USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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: B 397 ASN : amide:sc= -3.3 K(o=-3.5,f=-6.5!) USER MOD Set 1.2: B 400 LYS NZ :NH3+ -176:sc= -0.224 (180deg=0) USER MOD Set 2.1: A 607 CYS SG : rot 75:sc= 1 USER MOD Set 2.2: A 662 SER OG : rot 69:sc= 0.657 USER MOD Single : A 601 SER OG : rot 180:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl 169:sc= -1.26 (180deg=-1.33) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -141:sc= -0.56 (180deg=-3.04!) USER MOD Single : A 617 GLN : amide:sc= 0.373 K(o=0.37,f=-0.3) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 623 ASN : amide:sc= -1.98 K(o=-2,f=-0.82) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -108:sc= 0.96 (180deg=-1.68!) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 638 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.11) USER MOD Single : A 639 SER OG : rot 180:sc= -0.617 USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 ASN : amide:sc= -4.06 K(o=-4.1,f=-4.9!) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.036) USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 663 THR OG1 : rot -170:sc= -0.631 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot -26:sc= -0.541 USER MOD Single : A 677 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 389 THR OG1 : rot 10:sc= 0.75 USER MOD Single : B 393 GLN : amide:sc= 0.192 X(o=0.19,f=-0.24) USER MOD Single : B 395 SER OG : rot -170:sc= 0 USER MOD Single : B 396 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 404 THR OG1 : rot 140:sc= -1.98 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -15.035 3.129 19.624 1.00 42.12 N ATOM 2 CA GLU A 600 -16.237 3.328 18.822 1.00 34.45 C ATOM 3 C GLU A 600 -15.980 4.324 17.695 1.00 75.03 C ATOM 4 O GLU A 600 -16.192 5.526 17.854 1.00 30.43 O ATOM 5 CB GLU A 600 -17.388 3.822 19.703 1.00 43.44 C ATOM 6 CG GLU A 600 -18.295 2.710 20.199 1.00 75.44 C ATOM 7 CD GLU A 600 -19.477 2.467 19.280 1.00 51.41 C ATOM 8 OE1 GLU A 600 -20.507 3.156 19.446 1.00 61.51 O ATOM 9 OE2 GLU A 600 -19.373 1.592 18.397 1.00 52.22 O ATOM 0 HA GLU A 600 -16.512 2.370 18.381 1.00 34.45 H new ATOM 0 HB2 GLU A 600 -16.976 4.353 20.561 1.00 43.44 H new ATOM 0 HB3 GLU A 600 -17.983 4.541 19.139 1.00 43.44 H new ATOM 0 HG2 GLU A 600 -17.718 1.790 20.293 1.00 75.44 H new ATOM 0 HG3 GLU A 600 -18.660 2.961 21.195 1.00 75.44 H new ATOM 16 N SER A 601 -15.523 3.814 16.556 1.00 73.52 N ATOM 17 CA SER A 601 -15.234 4.658 15.402 1.00 64.02 C ATOM 18 C SER A 601 -16.518 5.229 14.812 1.00 53.42 C ATOM 19 O SER A 601 -17.275 4.525 14.144 1.00 22.05 O ATOM 20 CB SER A 601 -14.479 3.860 14.337 1.00 74.41 C ATOM 21 OG SER A 601 -13.081 4.057 14.446 1.00 3.53 O ATOM 0 H SER A 601 -15.345 2.821 16.407 1.00 73.52 H new ATOM 0 HA SER A 601 -14.609 5.487 15.735 1.00 64.02 H new ATOM 0 HB2 SER A 601 -14.709 2.800 14.442 1.00 74.41 H new ATOM 0 HB3 SER A 601 -14.815 4.162 13.345 1.00 74.41 H new ATOM 0 HG SER A 601 -12.622 3.535 13.755 1.00 3.53 H new ATOM 27 N GLU A 602 -16.757 6.514 15.062 1.00 62.30 N ATOM 28 CA GLU A 602 -17.950 7.181 14.555 1.00 13.21 C ATOM 29 C GLU A 602 -17.894 7.319 13.036 1.00 32.12 C ATOM 30 O GLU A 602 -18.912 7.202 12.354 1.00 4.10 O ATOM 31 CB GLU A 602 -18.103 8.561 15.199 1.00 43.13 C ATOM 32 CG GLU A 602 -19.116 8.597 16.329 1.00 20.34 C ATOM 33 CD GLU A 602 -20.524 8.880 15.843 1.00 14.02 C ATOM 34 OE1 GLU A 602 -21.032 8.097 15.013 1.00 33.52 O ATOM 35 OE2 GLU A 602 -21.117 9.883 16.290 1.00 33.02 O ATOM 0 H GLU A 602 -16.140 7.112 15.612 1.00 62.30 H new ATOM 0 HA GLU A 602 -18.814 6.569 14.814 1.00 13.21 H new ATOM 0 HB2 GLU A 602 -17.134 8.884 15.581 1.00 43.13 H new ATOM 0 HB3 GLU A 602 -18.399 9.279 14.434 1.00 43.13 H new ATOM 0 HG2 GLU A 602 -19.102 7.642 16.854 1.00 20.34 H new ATOM 0 HG3 GLU A 602 -18.824 9.361 17.049 1.00 20.34 H new ATOM 42 N GLU A 603 -16.696 7.569 12.515 1.00 15.53 N ATOM 43 CA GLU A 603 -16.508 7.725 11.078 1.00 21.11 C ATOM 44 C GLU A 603 -16.127 6.397 10.432 1.00 25.52 C ATOM 45 O GLU A 603 -15.175 6.323 9.656 1.00 73.14 O ATOM 46 CB GLU A 603 -15.427 8.771 10.794 1.00 40.32 C ATOM 47 CG GLU A 603 -15.799 10.170 11.254 1.00 3.21 C ATOM 48 CD GLU A 603 -15.154 10.540 12.575 1.00 44.42 C ATOM 49 OE1 GLU A 603 -13.989 10.150 12.797 1.00 32.34 O ATOM 50 OE2 GLU A 603 -15.815 11.222 13.387 1.00 4.13 O ATOM 0 H GLU A 603 -15.843 7.668 13.066 1.00 15.53 H new ATOM 0 HA GLU A 603 -17.452 8.061 10.648 1.00 21.11 H new ATOM 0 HB2 GLU A 603 -14.503 8.469 11.287 1.00 40.32 H new ATOM 0 HB3 GLU A 603 -15.225 8.791 9.723 1.00 40.32 H new ATOM 0 HG2 GLU A 603 -15.499 10.890 10.493 1.00 3.21 H new ATOM 0 HG3 GLU A 603 -16.882 10.241 11.350 1.00 3.21 H new ATOM 57 N GLU A 604 -16.877 5.348 10.761 1.00 44.52 N ATOM 58 CA GLU A 604 -16.616 4.022 10.214 1.00 54.04 C ATOM 59 C GLU A 604 -17.512 3.745 9.009 1.00 24.03 C ATOM 60 O GLU A 604 -17.094 3.098 8.048 1.00 40.31 O ATOM 61 CB GLU A 604 -16.839 2.952 11.284 1.00 2.25 C ATOM 62 CG GLU A 604 -18.272 2.878 11.782 1.00 11.35 C ATOM 63 CD GLU A 604 -19.075 1.794 11.091 1.00 63.01 C ATOM 64 OE1 GLU A 604 -18.512 0.707 10.844 1.00 74.14 O ATOM 65 OE2 GLU A 604 -20.264 2.032 10.797 1.00 54.23 O ATOM 0 H GLU A 604 -17.669 5.392 11.403 1.00 44.52 H new ATOM 0 HA GLU A 604 -15.576 3.989 9.888 1.00 54.04 H new ATOM 0 HB2 GLU A 604 -16.553 1.981 10.880 1.00 2.25 H new ATOM 0 HB3 GLU A 604 -16.180 3.152 12.129 1.00 2.25 H new ATOM 0 HG2 GLU A 604 -18.270 2.694 12.856 1.00 11.35 H new ATOM 0 HG3 GLU A 604 -18.758 3.841 11.624 1.00 11.35 H new ATOM 72 N ASP A 605 -18.743 4.238 9.069 1.00 43.45 N ATOM 73 CA ASP A 605 -19.698 4.046 7.983 1.00 20.23 C ATOM 74 C ASP A 605 -19.143 4.587 6.669 1.00 20.51 C ATOM 75 O ASP A 605 -19.394 4.029 5.601 1.00 63.43 O ATOM 76 CB ASP A 605 -21.023 4.733 8.313 1.00 13.35 C ATOM 77 CG ASP A 605 -20.968 6.232 8.096 1.00 52.34 C ATOM 78 OD1 ASP A 605 -21.224 6.676 6.957 1.00 24.32 O ATOM 79 OD2 ASP A 605 -20.668 6.962 9.064 1.00 55.43 O ATOM 0 H ASP A 605 -19.104 4.774 9.858 1.00 43.45 H new ATOM 0 HA ASP A 605 -19.871 2.976 7.870 1.00 20.23 H new ATOM 0 HB2 ASP A 605 -21.813 4.308 7.694 1.00 13.35 H new ATOM 0 HB3 ASP A 605 -21.286 4.529 9.351 1.00 13.35 H new ATOM 84 N LYS A 606 -18.389 5.678 6.756 1.00 74.43 N ATOM 85 CA LYS A 606 -17.799 6.296 5.574 1.00 72.11 C ATOM 86 C LYS A 606 -16.730 5.394 4.966 1.00 4.34 C ATOM 87 O LYS A 606 -16.510 5.407 3.754 1.00 22.24 O ATOM 88 CB LYS A 606 -17.192 7.654 5.933 1.00 34.55 C ATOM 89 CG LYS A 606 -16.108 7.575 6.993 1.00 1.31 C ATOM 90 CD LYS A 606 -14.757 8.001 6.442 1.00 13.11 C ATOM 91 CE LYS A 606 -14.505 9.483 6.670 1.00 1.41 C ATOM 92 NZ LYS A 606 -15.103 10.320 5.594 1.00 53.00 N ATOM 0 H LYS A 606 -18.172 6.152 7.633 1.00 74.43 H new ATOM 0 HA LYS A 606 -18.589 6.442 4.837 1.00 72.11 H new ATOM 0 HB2 LYS A 606 -16.776 8.106 5.033 1.00 34.55 H new ATOM 0 HB3 LYS A 606 -17.984 8.315 6.284 1.00 34.55 H new ATOM 0 HG2 LYS A 606 -16.375 8.212 7.836 1.00 1.31 H new ATOM 0 HG3 LYS A 606 -16.042 6.555 7.372 1.00 1.31 H new ATOM 0 HD2 LYS A 606 -13.968 7.419 6.919 1.00 13.11 H new ATOM 0 HD3 LYS A 606 -14.713 7.783 5.375 1.00 13.11 H new ATOM 0 HE2 LYS A 606 -14.921 9.778 7.633 1.00 1.41 H new ATOM 0 HE3 LYS A 606 -13.431 9.666 6.718 1.00 1.41 H new ATOM 0 HZ1 LYS A 606 -14.909 11.323 5.786 1.00 53.00 H new ATOM 0 HZ2 LYS A 606 -14.687 10.057 4.678 1.00 53.00 H new ATOM 0 HZ3 LYS A 606 -16.131 10.166 5.565 1.00 53.00 H new ATOM 106 N CYS A 607 -16.069 4.614 5.814 1.00 64.42 N ATOM 107 CA CYS A 607 -15.021 3.705 5.359 1.00 35.23 C ATOM 108 C CYS A 607 -15.624 2.464 4.708 1.00 2.41 C ATOM 109 O CYS A 607 -16.160 1.589 5.389 1.00 1.53 O ATOM 110 CB CYS A 607 -14.128 3.298 6.531 1.00 64.11 C ATOM 111 SG CYS A 607 -13.513 4.689 7.509 1.00 70.40 S ATOM 0 H CYS A 607 -16.239 4.592 6.819 1.00 64.42 H new ATOM 0 HA CYS A 607 -14.418 4.226 4.616 1.00 35.23 H new ATOM 0 HB2 CYS A 607 -14.687 2.628 7.184 1.00 64.11 H new ATOM 0 HB3 CYS A 607 -13.278 2.734 6.147 1.00 64.11 H new ATOM 0 HG CYS A 607 -14.471 5.151 8.257 1.00 70.40 H new ATOM 117 N LYS A 608 -15.535 2.394 3.384 1.00 2.23 N ATOM 118 CA LYS A 608 -16.071 1.261 2.639 1.00 40.22 C ATOM 119 C LYS A 608 -14.973 0.252 