 12.263 4.537 1.00 1.80 H new ATOM 0 HD2 TYR A 627 -12.322 14.011 8.385 1.00 2.71 H new ATOM 0 HE1 TYR A 627 -11.851 14.079 3.444 1.00 2.06 H new ATOM 0 HE2 TYR A 627 -11.049 15.840 7.290 1.00 2.97 H new ATOM 0 HH TYR A 627 -10.384 16.739 5.352 1.00 2.40 H new ATOM 1500 N CYS A 628 -11.592 9.288 6.007 1.00 0.61 N ATOM 1501 CA CYS A 628 -10.292 8.640 5.894 1.00 0.56 C ATOM 1502 C CYS A 628 -9.545 9.168 4.650 1.00 0.59 C ATOM 1503 O CYS A 628 -9.996 9.019 3.508 1.00 0.61 O ATOM 1504 CB CYS A 628 -10.466 7.098 5.992 1.00 0.54 C ATOM 1505 SG CYS A 628 -11.048 6.315 4.469 1.00 2.24 S ATOM 0 H CYS A 628 -12.234 9.016 5.263 1.00 0.61 H new ATOM 0 HA CYS A 628 -9.639 8.897 6.728 1.00 0.56 H new ATOM 0 HB2 CYS A 628 -9.511 6.654 6.273 1.00 0.54 H new ATOM 0 HB3 CYS A 628 -11.170 6.874 6.794 1.00 0.54 H new ATOM 0 HG CYS A 628 -10.830 7.108 3.462 1.00 2.24 H new ATOM 1511 N ARG A 629 -8.387 9.790 4.897 1.00 0.65 N ATOM 1512 CA ARG A 629 -7.351 10.160 3.927 1.00 0.64 C ATOM 1513 C ARG A 629 -6.482 8.938 3.661 1.00 0.64 C ATOM 1514 O ARG A 629 -5.751 8.466 4.537 1.00 0.67 O ATOM 1515 CB ARG A 629 -6.478 11.288 4.534 1.00 0.74 C ATOM 1516 CG ARG A 629 -6.485 12.563 3.704 1.00 1.37 C ATOM 1517 CD ARG A 629 -7.835 13.282 3.770 1.00 1.57 C ATOM 1518 NE ARG A 629 -7.980 14.064 5.014 1.00 2.55 N ATOM 1519 CZ ARG A 629 -7.734 15.351 5.189 1.00 2.86 C ATOM 1520 NH1 ARG A 629 -7.219 16.121 4.277 1.00 2.78 N ATOM 1521 NH2 ARG A 629 -7.984 15.937 6.315 1.00 4.01 N ATOM 0 H ARG A 629 -8.132 10.067 5.845 1.00 0.65 H new ATOM 0 HA ARG A 629 -7.803 10.506 2.998 1.00 0.64 H new ATOM 0 HB2 ARG A 629 -6.835 11.514 5.539 1.00 0.74 H new ATOM 0 HB3 ARG A 629 -5.453 10.932 4.633 1.00 0.74 H new ATOM 0 HG2 ARG A 629 -5.700 13.231 4.059 1.00 1.37 H new ATOM 0 HG3 ARG A 629 -6.253 12.322 2.667 1.00 1.37 H new ATOM 0 HD2 ARG A 629 -7.936 13.945 2.910 1.00 1.57 H new ATOM 0 HD3 ARG A 629 -8.640 12.550 3.705 1.00 1.57 H new ATOM 0 HE ARG A 629 -8.308 13.552 5.833 1.00 2.55 H new ATOM 0 HH11 ARG A 629 -6.980 15.739 3.362 1.00 2.78 H new ATOM 0 HH12 ARG A 629 -7.054 17.108 4.476 1.00 2.78 H new ATOM 0 HH21 ARG A 629 -8.379 15.405 7.090 1.00 4.01 H new ATOM 0 HH22 ARG A 629 -7.786 16.931 6.427 1.00 4.01 H new ATOM 1535 N LEU A 630 -6.565 8.439 2.442 1.00 0.65 N ATOM 1536 CA LEU A 630 -5.834 7.268 1.959 1.00 0.68 C ATOM 1537 C LEU A 630 -4.839 7.638 0.846 1.00 0.71 C ATOM 1538 O LEU A 630 -4.856 8.736 0.293 1.00 0.76 O ATOM 1539 CB LEU A 630 -6.826 6.174 1.514 1.00 0.73 C ATOM 1540 CG LEU A 630 -7.927 5.795 2.527 1.00 0.75 C ATOM 1541 CD1 LEU A 630 -8.636 4.535 2.047 1.00 0.82 C ATOM 1542 CD2 LEU A 630 -7.436 5.461 3.937 1.00 0.79 C ATOM 0 H LEU A 630 -7.166 8.850 1.728 1.00 0.65 H new ATOM 0 HA LEU A 630 -5.237 6.869 2.779 1.00 0.68 H new ATOM 0 HB2 LEU A 630 -7.307 6.503 0.593 1.00 0.73 H new ATOM 0 HB3 LEU A 630 -6.258 5.275 1.274 1.00 0.73 H new ATOM 0 HG LEU A 630 -8.558 6.682 2.582 1.00 0.75 H new ATOM 0 HD11 LEU A 630 -9.415 4.262 2.759 1.00 0.82 H new ATOM 0 HD12 LEU A 630 -9.085 4.719 1.071 1.00 0.82 H new ATOM 0 HD13 LEU A 630 -7.916 3.720 1.967 1.00 0.82 H new ATOM 0 HD21 LEU A 630 -8.288 5.209 4.569 1.00 0.79 H new ATOM 0 HD22 LEU A 630 -6.753 4.613 3.893 1.00 0.79 H new ATOM 0 HD23 LEU A 630 -6.917 6.323 4.355 1.00 0.79 H new ATOM 1554 N TYR A 631 -3.954 6.704 0.519 1.00 0.77 N ATOM 1555 CA TYR A 631 -2.899 6.843 -0.481 1.00 0.75 C ATOM 1556 C TYR A 631 -2.813 5.591 -1.355 1.00 0.74 C ATOM 1557 O TYR A 631 -3.168 4.498 -0.906 1.00 0.87 O ATOM 1558 CB TYR A 631 -1.573 7.130 0.235 1.00 0.91 C ATOM 1559 CG TYR A 631 -1.064 8.540 0.036 1.00 2.19 C ATOM 1560 CD1 TYR A 631 -1.561 9.588 0.833 1.00 3.82 C ATOM 1561 CD2 TYR A 631 -0.107 8.802 -0.959 1.00 3.12 C ATOM 1562 CE1 TYR A 631 -1.086 10.901 0.650 1.00 5.42 C ATOM 1563 CE2 TYR A 631 0.372 10.115 -1.148 1.00 4.69 C ATOM 1564 CZ TYR A 631 -0.120 11.167 -0.343 1.00 5.64 C ATOM 1565 OH TYR A 631 0.304 12.444 -0.538 1.00 7.37 O ATOM 0 H TYR A 631 -3.951 5.786 0.964 1.00 0.77 H new ATOM 0 HA TYR A 631 -3.126 7.676 -1.146 1.00 0.75 H new ATOM 0 HB2 TYR A 631 -1.700 6.947 1.302 1.00 0.91 H new ATOM 0 HB3 TYR A 631 -0.819 6.428 -0.121 1.00 0.91 H new ATOM 0 HD1 TYR A 631 -2.308 9.385 1.586 1.00 3.82 H new ATOM 0 HD2 TYR A 631 0.262 7.998 -1.579 1.00 3.12 H new ATOM 0 HE1 TYR A 631 -1.461 11.703 1.269 1.00 5.42 H new ATOM 0 HE2 TYR A 631 1.114 10.316 -1.907 1.00 4.69 H new ATOM 0 HH TYR A 631 0.971 12.461 -1.256 1.00 7.37 H new ATOM 1575 N SER A 632 -2.335 5.732 -2.594 1.00 0.70 N ATOM 1576 CA SER A 632 -2.140 4.596 -3.504 1.00 0.79 C ATOM 1577 C SER A 632 -0.841 4.679 -4.306 1.00 0.77 C ATOM 1578 O SER A 632 -0.417 5.759 -4.718 1.00 0.92 O ATOM 1579 CB SER A 632 -3.344 4.452 -4.437 1.00 1.04 C ATOM 1580 OG SER A 632 -3.243 3.263 -5.198 1.00 2.45 O ATOM 0 H SER A 632 -2.073 6.632 -2.995 1.00 0.70 H new ATOM 0 HA SER A 632 -2.055 3.706 -2.880 1.00 0.79 H new ATOM 0 HB2 SER A 632 -4.264 4.440 -3.853 1.00 1.04 H new ATOM 0 HB3 SER A 632 -3.400 5.313 -5.103 1.00 1.04 H new ATOM 0 HG SER A 632 -2.757 2.585 -4.683 1.00 2.45 H new ATOM 1586 N LEU A 633 -0.222 3.518 -4.544 1.00 0.75 N ATOM 1587 CA LEU A 633 1.081 3.350 -5.197 1.00 0.80 C ATOM 1588 C LEU A 633 0.999 2.143 -6.155 1.00 0.81 C ATOM 1589 O LEU A 633 0.473 1.089 -5.786 1.00 0.83 O ATOM 1590 CB LEU A 633 2.141 3.179 -4.082 1.00 0.91 C ATOM 1591 CG LEU A 633 3.593 3.611 -4.378 1.00 1.12 C ATOM 1592 CD1 LEU A 633 4.415 3.385 -3.108 1.00 1.38 C ATOM 1593 CD2 LEU A 633 4.234 2.832 -5.524 1.00 1.54 C ATOM 0 H LEU A 633 -0.636 2.626 -4.273 1.00 0.75 H new ATOM 0 HA LEU A 633 1.365 4.212 -5.800 1.00 0.80 H new ATOM 0 HB2 LEU A 633 1.799 3.738 -3.211 1.00 0.91 H new ATOM 0 HB3 LEU A 633 2.159 2.126 -3.799 1.00 0.91 H new ATOM 0 HG LEU A 633 3.575 4.658 -4.681 1.00 1.12 H new ATOM 0 HD11 LEU A 633 5.449 3.682 -3.286 1.00 1.38 H new ATOM 0 HD12 LEU A 633 4.001 3.982 -2.295 1.00 1.38 H new ATOM 0 HD13 LEU A 633 4.382 2.330 -2.836 1.00 1.38 H new ATOM 0 HD21 LEU A 633 5.253 3.186 -5.679 1.00 1.54 H new ATOM 0 HD22 LEU A 633 4.252 1.770 -5.277 1.00 1.54 H new ATOM 0 HD23 LEU A 633 3.655 2.983 -6.435 1.00 1.54 H new ATOM 1605 N SER A 634 1.477 2.298 -7.389 1.00 0.94 N ATOM 1606 CA SER A 634 1.497 1.243 -8.413 1.00 0.99 C ATOM 1607 C SER A 634 2.683 0.286 -8.235 1.00 1.08 C ATOM 1608 O SER A 634 3.813 0.719 -7.994 1.00 1.18 O ATOM 1609 CB SER A 634 1.439 1.881 -9.811 1.00 1.06 C ATOM 1610 OG SER A 634 2.315 1.288 -10.748 1.00 2.20 O ATOM 0 H SER A 634 1.871 3.180 -7.717 1.00 0.94 H new ATOM 0 HA SER A 634 0.611 0.619 -8.294 1.00 0.99 H new ATOM 0 HB2 SER A 634 0.419 1.813 -10.189 1.00 1.06 H new ATOM 0 HB3 SER A 634 1.677 2.941 -9.726 1.00 1.06 H new ATOM 0 HG SER A 634 2.225 1.741 -11.612 1.00 2.20 H new ATOM 1616 N VAL A 635 2.451 -1.023 -8.395 1.00 1.14 N ATOM 1617 CA VAL A 635 3.537 -2.016 -8.376 1.00 1.28 C ATOM 1618 C VAL A 635 4.423 -1.870 -9.595 1.00 1.33 C ATOM 1619 O VAL A 635 5.617 -2.117 -9.492 1.00 1.46 O ATOM 1620 CB VAL A 635 3.084 -3.487 -8.255 1.00 1.41 C ATOM 1621 CG1 VAL A 635 1.960 -3.663 -7.244 1.00 1.83 C ATOM 1622 CG2 VAL A 635 2.716 -4.206 -9.551 1.00 1.88 C ATOM 0 H VAL A 635 1.523 -1.421 -8.539 1.00 1.14 H new ATOM 0 HA VAL A 635 4.088 -1.792 -7.463 1.00 1.28 H new ATOM 0 HB VAL A 635 3.995 -3.973 -7.906 1.00 1.41 H new ATOM 0 HG11 VAL A 635 1.676 -4.714 -7.195 1.00 1.83 H new ATOM 0 HG12 VAL A 635 2.299 -3.332 -6.262 1.00 1.83 H new ATOM 0 HG13 VAL A 635 1.099 -3.069 -7.550 1.00 1.83 H new ATOM 0 HG21 VAL A 635 2.416 -5.230 -9.327 1.00 1.88 H new ATOM 0 HG22 VAL A 635 1.891 -3.684 -10.035 1.00 1.88 H new ATOM 0 HG23 VAL A 635 3.578 -4.219 -10.218 1.00 1.88 H new ATOM 1632 N ASP A 636 3.882 -1.466 -10.743 1.00 1.31 N ATOM 1633 CA ASP A 636 4.686 -1.274 -11.947 1.00 1.46 C ATOM 1634 C ASP A 636 5.670 -0.109 -11.759 1.00 1.37 C ATOM 1635 O ASP A 636 6.849 -0.262 -12.076 1.00 1.63 O ATOM 1636 CB ASP A 636 3.769 -1.084 -13.158 1.00 1.66 C ATOM 1637 CG ASP A 636 3.072 -2.388 -13.575 1.00 2.18 C ATOM 1638 OD1 ASP A 636 3.776 -3.396 -13.842 1.00 3.55 O ATOM 1639 OD2 ASP A 636 1.824 -2.398 -13.714 1.00 2.46 O ATOM 0 H ASP A 636 2.889 -1.265 -10.864 1.00 1.31 H new ATOM 0 HA ASP A 636 5.289 -2.163 -12.131 1.00 1.46 H new ATOM 0 HB2 ASP A 636 3.016 -0.331 -12.926 1.00 1.66 H new ATOM 0 HB3 ASP A 636 4.353 -0.703 -13.996 1.00 1.66 H new ATOM 1644 N ASN A 637 5.231 0.990 -11.132 1.00 1.14 N ATOM 1645 CA ASN A 637 6.075 2.133 -10.763 1.00 1.07 C ATOM 1646 C ASN A 637 7.138 1.748 -9.716 1.00 1.01 C ATOM 1647 O ASN A 637 8.279 2.202 -9.797 1.00 1.13 O ATOM 1648 CB ASN A 637 5.189 3.245 -10.170 1.00 1.27 C ATOM 1649 CG ASN A 637 4.192 3.896 -11.107 1.00 1.72 C ATOM 1650 OD1 ASN A 637 3.312 4.617 -10.662 1.00 2.40 O ATOM 1651 ND2 ASN A 637 4.323 3.779 -12.402 1.00 1.97 N ATOM 0 H ASN A 637 4.255 1.112 -10.861 1.00 1.14 H new ATOM 0 HA ASN A 637 6.585 2.473 -11.664 1.00 1.07 H new ATOM 0 HB2 ASN A 637 4.640 2.828 -9.326 1.00 1.27 H new ATOM 0 HB3 ASN A 637 5.841 4.023 -9.773 1.00 1.27 H new ATOM 0 HD21 ASN A 637 3.695 4.286 -13.026 1.00 1.97 H new ATOM 0 HD22 ASN A 637 5.053 3.181 -12.789 1.00 1.97 H new ATOM 1658 N PHE A 638 6.771 0.903 -8.744 1.00 0.92 N ATOM 1659 CA PHE A 638 7.656 0.302 -7.736 1.00 0.92 C ATOM 1660 C PHE A 638 8.748 -0.547 -8.416 1.00 0.99 C ATOM 1661 O PHE A 638 9.943 -0.336 -8.212 1.00 0.92 O ATOM 1662 CB PHE A 638 6.802 -0.499 -6.749 1.00 1.01 C ATOM 1663 CG PHE A 638 7.412 -0.678 -5.370 1.00 1.09 C ATOM 1664 CD1 PHE A 638 8.696 -1.230 -5.219 1.00 1.80 C ATOM 1665 CD2 PHE A 638 6.665 -0.335 -4.226 1.00 2.60 C ATOM 1666 CE1 PHE A 638 9.234 -1.432 -3.935 1.00 1.79 C ATOM 1667 CE2 PHE A 638 7.195 -0.554 -2.942 1.00 2.88 C ATOM 1668 CZ PHE A 638 8.482 -1.099 -2.795 1.00 1.64 C ATOM 0 H PHE A 638 5.802 0.605 -8.633 1.00 0.92 H new ATOM 0 HA PHE A 638 8.181 1.075 -7.175 1.00 0.92 H new ATOM 0 HB2 PHE A 638 5.837 -0.003 -6.641 1.00 1.01 H new ATOM 0 HB3 PHE A 638 6.609 -1.484 -7.175 1.00 1.01 H new ATOM 0 HD1 PHE A 638 9.272 -1.500 -6.092 1.00 1.80 H new ATOM 0 HD2 PHE A 638 5.682 0.098 -4.335 1.00 2.60 H new ATOM 0 HE1 PHE A 638 10.226 -1.844 -3.825 1.00 1.79 H new ATOM 0 HE2 PHE A 638 6.612 -0.303 -2.068 1.00 2.88 H new ATOM 0 HZ PHE A 638 8.892 -1.261 -1.809 1.00 1.64 H new ATOM 1678 N ASN A 639 8.347 -1.464 -9.297 1.00 1.15 N ATOM 1679 CA ASN A 639 9.236 -2.306 -10.095 1.00 1.27 C ATOM 1680 C ASN A 639 10.162 -1.472 -11.015 1.00 1.28 C ATOM 1681 O ASN A 639 11.311 -1.851 -11.240 1.00 1.40 O ATOM 1682 CB ASN A 639 8.356 -3.322 -10.855 1.00 1.36 C ATOM 1683 CG ASN A 639 7.952 -4.526 -10.021 1.00 1.67 C ATOM 1684 OD1 ASN A 639 8.763 -5.413 -9.797 1.00 2.11 O ATOM 1685 ND2 ASN A 639 6.728 -4.636 -9.548 1.00 1.72 N ATOM 0 H ASN A 639 7.360 -1.646 -9.480 1.00 1.15 H new ATOM 0 HA ASN A 639 9.927 -2.850 -9.451 1.00 1.27 H new ATOM 0 HB2 ASN A 639 7.456 -2.817 -11.208 1.00 1.36 H new ATOM 0 HB3 ASN A 