2.319 1.00 4.25 C ATOM 120 O LYS A 608 -13.787 0.583 2.270 1.00 33.12 O ATOM 121 CB LYS A 608 -16.730 1.742 1.345 1.00 45.05 C ATOM 122 CG LYS A 608 -18.063 2.437 1.562 1.00 51.11 C ATOM 123 CD LYS A 608 -19.076 1.509 2.212 1.00 1.40 C ATOM 124 CE LYS A 608 -20.490 2.054 2.088 1.00 12.30 C ATOM 125 NZ LYS A 608 -21.504 1.085 2.589 1.00 31.44 N ATOM 0 H LYS A 608 -15.096 3.109 2.804 1.00 2.23 H new ATOM 0 HA LYS A 608 -16.820 0.771 3.260 1.00 40.22 H new ATOM 0 HB2 LYS A 608 -16.052 2.426 0.835 1.00 45.05 H new ATOM 0 HB3 LYS A 608 -16.879 0.888 0.684 1.00 45.05 H new ATOM 0 HG2 LYS A 608 -17.918 3.316 2.190 1.00 51.11 H new ATOM 0 HG3 LYS A 608 -18.451 2.789 0.606 1.00 51.11 H new ATOM 0 HD2 LYS A 608 -19.022 0.525 1.746 1.00 1.40 H new ATOM 0 HD3 LYS A 608 -18.827 1.377 3.265 1.00 1.40 H new ATOM 0 HE2 LYS A 608 -20.570 2.986 2.648 1.00 12.30 H new ATOM 0 HE3 LYS A 608 -20.698 2.290 1.044 1.00 12.30 H new ATOM 0 HZ1 LYS A 608 -22.455 1.494 2.487 1.00 31.44 H new ATOM 0 HZ2 LYS A 608 -21.445 0.205 2.038 1.00 31.44 H new ATOM 0 HZ3 LYS A 608 -21.321 0.879 3.592 1.00 31.44 H new ATOM 139 N PRO A 609 -15.373 -1.008 2.095 1.00 43.35 N ATOM 140 CA PRO A 609 -14.438 -2.090 1.773 1.00 31.41 C ATOM 141 C PRO A 609 -13.825 -1.934 0.385 1.00 0.33 C ATOM 142 O PRO A 609 -14.421 -1.322 -0.501 1.00 71.42 O ATOM 143 CB PRO A 609 -15.313 -3.344 1.833 1.00 70.42 C ATOM 144 CG PRO A 609 -16.693 -2.857 1.554 1.00 41.25 C ATOM 145 CD PRO A 609 -16.770 -1.473 2.136 1.00 21.13 C ATOM 0 HA PRO A 609 -13.590 -2.112 2.457 1.00 31.41 H new ATOM 0 HB2 PRO A 609 -14.997 -4.083 1.096 1.00 70.42 H new ATOM 0 HB3 PRO A 609 -15.252 -3.823 2.810 1.00 70.42 H new ATOM 0 HG2 PRO A 609 -16.892 -2.841 0.482 1.00 41.25 H new ATOM 0 HG3 PRO A 609 -17.437 -3.513 2.007 1.00 41.25 H new ATOM 0 HD2 PRO A 609 -17.426 -0.827 1.552 1.00 21.13 H new ATOM 0 HD3 PRO A 609 -17.160 -1.486 3.154 1.00 21.13 H new ATOM 153 N MET A 610 -12.632 -2.490 0.205 1.00 72.14 N ATOM 154 CA MET A 610 -11.939 -2.413 -1.077 1.00 35.12 C ATOM 155 C MET A 610 -11.715 -3.805 -1.658 1.00 34.52 C ATOM 156 O MET A 610 -10.898 -4.575 -1.152 1.00 14.10 O ATOM 157 CB MET A 610 -10.599 -1.693 -0.914 1.00 71.23 C ATOM 158 CG MET A 610 -10.720 -0.321 -0.271 1.00 25.34 C ATOM 159 SD MET A 610 -11.248 0.949 -1.436 1.00 23.22 S ATOM 160 CE MET A 610 -9.816 1.041 -2.508 1.00 70.44 C ATOM 0 H MET A 610 -12.125 -2.998 0.929 1.00 72.14 H new ATOM 0 HA MET A 610 -12.565 -1.847 -1.767 1.00 35.12 H new ATOM 0 HB2 MET A 610 -9.935 -2.311 -0.310 1.00 71.23 H new ATOM 0 HB3 MET A 610 -10.132 -1.586 -1.893 1.00 71.23 H new ATOM 0 HG2 MET A 610 -11.432 -0.372 0.552 1.00 25.34 H new ATOM 0 HG3 MET A 610 -9.758 -0.039 0.157 1.00 25.34 H new ATOM 0 HE1 MET A 610 -10.059 1.635 -3.389 1.00 70.44 H new ATOM 0 HE2 MET A 610 -8.990 1.508 -1.972 1.00 70.44 H new ATOM 0 HE3 MET A 610 -9.527 0.036 -2.816 1.00 70.44 H new ATOM 170 N SER A 611 -12.445 -4.122 -2.723 1.00 33.41 N ATOM 171 CA SER A 611 -12.328 -5.423 -3.370 1.00 75.32 C ATOM 172 C SER A 611 -11.010 -5.537 -4.128 1.00 70.13 C ATOM 173 O SER A 611 -10.312 -4.543 -4.334 1.00 61.10 O ATOM 174 CB SER A 611 -13.501 -5.647 -4.327 1.00 21.11 C ATOM 175 OG SER A 611 -13.810 -7.026 -4.441 1.00 13.22 O ATOM 0 H SER A 611 -13.124 -3.495 -3.156 1.00 33.41 H new ATOM 0 HA SER A 611 -12.348 -6.189 -2.595 1.00 75.32 H new ATOM 0 HB2 SER A 611 -14.375 -5.104 -3.969 1.00 21.11 H new ATOM 0 HB3 SER A 611 -13.255 -5.244 -5.309 1.00 21.11 H new ATOM 0 HG SER A 611 -14.564 -7.143 -5.057 1.00 13.22 H new ATOM 181 N TYR A 612 -10.674 -6.754 -4.540 1.00 20.54 N ATOM 182 CA TYR A 612 -9.438 -7.000 -5.274 1.00 14.14 C ATOM 183 C TYR A 612 -9.339 -6.090 -6.494 1.00 75.51 C ATOM 184 O TYR A 612 -8.245 -5.756 -6.944 1.00 51.51 O ATOM 185 CB TYR A 612 -9.359 -8.465 -5.705 1.00 41.44 C ATOM 186 CG TYR A 612 -10.638 -8.982 -6.326 1.00 21.15 C ATOM 187 CD1 TYR A 612 -10.949 -8.711 -7.652 1.00 3.30 C ATOM 188 CD2 TYR A 612 -11.533 -9.744 -5.586 1.00 22.24 C ATOM 189 CE1 TYR A 612 -12.116 -9.182 -8.223 1.00 0.50 C ATOM 190 CE2 TYR A 612 -12.702 -10.220 -6.147 1.00 44.05 C ATOM 191 CZ TYR A 612 -12.989 -9.936 -7.466 1.00 60.14 C ATOM 192 OH TYR A 612 -14.152 -10.408 -8.031 1.00 0.20 O ATOM 0 H TYR A 612 -11.241 -7.587 -4.378 1.00 20.54 H new ATOM 0 HA TYR A 612 -8.601 -6.779 -4.612 1.00 14.14 H new ATOM 0 HB2 TYR A 612 -8.545 -8.582 -6.420 1.00 41.44 H new ATOM 0 HB3 TYR A 612 -9.112 -9.078 -4.838 1.00 41.44 H new ATOM 0 HD1 TYR A 612 -10.267 -8.122 -8.247 1.00 3.30 H new ATOM 0 HD2 TYR A 612 -11.311 -9.968 -4.553 1.00 22.24 H new ATOM 0 HE1 TYR A 612 -12.343 -8.961 -9.255 1.00 0.50 H new ATOM 0 HE2 TYR A 612 -13.387 -10.811 -5.557 1.00 44.05 H new ATOM 0 HH TYR A 612 -14.655 -10.922 -7.365 1.00 0.20 H new ATOM 202 N GLU A 613 -10.493 -5.697 -7.026 1.00 3.32 N ATOM 203 CA GLU A 613 -10.537 -4.827 -8.195 1.00 14.33 C ATOM 204 C GLU A 613 -9.775 -3.530 -7.938 1.00 33.03 C ATOM 205 O GLU A 613 -8.791 -3.234 -8.612 1.00 44.23 O ATOM 206 CB GLU A 613 -11.987 -4.513 -8.570 1.00 60.45 C ATOM 207 CG GLU A 613 -12.299 -4.743 -10.040 1.00 21.42 C ATOM 208 CD GLU A 613 -13.779 -4.952 -10.296 1.00 20.22 C ATOM 209 OE1 GLU A 613 -14.423 -5.666 -9.500 1.00 33.11 O ATOM 210 OE2 GLU A 613 -14.292 -4.401 -11.292 1.00 71.15 O ATOM 0 H GLU A 613 -11.408 -5.967 -6.666 1.00 3.32 H new ATOM 0 HA GLU A 613 -10.060 -5.350 -9.023 1.00 14.33 H new ATOM 0 HB2 GLU A 613 -12.652 -5.130 -7.965 1.00 60.45 H new ATOM 0 HB3 GLU A 613 -12.201 -3.474 -8.320 1.00 60.45 H new ATOM 0 HG2 GLU A 613 -11.951 -3.888 -10.620 1.00 21.42 H new ATOM 0 HG3 GLU A 613 -11.746 -5.614 -10.393 1.00 21.42 H new ATOM 217 N GLU A 614 -10.239 -2.762 -6.957 1.00 75.30 N ATOM 218 CA GLU A 614 -9.603 -1.496 -6.611 1.00 62.22 C ATOM 219 C GLU A 614 -8.218 -1.729 -6.015 1.00 64.32 C ATOM 220 O GLU A 614 -7.310 -0.915 -6.186 1.00 61.54 O ATOM 221 CB GLU A 614 -10.471 -0.716 -5.623 1.00 61.00 C ATOM 222 CG GLU A 614 -11.889 -0.478 -6.114 1.00 75.45 C ATOM 223 CD GLU A 614 -12.292 0.982 -6.051 1.00 22.24 C ATOM 224 OE1 GLU A 614 -12.788 1.416 -4.990 1.00 72.33 O ATOM 225 OE2 GLU A 614 -12.109 1.691 -7.062 1.00 72.35 O ATOM 0 H GLU A 614 -11.053 -2.994 -6.388 1.00 75.30 H new ATOM 0 HA GLU A 614 -9.493 -0.912 -7.525 1.00 62.22 H new ATOM 0 HB2 GLU A 614 -10.509 -1.259 -4.679 1.00 61.00 H new ATOM 0 HB3 GLU A 614 -10.000 0.246 -5.419 1.00 61.00 H new ATOM 0 HG2 GLU A 614 -11.978 -0.831 -7.141 1.00 75.45 H new ATOM 0 HG3 GLU A 614 -12.581 -1.068 -5.513 1.00 75.45 H new ATOM 232 N LYS A 615 -8.062 -2.847 -5.313 1.00 33.41 N ATOM 233 CA LYS A 615 -6.790 -3.190 -4.690 1.00 1.13 C ATOM 234 C LYS A 615 -5.703 -3.381 -5.744 1.00 3.23 C ATOM 235 O LYS A 615 -4.651 -2.745 -5.686 1.00 63.00 O ATOM 236 CB LYS A 615 -6.933 -4.463 -3.853 1.00 74.44 C ATOM 237 CG LYS A 615 -7.477 -4.216 -2.458 1.00 15.13 C ATOM 238 CD LYS A 615 -8.252 -5.416 -1.939 1.00 45.14 C ATOM 239 CE LYS A 615 -7.355 -6.636 -1.791 1.00 74.14 C ATOM 240 NZ LYS A 615 -7.931 -7.833 -2.465 1.00 11.05 N ATOM 0 H LYS A 615 -8.803 -3.532 -5.162 1.00 33.41 H new ATOM 0 HA LYS A 615 -6.500 -2.366 -4.038 1.00 1.13 H new ATOM 0 HB2 LYS A 615 -7.593 -5.157 -4.373 1.00 74.44 H new ATOM 0 HB3 LYS A 615 -5.959 -4.947 -3.774 1.00 74.44 H new ATOM 0 HG2 LYS A 615 -6.653 -3.993 -1.780 1.00 15.13 H new ATOM 0 HG3 LYS A 615 -8.126 -3.340 -2.470 1.00 15.13 H new ATOM 0 HD2 LYS A 615 -8.699 -5.173 -0.975 1.00 45.14 H new ATOM 0 HD3 LYS A 615 -9.070 -5.645 -2.622 1.00 45.14 H new ATOM 0 HE2 LYS A 615 -6.374 -6.419 -2.213 1.00 74.14 H new ATOM 0 HE3 LYS A 615 -7.206 -6.851 -0.733 1.00 74.14 H new ATOM 0 HZ1 LYS A 615 -7.756 -8.677 -1.883 1.00 11.05 H new ATOM 0 HZ2 LYS A 615 -8.956 -7.703 -2.588 1.00 11.05 H new ATOM 0 HZ3 LYS A 615 -7.484 -7.956 -3.396 1.00 11.05 H new ATOM 254 N ARG A 616 -5.965 -4.260 -6.705 1.00 55.11 N ATOM 255 CA ARG A 616 -5.010 -4.534 -7.771 1.00 1.21 C ATOM 256 C ARG A 616 -4.547 -3.239 -8.433 1.00 31.44 C ATOM 257 O ARG A 616 -3.414 -3.143 -8.905 1.00 13.21 O ATOM 258 CB ARG A 616 -5.632 -5.460 -8.818 1.00 71.11 C ATOM 259 CG ARG A 616 -6.426 -4.725 -9.885 1.00 44.44 C ATOM 260 CD ARG A 616 -5.560 -4.383 -11.087 1.00 65.24 C ATOM 261 NE ARG A 616 -5.879 -5.213 -12.246 1.00 41.14 N ATOM 262 CZ ARG A 616 -5.077 -5.347 -13.298 1.00 14.15 C ATOM 263 NH1 ARG A 616 -3.916 -4.710 -13.335 1.00 11.31 N ATOM 264 NH2 ARG A 616 -5.439 -6.120 -14.314 1.00 22.21 N ATOM 0 H ARG A 616 -6.831 -4.795 -6.767 1.00 55.11 H new ATOM 0 HA ARG A 616 -4.144 -5.026 -7.330 1.00 1.21 H new ATOM 0 HB2 ARG A 616 -4.841 -6.036 -9.298 1.00 71.11 H new ATOM 0 HB3 ARG A 616 -6.286 -6.174 -8.317 1.00 71.11 H new ATOM 0 HG2 ARG A 616 -7.266 -5.342 -10.204 1.00 44.44 H new ATOM 0 HG3 ARG A 616 -6.844 -3.810 -9.464 1.00 44.44 H new ATOM 0 HD2 ARG A 616 -5.696 -3.333 -11.345 1.00 65.24 H new ATOM 0 HD3 ARG A 616 -4.510 -4.513 -10.826 1.00 65.24 H new ATOM 0 HE ARG A 616 -6.766 -5.717 -12.248 1.00 41.14 H new ATOM 0 HH11 ARG A 616 -3.636 -4.115 -12.555 1.00 11.31 H new ATOM 0 HH12 ARG A 616 -3.303 -4.814 -14.143 1.00 11.31 H new ATOM 0 HH21 ARG A 616 -6.332 -6.611 -14.288 1.00 22.21 H new ATOM 0 HH22 ARG A 616 -4.824 -6.223 -15.121 1.00 22.21 H new ATOM 278 N GLN A 617 -5.432 -2.248 -8.463 1.00 43.22 N ATOM 279 CA GLN A 617 -5.114 -0.959 -9.068 1.00 64.44 C ATOM 280 C GLN A 617 -4.008 -0.252 -8.292 1.00 0.11 C ATOM 281 O GLN A 617 -3.127 0.378 -8.880 1.00 43.13 O ATOM 282 CB GLN A 617 -6.361 -0.075 -9.122 1.00 70.24 C ATOM 283 CG GLN A 617 -6.261 1.057 -10.131 1.00 51.20 C ATOM 284 CD GLN A 617 -5.870 0.574 -11.514 1.00 34.34 C ATOM 285 OE1 GLN A 617 -6.720 0.152 -12.300 1.00 21.53 O ATOM 286 NE2 GLN A 617 -4.579 0.633 -11.820 1.00 13.30 N ATOM 0 H GLN A 617 -6.374 -2.312 -8.076 1.00 43.22 H new ATOM 0 HA GLN A 617 -4.762 -1.140 -10.084 1.00 64.44 H new ATOM 0 HB2 GLN A 617 -7.224 -0.694 -9.367 1.00 70.24 H new ATOM 0 HB3 GLN A 617 -6.541 0.346 -8.133 1.00 70.24 H new ATOM 0 HG2 GLN A 617 -7.219 1.573 -10.188 1.00 51.20 H new ATOM 0 HG3 GLN A 617 -5.527 1.784 -9.784 1.00 51.20 H new ATOM 0 HE21 GLN A 617 -3.909 0.990 -11.138 1.00 13.30 H new ATOM 0 HE22 GLN A 617 -4.257 0.322 -12.737 1.00 13.30 H new ATOM 295 N LEU A 618 -4.059 -0.358 -6.969 1.00 61.51 N ATOM 296 CA LEU A 618 -3.061 0.272 -6.112 1.00 3.13 C ATOM 297 C LEU A 618 -1.683 -0.341 -6.338 1.00 24.14 C ATOM 298 O LEU A 618 -0.668 0.352 -6.284 1.00 2.45 O ATOM 299 CB LEU A 618 -3.461 0.129 -4.641 1.00 44.03 C ATOM 300 CG LEU A 618 -4.402 1.202 -4.094 1.00 42.31 C ATOM 301 CD1 LEU A 618 -3.796 2.586 -4.274 1.00 25.11 C ATOM 302 CD2 LEU A 618 -5.759 1.121 -4.778 1.00 20.31 C ATOM 0 H LEU A 618 -4.781 -0.874 -6.466 1.00 61.51 H new ATOM 0 HA LEU A 618 -3.013 1.330 -6.369 1.00 3.13 H new ATOM 0 HB2 LEU A 618 -3.934 -0.844 -4.507 1.00 44.03 H new ATOM 0 HB3 LEU A 618 -2.554 0.128 -4.037 1.00 44.03 H new ATOM 0 HG LEU A 618 -4.543 1.024 -3.028 1.00 42.31 H new ATOM 0 HD11 LEU A 618 -4.480 3.337 -3.879 1.00 25.11 H new ATOM 0 HD12 LEU A 618 -2.848 2.641 -3.738 1.00 25.11 H new ATOM 0 HD13 LEU A 618 -3.625 2.773 -5.334 1.00 25.11 H new ATOM 0 HD21 LEU A 618 -6.416 1.892 -4.376 1.00 20.31 H new ATOM 0 HD22 LEU A 618 -5.636 1.272 -5.850 1.00 20.31 H new ATOM 0 HD23 LEU A 618 -6.199 0.140 -4.598 1.00 20.31 H new ATOM 314 N SER A 619 -1.656 -1.646 -6.593 1.00 44.13 N ATOM 315 CA SER A 619 -0.403 -2.353 -6.826 1.00 42.04 C ATOM 316 C SER A 619 0.376 -1.714 -7.973 1.00 30.34 C ATOM 317 O SER A 619 1.559 -1.398 -7.836 1.00 22.23 O ATOM 318 CB SER A 619 -0.674 -3.826 -7.137 1.00 53.03 C ATOM 319 OG SER A 619 0.153 -4.285 -8.193 1.00 61.33 O ATOM 0 H SER A 619 -2.488 -2.234 -6.643 1.00 44.13 H new ATOM 0 HA SER A 619 0.198 -2.285 -5.919 1.00 42.04 H new ATOM 0 HB2 SER A 619 -0.498 -4.428 -6.245 1.00 53.03 H new ATOM 0 HB3 SER A 619 -1.722 -3.957 -7.408 1.00 53.03 H new ATOM 0 HG SER A 619 -0.038 -5.229 -8.371 1.00 61.33 H new ATOM 325 N LEU A 620 -0.295 -1.528 -9.104 1.00 24.13 N ATOM 326 CA LEU A 620 0.333 -0.927 -10.276 1.00 13.02 C ATOM 327 C LEU A 620 0.567 0.565 -10.063 1.00 14.12 C ATOM 328 O LEU A 620 1.682 1.059 -10.229 1.00 13.41 O ATOM 329 CB LEU A 620 -0.538 -1.147 -11.514 1.00 22.54 C ATOM 330 CG LEU A 620 -0.181 -0.309 -12.742 1.00 54.23 C ATOM 331 CD1 LEU A 620 1.131 -0.780 -13.348 1.00 70.13 C ATOM 332 CD2 LEU A 620 -1.300 -0.371 -13.772 1.00 63.24 C ATOM 0 H LEU A 620 -1.274 -1.784 -9.235 1.00 24.13 H new ATOM 0 HA LEU A 620 1.299 -1.409 -10.428 1.00 13.02 H new ATOM 0 HB2 LEU A 620 -0.484 -2.200 -11.789 1.00 22.54 H new ATOM 0 HB3 LEU A 620 -1.574 -0.940 -11.246 1.00 22.54 H new ATOM 0 HG LEU A 620 -0.059 0.728 -12.428 1.00 54.23 H new ATOM 0 HD11 LEU A 620 1.368 -0.171 -14.221 1.00 70.13 H new ATOM 0 HD12 LEU A 620 1.928 -0.683 -12.611 1.00 70.13 H new ATOM 0 HD13 LEU A 620 1.039 -1.824 -13.648 1.00 70.13 H new ATOM 0 HD21 LEU A 620 -1.030 0.231 -14.640 1.00 63.24 H new ATOM 0 HD22 LEU A 620 -1.453 -1.405 -14.081 1.00 63.24 H new ATOM 0 HD23 LEU A 620 -2.220 0.017 -13.334 1.00 63.24 H new ATOM 344 N ASP A 621 -0.492 1.278 -9.694 1.00 20.05 N ATOM 345 CA ASP A 621 -0.402 2.714 -9.454 1.00 62.35 C ATOM 346 C ASP A 621 0.751 3.036 -8.510 1.00 23.12 C ATOM 347 O ASP A 621 1.615 3.855 -8.827 1.00 64.20 O ATOM 348 CB ASP A 621 -1.716 3.239 -8.873 1.00 43.43 C ATOM 349 CG ASP A 621 -2.890 3.018 -9.806 1.00 55.43 C ATOM 350 OD1 ASP A 621 -2.693 2.404 -10.876 1.00 41.53 O ATOM 351 OD2 ASP A 621 -4.008 3.458 -9.466 1.00 14.41 O ATOM 0 H ASP A 621 -1.423 0.885 -9.555 1.00 20.05 H new ATOM 0 HA ASP A 621 -0.214 3.206 -10.408 1.00 62.35 H new ATOM 0 HB2 ASP A 621 -1.913 2.744 -7.922 1.00 43.43 H new ATOM 0 HB3 ASP A 621 -1.618 4.304 -8.663 1.00 43.43 H new ATOM 356 N ILE A 622 0.758 2.389 -7.350 1.00 22.31 N ATOM 357 CA ILE A 622 1.805 2.607 -6.360 1.00 3.01 C ATOM 358 C ILE A 622 3.181 2.287 -6.935 1.00 63.11 C ATOM 359 O ILE A 622 4.189 2.846 -6.508 1.00 1.02 O ATOM 360 CB ILE A 622 1.576 1.751 -5.100 1.00 41.10 C ATOM 361 CG1 ILE A 622 0.341 2.240 -4.342 1.00 52.43 C ATOM 362 CG2 ILE A 622 2.805 1.789 -4.204 1.00 33.42 C ATOM 363 CD1 ILE A 622 -0.013 1.385 -3.146 1.00 53.01 C ATOM 0 H ILE A 622 0.050 1.709 -7.072 1.00 22.31 H new ATOM 0 HA ILE A 622 1.765 3.661 -6.085 1.00 3.01 H new ATOM 0 HB ILE A 622 1.405 0.719 -5.406 1.00 41.10 H new ATOM 0 HG12 ILE A 622 0.511 3.264 -4.009 1.00 52.43 H new ATOM 0 HG13 ILE A 622 -0.508 2.264 -5.025 1.00 52.43 H new ATOM 0 HG21 ILE A 622 2.628 1.180 -3.318 1.00 33.42 H new ATOM 0 HG22 ILE A 622 3.664 1.397 -4.748 1.00 33.42 H new ATOM 0 HG23 ILE A 622 3.004 2.818 -3.903 1.00 33.42 H new ATOM 0 HD11 ILE A 622 -0.899 1.792 -2.657 1.00 53.01 H new ATOM 0 HD12 ILE A 622 -0.216 0.366 -3.475 1.00 53.01 H new ATOM 0 HD13 ILE A 622 0.820 1.381 -2.443 1.00 53.01 H new ATOM 375 N ASN A 623 3.213 1.382 -7.910 1.00 3.44 N ATOM 376 CA ASN A 623 4.465 0.988 -8.545 1.00 1.33 C ATOM 377 C ASN A 623 4.794 1.909 -9.716 1.00 73.24 C ATOM 378 O ASN A 623 5.820 1.749 -10.378 1.00 3.24 O ATOM 379 CB ASN A 623 4.382 -0.460 -9.028 1.00 32.55 C ATOM 380 CG ASN A 623 5.679 -0.937 -9.654 1.00 54.44 C ATOM 381 OD1 ASN A 623 5.676 -1.552 -10.720 1.00 61.21 O ATOM 382 ND2 ASN A 623 6.794 -0.653 -8.992 1.00 43.23 N ATOM 0 H ASN A 623 2.387 0.909 -8.276 1.00 3.44 H new ATOM 0 HA ASN A 623 5.261 1.072 -7.805 1.00 1.33 H new ATOM 0 HB2 ASN A 623 4.128 -1.106 -8.188 1.00 32.55 H new ATOM 0 HB3 ASN A 623 3.576 -0.552 -9.756 1.00 32.55 H new ATOM 0 HD21 ASN A 623 7.697 -0.947 -9.364 1.00 43.23 H new ATOM 0 HD22 ASN A 623 6.748 -0.141 -8.111 1.00 43.23 H new ATOM 389 N LYS A 624 3.915 2.873 -9.968 1.00 42.34 N ATOM 390 CA LYS A 624 4.110 3.821 -11.059 1.00 63.01 C ATOM 391 C LYS A 624 4.646 5.150 -10.535 1.00 35.31 C ATOM 392 O LYS A 624 5.365 5.861 -11.238 1.00 2.44 O ATOM 393 CB LYS A 624 2.795 4.048 -11.807 1.00 51.12 C ATOM 394 CG LYS A 624 2.982 4.548 -13.229 1.00 62.33 C ATOM 395 CD LYS A 624 3.706 3.525 -14.089 1.00 32.43 C ATOM 396 CE LYS A 624 3.349 3.680 -15.559 1.00 61.22 C ATOM 397 NZ LYS A 624 3.783 2.504 -16.364 1.00 5.14 N ATOM 0 H LYS A 624 3.060 3.019 -9.431 1.00 42.34 H new ATOM 0 HA LYS A 624 4.843 3.399 -11.747 1.00 63.01 H new ATOM 0 HB2 LYS A 624 2.234 3.114 -11.830 1.00 51.12 H new ATOM 0 HB3 LYS A 624 2.192 4.768 -11.254 1.00 51.12 H new ATOM 0 HG2 LYS A 624 2.010 4.771 -13.668 1.00 62.33 H new ATOM 0 HG3 LYS A 624 3.547 5.480 -13.217 1.00 62.33 H new ATOM 0 HD2 LYS A 624 4.783 3.637 -13.961 1.00 32.43 H new ATOM 0 HD3 LYS A 624 3.449 2.520 -13.755 1.00 32.43 H new ATOM 0 HE2 LYS A 624 2.271 