639 8.895 -3.667 -11.737 1.00 1.36 H new ATOM 0 HD21 ASN A 639 6.464 -5.455 -9.001 1.00 1.72 H new ATOM 0 HD22 ASN A 639 6.043 -3.902 -9.729 1.00 1.72 H new ATOM 1692 N GLU A 640 9.719 -0.303 -11.483 1.00 1.23 N ATOM 1693 CA GLU A 640 10.456 0.620 -12.338 1.00 1.29 C ATOM 1694 C GLU A 640 11.480 1.499 -11.595 1.00 1.12 C ATOM 1695 O GLU A 640 12.463 1.937 -12.196 1.00 1.12 O ATOM 1696 CB GLU A 640 9.356 1.437 -12.979 1.00 1.54 C ATOM 1697 CG GLU A 640 9.746 2.413 -14.049 1.00 1.51 C ATOM 1698 CD GLU A 640 10.365 1.770 -15.301 1.00 2.57 C ATOM 1699 OE1 GLU A 640 9.617 1.249 -16.161 1.00 3.27 O ATOM 1700 OE2 GLU A 640 11.615 1.786 -15.454 1.00 3.59 O ATOM 0 H GLU A 640 8.785 0.041 -11.261 1.00 1.23 H new ATOM 0 HA GLU A 640 11.086 0.090 -13.053 1.00 1.29 H new ATOM 0 HB2 GLU A 640 8.629 0.745 -13.405 1.00 1.54 H new ATOM 0 HB3 GLU A 640 8.846 1.990 -12.190 1.00 1.54 H new ATOM 0 HG2 GLU A 640 8.864 2.980 -14.345 1.00 1.51 H new ATOM 0 HG3 GLU A 640 10.458 3.125 -13.632 1.00 1.51 H new ATOM 1707 N VAL A 641 11.286 1.747 -10.294 1.00 1.09 N ATOM 1708 CA VAL A 641 12.276 2.419 -9.427 1.00 1.02 C ATOM 1709 C VAL A 641 13.258 1.430 -8.787 1.00 1.04 C ATOM 1710 O VAL A 641 14.406 1.779 -8.525 1.00 1.06 O ATOM 1711 CB VAL A 641 11.582 3.346 -8.414 1.00 0.88 C ATOM 1712 CG1 VAL A 641 10.637 2.659 -7.435 1.00 0.85 C ATOM 1713 CG2 VAL A 641 12.573 4.172 -7.588 1.00 0.76 C ATOM 0 H VAL A 641 10.430 1.486 -9.804 1.00 1.09 H new ATOM 0 HA VAL A 641 12.895 3.059 -10.056 1.00 1.02 H new ATOM 0 HB VAL A 641 10.987 3.986 -9.065 1.00 0.88 H new ATOM 0 HG11 VAL A 641 10.202 3.402 -6.767 1.00 0.85 H new ATOM 0 HG12 VAL A 641 9.842 2.158 -7.987 1.00 0.85 H new ATOM 0 HG13 VAL A 641 11.190 1.925 -6.850 1.00 0.85 H new ATOM 0 HG21 VAL A 641 12.026 4.807 -6.891 1.00 0.76 H new ATOM 0 HG22 VAL A 641 13.229 3.503 -7.031 1.00 0.76 H new ATOM 0 HG23 VAL A 641 13.171 4.795 -8.253 1.00 0.76 H new ATOM 1723 N LEU A 642 12.858 0.169 -8.610 1.00 1.06 N ATOM 1724 CA LEU A 642 13.734 -0.897 -8.100 1.00 1.15 C ATOM 1725 C LEU A 642 14.992 -1.126 -8.958 1.00 1.31 C ATOM 1726 O LEU A 642 16.086 -1.250 -8.415 1.00 1.28 O ATOM 1727 CB LEU A 642 12.921 -2.196 -7.931 1.00 1.30 C ATOM 1728 CG LEU A 642 12.128 -2.268 -6.615 1.00 1.53 C ATOM 1729 CD1 LEU A 642 11.229 -3.506 -6.603 1.00 1.85 C ATOM 1730 CD2 LEU A 642 13.064 -2.383 -5.417 1.00 2.31 C ATOM 0 H LEU A 642 11.911 -0.147 -8.817 1.00 1.06 H new ATOM 0 HA LEU A 642 14.108 -0.571 -7.129 1.00 1.15 H new ATOM 0 HB2 LEU A 642 12.228 -2.291 -8.767 1.00 1.30 H new ATOM 0 HB3 LEU A 642 13.600 -3.047 -7.982 1.00 1.30 H new ATOM 0 HG LEU A 642 11.537 -1.355 -6.547 1.00 1.53 H new ATOM 0 HD11 LEU A 642 10.674 -3.544 -5.666 1.00 1.85 H new ATOM 0 HD12 LEU A 642 10.529 -3.456 -7.437 1.00 1.85 H new ATOM 0 HD13 LEU A 642 11.842 -4.402 -6.698 1.00 1.85 H new ATOM 0 HD21 LEU A 642 12.477 -2.432 -4.500 1.00 2.31 H new ATOM 0 HD22 LEU A 642 13.666 -3.287 -5.511 1.00 2.31 H new ATOM 0 HD23 LEU A 642 13.719 -1.512 -5.382 1.00 2.31 H new ATOM 1742 N GLU A 643 14.873 -1.112 -10.285 1.00 1.55 N ATOM 1743 CA GLU A 643 16.011 -1.179 -11.222 1.00 1.66 C ATOM 1744 C GLU A 643 16.976 0.032 -11.190 1.00 1.46 C ATOM 1745 O GLU A 643 18.026 -0.016 -11.837 1.00 1.42 O ATOM 1746 CB GLU A 643 15.473 -1.444 -12.636 1.00 2.07 C ATOM 1747 CG GLU A 643 14.943 -2.877 -12.785 1.00 3.01 C ATOM 1748 CD GLU A 643 15.945 -3.817 -13.484 1.00 3.60 C ATOM 1749 OE1 GLU A 643 17.056 -4.036 -12.946 1.00 4.54 O ATOM 1750 OE2 GLU A 643 15.641 -4.379 -14.569 1.00 3.87 O ATOM 0 H GLU A 643 13.970 -1.053 -10.755 1.00 1.55 H new ATOM 0 HA GLU A 643 16.639 -2.005 -10.888 1.00 1.66 H new ATOM 0 HB2 GLU A 643 14.675 -0.736 -12.860 1.00 2.07 H new ATOM 0 HB3 GLU A 643 16.265 -1.272 -13.365 1.00 2.07 H new ATOM 0 HG2 GLU A 643 14.706 -3.276 -11.799 1.00 3.01 H new ATOM 0 HG3 GLU A 643 14.013 -2.858 -13.353 1.00 3.01 H new ATOM 1757 N GLU A 644 16.695 1.121 -10.459 1.00 1.36 N ATOM 1758 CA GLU A 644 17.706 2.147 -10.159 1.00 1.36 C ATOM 1759 C GLU A 644 18.653 1.721 -9.015 1.00 1.33 C ATOM 1760 O GLU A 644 19.791 2.192 -8.930 1.00 1.44 O ATOM 1761 CB GLU A 644 16.999 3.453 -9.784 1.00 1.28 C ATOM 1762 CG GLU A 644 16.166 4.104 -10.884 1.00 1.33 C ATOM 1763 CD GLU A 644 16.572 5.562 -11.117 1.00 1.54 C ATOM 1764 OE1 GLU A 644 17.639 5.802 -11.735 1.00 1.72 O ATOM 1765 OE2 GLU A 644 15.842 6.478 -10.667 1.00 2.63 O ATOM 0 H GLU A 644 15.775 1.314 -10.064 1.00 1.36 H new ATOM 0 HA GLU A 644 18.317 2.284 -11.051 1.00 1.36 H new ATOM 0 HB2 GLU A 644 16.349 3.259 -8.931 1.00 1.28 H new ATOM 0 HB3 GLU A 644 17.752 4.169 -9.455 1.00 1.28 H new ATOM 0 HG2 GLU A 644 16.284 3.541 -11.810 1.00 1.33 H new ATOM 0 HG3 GLU A 644 15.111 4.059 -10.616 1.00 1.33 H new ATOM 1772 N TYR A 645 18.190 0.814 -8.151 1.00 1.25 N ATOM 1773 CA TYR A 645 18.860 0.335 -6.934 1.00 1.22 C ATOM 1774 C TYR A 645 18.816 -1.206 -6.899 1.00 1.39 C ATOM 1775 O TYR A 645 18.136 -1.790 -6.051 1.00 1.39 O ATOM 1776 CB TYR A 645 18.205 0.985 -5.698 1.00 1.01 C ATOM 1777 CG TYR A 645 18.157 2.500 -5.763 1.00 0.90 C ATOM 1778 CD1 TYR A 645 17.082 3.127 -6.419 1.00 1.91 C ATOM 1779 CD2 TYR A 645 19.208 3.278 -5.243 1.00 2.10 C ATOM 1780 CE1 TYR A 645 17.083 4.517 -6.629 1.00 1.91 C ATOM 1781 CE2 TYR A 645 19.197 4.675 -5.419 1.00 2.15 C ATOM 1782 CZ TYR A 645 18.153 5.297 -6.140 1.00 1.02 C ATOM 1783 OH TYR A 645 18.217 6.631 -6.399 1.00 1.24 O ATOM 0 H TYR A 645 17.284 0.366 -8.288 1.00 1.25 H new ATOM 0 HA TYR A 645 19.910 0.626 -6.929 1.00 1.22 H new ATOM 0 HB2 TYR A 645 17.190 0.602 -5.591 1.00 1.01 H new ATOM 0 HB3 TYR A 645 18.755 0.685 -4.806 1.00 1.01 H new ATOM 0 HD1 TYR A 645 16.248 2.535 -6.765 1.00 1.91 H new ATOM 0 HD2 TYR A 645 20.020 2.805 -4.711 1.00 2.10 H new ATOM 0 HE1 TYR A 645 16.269 4.986 -7.162 1.00 1.91 H new ATOM 0 HE2 TYR A 645 19.992 5.275 -5.000 1.00 2.15 H new ATOM 0 HH TYR A 645 19.021 7.007 -5.983 1.00 1.24 H new ATOM 1793 N PRO A 646 19.474 -1.901 -7.849 1.00 1.63 N ATOM 1794 CA PRO A 646 19.261 -3.325 -8.119 1.00 1.88 C ATOM 1795 C PRO A 646 19.471 -4.283 -6.932 1.00 1.92 C ATOM 1796 O PRO A 646 18.888 -5.373 -6.966 1.00 2.09 O ATOM 1797 CB PRO A 646 20.186 -3.664 -9.295 1.00 2.15 C ATOM 1798 CG PRO A 646 21.232 -2.551 -9.277 1.00 2.09 C ATOM 1799 CD PRO A 646 20.402 -1.355 -8.827 1.00 1.76 C ATOM 0 HA PRO A 646 18.206 -3.479 -8.344 1.00 1.88 H new ATOM 0 HB2 PRO A 646 20.645 -4.645 -9.172 1.00 2.15 H new ATOM 0 HB3 PRO A 646 19.641 -3.684 -10.239 1.00 2.15 H new ATOM 0 HG2 PRO A 646 22.047 -2.767 -8.586 1.00 2.09 H new ATOM 0 HG3 PRO A 646 21.679 -2.393 -10.259 1.00 2.09 H new ATOM 0 HD2 PRO A 646 21.030 -0.579 -8.388 1.00 1.76 H new ATOM 0 HD3 PRO A 646 19.873 -0.901 -9.665 1.00 1.76 H new ATOM 1807 N MET A 647 20.196 -3.918 -5.864 1.00 1.84 N ATOM 1808 CA MET A 647 20.246 -4.749 -4.650 1.00 1.91 C ATOM 1809 C MET A 647 18.863 -4.806 -3.966 1.00 1.76 C ATOM 1810 O MET A 647 18.471 -5.846 -3.444 1.00 1.88 O ATOM 1811 CB MET A 647 21.356 -4.267 -3.691 1.00 1.97 C ATOM 1812 CG MET A 647 20.836 -3.101 -2.857 1.00 1.70 C ATOM 1813 SD MET A 647 21.939 -2.202 -1.758 1.00 1.58 S ATOM 1814 CE MET A 647 20.572 -1.253 -1.045 1.00 1.27 C ATOM 0 H MET A 647 20.750 -3.063 -5.815 1.00 1.84 H new ATOM 0 HA MET A 647 20.502 -5.768 -4.940 1.00 1.91 H new ATOM 0 HB2 MET A 647 21.668 -5.083 -3.040 1.00 1.97 H new ATOM 0 HB3 MET A 647 22.234 -3.959 -4.259 1.00 1.97 H new ATOM 0 HG2 MET A 647 20.410 -2.375 -3.549 1.00 1.70 H new ATOM 0 HG3 MET A 647 20.015 -3.481 -2.249 1.00 1.70 H new ATOM 0 HE1 MET A 647 20.961 -0.557 -0.302 1.00 1.27 H new ATOM 0 HE2 MET A 647 20.065 -0.696 -1.833 1.00 1.27 H new ATOM 0 HE3 MET A 647 19.866 -1.934 -0.570 1.00 1.27 H new ATOM 1824 N MET A 648 18.097 -3.705 -4.005 1.00 1.54 N ATOM 1825 CA MET A 648 16.739 -3.623 -3.462 1.00 1.45 C ATOM 1826 C MET A 648 15.772 -4.437 -4.319 1.00 1.58 C ATOM 1827 O MET A 648 14.859 -5.056 -3.781 1.00 1.66 O ATOM 1828 CB MET A 648 16.258 -2.163 -3.360 1.00 1.26 C ATOM 1829 CG MET A 648 17.014 -1.313 -2.335 1.00 1.09 C ATOM 1830 SD MET A 648 16.996 -1.901 -0.614 1.00 1.43 S ATOM 1831 CE MET A 648 15.218 -2.057 -0.289 1.00 1.88 C ATOM 0 H MET A 648 18.414 -2.831 -4.424 1.00 1.54 H new ATOM 0 HA MET A 648 16.760 -4.040 -2.455 1.00 1.45 H new ATOM 0 HB2 MET A 648 16.350 -1.695 -4.340 1.00 1.26 H new ATOM 0 HB3 MET A 648 15.198 -2.160 -3.104 1.00 1.26 H new ATOM 0 HG2 MET A 648 18.052 -1.235 -2.657 1.00 1.09 H new ATOM 0 HG3 MET A 648 16.598 -0.306 -2.355 1.00 1.09 H new ATOM 0 HE1 MET A 648 15.060 -2.288 0.764 1.00 1.88 H new ATOM 0 HE2 MET A 648 14.720 -1.119 -0.534 1.00 1.88 H new ATOM 0 HE3 MET A 648 14.805 -2.858 -0.902 1.00 1.88 H new ATOM 1841 N ARG A 649 15.998 -4.523 -5.639 1.00 1.67 N ATOM 1842 CA ARG A 649 15.249 -5.449 -6.504 1.00 1.89 C ATOM 1843 C ARG A 649 15.458 -6.887 -6.018 1.00 2.03 C ATOM 1844 O ARG A 649 14.483 -7.581 -5.744 1.00 2.16 O ATOM 1845 CB ARG A 649 15.610 -5.198 -7.983 1.00 2.01 C ATOM 1846 CG ARG A 649 14.602 -5.778 -8.991 1.00 2.46 C ATOM 1847 CD ARG A 649 14.830 -7.270 -9.252 1.00 2.45 C ATOM 1848 NE ARG A 649 13.887 -7.812 -10.246 1.00 3.43 N ATOM 1849 CZ ARG A 649 14.044 -8.934 -10.924 1.00 3.89 C ATOM 1850 NH1 ARG A 649 15.098 -9.684 -10.793 1.00 3.86 N ATOM 1851 NH2 ARG A 649 13.139 -9.352 -11.752 1.00 5.08 N ATOM 0 H ARG A 649 16.694 -3.962 -6.131 1.00 1.67 H new ATOM 0 HA ARG A 649 14.176 -5.270 -6.438 1.00 1.89 H new ATOM 0 HB2 ARG A 649 15.692 -4.124 -8.147 1.00 2.01 H new ATOM 0 HB3 ARG A 649 16.592 -5.627 -8.182 1.00 2.01 H new ATOM 0 HG2 ARG A 649 13.590 -5.628 -8.616 1.00 2.46 H new ATOM 0 HG3 ARG A 649 14.677 -5.232 -9.931 1.00 2.46 H new ATOM 0 HD2 ARG A 649 15.851 -7.424 -9.601 1.00 2.45 H new ATOM 0 HD3 ARG A 649 14.726 -7.821 -8.317 1.00 2.45 H new ATOM 0 HE ARG A 649 13.039 -7.274 -10.426 1.00 3.43 H new ATOM 0 HH11 ARG A 649 15.840 -9.412 -10.148 1.00 3.86 H new ATOM 0 HH12 ARG A 649 15.182 -10.544 -11.335 1.00 3.86 H new ATOM 0 HH21 ARG A 649 12.285 -8.811 -11.890 1.00 5.08 H new ATOM 0 HH22 ARG A 649 13.280 -10.222 -12.266 1.00 5.08 H new ATOM 1865 N ARG A 650 16.707 -7.304 -5.778 1.00 2.06 N ATOM 1866 CA ARG A 650 17.018 -8.629 -5.208 1.00 2.22 C ATOM 1867 C ARG A 650 16.404 -8.847 -3.818 1.00 2.22 C ATOM 1868 O ARG A 650 15.893 -9.922 -3.516 1.00 2.39 O ATOM 1869 CB ARG A 650 18.542 -8.827 -5.203 1.00 2.29 C ATOM 1870 CG ARG A 650 18.898 -10.285 -4.898 1.00 3.26 C ATOM 1871 CD ARG A 650 19.132 -10.626 -3.421 1.00 4.09 C ATOM 1872 NE ARG A 650 19.188 -12.089 -3.244 1.00 5.45 N ATOM 1873 CZ ARG A 650 19.231 -12.747 -2.100 1.00 6.59 C ATOM 1874 NH1 ARG A 650 19.228 -12.140 -0.949 1.00 6.78 N ATOM 1875 NH2 ARG A 650 19.244 -14.048 -2.096 1.00 7.97 N ATOM 0 H ARG A 650 17.532 -6.737 -5.972 1.00 2.06 H new ATOM 0 HA ARG A 650 16.557 -9.388 -5.840 1.00 2.22 H new ATOM 0 HB2 ARG A 650 18.954 -8.542 -6.171 1.00 2.29 H new ATOM 0 HB3 ARG A 