3.810 -15.659 1.00 61.22 H new ATOM 0 HE3 LYS A 624 3.817 4.582 -15.953 1.00 61.22 H new ATOM 0 HZ1 LYS A 624 3.521 2.649 -17.360 1.00 5.14 H new ATOM 0 HZ2 LYS A 624 4.815 2.394 -16.290 1.00 5.14 H new ATOM 0 HZ3 LYS A 624 3.317 1.646 -16.005 1.00 5.14 H new ATOM 411 N LEU A 625 4.291 5.478 -9.298 1.00 1.20 N ATOM 412 CA LEU A 625 4.737 6.722 -8.679 1.00 65.14 C ATOM 413 C LEU A 625 6.229 6.670 -8.366 1.00 12.21 C ATOM 414 O LEU A 625 6.825 5.600 -8.237 1.00 14.14 O ATOM 415 CB LEU A 625 3.945 6.990 -7.398 1.00 51.01 C ATOM 416 CG LEU A 625 3.807 5.811 -6.434 1.00 51.24 C ATOM 417 CD1 LEU A 625 5.165 5.421 -5.872 1.00 60.25 C ATOM 418 CD2 LEU A 625 2.840 6.151 -5.310 1.00 41.05 C ATOM 0 H LEU A 625 3.696 4.901 -8.704 1.00 1.20 H new ATOM 0 HA LEU A 625 4.560 7.534 -9.385 1.00 65.14 H new ATOM 0 HB2 LEU A 625 4.421 7.814 -6.866 1.00 51.01 H new ATOM 0 HB3 LEU A 625 2.946 7.325 -7.676 1.00 51.01 H new ATOM 0 HG LEU A 625 3.406 4.960 -6.985 1.00 51.24 H new ATOM 0 HD11 LEU A 625 5.048 4.580 -5.188 1.00 60.25 H new ATOM 0 HD12 LEU A 625 5.828 5.135 -6.688 1.00 60.25 H new ATOM 0 HD13 LEU A 625 5.594 6.268 -5.336 1.00 60.25 H new ATOM 0 HD21 LEU A 625 2.754 5.300 -4.634 1.00 41.05 H new ATOM 0 HD22 LEU A 625 3.211 7.016 -4.760 1.00 41.05 H new ATOM 0 HD23 LEU A 625 1.861 6.381 -5.730 1.00 41.05 H new ATOM 430 N PRO A 626 6.849 7.853 -8.238 1.00 32.21 N ATOM 431 CA PRO A 626 8.279 7.969 -7.936 1.00 12.03 C ATOM 432 C PRO A 626 8.607 7.533 -6.512 1.00 30.52 C ATOM 433 O PRO A 626 7.721 7.423 -5.665 1.00 40.22 O ATOM 434 CB PRO A 626 8.559 9.463 -8.115 1.00 12.04 C ATOM 435 CG PRO A 626 7.246 10.126 -7.877 1.00 61.23 C ATOM 436 CD PRO A 626 6.202 9.168 -8.378 1.00 74.24 C ATOM 0 HA PRO A 626 8.885 7.328 -8.577 1.00 12.03 H new ATOM 0 HB2 PRO A 626 9.312 9.812 -7.409 1.00 12.04 H new ATOM 0 HB3 PRO A 626 8.936 9.678 -9.115 1.00 12.04 H new ATOM 0 HG2 PRO A 626 7.103 10.340 -6.818 1.00 61.23 H new ATOM 0 HG3 PRO A 626 7.188 11.078 -8.405 1.00 61.23 H new ATOM 0 HD2 PRO A 626 5.286 9.229 -7.791 1.00 74.24 H new ATOM 0 HD3 PRO A 626 5.931 9.374 -9.414 1.00 74.24 H new ATOM 444 N GLY A 627 9.888 7.284 -6.255 1.00 21.35 N ATOM 445 CA GLY A 627 10.310 6.863 -4.932 1.00 23.42 C ATOM 446 C GLY A 627 9.782 7.770 -3.837 1.00 63.14 C ATOM 447 O GLY A 627 9.294 7.296 -2.812 1.00 44.13 O ATOM 0 H GLY A 627 10.640 7.366 -6.939 1.00 21.35 H new ATOM 0 HA2 GLY A 627 9.967 5.844 -4.752 1.00 23.42 H new ATOM 0 HA3 GLY A 627 11.399 6.845 -4.890 1.00 23.42 H new ATOM 451 N GLU A 628 9.882 9.077 -4.056 1.00 70.43 N ATOM 452 CA GLU A 628 9.413 10.052 -3.079 1.00 70.10 C ATOM 453 C GLU A 628 7.995 9.725 -2.622 1.00 53.22 C ATOM 454 O GLU A 628 7.664 9.854 -1.443 1.00 51.13 O ATOM 455 CB GLU A 628 9.458 11.462 -3.670 1.00 50.14 C ATOM 456 CG GLU A 628 9.232 12.561 -2.644 1.00 62.33 C ATOM 457 CD GLU A 628 10.477 12.867 -1.834 1.00 52.20 C ATOM 458 OE1 GLU A 628 11.246 11.924 -1.551 1.00 1.51 O ATOM 459 OE2 GLU A 628 10.681 14.047 -1.482 1.00 50.20 O ATOM 0 H GLU A 628 10.283 9.485 -4.900 1.00 70.43 H new ATOM 0 HA GLU A 628 10.074 10.008 -2.214 1.00 70.10 H new ATOM 0 HB2 GLU A 628 10.426 11.616 -4.147 1.00 50.14 H new ATOM 0 HB3 GLU A 628 8.701 11.544 -4.450 1.00 50.14 H new ATOM 0 HG2 GLU A 628 8.903 13.467 -3.154 1.00 62.33 H new ATOM 0 HG3 GLU A 628 8.428 12.264 -1.970 1.00 62.33 H new ATOM 466 N LYS A 629 7.159 9.302 -3.564 1.00 40.02 N ATOM 467 CA LYS A 629 5.775 8.956 -3.262 1.00 74.32 C ATOM 468 C LYS A 629 5.705 7.704 -2.393 1.00 50.20 C ATOM 469 O LYS A 629 4.874 7.609 -1.489 1.00 12.34 O ATOM 470 CB LYS A 629 4.988 8.736 -4.556 1.00 22.12 C ATOM 471 CG LYS A 629 4.600 10.026 -5.258 1.00 42.34 C ATOM 472 CD LYS A 629 3.581 10.815 -4.454 1.00 24.53 C ATOM 473 CE LYS A 629 2.282 10.042 -4.289 1.00 75.32 C ATOM 474 NZ LYS A 629 1.220 10.872 -3.654 1.00 31.44 N ATOM 0 H LYS A 629 7.416 9.190 -4.545 1.00 40.02 H new ATOM 0 HA LYS A 629 5.331 9.785 -2.711 1.00 74.32 H new ATOM 0 HB2 LYS A 629 5.585 8.128 -5.236 1.00 22.12 H new ATOM 0 HB3 LYS A 629 4.085 8.169 -4.330 1.00 22.12 H new ATOM 0 HG2 LYS A 629 5.489 10.636 -5.418 1.00 42.34 H new ATOM 0 HG3 LYS A 629 4.190 9.797 -6.241 1.00 42.34 H new ATOM 0 HD2 LYS A 629 3.993 11.050 -3.473 1.00 24.53 H new ATOM 0 HD3 LYS A 629 3.380 11.764 -4.951 1.00 24.53 H new ATOM 0 HE2 LYS A 629 1.939 9.696 -5.264 1.00 75.32 H new ATOM 0 HE3 LYS A 629 2.462 9.155 -3.682 1.00 75.32 H new ATOM 0 HZ1 LYS A 629 1.059 10.544 -2.680 1.00 31.44 H new ATOM 0 HZ2 LYS A 629 1.520 11.868 -3.639 1.00 31.44 H new ATOM 0 HZ3 LYS A 629 0.339 10.785 -4.199 1.00 31.44 H new ATOM 488 N LEU A 630 6.584 6.747 -2.671 1.00 32.44 N ATOM 489 CA LEU A 630 6.622 5.501 -1.914 1.00 21.44 C ATOM 490 C LEU A 630 6.776 5.776 -0.421 1.00 25.41 C ATOM 491 O LEU A 630 5.918 5.408 0.380 1.00 1.54 O ATOM 492 CB LEU A 630 7.773 4.619 -2.403 1.00 42.31 C ATOM 493 CG LEU A 630 7.397 3.198 -2.824 1.00 5.22 C ATOM 494 CD1 LEU A 630 7.812 2.941 -4.263 1.00 73.15 C ATOM 495 CD2 LEU A 630 8.038 2.180 -1.892 1.00 73.32 C ATOM 0 H LEU A 630 7.279 6.810 -3.415 1.00 32.44 H new ATOM 0 HA LEU A 630 5.679 4.978 -2.073 1.00 21.44 H new ATOM 0 HB2 LEU A 630 8.249 5.114 -3.250 1.00 42.31 H new ATOM 0 HB3 LEU A 630 8.519 4.556 -1.610 1.00 42.31 H new ATOM 0 HG LEU A 630 6.314 3.093 -2.756 1.00 5.22 H new ATOM 0 HD11 LEU A 630 7.536 1.925 -4.545 1.00 73.15 H new ATOM 0 HD12 LEU A 630 7.307 3.650 -4.919 1.00 73.15 H new ATOM 0 HD13 LEU A 630 8.891 3.064 -4.358 1.00 73.15 H new ATOM 0 HD21 LEU A 630 7.760 1.174 -2.206 1.00 73.32 H new ATOM 0 HD22 LEU A 630 9.122 2.285 -1.929 1.00 73.32 H new ATOM 0 HD23 LEU A 630 7.691 2.351 -0.873 1.00 73.32 H new ATOM 507 N GLY A 631 7.876 6.427 -0.055 1.00 22.22 N ATOM 508 CA GLY A 631 8.122 6.743 1.341 1.00 62.42 C ATOM 509 C GLY A 631 6.905 7.334 2.024 1.00 13.33 C ATOM 510 O GLY A 631 6.655 7.069 3.200 1.00 72.42 O ATOM 0 H GLY A 631 8.601 6.741 -0.700 1.00 22.22 H new ATOM 0 HA2 GLY A 631 8.427 5.838 1.867 1.00 62.42 H new ATOM 0 HA3 GLY A 631 8.952 7.447 1.410 1.00 62.42 H new ATOM 514 N ARG A 632 6.148 8.140 1.286 1.00 11.43 N ATOM 515 CA ARG A 632 4.953 8.775 1.830 1.00 21.50 C ATOM 516 C ARG A 632 3.813 7.768 1.956 1.00 74.41 C ATOM 517 O ARG A 632 3.181 7.656 3.007 1.00 43.34 O ATOM 518 CB ARG A 632 4.521 9.942 0.942 1.00 53.20 C ATOM 519 CG ARG A 632 4.895 11.305 1.502 1.00 34.12 C ATOM 520 CD ARG A 632 5.974 11.974 0.665 1.00 60.42 C ATOM 521 NE ARG A 632 6.609 13.081 1.375 1.00 23.32 N ATOM 522 CZ ARG A 632 6.007 14.238 1.620 1.00 13.21 C ATOM 523 NH1 ARG A 632 4.761 14.440 1.216 1.00 52.05 N ATOM 524 NH2 ARG A 632 6.652 15.198 2.272 1.00 35.33 N ATOM 0 H ARG A 632 6.341 8.369 0.311 1.00 11.43 H new ATOM 0 HA ARG A 632 5.193 9.153 2.824 1.00 21.50 H new ATOM 0 HB2 ARG A 632 4.975 9.826 -0.042 1.00 53.20 H new ATOM 0 HB3 ARG A 632 3.441 9.900 0.802 1.00 53.20 H new ATOM 0 HG2 ARG A 632 4.011 11.942 1.534 1.00 34.12 H new ATOM 0 HG3 ARG A 632 5.245 11.194 2.528 1.00 34.12 H new ATOM 0 HD2 ARG A 632 6.730 11.238 0.392 1.00 60.42 H new ATOM 0 HD3 ARG A 632 5.537 12.342 -0.263 1.00 60.42 H new ATOM 0 HE ARG A 632 7.568 12.958 1.700 1.00 23.32 H new ATOM 0 HH11 ARG A 632 4.262 13.705 0.715 1.00 52.05 H new ATOM 0 HH12 ARG A 632 4.301 15.330 1.406 1.00 52.05 H new ATOM 0 HH21 ARG A 632 7.611 15.047 2.585 1.00 35.33 H new ATOM 0 HH22 ARG A 632 6.189 16.087 2.460 1.00 35.33 H new ATOM 538 N VAL A 633 3.554 7.036 0.876 1.00 21.21 N ATOM 539 CA VAL A 633 2.491 6.038 0.866 1.00 71.02 C ATOM 540 C VAL A 633 2.805 4.890 1.817 1.00 4.25 C ATOM 541 O VAL A 633 2.034 4.598 2.731 1.00 21.52 O ATOM 542 CB VAL A 633 2.268 5.471 -0.549 1.00 2.43 C ATOM 543 CG1 VAL A 633 1.183 4.405 -0.532 1.00 54.41 C ATOM 544 CG2 VAL A 633 1.916 6.587 -1.520 1.00 72.12 C ATOM 0 H VAL A 633 4.066 7.116 -0.003 1.00 21.21 H new ATOM 0 HA VAL A 633 1.582 6.541 1.196 1.00 71.02 H new ATOM 0 HB VAL A 633 3.195 5.006 -0.886 1.00 2.43 H new ATOM 0 HG11 VAL A 633 1.039 4.016 -1.540 1.00 54.41 H new ATOM 0 HG12 VAL A 633 1.481 3.593 0.131 1.00 54.41 H new ATOM 0 HG13 VAL A 633 0.250 4.841 -0.175 1.00 54.41 H new ATOM 0 HG21 VAL A 633 1.762 6.169 -2.515 1.00 72.12 H new ATOM 0 HG22 VAL A 633 1.003 7.083 -1.189 1.00 72.12 H new ATOM 0 HG23 VAL A 633 2.730 7.311 -1.553 1.00 