650 18.996 -8.173 -4.458 1.00 2.29 H new ATOM 0 HG2 ARG A 650 18.096 -10.920 -5.274 1.00 3.26 H new ATOM 0 HG3 ARG A 650 19.798 -10.543 -5.457 1.00 3.26 H new ATOM 0 HD2 ARG A 650 20.063 -10.174 -3.078 1.00 4.09 H new ATOM 0 HD3 ARG A 650 18.331 -10.208 -2.811 1.00 4.09 H new ATOM 0 HE ARG A 650 19.194 -12.652 -4.095 1.00 5.45 H new ATOM 0 HH11 ARG A 650 19.191 -11.121 -0.910 1.00 6.78 H new ATOM 0 HH12 ARG A 650 19.262 -12.683 -0.086 1.00 6.78 H new ATOM 0 HH21 ARG A 650 19.221 -14.561 -2.977 1.00 7.97 H new ATOM 0 HH22 ARG A 650 19.277 -14.555 -1.212 1.00 7.97 H new ATOM 1889 N ALA A 651 16.418 -7.804 -2.999 1.00 2.04 N ATOM 1890 CA ALA A 651 15.841 -7.759 -1.647 1.00 2.03 C ATOM 1891 C ALA A 651 14.328 -8.071 -1.612 1.00 2.12 C ATOM 1892 O ALA A 651 13.821 -8.523 -0.582 1.00 2.25 O ATOM 1893 CB ALA A 651 16.116 -6.381 -1.020 1.00 1.84 C ATOM 0 H ALA A 651 16.851 -6.920 -3.265 1.00 2.04 H new ATOM 0 HA ALA A 651 16.325 -8.545 -1.067 1.00 2.03 H new ATOM 0 HB1 ALA A 651 15.689 -6.346 -0.018 1.00 1.84 H new ATOM 0 HB2 ALA A 651 17.192 -6.216 -0.962 1.00 1.84 H new ATOM 0 HB3 ALA A 651 15.662 -5.604 -1.635 1.00 1.84 H new ATOM 1899 N PHE A 652 13.615 -7.881 -2.726 1.00 2.07 N ATOM 1900 CA PHE A 652 12.248 -8.365 -2.942 1.00 2.16 C ATOM 1901 C PHE A 652 12.197 -9.754 -3.609 1.00 2.35 C ATOM 1902 O PHE A 652 11.438 -10.615 -3.164 1.00 2.54 O ATOM 1903 CB PHE A 652 11.483 -7.305 -3.745 1.00 2.02 C ATOM 1904 CG PHE A 652 10.954 -6.170 -2.890 1.00 1.87 C ATOM 1905 CD1 PHE A 652 9.815 -6.366 -2.088 1.00 3.21 C ATOM 1906 CD2 PHE A 652 11.609 -4.925 -2.879 1.00 1.88 C ATOM 1907 CE1 PHE A 652 9.333 -5.319 -1.282 1.00 3.11 C ATOM 1908 CE2 PHE A 652 11.142 -3.886 -2.057 1.00 1.93 C ATOM 1909 CZ PHE A 652 10.001 -4.081 -1.262 1.00 1.75 C ATOM 0 H PHE A 652 13.985 -7.370 -3.528 1.00 2.07 H new ATOM 0 HA PHE A 652 11.768 -8.509 -1.974 1.00 2.16 H new ATOM 0 HB2 PHE A 652 12.140 -6.896 -4.513 1.00 2.02 H new ATOM 0 HB3 PHE A 652 10.649 -7.782 -4.260 1.00 2.02 H new ATOM 0 HD1 PHE A 652 9.310 -7.321 -2.091 1.00 3.21 H new ATOM 0 HD2 PHE A 652 12.475 -4.767 -3.505 1.00 1.88 H new ATOM 0 HE1 PHE A 652 8.450 -5.465 -0.678 1.00 3.11 H new ATOM 0 HE2 PHE A 652 11.660 -2.938 -2.036 1.00 1.93 H new ATOM 0 HZ PHE A 652 9.636 -3.281 -0.635 1.00 1.75 H new ATOM 1919 N GLU A 653 13.048 -10.035 -4.601 1.00 2.37 N ATOM 1920 CA GLU A 653 13.156 -11.359 -5.254 1.00 2.53 C ATOM 1921 C GLU A 653 13.483 -12.517 -4.293 1.00 2.71 C ATOM 1922 O GLU A 653 13.239 -13.681 -4.619 1.00 2.73 O ATOM 1923 CB GLU A 653 14.269 -11.335 -6.313 1.00 2.60 C ATOM 1924 CG GLU A 653 13.977 -10.426 -7.509 1.00 2.51 C ATOM 1925 CD GLU A 653 12.840 -10.972 -8.382 1.00 3.21 C ATOM 1926 OE1 GLU A 653 12.899 -12.171 -8.757 1.00 3.60 O ATOM 1927 OE2 GLU A 653 11.897 -10.217 -8.712 1.00 4.12 O ATOM 0 H GLU A 653 13.694 -9.344 -4.984 1.00 2.37 H new ATOM 0 HA GLU A 653 12.170 -11.539 -5.683 1.00 2.53 H new ATOM 0 HB2 GLU A 653 15.197 -11.010 -5.842 1.00 2.60 H new ATOM 0 HB3 GLU A 653 14.434 -12.350 -6.674 1.00 2.60 H new ATOM 0 HG2 GLU A 653 13.714 -9.430 -7.152 1.00 2.51 H new ATOM 0 HG3 GLU A 653 14.879 -10.320 -8.112 1.00 2.51 H new ATOM 1934 N THR A 654 14.055 -12.213 -3.125 1.00 2.84 N ATOM 1935 CA THR A 654 14.456 -13.193 -2.105 1.00 3.07 C ATOM 1936 C THR A 654 13.338 -13.536 -1.121 1.00 3.17 C ATOM 1937 O THR A 654 13.235 -14.670 -0.651 1.00 3.46 O ATOM 1938 CB THR A 654 15.721 -12.707 -1.390 1.00 3.00 C ATOM 1939 OG1 THR A 654 16.251 -13.754 -0.613 1.00 3.29 O ATOM 1940 CG2 THR A 654 15.461 -11.494 -0.502 1.00 2.79 C ATOM 0 H THR A 654 14.259 -11.251 -2.852 1.00 2.84 H new ATOM 0 HA THR A 654 14.676 -14.129 -2.619 1.00 3.07 H new ATOM 0 HB THR A 654 16.433 -12.401 -2.157 1.00 3.00 H new ATOM 0 HG1 THR A 654 17.061 -13.445 -0.156 1.00 3.29 H new ATOM 0 HG21 THR A 654 16.390 -11.191 -0.019 1.00 2.79 H new ATOM 0 HG22 THR A 654 15.083 -10.672 -1.110 1.00 2.79 H new ATOM 0 HG23 THR A 654 14.724 -11.751 0.259 1.00 2.79 H new ATOM 1948 N VAL A 655 12.454 -12.574 -0.846 1.00 3.02 N ATOM 1949 CA VAL A 655 11.288 -12.746 0.033 1.00 3.14 C ATOM 1950 C VAL A 655 10.090 -13.265 -0.751 1.00 3.26 C ATOM 1951 O VAL A 655 9.354 -14.107 -0.254 1.00 3.45 O ATOM 1952 CB VAL A 655 10.989 -11.448 0.800 1.00 3.05 C ATOM 1953 CG1 VAL A 655 10.762 -10.248 -0.109 1.00 2.86 C ATOM 1954 CG2 VAL A 655 9.854 -11.618 1.823 1.00 3.26 C ATOM 0 H VAL A 655 12.528 -11.634 -1.234 1.00 3.02 H new ATOM 0 HA VAL A 655 11.518 -13.504 0.782 1.00 3.14 H new ATOM 0 HB VAL A 655 11.896 -11.230 1.364 1.00 3.05 H new ATOM 0 HG11 VAL A 655 10.556 -9.366 0.497 1.00 2.86 H new ATOM 0 HG12 VAL A 655 11.654 -10.074 -0.712 1.00 2.86 H new ATOM 0 HG13 VAL A 655 9.913 -10.444 -0.765 1.00 2.86 H new ATOM 0 HG21 VAL A 655 9.683 -10.672 2.337 1.00 3.26 H new ATOM 0 HG22 VAL A 655 8.942 -11.921 1.308 1.00 3.26 H new ATOM 0 HG23 VAL A 655 10.131 -12.381 2.550 1.00 3.26 H new ATOM 1964 N ALA A 656 9.933 -12.863 -2.011 1.00 3.18 N ATOM 1965 CA ALA A 656 8.823 -13.287 -2.873 1.00 3.36 C ATOM 1966 C ALA A 656 8.723 -14.816 -3.099 1.00 3.64 C ATOM 1967 O ALA A 656 7.636 -15.310 -3.395 1.00 3.87 O ATOM 1968 CB ALA A 656 8.934 -12.529 -4.199 1.00 3.29 C ATOM 0 H ALA A 656 10.581 -12.224 -2.472 1.00 3.18 H new ATOM 0 HA ALA A 656 7.895 -13.040 -2.357 1.00 3.36 H new ATOM 0 HB1 ALA A 656 8.119 -12.827 -4.858 1.00 3.29 H new ATOM 0 HB2 ALA A 656 8.875 -11.457 -4.011 1.00 3.29 H new ATOM 0 HB3 ALA A 656 