72.12 H new ATOM 554 N VAL A 634 3.945 4.241 1.599 1.00 51.24 N ATOM 555 CA VAL A 634 4.363 3.125 2.438 1.00 2.22 C ATOM 556 C VAL A 634 4.249 3.477 3.917 1.00 51.44 C ATOM 557 O VAL A 634 3.957 2.618 4.750 1.00 42.33 O ATOM 558 CB VAL A 634 5.814 2.706 2.132 1.00 33.50 C ATOM 559 CG1 VAL A 634 6.001 2.486 0.638 1.00 24.32 C ATOM 560 CG2 VAL A 634 6.791 3.748 2.653 1.00 71.32 C ATOM 0 H VAL A 634 4.596 4.470 0.847 1.00 51.24 H new ATOM 0 HA VAL A 634 3.697 2.292 2.213 1.00 2.22 H new ATOM 0 HB VAL A 634 6.018 1.765 2.642 1.00 33.50 H new ATOM 0 HG11 VAL A 634 7.031 2.191 0.440 1.00 24.32 H new ATOM 0 HG12 VAL A 634 5.327 1.700 0.299 1.00 24.32 H new ATOM 0 HG13 VAL A 634 5.779 3.410 0.104 1.00 24.32 H new ATOM 0 HG21 VAL A 634 7.811 3.435 2.428 1.00 71.32 H new ATOM 0 HG22 VAL A 634 6.591 4.706 2.173 1.00 71.32 H new ATOM 0 HG23 VAL A 634 6.673 3.851 3.732 1.00 71.32 H new ATOM 570 N HIS A 635 4.481 4.746 4.237 1.00 4.14 N ATOM 571 CA HIS A 635 4.404 5.213 5.617 1.00 0.23 C ATOM 572 C HIS A 635 2.980 5.092 6.152 1.00 65.14 C ATOM 573 O HIS A 635 2.769 4.677 7.293 1.00 60.23 O ATOM 574 CB HIS A 635 4.875 6.664 5.714 1.00 1.43 C ATOM 575 CG HIS A 635 4.770 7.237 7.094 1.00 43.33 C ATOM 576 ND1 HIS A 635 5.679 6.962 8.094 1.00 22.13 N ATOM 577 CD2 HIS A 635 3.858 8.076 7.637 1.00 1.44 C ATOM 578 CE1 HIS A 635 5.329 7.605 9.194 1.00 72.13 C ATOM 579 NE2 HIS A 635 4.227 8.290 8.942 1.00 33.33 N ATOM 0 H HIS A 635 4.724 5.469 3.560 1.00 4.14 H new ATOM 0 HA HIS A 635 5.057 4.586 6.224 1.00 0.23 H new ATOM 0 HB2 HIS A 635 5.912 6.724 5.383 1.00 1.43 H new ATOM 0 HB3 HIS A 635 4.286 7.275 5.030 1.00 1.43 H new ATOM 0 HD2 HIS A 635 2.999 8.499 7.137 1.00 1.44 H new ATOM 0 HE1 HIS A 635 5.854 7.576 10.138 1.00 72.13 H new ATOM 0 HE2 HIS A 635 3.731 8.882 9.609 1.00 33.33 H new ATOM 587 N ILE A 636 2.009 5.456 5.322 1.00 33.30 N ATOM 588 CA ILE A 636 0.605 5.387 5.713 1.00 23.42 C ATOM 589 C ILE A 636 0.244 3.994 6.219 1.00 11.51 C ATOM 590 O ILE A 636 -0.321 3.845 7.303 1.00 60.11 O ATOM 591 CB ILE A 636 -0.324 5.752 4.540 1.00 42.25 C ATOM 592 CG1 ILE A 636 0.238 6.947 3.768 1.00 43.31 C ATOM 593 CG2 ILE A 636 -1.725 6.055 5.049 1.00 4.33 C ATOM 594 CD1 ILE A 636 -0.812 7.721 3.002 1.00 32.23 C ATOM 0 H ILE A 636 2.167 5.801 4.375 1.00 33.30 H new ATOM 0 HA ILE A 636 0.464 6.111 6.516 1.00 23.42 H new ATOM 0 HB ILE A 636 -0.381 4.900 3.862 1.00 42.25 H new ATOM 0 HG12 ILE A 636 0.735 7.619 4.467 1.00 43.31 H new ATOM 0 HG13 ILE A 636 0.998 6.594 3.071 1.00 43.31 H new ATOM 0 HG21 ILE A 636 -2.370 6.311 4.208 1.00 4.33 H new ATOM 0 HG22 ILE A 636 -2.124 5.178 5.559 1.00 4.33 H new ATOM 0 HG23 ILE A 636 -1.686 6.893 5.745 1.00 4.33 H new ATOM 0 HD11 ILE A 636 -0.341 8.553 2.479 1.00 32.23 H new ATOM 0 HD12 ILE A 636 -1.293 7.063 2.278 1.00 32.23 H new ATOM 0 HD13 ILE A 636 -1.560 8.105 3.696 1.00 32.23 H new ATOM 606 N ILE A 637 0.573 2.979 5.428 1.00 42.30 N ATOM 607 CA ILE A 637 0.286 1.599 5.798 1.00 13.25 C ATOM 608 C ILE A 637 0.797 1.288 7.200 1.00 22.04 C ATOM 609 O ILE A 637 0.016 1.006 8.108 1.00 74.22 O ATOM 610 CB ILE A 637 0.914 0.606 4.802 1.00 53.22 C ATOM 611 CG1 ILE A 637 0.089 0.552 3.514 1.00 4.22 C ATOM 612 CG2 ILE A 637 1.022 -0.775 5.428 1.00 35.43 C ATOM 613 CD1 ILE A 637 0.753 1.240 2.342 1.00 11.32 C ATOM 0 H ILE A 637 1.039 3.086 4.527 1.00 42.30 H new ATOM 0 HA ILE A 637 -0.798 1.486 5.776 1.00 13.25 H new ATOM 0 HB ILE A 637 1.918 0.949 4.553 1.00 53.22 H new ATOM 0 HG12 ILE A 637 -0.098 -0.490 3.255 1.00 4.22 H new ATOM 0 HG13 ILE A 637 -0.882 1.014 3.694 1.00 4.22 H new ATOM 0 HG21 ILE A 637 1.468 -1.465 4.712 1.00 35.43 H new ATOM 0 HG22 ILE A 637 1.648 -0.723 6.319 1.00 35.43 H new ATOM 0 HG23 ILE A 637 0.028 -1.129 5.703 1.00 35.43 H new ATOM 0 HD11 ILE A 637 0.112 1.162 1.464 1.00 11.32 H new ATOM 0 HD12 ILE A 637 0.915 2.291 2.581 1.00 11.32 H new ATOM 0 HD13 ILE A 637 1.711 0.763 2.135 1.00 11.32 H new ATOM 625 N GLN A 638 2.115 1.342 7.370 1.00 71.14 N ATOM 626 CA GLN A 638 2.731 1.066 8.662 1.00 35.41 C ATOM 627 C GLN A 638 2.147 1.966 9.745 1.00 20.44 C ATOM 628 O GLN A 638 2.207 1.644 10.933 1.00 64.43 O ATOM 629 CB GLN A 638 4.246 1.263 8.580 1.00 32.41 C ATOM 630 CG GLN A 638 4.655 2.609 8.007 1.00 63.13 C ATOM 631 CD GLN A 638 6.154 2.829 8.046 1.00 60.21 C ATOM 632 OE1 GLN A 638 6.727 3.088 9.105 1.00 23.01 O ATOM 633 NE2 GLN A 638 6.799 2.727 6.889 1.00 33.12 N ATOM 0 H GLN A 638 2.776 1.574 6.629 1.00 71.14 H new ATOM 0 HA GLN A 638 2.520 0.029 8.924 1.00 35.41 H new ATOM 0 HB2 GLN A 638 4.672 1.158 9.578 1.00 32.41 H new ATOM 0 HB3 GLN A 638 4.674 0.471 7.966 1.00 32.41 H new ATOM 0 HG2 GLN A 638 4.308 2.681 6.976 1.00 63.13 H new ATOM 0 HG3 GLN A 638 4.160 3.403 8.566 1.00 63.13 H new ATOM 0 HE21 GLN A 638 6.284 2.511 6.035 1.00 33.12 H new ATOM 0 HE22 GLN A 638 7.809 2.865 6.854 1.00 33.12 H new ATOM 642 N SER A 639 1.583 3.095 9.330 1.00 54.02 N ATOM 643 CA SER A 639 0.991 4.044 10.267 1.00 50.13 C ATOM 644 C SER A 639 -0.274 3.469 10.896 1.00 35.40 C ATOM 645 O SER A 639 -0.573 3.726 12.062 1.00 1.42 O ATOM 646 CB SER A 639 0.669 5.360 9.556 1.00 73.32 C ATOM 647 OG SER A 639 -0.718 5.645 9.617 1.00 10.31 O ATOM 0 H SER A 639 1.523 3.376 8.351 1.00 54.02 H new ATOM 0 HA SER A 639 1.715 4.235 11.060 1.00 50.13 H new ATOM 0 HB2 SER A 639 1.231 6.173 10.016 1.00 73.32 H new ATOM 0 HB3 SER A 639 0.986 5.302 8.515 1.00 73.32 H new ATOM 0 HG SER A 639 -0.899 6.491 9.157 1.00 10.31 H new ATOM 653 N ARG A 640 -1.014 2.689 10.114 1.00 12.23 N ATOM 654 CA ARG A 640 -2.249 2.078 10.594 1.00 23.13 C ATOM 655 C ARG A 640 -2.176 0.557 10.494 1.00 54.04 C ATOM 656 O ARG A 640 -3.200 -0.125 10.532 1.00 54.11 O ATOM 657 CB ARG A 640 -3.444 2.597 9.793 1.00 35.11 C ATOM 658 CG ARG A 640 -3.644 4.100 9.902 1.00 71.32 C ATOM 659 CD ARG A 640 -4.905 4.548 9.178 1.00 1.44 C ATOM 660 NE ARG A 640 -5.710 5.453 9.993 1.00 12.20 N ATOM 661 CZ ARG A 640 -6.623 6.278 9.491 1.00 1.43 C ATOM 662 NH1 ARG A 640 -6.844 6.311 8.184 1.00 43.42 N ATOM 663 NH2 ARG A 640 -7.316 7.072 10.297 1.00 34.30 N ATOM 0 H ARG A 640 -0.780 2.465 9.147 1.00 12.23 H new ATOM 0 HA ARG A 640 -2.378 2.350 11.642 1.00 23.13 H new ATOM 0 HB2 ARG A 640 -3.310 2.332 8.744 1.00 35.11 H new ATOM 0 HB3 ARG A 640 -4.347 2.093 10.136 1.00 35.11 H new ATOM 0 HG2 ARG A 640 -3.705 4.385 10.952 1.00 71.32 H new ATOM 0 HG3 ARG A 640 -2.780 4.615 9.482 1.00 71.32 H new ATOM 0 HD2 ARG A 640 -4.632 5.044 8.247 1.00 1.44 H new ATOM 0 HD3 ARG A 640 -5.500 3.674 8.911 1.00 1.44 H new ATOM 0 HE ARG A 640 -5.564 5.452 11.002 1.00 12.20 H new ATOM 0 HH11 ARG A 640 -6.313 5.702 7.561 1.00 43.42 H new ATOM 0 HH12 ARG A 640 -7.545 6.945 7.801 1.00 43.42 H new ATOM 0 HH21 ARG A 640 -7.148 7.050 11.303 1.00 34.30 H new ATOM 0 HH22 ARG A 640 -8.017 7.705 9.911 1.00 34.30 H new ATOM 677 N GLU A 641 -0.962 0.034 10.364 1.00 1.15 N ATOM 678 CA GLU A 641 -0.758 -1.406 10.258 1.00 42.21 C ATOM 679 C GLU A 641 -0.091 -1.955 11.515 1.00 60.21 C ATOM 680 O GLU A 641 1.134 -1.984 11.637 1.00 12.52 O ATOM 681 CB GLU A 641 0.096 -1.732 9.030 1.00 31.12 C ATOM 682 CG GLU A 641 0.330 -3.220 8.830 1.00 21.35 C ATOM 683 CD GLU A 641 -0.770 -3.881 8.023 1.00 42.32 C ATOM 684 OE1 GLU A 641 -1.868 -3.295 7.925 1.00 54.25 O ATOM 685 OE2 GLU A 641 -0.533 -4.984 7.489 1.00 63.14 O ATOM 0 H GLU A 641 -0.105 0.585 10.329 1.00 1.15 H new ATOM 0 HA GLU A 641 -1.734 -1.879 10.150 1.00 42.21 H new ATOM 0 HB2 GLU A 641 -0.389 -1.326 8.142 1.00 31.12 H new ATOM 0 HB3 GLU A 641 1.059 -1.231 9.124 1.00 31.12 H new ATOM 0 HG2 GLU A 641 1.285 -3.369 8.326 1.00 21.35 H new ATOM 0 HG3 GLU A 641 0.404 -3.706 9.803 1.00 21.35 H new ATOM 692 N PRO A 642 -0.916 -2.404 12.474 1.00 43.55 N ATOM 693 CA PRO A 642 -0.429 -2.960 13.739 1.00 20.41 C ATOM 694 C PRO A 642 0.248 -4.314 13.554 1.00 3.42 C ATOM 695 O PRO A 642 1.246 -4.614 14.210 1.00 3.43 O ATOM 696 CB PRO A 642 -1.704 -3.111 14.574 1.00 12.00 C ATOM 697 CG PRO A 642 -2.799 -3.241 13.572 1.00 1.43 C ATOM 698 CD PRO A 642 -2.386 -2.400 12.396 1.00 13.42 C ATOM 0 HA PRO A 642 0.327 -2.324 14.200 1.00 20.41 H new ATOM 0 HB2 PRO A 642 -1.653 -3.987 15.220 1.00 12.00 H new ATOM 0 HB3 PRO A 642 -1.859 -2.247 15.220 1.00 12.00 H new ATOM 0 HG2 PRO A 642 -2.938 -4.281 13.278 1.00 1.43 H new ATOM 0 HG3 PRO A 642 -3.748 -2.897 13.984 1.00 1.43 H new ATOM 0 HD2 PRO A 642 -2.740 -2.823 11.456 1.00 13.42 H new ATOM 0 HD3 PRO A 642 -2.789 -1.390 12.463 1.00 13.42 H new ATOM 706 N SER A 643 -0.298 -5.127 12.657 1.00 75.43 N ATOM 707 CA SER A 643 0.252 -6.450 12.388 1.00 72.13 C ATOM 708 C SER A 643 1.731 -6.359 12.024 1.00 74.41 C ATOM 709 O SER A 643 2.512 -7.264 12.323 1.00 52.11 O ATOM 710 CB SER A 643 -0.523 -7.128 11.256 1.00 73.52 C ATOM 711 OG SER A 643 -0.587 -8.530 11.451 1.00 73.04 O ATOM 0 H SER A 643 -1.122 -4.893 12.103 1.00 75.43 H new ATOM 0 HA SER A 643 0.154 -7.048 13.294 1.00 72.13 H new ATOM 0 HB2 SER A 643 -1.532 -6.718 11.205 1.00 73.52 H new ATOM 0 HB3 SER A 643 -0.043 -6.912 10.302 1.00 73.52 H new ATOM 0 HG SER A 643 -1.089 -8.940 10.716 1.00 73.04 H new ATOM 717 N LEU A 644 2.107 -5.263 11.376 1.00 31.22 N ATOM 718 CA LEU A 644 3.493 -5.052 10.970 1.00 31.51 C ATOM 719 C LEU A 644 4.442 -5.252 12.147 1.00 1.53 C ATOM 720 O LEU A 644 4.587 -4.373 12.998 1.00 50.24 O ATOM 721 CB LEU A 644 3.667 -3.647 10.391 1.00 4.24 C ATOM 722 CG LEU A 644 5.106 -3.143 10.276 1.00 54.22 C ATOM 723 CD1 LEU A 644 5.352 -2.543 8.900 1.00 65.22 C ATOM 724 CD2 LEU A 644 5.403 -2.121 11.365 1.00 21.42 C ATOM 0 H LEU A 644 1.473 -4.506 11.120 1.00 31.22 H new ATOM 0 HA LEU A 644 3.737 -5.787 10.203 1.00 31.51 H new ATOM 0 HB2 LEU A 644 3.215 -3.626 9.399 1.00 4.24 H new ATOM 0 HB3 LEU A 644 3.107 -2.948 11.012 1.00 4.24 H new ATOM 0 HG LEU A 644 5.779 -3.990 10.407 1.00 54.22 H new ATOM 0 HD11 LEU A 644 6.381 -2.189 8.836 1.00 65.22 H new ATOM 0 HD12 LEU A 644 5.181 -3.302 8.136 1.00 65.22 H new ATOM 0 HD13 LEU A 644 4.671 -1.707 8.740 1.00 65.22 H new ATOM 0 HD21 LEU A 644 6.432 -1.774 11.267 1.00 21.42 H new ATOM 0 HD22 LEU A 644 4.723 -1.275 11.265 1.00 21.42 H new ATOM 0 HD23 LEU A 644 5.267 -2.582 12.343 1.00 21.42 H new ATOM 736 N LYS A 645 5.087 -6.412 12.190 1.00 43.23 N ATOM 737 CA LYS A 645 6.026 -6.728 13.259 1.00 13.42 C ATOM 738 C LYS A 645 7.463 -6.713 12.745 1.00 13.23 C ATOM 739 O LYS A 645 8.295 -7.506 13.181 1.00 33.51 O ATOM 740 CB LYS A 645 5.703 -8.096 13.863 1.00 53.44 C ATOM 741 CG LYS A 645 5.915 -8.164 15.366 1.00 53.14 C ATOM 742 CD LYS A 645 4.660 -7.767 16.124 1.00 13.34 C ATOM 743 CE LYS A 645 4.950 -7.528 17.598 1.00 63.10 C ATOM 744 NZ LYS A 645 3.701 -7.346 18.388 1.00 41.13 N ATOM 0 H LYS A 645 4.976 -7.151 11.495 1.00 43.23 H new ATOM 0 HA LYS A 645 5.928 -5.965 14.031 1.00 13.42 H new ATOM 0 HB2 LYS A 645 4.666 -8.347 13.639 1.00 53.44 H new ATOM 0 HB3 LYS A 645 6.324 -8.852 13.382 1.00 53.44 H new ATOM 0 HG2 LYS A 645 6.207 -9.176 15.648 1.00 53.14 H new ATOM 0 HG3 LYS A 645 6.736 -7.505 15.649 1.00 53.14 H new ATOM 0 HD2 LYS A 645 4.239 -6.863 15.684 1.00 13.34 H new ATOM 0 HD3 LYS A 645 3.909 -8.551 16.022 1.00 13.34 H new ATOM 0 HE2 LYS A 645 5.513 -8.371 17.998 1.00 63.10 H new ATOM 0 HE3 LYS A 645 5.579 -6.645 17.705 1.00 63.10 H new ATOM 0 HZ1 LYS A 645 3.942 -7.186 19.387 1.00 41.13 H new ATOM 0 HZ2 LYS A 645 3.176 -6.526 18.023 1.00 41.13 H new ATOM 0 HZ3 LYS A 645 3.111 -8.199 18.307 1.00 41.13 H new ATOM 758 N ASN A 646 7.745 -5.804 11.818 1.00 11.01 N ATOM 759 CA ASN A 646 9.081 -5.686 11.247 1.00 45.34 C ATOM 760 C ASN A 646 10.055 -5.089 12.258 1.00 20.11 C ATOM 761 O ASN A 646 9.926 -3.930 12.651 1.00 50.00 O ATOM 762 CB ASN A 646 9.044 -4.820 9.986 1.00 44.41 C ATOM 763 CG ASN A 646 8.503 -5.570 8.785 1.00 54.24 C ATOM 764 OD1 ASN A 646 8.890 -6.709 8.524 1.00 41.33 O ATOM 765 ND2 ASN A 646 7.601 -4.933 8.046 1.00 53.41 N ATOM 0 H ASN A 646 7.067 -5.139 11.446 1.00 11.01 H new ATOM 0 HA ASN A 646 9.426 -6.686 10.984 1.00 45.34 H new ATOM 0 HB2 ASN A 646 8.426 -3.941 10.170 1.00 44.41 H new ATOM 0 HB3 ASN A 646 10.050 -4.462 9.765 1.00 44.41 H new ATOM 0 HD21 ASN A 646 7.201 -5.388 7.226 1.00 53.41 H new ATOM 0 HD22 ASN A 646 7.309 -3.989 8.299 1.00 53.41 H new ATOM 772 N SER A 647 11.030 -5.890 12.675 1.00 62.23 N ATOM 773 CA SER A 647 12.025 -5.443 13.643 1.00 22.23 C ATOM 774 C SER A 647 12.760 -4.207 13.136 1.00 42.42 C ATOM 775 O SER A 647 13.170 -3.350 13.918 1.00 54.52 O ATOM 776 CB SER A 647 13.027 -6.563 13.931 1.00 21.41 C ATOM 777 OG SER A 647 13.792 -6.872 12.779 1.00 74.52 O ATOM 0 H SER A 647 11.152 -6.852 12.358 1.00 62.23 H new ATOM 0 HA SER A 647 11.506 -5.183 14.566 1.00 22.23 H new ATOM 0 HB2 SER A 647 13.690 -6.262 14.742 1.00 21.41 H new ATOM 0 HB3 SER A 647 12.495 -7.453 14.268 1.00 21.41 H new ATOM 0 HG SER A 647 14.426 -7.589 12.990 1.00 74.52 H new ATOM 783 N ASN A 648 12.923 -4.122 11.819 1.00 25.11 N ATOM 784 CA ASN A 648 13.609 -2.990 11.206 1.00 63.42 C ATOM 785 C ASN A 648 12.622 -2.089 10.470 1.00 61.21 C ATOM 786 O ASN A 648 11.730 -2.554 9.760 1.00 12.14 O ATOM 787 CB ASN A 648 14.686 -3.485 10.237 1.00 11.30 C ATOM 788 CG ASN A 648 14.097 -4.070 8.967 1.00 32.34 C ATOM 789 OD1 ASN A 648 13.565 -5.181 8.972 1.00 0.41 O ATOM 790 ND2 ASN A 648 14.188 -3.323 7.874 1.00 64.04 N ATOM 0 H ASN A 648 12.590 -4.823 11.157 1.00 25.11 H new ATOM 0 HA ASN A 648 14.081 -2.410 11.999 1.00 63.42 H new ATOM 0 HB2 ASN A 648 15.347 -2.658 9.980 1.00 11.30 H new ATOM 0 HB3 ASN A 648 15.297 -4.240 10.732 1.00 11.30 H new ATOM 0 HD21 ASN A 648 13.808 -3.663 6.991 1.00 64.04 H new ATOM 0 HD22 ASN A 648 14.638 -2.408 7.917 1.00 64.04 H new ATOM 797 N PRO A 649 12.785 -0.769 10.642 1.00 20.40 N ATOM 798 CA PRO A 649 11.919 0.225 10.002 1.00 72.01 C ATOM 799 C PRO A 649 12.133 0.296 8.494 1.00 72.32 C ATOM 800 O PRO A 649 11.398 0.982 7.785 1.00 75.10 O ATOM 801 CB PRO A 649 12.338 1.540 10.664 1.00 1.10 C ATOM 802 CG PRO A 649 13.742 1.310 11.106 1.00 14.53 C ATOM 803 CD PRO A 649 13.828 -0.146 11.475 1.00 53.55 C ATOM 0 HA PRO A 649 10.863 -0.014 10.128 1.00 72.01 H new ATOM 0 HB2 PRO A 649 12.275 2.373 9.964 1.00 1.10 H new ATOM 0 HB3 PRO A 649 11.692 1.782 11.508 1.00 1.10 H new ATOM 0 HG2 PRO A 649 14.446 1.553 10.310 1.00 14.53 H new ATOM 0 HG3 PRO A 649 13.992 1.944 11.957 1.00 14.53 H new ATOM 0 HD2 PRO A 649 14.814 -0.558 11.260 1.00 53.55 H new ATOM 0 HD3 PRO A 649 13.642 -0.303 12.537 1.00 53.55 H new ATOM 811 N ASP A 650 13.144 -0.417 8.011 1.00 41.22 N ATOM 812 CA ASP A 650 13.455 -0.436 6.586 1.00 12.44 C ATOM 813 C ASP A 650 12.764 -1.608 5.895 1.00 5.00 C ATOM 814 O ASP A 650 13.207 -2.067 4.843 1.00 32.42 O ATOM 815 CB ASP A 650 14.966 -0.521 6.373 1.00 64.11 C ATOM 816 CG ASP A 650 15.748 -0.213 7.635 1.00 55.41 C ATOM 817 OD1 ASP A 650 15.722 0.955 8.077 1.00 24.30 O ATOM 818 OD2 ASP A 650 16.384 -1.138 8.180 1.00 24.25 O ATOM 0 H ASP A 650 13.763 -0.990 8.585 1.00 41.22 H new ATOM 0 HA ASP A 650 13.086 0.491 6.146 1.00 12.44 H new ATOM 0 HB2 ASP A 650 15.225 -1.521 6.024 1.00 64.11 H new ATOM 0 HB3 ASP A 650 15.259 0.177 5.588 1.00 64.11 H new ATOM 823 N GLU A 651 11.679 -2.086 6.495 1.00 30.44 N ATOM 824 CA GLU A 651 10.930 -3.206 5.938 1.00 15.01 C ATOM 825 C GLU A 651 9.436 -3.049 6.208 1.00 52.24 C ATOM 826 O GLU A 651 9.028 -2.682 7.310 1.00 53.14 O ATOM 827 CB GLU A 651 11.428 -4.527 6.528 1.00 43.41 C ATOM 828 CG GLU A 651 10.559 -5.721 6.169 1.00 4.13 C ATOM 829 CD GLU A 651 11.062 -7.013 6.782 1.00 5.02 C ATOM 830 OE1 GLU A 651 12.181 -7.010 7.338 1.00 55.42 O ATOM 831 OE2 GLU A 651 10.338 -8.028 6.708 1.00 53.54 O ATOM 0 H GLU A 651 11.299 -1.716 7.366 1.00 30.44 H new ATOM 0 HA GLU A 651 11.089 -3.215 4.860 1.00 15.01 H new ATOM 0 HB2 GLU A 651 12.444 -4.710 6.180 1.00 43.41 H new ATOM 0 HB3 GLU A 651 11.475 -4.436 7.613 1.00 43.41 H new ATOM 0 HG2 GLU A 651 9.538 -5.537 6.505 1.00 4.13 H new ATOM 0 HG3 GLU A 651 10.524 -5.827 5.085 1.00 4.13 H new ATOM 838 N ILE A 652 8.625 -3.328 5.192 1.00 2.02 N ATOM 839 CA ILE A 652 7.177 -3.218 5.319 1.00 62.55 C ATOM 840 C ILE A 652 6.472 -4.343 4.567 1.00 43.34 C ATOM 841 O ILE A 652 6.898 -4.738 3.482 1.00 21.20 O ATOM 842 CB ILE A 652 6.666 -1.865 4.791 1.00 63.00 C ATOM 843 CG1 ILE A 652 5.836 -1.155 5.863 1.00 3.43 C ATOM 844 CG2 ILE A 652 5.847 -2.064 3.525 1.00 23.42 C ATOM 845 CD1 ILE A 652 5.126 0.081 5.357 1.00 63.42 C ATOM 0 H ILE A 652 8.946 -3.632 4.273 1.00 2.02 H new ATOM 0 HA ILE A 652 6.947 -3.294 6.382 1.00 62.55 H new ATOM 0 HB ILE A 