9.887 -12.762 -4.673 1.00 3.29 H new ATOM 1974 N ILE A 657 9.820 -15.566 -2.921 1.00 3.66 N ATOM 1975 CA ILE A 657 9.849 -17.042 -2.955 1.00 3.96 C ATOM 1976 C ILE A 657 9.738 -17.690 -1.556 1.00 4.05 C ATOM 1977 O ILE A 657 9.326 -18.846 -1.429 1.00 4.41 O ATOM 1978 CB ILE A 657 11.090 -17.509 -3.752 1.00 4.00 C ATOM 1979 CG1 ILE A 657 11.001 -19.016 -4.074 1.00 4.68 C ATOM 1980 CG2 ILE A 657 12.411 -17.152 -3.041 1.00 4.02 C ATOM 1981 CD1 ILE A 657 11.947 -19.459 -5.196 1.00 4.77 C ATOM 0 H ILE A 657 10.737 -15.156 -2.745 1.00 3.66 H new ATOM 0 HA ILE A 657 8.956 -17.392 -3.474 1.00 3.96 H new ATOM 0 HB ILE A 657 11.094 -16.964 -4.696 1.00 4.00 H new ATOM 0 HG12 ILE A 657 11.227 -19.586 -3.173 1.00 4.68 H new ATOM 0 HG13 ILE A 657 9.977 -19.259 -4.356 1.00 4.68 H new ATOM 0 HG21 ILE A 657 13.252 -17.501 -3.640 1.00 4.02 H new ATOM 0 HG22 ILE A 657 12.477 -16.071 -2.917 1.00 4.02 H new ATOM 0 HG23 ILE A 657 12.439 -17.632 -2.063 1.00 4.02 H new ATOM 0 HD11 ILE A 657 11.831 -20.529 -5.369 1.00 4.77 H new ATOM 0 HD12 ILE A 657 11.707 -18.916 -6.110 1.00 4.77 H new ATOM 0 HD13 ILE A 657 12.977 -19.248 -4.908 1.00 4.77 H new ATOM 1993 N ASP A 658 10.051 -16.954 -0.485 1.00 3.84 N ATOM 1994 CA ASP A 658 10.031 -17.450 0.900 1.00 4.03 C ATOM 1995 C ASP A 658 8.716 -17.152 1.642 1.00 4.17 C ATOM 1996 O ASP A 658 8.238 -17.960 2.438 1.00 4.48 O ATOM 1997 CB ASP A 658 11.232 -16.878 1.657 1.00 3.93 C ATOM 1998 CG ASP A 658 11.277 -17.427 3.081 1.00 4.52 C ATOM 1999 OD1 ASP A 658 11.295 -18.672 3.236 1.00 4.70 O ATOM 2000 OD2 ASP A 658 11.253 -16.633 4.050 1.00 5.36 O ATOM 0 H ASP A 658 10.332 -15.976 -0.555 1.00 3.84 H new ATOM 0 HA ASP A 658 10.099 -18.537 0.858 1.00 4.03 H new ATOM 0 HB2 ASP A 658 12.154 -17.132 1.134 1.00 3.93 H new ATOM 0 HB3 ASP A 658 11.169 -15.790 1.682 1.00 3.93 H new ATOM 2005 N ARG A 659 8.068 -16.035 1.314 1.00 4.00 N ATOM 2006 CA ARG A 659 6.709 -15.651 1.706 1.00 4.13 C ATOM 2007 C ARG A 659 5.622 -16.463 0.960 1.00 4.25 C ATOM 2008 O ARG A 659 4.425 -16.246 1.162 1.00 4.51 O ATOM 2009 CB ARG A 659 6.649 -14.120 1.498 1.00 3.93 C ATOM 2010 CG ARG A 659 6.089 -13.689 0.133 1.00 3.75 C ATOM 2011 CD ARG A 659 6.184 -12.180 -0.112 1.00 3.57 C ATOM 2012 NE ARG A 659 5.351 -11.409 0.830 1.00 4.20 N ATOM 2013 CZ ARG A 659 4.087 -11.065 0.656 1.00 5.00 C ATOM 2014 NH1 ARG A 659 3.393 -11.463 -0.367 1.00 5.68 N ATOM 2015 NH2 ARG A 659 3.477 -10.304 1.512 1.00 5.75 N ATOM 0 H ARG A 659 8.507 -15.325 0.728 1.00 4.00 H new ATOM 0 HA ARG A 659 6.490 -15.891 2.746 1.00 4.13 H new ATOM 0 HB2 ARG A 659 6.034 -13.682 2.285 1.00 3.93 H new ATOM 0 HB3 ARG A 659 7.652 -13.710 1.612 1.00 3.93 H new ATOM 0 HG2 ARG A 659 6.630 -14.213 -0.655 1.00 3.75 H new ATOM 0 HG3 ARG A 659 5.046 -13.996 0.063 1.00 3.75 H new ATOM 0 HD2 ARG A 659 7.223 -11.863 -0.019 1.00 3.57 H new ATOM 0 HD3 ARG A 659 5.874 -11.959 -1.133 1.00 3.57 H new ATOM 0 HE ARG A 659 5.793 -11.113 1.700 1.00 4.20 H new ATOM 0 HH11 ARG A 659 3.822 -12.063 -1.072 1.00 5.68 H new ATOM 0 HH12 ARG A 659 2.419 -11.176 -0.466 1.00 5.68 H new ATOM 0 HH21 ARG A 659 3.974 -9.962 2.335 1.00 5.75 H new ATOM 0 HH22 ARG A 659 2.501 -10.048 1.362 1.00 5.75 H new ATOM 2029 N LEU A 660 6.056 -17.363 0.068 1.00 4.16 N ATOM 2030 CA LEU A 660 5.255 -18.247 -0.784 1.00 4.28 C ATOM 2031 C LEU A 660 5.203 -19.692 -0.254 1.00 4.54 C ATOM 2032 O LEU A 660 4.143 -20.158 0.167 1.00 5.07 O ATOM 2033 CB LEU A 660 5.801 -18.125 -2.222 1.00 4.18 C ATOM 2034 CG LEU A 660 5.084 -18.969 -3.290 1.00 4.42 C ATOM 2035 CD1 LEU A 660 3.620 -18.567 -3.449 1.00 5.17 C ATOM 2036 CD2 LEU A 660 5.784 -18.773 -4.634 1.00 4.52 C ATOM 0 H LEU A 660 7.055 -17.501 -0.088 1.00 4.16 H new ATOM 0 HA LEU A 660 4.210 -17.938 -0.776 1.00 4.28 H new ATOM 0 HB2 LEU A 660 5.751 -17.078 -2.521 1.00 4.18 H new ATOM 0 HB3 LEU A 660 6.855 -18.404 -2.214 1.00 4.18 H new ATOM 0 HG LEU A 660 5.123 -20.010 -2.969 1.00 4.42 H new ATOM 0 HD11 LEU A 660 3.153 -19.189 -4.213 1.00 5.17 H new ATOM 0 HD12 LEU A 660 3.100 -18.705 -2.501 1.00 5.17 H new ATOM 0 HD13 LEU A 660 3.560 -17.520 -3.747 1.00 5.17 H new ATOM 0 HD21 LEU A 660 5.281 -19.368 -5.396 1.00 4.52 H new ATOM 0 HD22 LEU A 660 5.747 -17.720 -4.913 1.00 4.52 H new ATOM 0 HD23 LEU A 660 6.823 -19.091 -4.553 1.00 4.52 H new ATOM 2048 N ASP A 661 6.335 -20.400 -0.240 1.00 4.43 N ATOM 2049 CA ASP A 661 6.455 -21.782 0.261 1.00 4.95 C ATOM 2050 C ASP A 661 7.085 -21.840 1.664 1.00 5.72 C ATOM 2051 O ASP A 661 7.772 -20.910 2.093 1.00 6.17 O ATOM 2052 CB ASP A 661 7.279 -22.631 -0.718 1.00 5.16 C ATOM 2053 CG ASP A 661 6.584 -22.906 -2.052 1.00 6.05 C ATOM 2054 OD1 ASP A 661 5.391 -23.302 -2.058 1.00 6.75 O ATOM 2055 OD2 ASP A 661 7.262 -22.812 -3.103 1.00 6.74 O ATOM 0 H ASP A 661 7.218 -20.024 -0.584 1.00 4.43 H new ATOM 0 HA ASP A 661 5.446 -22.186 0.338 1.00 4.95 H new ATOM 0 HB2 ASP A 661 8.225 -22.125 -0.912 1.00 5.16 H new ATOM 0 HB3 ASP A 661 7.518 -23.583 -0.243 1.00 5.16 H new ATOM 2060 N ARG A 662 6.879 -22.943 2.392 1.00 6.47 N ATOM 2061 CA ARG A 662 7.609 -23.262 3.632 1.00 7.79 C ATOM 2062 C ARG A 662 8.864 -24.085 3.350 1.00 8.48 C ATOM 2063 O ARG A 662 9.906 -23.808 3.938 1.00 9.73 O ATOM 2064 CB ARG A 662 6.718 -24.008 4.645 1.00 8.72 C ATOM 2065 CG ARG A 662 5.379 -23.326 4.968 1.00 9.13 C ATOM 2066 CD ARG A 662 4.237 -23.899 4.124 1.00 9.26 C ATOM 2067 NE ARG A 662 2.961 -23.242 4.436 1.00 10.16 N ATOM 2068 CZ ARG A 662 1.751 -23.761 4.373 1.00 10.97 C ATOM 2069 NH1 ARG A 662 1.522 -24.987 4.003 1.00 11.05 N ATOM 2070 NH2 ARG A 662 0.743 -23.007 4.686 1.00 12.11 N ATOM 0 H ARG A 662 6.192 -23.652 2.136 1.00 6.47 H new ATOM 0 HA ARG A 662 7.906 -22.308 4.068 1.00 7.79 H new ATOM 0 HB2 ARG A 662 6.514 -25.007 4.259 1.00 8.72 H new ATOM 0 HB3 ARG A 662 7.277 -24.133 5.573 1.00 8.72 H new ATOM 0 HG2 ARG A 662 5.150 -23.455 6.026 1.00 9.13 H new ATOM 0 HG3 ARG A 662 5.463 -22.254 4.788 1.00 9.13 H new ATOM 0 HD2 ARG A 662 4.465 -23.772 3.066 1.00 9.26 H new ATOM 0 HD3 ARG A 662 4.151 -24.970 4.305 1.00 9.26 H new ATOM 0 HE ARG A 662 3.018 -22.269 4.737 1.00 10.16 H new ATOM 0 HH11 ARG A 662 2.299 -25.595 3.745 1.00 11.05 H new ATOM 0 HH12 ARG A 662 0.566 -25.340 3.971 1.00 11.05 H new ATOM 0 HH21 ARG A 662 0.899 -22.040 4.971 1.00 12.11 H new ATOM 0 HH22 ARG A 662 -0.205 -23.381 4.647 1.00 12.11 H new ATOM 2084 N ILE A 663 8.753 -25.093 2.471 1.00 8.23 N ATOM 2085 CA ILE A 663 9.729 -26.166 2.159 1.00 9.44 C ATOM 2086 C ILE A 663 10.072 -27.079 3.357 1.00 10.88 C ATOM 2087 O ILE A 663 10.085 -28.310 3.242 1.00 11.64 O ATOM 2088 CB ILE A 663 10.993 -25.579 1.476 1.00 9.75 C ATOM 2089 CG1 ILE A 663 10.701 -24.607 0.310 1.00 8.71 C ATOM 2090 CG2 ILE A 663 11.917 -26.710 1.002 1.00 11.15 C ATOM 2091 CD1 ILE A 663 9.904 -25.229 -0.837 1.00 8.78 C ATOM 0 H ILE A 663 7.908 -25.193 1.908 1.00 8.23 H new ATOM 0 HA ILE A 663 9.236 -26.830 1.449 1.00 9.44 H new ATOM 0 HB ILE A 663 11.487 -24.981 2.242 1.00 9.75 H new ATOM 0 HG12 ILE A 663 10.152 -23.748 0.696 1.00 8.71 H new ATOM 0 HG13 ILE A 663 11.647 -24.231 -0.081 1.00 8.71 H new ATOM 0 HG21 ILE A 663 12.799 -26.283 0.525 1.00 11.15 H new ATOM 0 HG22 ILE A 663 12.223 -27.313 1.857 1.00 11.15 H new ATOM 0 HG23 ILE A 663 11.386 -27.338 0.287 1.00 11.15 H new ATOM 0 HD11 ILE A 663 9.741 -24.482 -1.614 1.00 8.78 H new ATOM 0 HD12 ILE A 663 10.460 -26.070 -1.252 1.00 8.78 H new ATOM 0 HD13 ILE A 663 8.942 -25.579 -0.463 1.00 8.78 H new ATOM 2103 N GLY A 664 10.325 -26.467 4.509 1.00 11.58 N ATOM 2104 CA GLY A 664 10.645 -27.033 5.810 1.00 13.17 C ATOM 2105 C GLY A 664 11.062 -25.868 6.707 1.00 13.95 C ATOM 2106 O GLY A 664 10.203 -25.201 7.297 1.00 14.46 O ATOM 0 H GLY A 664 10.308 -25.448 4.556 1.00 11.58 H new ATOM 0 HA2 GLY A 664 9.783 -27.554 6.228 1.00 13.17 H new ATOM 0 HA3 GLY A 664 11.449 -27.764 5.727 1.00 13.17 H new ATOM 2110 N LYS A 665 12.372 -25.589 6.703 1.00 14.37 N ATOM 2111 CA LYS A 665 13.103 -24.472 7.333 1.00 15.47 C ATOM 2112 C LYS A 665 12.969 -24.349 8.860 1.00 16.88 C ATOM 2113 O LYS A 665 12.026 -24.858 9.474 1.00 17.20 O ATOM 2114 CB LYS A 665 12.843 -23.160 6.575 1.00 14.79 C ATOM 2115 CG LYS A 665 13.288 -23.237 5.101 1.00 13.94 C ATOM 2116 CD LYS A 665 13.049 -21.944 4.307 1.00 13.29 C ATOM 2117 CE LYS A 665 13.916 -20.782 4.807 1.00 14.47 C ATOM 2118 NZ LYS A 665 13.777 -19.598 3.932 1.00 14.27 N ATOM 0 H LYS A 665 13.018 -26.203 6.207 1.00 14.37 H new ATOM 0 HA LYS A 665 14.159 -24.720 7.230 1.00 15.47 H new ATOM 0 HB2 LYS A 665 11.780 -22.922 6.619 1.00 14.79 H new ATOM 0 HB3 LYS A 665 13.373 -22.346 7.070 1.00 14.79 H new ATOM 0 HG2 LYS A 665 14.349 -23.482 5.065 1.00 13.94 H new ATOM 0 HG3 LYS A 665 12.756 -24.054 4.614 1.00 13.94 H new ATOM 0 HD2 LYS A 665 13.260 -22.124 3.253 1.00 13.29 H new ATOM 0 HD3 LYS A 665 11.997 -21.666 4.378 1.00 13.29 H new ATOM 0 HE2 LYS A 665 13.628 -20.521 5.825 1.00 14.47 H new ATOM 0 HE3 LYS A 665 14.960 -21.092 4.841 1.00 14.47 H new ATOM 0 HZ1 LYS A 665 14.081 -18.748 4.448 1.00 14.27 H new ATOM 0 HZ2 LYS A 665 14.369 -19.720 3.086 1.00 14.27 H new ATOM 0 HZ3 LYS A 665 12.783 -19.492 3.646 1.00 14.27 H new ATOM 2132 N LYS A 666 13.960 -23.697 9.475 1.00 17.97 N ATOM 2133 CA LYS A 666 14.043 -23.344 10.906 1.00 19.59 C ATOM 2134 C LYS A 666 15.010 -22.168 11.095 1.00 20.61 C ATOM 2135 O LYS A 666 15.995 -22.072 10.359 1.00 20.72 O ATOM 2136 CB LYS A 666 14.445 -24.573 11.746 1.00 20.57 C ATOM 2137 CG LYS A 666 15.808 -25.192 11.384 1.00 21.30 C ATOM 2138 CD LYS A 666 15.988 -26.530 12.110 1.00 22.14 C ATOM 2139 CE LYS A 666 17.371 -27.120 11.825 1.00 23.25 C ATOM 2140 NZ LYS A 666 17.497 -28.467 12.422 1.00 24.16 N ATOM 0 H LYS A 666 14.780 -23.379 8.959 1.00 17.97 H new ATOM 0 HA LYS A 666 13.062 -23.027 11.260 1.00 19.59 H new ATOM 0 HB2 LYS A 666 14.461 -24.286 12.797 1.00 20.57 H new ATOM 0 HB3 LYS A 666 13.675 -25.337 11.636 1.00 20.57 H new ATOM 0 HG2 LYS A 666 15.873 -25.342 10.306 1.00 21.30 H new ATOM 0 HG3 LYS A 666 16.611 -24.509 11.660 1.00 21.30 H new ATOM 0 HD2 LYS A 666 15.863 -26.386 13.183 1.00 22.14 H new ATOM 0 HD3 LYS A 666 15.216 -27.230 11.790 1.00 22.14 H new ATOM 0 HE2 LYS A 666 17.533 -27.177 10.749 1.00 23.25 H new ATOM 0 HE3 LYS A 666 18.142 -26.464 12.229 1.00 23.25 H new ATOM 0 HZ1 LYS A 666 18.442 -28.850 12.218 1.00 24.16 H new ATOM 0 HZ2 LYS A 666 17.364 -28.404 13.452 1.00 24.16 H new ATOM 0 HZ3 LYS A 666 16.774 -29.095 12.017 1.00 24.16 H new ATOM 2154 N ASN A 667 14.735 -21.264 12.036 1.00 21.59 N ATOM 2155 CA ASN A 667 15.506 -20.021 12.197 1.00 22.73 C ATOM 2156 C ASN A 667 15.421 -19.434 13.617 1.00 24.12 C ATOM 2157 O ASN A 667 14.357 -19.483 14.243 1.00 24.27 O ATOM 2158 CB ASN A 667 15.016 -18.995 11.154 1.00 22.53 C ATOM 2159 CG ASN A 667 15.996 -17.853 10.959 1.00 23.42 C ATOM 2160 OD1 ASN A 667 16.877 -17.900 10.110 1.00 23.47 O ATOM 2161 ND2 ASN A 667 15.932 -16.821 11.761 1.00 24.40 N ATOM 0 H ASN A 667 13.975 -21.368 12.708 1.00 21.59 H new ATOM 0 HA ASN A 667 16.558 -20.258 12.036 1.00 22.73 H new ATOM 0 HB2 ASN A 667 14.855 -19.499 10.201 1.00 22.53 H new ATOM 0 HB3 ASN A 667 14.053 -18.593 11.469 1.00 22.53 H new ATOM 0 HD21 ASN A 667 16.612 -16.066 11.675 1.00 24.40 H new ATOM 0 HD22 ASN A 667 15.202 -16.772 12.472 1.00 24.40 H new ATOM 2168 N SER A 668 16.504 -18.807 14.088 1.00 25.28 N ATOM 2169 CA SER A 668 16.584 -18.117 15.384 1.00 26.78 C ATOM 2170 C SER A 668 15.725 -16.840 15.476 1.00 27.28 C ATOM 2171 O SER A 668 15.034 -16.437 14.531 1.00 26.59 O ATOM 2172 CB SER A 668 18.053 -17.845 15.755 1.00 27.75 C ATOM 2173 OG SER A 668 18.659 -16.872 14.909 1.00 27.39 O ATOM 0 H SER A 668 17.377 -18.763 13.563 1.00 25.28 H new ATOM 0 HA SER A 668 16.150 -18.795 16.119 1.00 26.78 H new ATOM 0 HB2 SER A 668 18.106 -17.506 16.789 1.00 27.75 H new ATOM 0 HB3 SER A 668 18.618 -18.776 15.695 1.00 27.75 H new ATOM 0 HG SER A 668 19.589 -16.733 15.185 1.00 27.39 H new ATOM 2179 N ILE A 669 15.739 -16.225 16.660 1.00 28.65 N ATOM 2180 CA ILE A 669 14.860 -15.117 17.066 1.00 29.52 C ATOM 2181 C ILE A 669 15.264 -13.761 16.460 1.00 29.68 C ATOM 2182 O ILE A 669 16.415 -13.563 16.049 1.00 29.58 O ATOM 2183 CB ILE A 669 14.763 -15.066 18.611 1.00 31.11 C ATOM 2184 CG1 ILE A 669 16.086 -14.610 19.271 1.00 32.02 C ATOM 2185 CG2 ILE A 669 14.314 -16.445 19.133 1.00 31.11 C ATOM 2186 CD1 ILE A 669 16.048 -14.589 20.806 1.00 33.71 C ATOM 0 H ILE A 669 16.390 -16.494 17.397 1.00 28.65 H new ATOM 0 HA ILE A 669 13.869 -15.317 16.658 1.00 29.52 H new ATOM 0 HB ILE A 669 14.021 -14.316 18.886 1.00 31.11 H new ATOM 0 HG12 ILE A 669 16.888 -15.273 18.947 1.00 32.02 H new ATOM 0 HG13 ILE A 669 16.333 -13.611 18.911 1.00 32.02 H new ATOM 0 HG21 ILE A 669 14.243 -16.417 20.220 1.00 31.11 H new ATOM 0 HG22 ILE A 669 13.340 -16.694 18.712 1.00 31.11 H new ATOM 0 HG23 ILE A 669 15.041 -17.201 18.836 1.00 31.11 H new ATOM 0 HD11 ILE A 669 17.013 -14.258 21.189 1.00 33.71 H new ATOM 0 HD12 ILE A 669 15.270 -13.903 21.141 1.00 33.71 H new ATOM 0 HD13 ILE A 669 15.833 -15.591 21.178 1.00 33.71 H new ATOM 2198 N LEU A 670 14.321 -12.818 16.420 1.00 30.13 N ATOM 2199 CA LEU A 670 14.514 -11.440 15.969 1.00 30.59 C ATOM 2200 C LEU A 670 14.651 -10.513 17.191 1.00 32.24 C ATOM 2201 O LEU A 670 13.679 -10.277 17.912 1.00 32.90 O ATOM 2202 CB LEU A 670 13.329 -11.096 15.049 1.00 29.99 C ATOM 2203 CG LEU A 670 13.304 -9.647 14.542 1.00 30.38 C ATOM 2204 CD1 LEU A 670 14.549 -9.302 13.726 1.00 30.54 C ATOM 2205 CD2 LEU A 670 12.078 -9.433 13.656 1.00 29.63 C ATOM 0 H LEU A 670 13.362 -13.002 16.714 1.00 30.13 H new ATOM 0 HA LEU A 670 15.434 -11.308 15.399 1.00 30.59 H new ATOM 0 HB2 LEU A 670 13.349 -11.766 14.189 1.00 29.99 H new ATOM 0 HB3 LEU A 670 12.401 -11.294 15.586 1.00 29.99 H new ATOM 0 HG LEU A 670 13.272 -9.000 15.419 1.00 30.38 H new ATOM 0 HD11 LEU A 670 14.488 -8.267 13.388 1.00 30.54 H new ATOM 0 HD12 LEU A 670 15.437 -9.429 14.345 1.00 30.54 H new ATOM 0 HD13 LEU A 670 14.612 -9.963 12.861 1.00 30.54 H new ATOM 0 HD21 LEU A 670 12.063 -8.404 13.298 1.00 29.63 H new ATOM 0 HD22 LEU A 670 12.121 -10.113 12.805 1.00 29.63 H new ATOM 0 HD23 LEU A 670 11.174 -9.630 14.232 1.00 29.63 H new ATOM 2217 N LEU A 671 15.866 -10.017 17.443 1.00 33.01 N ATOM 2218 CA LEU A 671 16.234 -9.272 18.660 1.00 34.68 C ATOM 2219 C LEU A 671 16.861 -7.901 18.355 1.00 35.42 C ATOM 2220 O LEU A 671 17.231 -7.630 17.208 1.00 34.64 O ATOM 2221 CB LEU A 671 17.098 -10.175 19.571 1.00 35.15 C ATOM 2222 CG LEU A 671 18.464 -10.651 19.028 1.00 35.61 C ATOM 2223 CD1 LEU A 671 19.534 -9.555 19.008 1.00 36.86 C ATOM 2224 CD2 LEU A 671 19.006 -11.770 19.920 1.00 35.98 C ATOM 0 H LEU A 671 16.644 -10.123 16.792 1.00 33.01 H new ATOM 0 HA LEU A 671 15.327 -9.021 19.211 1.00 34.68 H new ATOM 0 HB2 LEU A 671 17.277 -9.638 20.502 1.00 35.15 H new ATOM 0 HB3 LEU A 671 16.511 -11.059 19.821 1.00 35.15 H new ATOM 0 HG LEU A 671 18.277 -10.976 18.004 1.00 35.61 H new ATOM 0 HD11 LEU A 671 20.465 -9.963 18.615 1.00 36.86 H new ATOM 0 HD12 LEU A 671 19.201 -8.733 18.374 1.00 36.86 H new ATOM 0 HD13 LEU A 671 19.698 -9.188 20.021 1.00 36.86 H new ATOM 0 HD21 LEU A 671 19.970 -12.106 19.537 1.00 35.98 H new ATOM 0 HD22 LEU A 671 19.130 -11.397 20.937 1.00 35.98 H new ATOM 0 HD23 LEU A 671 18.305 -12.605 19.922 1.00 35.98 H new ATOM 2236 N HIS A 672 16.997 -7.063 19.389 1.00 37.03 N ATOM 2237 CA HIS A 672 17.524 -5.687 19.341 1.00 38.14 C ATOM 2238 C HIS A 672 16.706 -4.771 18.415 1.00 37.65 C ATOM 2239 O HIS A 672 17.115 -4.462 17.272 1.00 37.24 O ATOM 2240 CB HIS A 672 19.043 -5.743 19.091 1.00 38.94 C ATOM 2241 CG HIS A 672 19.749 -4.414 19.108 1.00 40.27 C ATOM 2242 ND1 HIS A 672 19.703 -3.470 20.108 1.00 41.34 N ATOM 2243 CD2 HIS A 672 20.610 -3.951 18.152 1.00 40.72 C ATOM 2244 CE1 HIS A 672 20.500 -2.448 19.748 1.00 42.38 C ATOM 2245 NE2 HIS A 672 21.098 -2.708 18.569 1.00 42.07 N ATOM 0 H HIS A 672 16.729 -7.338 20.334 1.00 37.03 H new ATOM 0 HA HIS A 672 17.397 -5.194 20.305 1.00 38.14 H new ATOM 0 HB2 HIS A 672 19.495 -6.385 19.847 1.00 38.94 H new ATOM 0 HB3 HIS A 672 19.218 -6.216 18.125 1.00 38.94 H new ATOM 0 HD2 HIS A 672 20.869 -4.457 17.234 1.00 40.72 H new ATOM 0 HE1 HIS A 672 20.641 -1.545 20.324 1.00 42.38 H new ATOM 0 HE2 HIS A 672 21.771 -2.118 18.079 1.00 42.07 H new TER 2253 HIS A 672