652 7.525 -1.239 4.549 1.00 63.00 H new ATOM 0 HG12 ILE A 652 5.097 -1.852 6.260 1.00 3.43 H new ATOM 0 HG13 ILE A 652 6.488 -0.876 6.691 1.00 3.43 H new ATOM 0 HG21 ILE A 652 5.493 -1.098 3.165 1.00 23.42 H new ATOM 0 HG22 ILE A 652 6.467 -2.532 2.760 1.00 23.42 H new ATOM 0 HG23 ILE A 652 4.993 -2.705 3.741 1.00 23.42 H new ATOM 0 HD11 ILE A 652 4.557 0.533 6.170 1.00 63.42 H new ATOM 0 HD12 ILE A 652 5.860 0.796 4.987 1.00 63.42 H new ATOM 0 HD13 ILE A 652 4.448 -0.194 4.549 1.00 63.42 H new ATOM 857 N GLU A 653 5.391 -4.851 5.151 1.00 62.11 N ATOM 858 CA GLU A 653 4.628 -5.930 4.534 1.00 52.32 C ATOM 859 C GLU A 653 3.163 -5.534 4.370 1.00 13.24 C ATOM 860 O GLU A 653 2.376 -5.622 5.313 1.00 15.45 O ATOM 861 CB GLU A 653 4.732 -7.204 5.375 1.00 13.53 C ATOM 862 CG GLU A 653 4.085 -8.415 4.726 1.00 31.43 C ATOM 863 CD GLU A 653 3.676 -9.470 5.736 1.00 11.21 C ATOM 864 OE1 GLU A 653 2.603 -9.312 6.356 1.00 23.04 O ATOM 865 OE2 GLU A 653 4.429 -10.452 5.908 1.00 52.15 O ATOM 0 H GLU A 653 5.025 -4.534 6.048 1.00 62.11 H new ATOM 0 HA GLU A 653 5.049 -6.120 3.547 1.00 52.32 H new ATOM 0 HB2 GLU A 653 5.784 -7.421 5.562 1.00 13.53 H new ATOM 0 HB3 GLU A 653 4.265 -7.029 6.344 1.00 13.53 H new ATOM 0 HG2 GLU A 653 3.207 -8.096 4.164 1.00 31.43 H new ATOM 0 HG3 GLU A 653 4.780 -8.853 4.010 1.00 31.43 H new ATOM 872 N ILE A 654 2.806 -5.096 3.167 1.00 15.24 N ATOM 873 CA ILE A 654 1.437 -4.687 2.880 1.00 53.21 C ATOM 874 C ILE A 654 0.623 -5.847 2.316 1.00 64.42 C ATOM 875 O ILE A 654 0.834 -6.272 1.179 1.00 31.25 O ATOM 876 CB ILE A 654 1.397 -3.515 1.881 1.00 4.54 C ATOM 877 CG1 ILE A 654 2.318 -2.386 2.350 1.00 22.14 C ATOM 878 CG2 ILE A 654 -0.028 -3.008 1.716 1.00 45.12 C ATOM 879 CD1 ILE A 654 3.467 -2.113 1.405 1.00 50.14 C ATOM 0 H ILE A 654 3.445 -5.015 2.376 1.00 15.24 H new ATOM 0 HA ILE A 654 1.000 -4.364 3.825 1.00 53.21 H new ATOM 0 HB ILE A 654 1.750 -3.870 0.913 1.00 4.54 H new ATOM 0 HG12 ILE A 654 1.731 -1.475 2.469 1.00 22.14 H new ATOM 0 HG13 ILE A 654 2.718 -2.638 3.332 1.00 22.14 H new ATOM 0 HG21 ILE A 654 -0.040 -2.180 1.007 1.00 45.12 H new ATOM 0 HG22 ILE A 654 -0.660 -3.814 1.343 1.00 45.12 H new ATOM 0 HG23 ILE A 654 -0.406 -2.666 2.679 1.00 45.12 H new ATOM 0 HD11 ILE A 654 4.078 -1.302 1.800 1.00 50.14 H new ATOM 0 HD12 ILE A 654 4.077 -3.011 1.305 1.00 50.14 H new ATOM 0 HD13 ILE A 654 3.075 -1.830 0.428 1.00 50.14 H new ATOM 891 N ASP A 655 -0.308 -6.353 3.116 1.00 33.31 N ATOM 892 CA ASP A 655 -1.156 -7.463 2.697 1.00 71.05 C ATOM 893 C ASP A 655 -2.632 -7.094 2.813 1.00 32.01 C ATOM 894 O ASP A 655 -3.229 -7.208 3.884 1.00 25.12 O ATOM 895 CB ASP A 655 -0.861 -8.705 3.539 1.00 70.44 C ATOM 896 CG ASP A 655 -1.553 -9.944 3.005 1.00 62.41 C ATOM 897 OD1 ASP A 655 -2.332 -9.819 2.037 1.00 13.01 O ATOM 898 OD2 ASP A 655 -1.314 -11.041 3.554 1.00 53.43 O ATOM 0 H ASP A 655 -0.495 -6.012 4.059 1.00 33.31 H new ATOM 0 HA ASP A 655 -0.935 -7.681 1.652 1.00 71.05 H new ATOM 0 HB2 ASP A 655 0.215 -8.876 3.564 1.00 70.44 H new ATOM 0 HB3 ASP A 655 -1.180 -8.528 4.566 1.00 70.44 H new ATOM 903 N PHE A 656 -3.214 -6.649 1.705 1.00 73.13 N ATOM 904 CA PHE A 656 -4.620 -6.261 1.684 1.00 43.03 C ATOM 905 C PHE A 656 -5.503 -7.385 2.217 1.00 52.00 C ATOM 906 O PHE A 656 -6.602 -7.141 2.715 1.00 22.35 O ATOM 907 CB PHE A 656 -5.047 -5.893 0.261 1.00 53.11 C ATOM 908 CG PHE A 656 -4.226 -4.790 -0.345 1.00 75.24 C ATOM 909 CD1 PHE A 656 -3.532 -3.903 0.460 1.00 3.53 C ATOM 910 CD2 PHE A 656 -4.150 -4.642 -1.720 1.00 52.13 C ATOM 911 CE1 PHE A 656 -2.776 -2.887 -0.094 1.00 42.12 C ATOM 912 CE2 PHE A 656 -3.395 -3.629 -2.280 1.00 43.13 C ATOM 913 CZ PHE A 656 -2.707 -2.749 -1.466 1.00 72.54 C ATOM 0 H PHE A 656 -2.735 -6.548 0.810 1.00 73.13 H new ATOM 0 HA PHE A 656 -4.741 -5.391 2.330 1.00 43.03 H new ATOM 0 HB2 PHE A 656 -4.976 -6.778 -0.372 1.00 53.11 H new ATOM 0 HB3 PHE A 656 -6.095 -5.592 0.271 1.00 53.11 H new ATOM 0 HD1 PHE A 656 -3.582 -4.006 1.534 1.00 3.53 H new ATOM 0 HD2 PHE A 656 -4.686 -5.326 -2.361 1.00 52.13 H new ATOM 0 HE1 PHE A 656 -2.240 -2.202 0.546 1.00 42.12 H new ATOM 0 HE2 PHE A 656 -3.343 -3.525 -3.354 1.00 43.13 H new ATOM 0 HZ PHE A 656 -2.117 -1.956 -1.902 1.00 72.54 H new ATOM 923 N GLU A 657 -5.015 -8.616 2.107 1.00 5.14 N ATOM 924 CA GLU A 657 -5.760 -9.778 2.577 1.00 53.40 C ATOM 925 C GLU A 657 -6.166 -9.610 4.039 1.00 53.42 C ATOM 926 O GLU A 657 -7.235 -10.056 4.454 1.00 75.43 O ATOM 927 CB GLU A 657 -4.925 -11.049 2.411 1.00 24.11 C ATOM 928 CG GLU A 657 -5.733 -12.330 2.537 1.00 14.14 C ATOM 929 CD GLU A 657 -5.193 -13.258 3.608 1.00 32.31 C ATOM 930 OE1 GLU A 657 -5.297 -12.911 4.803 1.00 13.40 O ATOM 931 OE2 GLU A 657 -4.666 -14.332 3.250 1.00 53.22 O ATOM 0 H GLU A 657 -4.107 -8.835 1.697 1.00 5.14 H new ATOM 0 HA GLU A 657 -6.664 -9.865 1.975 1.00 53.40 H new ATOM 0 HB2 GLU A 657 -4.440 -11.030 1.435 1.00 24.11 H new ATOM 0 HB3 GLU A 657 -4.133 -11.054 3.160 1.00 24.11 H new ATOM 0 HG2 GLU A 657 -6.769 -12.080 2.766 1.00 14.14 H new ATOM 0 HG3 GLU A 657 -5.735 -12.850 1.579 1.00 14.14 H new ATOM 938 N THR A 658 -5.303 -8.962 4.815 1.00 54.54 N ATOM 939 CA THR A 658 -5.569 -8.735 6.230 1.00 11.21 C ATOM 940 C THR A 658 -5.667 -7.245 6.539 1.00 75.14 C ATOM 941 O THR A 658 -6.275 -6.846 7.533 1.00 75.13 O ATOM 942 CB THR A 658 -4.474 -9.360 7.115 1.00 62.32 C ATOM 943 OG1 THR A 658 -4.634 -8.927 8.470 1.00 30.43 O ATOM 944 CG2 THR A 658 -3.090 -8.976 6.615 1.00 71.55 C ATOM 0 H THR A 658 -4.414 -8.585 4.487 1.00 54.54 H new ATOM 0 HA THR A 658 -6.523 -9.213 6.453 1.00 11.21 H new ATOM 0 HB THR A 658 -4.573 -10.444 7.066 1.00 62.32 H new ATOM 0 HG1 THR A 658 -3.935 -9.330 9.027 1.00 30.43 H new ATOM 0 HG21 THR A 658 -2.333 -9.429 7.255 1.00 71.55 H new ATOM 0 HG22 THR A 658 -2.961 -9.332 5.593 1.00 71.55 H new ATOM 0 HG23 THR A 658 -2.983 -7.892 6.638 1.00 71.55 H new ATOM 952 N LEU A 659 -5.066 -6.428 5.683 1.00 55.53 N ATOM 953 CA LEU A 659 -5.087 -4.980 5.864 1.00 72.12 C ATOM 954 C LEU A 659 -6.519 -4.466 5.980 1.00 41.14 C ATOM 955 O LEU A 659 -7.466 -5.137 5.571 1.00 31.44 O ATOM 956 CB LEU A 659 -4.379 -4.289 4.697 1.00 33.20 C ATOM 957 CG LEU A 659 -3.282 -3.293 5.072 1.00 11.51 C ATOM 958 CD1 LEU A 659 -1.912 -3.946 4.979 1.00 44.34 C ATOM 959 CD2 LEU A 659 -3.351 -2.062 4.180 1.00 75.45 C ATOM 0 H LEU A 659 -4.558 -6.742 4.856 1.00 55.53 H new ATOM 0 HA LEU A 659 -4.560 -4.748 6.790 1.00 72.12 H new ATOM 0 HB2 LEU A 659 -3.942 -5.056 4.058 1.00 33.20 H new ATOM 0 HB3 LEU A 659 -5.128 -3.767 4.102 1.00 33.20 H new ATOM 0 HG LEU A 659 -3.441 -2.979 6.103 1.00 11.51 H new ATOM 0 HD11 LEU A 659 -1.144 -3.221 5.250 1.00 44.34 H new ATOM 0 HD12 LEU A 659 -1.866 -4.795 5.661 1.00 44.34 H new ATOM 0 HD13 LEU A 659 -1.742 -4.291 3.959 1.00 44.34 H new ATOM 0 HD21 LEU A 659 -2.563 -1.364 4.462 1.00 75.45 H new ATOM 0 HD22 LEU A 659 -3.218 -2.359 3.140 1.00 75.45 H new ATOM 0 HD23 LEU A 659 -4.322 -1.580 4.299 1.00 75.45 H new ATOM 971 N LYS A 660 -6.669 -3.269 6.537 1.00 33.02 N ATOM 972 CA LYS A 660 -7.984 -2.662 6.704 1.00 32.14 C ATOM 973 C LYS A 660 -8.367 -1.846 5.474 1.00 54.41 C ATOM 974 O LYS A 660 -7.515 -1.399 4.706 1.00 2.35 O ATOM 975 CB LYS A 660 -8.002 -1.770 7.948 1.00 51.23 C ATOM 976 CG LYS A 660 -6.844 -0.788 8.008 1.00 33.25 C ATOM 977 CD LYS A 660 -5.867 -1.147 9.115 1.00 33.22 C ATOM 978 CE LYS A 660 -6.177 -0.393 10.400 1.00 54.24 C ATOM 979 NZ LYS A 660 -5.932 -1.229 11.607 1.00 61.20 N ATOM 0 H LYS A 660 -5.895 -2.700 6.881 1.00 33.02 H new ATOM 0 HA LYS A 660 -8.713 -3.463 6.828 1.00 32.14 H new ATOM 0 HB2 LYS A 660 -8.940 -1.215 7.974 1.00 51.23 H new ATOM 0 HB3 LYS A 660 -7.980 -2.400 8.837 1.00 51.23 H new ATOM 0 HG2 LYS A 660 -6.323 -0.779 7.050 1.00 33.25 H new ATOM 0 HG3 LYS A 660 -7.228 0.219 8.172 1.00 33.25 H new ATOM 0 HD2 LYS A 660 -5.907 -2.220 9.303 1.00 33.22 H new ATOM 0 HD3 LYS A 660 -4.851 -0.917 8.793 1.00 33.22 H new ATOM 0 HE2 LYS A 660 -5.563 0.506 10.450 1.00 54.24 H new ATOM 0 HE3 LYS A 660 -7.217 -0.068 10.388 1.00 54.24 H new ATOM 0 HZ1 LYS A 660 -6.155 -0.679 12.461 1.00 61.20 H new ATOM 0 HZ2 LYS A 660 -6.536 -2.075 11.572 1.00 61.20 H new ATOM 0 HZ3 LYS A 660 -4.933 -1.518 11.632 1.00 61.20 H new ATOM 993 N PRO A 661 -9.680 -1.646 5.281 1.00 4.01 N ATOM 994 CA PRO A 661 -10.204 -0.880 4.147 1.00 60.35 C ATOM 995 C PRO A 661 -9.894 0.609 4.257 1.00 25.41 C ATOM 996 O PRO A 661 -9.727 1.294 3.249 1.00 4.42 O ATOM 997 CB PRO A 661 -11.714 -1.118 4.226 1.00 71.43 C ATOM 998 CG PRO A 661 -11.973 -1.429 5.660 1.00 52.42 C ATOM 999 CD PRO A 661 -10.751 -2.150 6.156 1.00 43.04 C ATOM 0 HA PRO A 661 -9.757 -1.193 3.204 1.00 60.35 H new ATOM 0 HB2 PRO A 661 -12.271 -0.238 3.905 1.00 71.43 H new ATOM 0 HB3 PRO A 661 -12.019 -1.942 3.581 1.00 71.43 H new ATOM 0 HG2 PRO A 661 -12.147 -0.517 6.232 1.00 52.42 H new ATOM 0 HG3 PRO A 661 -12.863 -2.049 5.770 1.00 52.42 H new ATOM 0 HD2 PRO A 661 -10.551 -1.928 7.204 1.00 43.04 H new ATOM 0 HD3 PRO A 661 -10.861 -3.231 6.074 1.00 43.04 H new ATOM 1007 N SER A 662 -9.817 1.102 5.489 1.00 2.31 N ATOM 1008 CA SER A 662 -9.529 2.511 5.731 1.00 42.11 C ATOM 1009 C SER A 662 -8.154 2.886 5.186 1.00 52.15 C ATOM 1010 O SER A 662 -7.984 3.940 4.570 1.00 32.25 O ATOM 1011 CB SER A 662 -9.596 2.816 7.229 1.00 44.53 C ATOM 1012 OG SER A 662 -10.509 3.868 7.495 1.00 62.23 O ATOM 0 H SER A 662 -9.950 0.547 6.334 1.00 2.31 H new ATOM 0 HA SER A 662 -10.281 3.105 5.211 1.00 42.11 H new ATOM 0 HB2 SER A 662 -9.899 1.921 7.772 1.00 44.53 H new ATOM 0 HB3 SER A 662 -8.605 3.089 7.592 1.00 44.53 H new ATOM 0 HG SER A 662 -11.422 3.561 7.316 1.00 62.23 H new ATOM 1018 N THR A 663 -7.175 2.016 5.415 1.00 51.34 N ATOM 1019 CA THR A 663 -5.816 2.256 4.948 1.00 62.33 C ATOM 1020 C THR A 663 -5.711 2.064 3.439 1.00 10.13 C ATOM 1021 O THR A 663 -5.142 2.900 2.735 1.00 35.33 O ATOM 1022 CB THR A 663 -4.810 1.319 5.644 1.00 64.02 C ATOM 1023 OG1 THR A 663 -5.067 1.283 7.052 1.00 54.50 O ATOM 1024 CG2 THR A 663 -3.382 1.779 5.395 1.00 3.11 C ATOM 0 H THR A 663 -7.299 1.139 5.921 1.00 51.34 H new ATOM 0 HA THR A 663 -5.573 3.289 5.198 1.00 62.33 H new ATOM 0 HB THR A 663 -4.930 0.319 5.228 1.00 64.02 H new ATOM 0 HG1 THR A 663 -4.335 0.816 7.506 1.00 54.50 H new ATOM 0 HG21 THR A 663 -2.689 1.103 5.896 1.00 3.11 H new ATOM 0 HG22 THR A 663 -3.181 1.777 4.324 1.00 3.11 H new ATOM 0 HG23 THR A 663 -3.251 2.788 5.787 1.00 3.11 H new ATOM 1032 N LEU A 664 -6.263 0.960 2.948 1.00 52.24 N ATOM 1033 CA LEU A 664 -6.233 0.660 1.520 1.00 24.33 C ATOM 1034 C LEU A 664 -6.618 1.885 0.697 1.00 21.42 C ATOM 1035 O LEU A 664 -5.873 2.309 -0.187 1.00 54.33 O ATOM 1036 CB LEU A 664 -7.178 -0.500 1.204 1.00 71.35 C ATOM 1037 CG LEU A 664 -6.514 -1.838 0.878 1.00 42.34 C ATOM 1038 CD1 LEU A 664 -5.735 -2.353 2.077 1.00 24.31 C ATOM 1039 CD2 LEU A 664 -7.555 -2.857 0.438 1.00 71.03 C ATOM 0 H LEU A 664 -6.736 0.258 3.517 1.00 52.24 H new ATOM 0 HA LEU A 664 -5.215 0.374 1.255 1.00 24.33 H new ATOM 0 HB2 LEU A 664 -7.841 -0.645 2.057 1.00 71.35 H new ATOM 0 HB3 LEU A 664 -7.804 -0.213 0.359 1.00 71.35 H new ATOM 0 HG LEU A 664 -5.815 -1.684 0.056 1.00 42.34 H new ATOM 0 HD11 LEU A 664 -5.269 -3.306 1.826 1.00 24.31 H new ATOM 0 HD12 LEU A 664 -4.963 -1.632 2.347 1.00 24.31 H new ATOM 0 HD13 LEU A 664 -6.413 -2.491 2.919 1.00 24.31 H new ATOM 0 HD21 LEU A 664 -7.064 -3.803 0.210 1.00 71.03 H new ATOM 0 HD22 LEU A 664 -8.278 -3.007 1.239 1.00 71.03 H new ATOM 0 HD23 LEU A 664 -8.069 -2.491 -0.451 1.00 71.03 H new ATOM 1051 N ARG A 665 -7.783 2.449 0.995 1.00 1.01 N ATOM 1052 CA ARG A 665 -8.266 3.626 0.284 1.00 52.21 C ATOM 1053 C ARG A 665 -7.324 4.809 0.486 1.00 2.32 C ATOM 1054 O ARG A 665 -7.161 5.644 -0.403 1.00 71.03 O ATOM 1055 CB ARG A 665 -9.673 3.994 0.760 1.00 40.51 C ATOM 1056 CG ARG A 665 -10.406 4.937 -0.180 1.00 12.52 C ATOM 1057 CD ARG A 665 -11.137 6.030 0.586 1.00 72.14 C ATOM 1058 NE ARG A 665 -12.465 6.288 0.036 1.00 1.30 N ATOM 1059 CZ ARG A 665 -12.673 6.888 -1.131 1.00 55.23 C ATOM 1060 NH1 ARG A 665 -11.647 7.288 -1.867 1.00 0.52 N ATOM 1061 NH2 ARG A 665 -13.912 7.087 -1.563 1.00 51.23 N ATOM 0 H ARG A 665 -8.410 2.110 1.724 1.00 1.01 H new ATOM 0 HA ARG A 665 -8.300 3.388 -0.779 1.00 52.21 H new ATOM 0 HB2 ARG A 665 -10.259 3.082 0.876 1.00 40.51 H new ATOM 0 HB3 ARG A 665 -9.605 4.456 1.745 1.00 40.51 H new ATOM 0 HG2 ARG A 665 -9.695 5.389 -0.871 1.00 12.52 H new ATOM 0 HG3 ARG A 665 -11.119 4.372 -0.780 1.00 12.52 H new ATOM 0 HD2 ARG A 665 -11.228 5.740 1.633 1.00 72.14 H new ATOM 0 HD3 ARG A 665 -10.549 6.947 0.559 1.00 72.14 H new ATOM 0 HE ARG A 665 -13.277 5.991 0.577 1.00 1.30 H new ATOM 0 HH11 ARG A 665 -10.693 7.136 -1.538 1.00 0.52 H new ATOM 0 HH12 ARG A 665 -11.810 7.748 -2.762 1.00 0.52 H new ATOM 0 HH21 ARG A 665 -14.704 6.779 -0.999 1.00 51.23 H new ATOM 0 HH22 ARG A 665 -14.072 7.548 -2.459 1.00 51.23 H new ATOM 1075 N GLU A 666 -6.706 4.872 1.661 1.00 43.44 N ATOM 1076 CA GLU A 666 -5.780 5.954 1.979 1.00 14.12 C ATOM 1077 C GLU A 666 -4.721 6.102 0.890 1.00 33.11 C ATOM 1078 O GLU A 666 -4.578 7.167 0.288 1.00 74.15 O ATOM 1079 CB GLU A 666 -5.107 5.698 3.329 1.00 65.11 C ATOM 1080 CG GLU A 666 -5.115 6.904 4.252 1.00 15.13 C ATOM 1081 CD GLU A 666 -4.091 7.950 3.856 1.00 10.11 C ATOM 1082 OE1 GLU A 666 -3.862 8.127 2.641 1.00 32.23 O ATOM 1083 OE2 GLU A 666 -3.518 8.591 4.761 1.00 3.22 O ATOM 0 H GLU A 666 -6.829 4.188 2.408 1.00 43.44 H new ATOM 0 HA GLU A 666 -6.350 6.881 2.035 1.00 14.12 H new ATOM 0 HB2 GLU A 666 -5.611 4.868 3.825 1.00 65.11 H new ATOM 0 HB3 GLU A 666 -4.076 5.389 3.158 1.00 65.11 H new ATOM 0 HG2 GLU A 666 -6.108 7.353 4.247 1.00 15.13 H new ATOM 0 HG3 GLU A 666 -4.918 6.577 5.273 1.00 15.13 H new ATOM 1090 N LEU A 667 -3.981 5.027 0.643 1.00 2.22 N ATOM 1091 CA LEU A 667 -2.934 5.036 -0.373 1.00 3.33 C ATOM 1092 C LEU A 667 -3.477 5.531 -1.710 1.00 30.52 C ATOM 1093 O LEU A 667 -2.872 6.384 -2.358 1.00 14.14 O ATOM 1094 CB LEU A 667 -2.342 3.635 -0.535 1.00 51.34 C ATOM 1095 CG LEU A 667 -1.832 2.969 0.743 1.00 64.43 C ATOM 1096 CD1 LEU A 667 -1.429 4.018 1.767 1.00 32.04 C ATOM 1097 CD2 LEU A 667 -2.890 2.038 1.317 1.00 45.11 C ATOM 0 H LEU A 667 -4.086 4.138 1.132 1.00 2.22 H new ATOM 0 HA LEU A 667 -2.150 5.719 -0.046 1.00 3.33 H new ATOM 0 HB2 LEU A 667 -3.101 2.991 -0.978 1.00 51.34 H new ATOM 0 HB3 LEU A 667 -1.517 3.691 -1.245 1.00 51.34 H new ATOM 0 HG LEU A 667 -0.951 2.376 0.495 1.00 64.43 H new ATOM 0 HD11 LEU A 667 -1.069 3.525 2.670 1.00 32.04 H new ATOM 0 HD12 LEU A 667 -0.638 4.644 1.355 1.00 32.04 H new ATOM 0 HD13 LEU A 667 -2.292 4.638 2.012 1.00 32.04 H new ATOM 0 HD21 LEU A 667 -2.510 1.572 2.226 1.00 45.11 H new ATOM 0 HD22 LEU A 667 -3.789 2.609 1.550 1.00 45.11 H new ATOM 0 HD23 LEU A 667 -3.130 1.265 0.587 1.00 45.11 H new ATOM 1109 N GLU A 668 -4.622 4.988 -2.114 1.00 4.30 N ATOM 1110 CA GLU A 668 -5.246 5.375 -3.374 1.00 4.51 C ATOM 1111 C GLU A 668 -5.386 6.892 -3.467 1.00 40.43 C ATOM 1112 O GLU A 668 -5.208 7.479 -4.535 1.00 22.30 O ATOM 1113 CB GLU A 668 -6.619 4.716 -3.512 1.00 12.43 C ATOM 1114 CG GLU A 668 -7.197 4.801 -4.915 1.00 33.42 C ATOM 1115 CD GLU A 668 -8.391 3.888 -5.110 1.00 35.54 C ATOM 1116 OE1 GLU A 668 -9.220 3.786 -4.181 1.00 53.52 O ATOM 1117 OE2 GLU A 668 -8.497 3.273 -6.192 1.00 11.30 O ATOM 0 H GLU A 668 -5.135 4.280 -1.588 1.00 4.30 H new ATOM 0 HA GLU A 668 -4.605 5.035 -4.188 1.00 4.51 H new ATOM 0 HB2 GLU A 668 -6.540 3.668 -3.224 1.00 12.43 H new ATOM 0 HB3 GLU A 668 -7.311 5.188 -2.814 1.00 12.43 H new ATOM 0 HG2 GLU A 668 -7.494 5.830 -5.120 1.00 33.42 H new ATOM 0 HG3 GLU A 668 -6.424 4.542 -5.639 1.00 33.42 H new ATOM 1124 N ARG A 669 -5.707 7.522 -2.341 1.00 60.32 N ATOM 1125 CA ARG A 669 -5.874 8.970 -2.296 1.00 65.24 C ATOM 1126 C ARG A 669 -4.567 9.678 -2.644 1.00 32.40 C ATOM 1127 O ARG A 669 -4.572 10.736 -3.273 1.00 3.34 O ATOM 1128 CB ARG A 669 -6.350 9.406 -0.910 1.00 21.12 C ATOM 1129 CG ARG A 669 -7.581 10.296 -0.941 1.00 55.51 C ATOM 1130 CD ARG A 669 -8.334 10.252 0.380 1.00 41.11 C ATOM 1131 NE ARG A 669 -9.429 11.218 0.418 1.00 21.12 N ATOM 1132 CZ ARG A 669 -10.119 11.503 1.516 1.00 40.40 C ATOM 1133 NH1 ARG A 669 -9.828 10.902 2.661 1.00 15.11 N ATOM 1134 NH2 ARG A 669 -11.102 12.394 1.472 1.00 62.24 N ATOM 0 H ARG A 669 -5.857 7.052 -1.448 1.00 60.32 H new ATOM 0 HA ARG A 669 -6.626 9.248 -3.035 1.00 65.24 H new ATOM 0 HB2 ARG A 669 -6.568 8.519 -0.315 1.00 21.12 H new ATOM 0 HB3 ARG A 669 -5.541 9.936 -0.408 1.00 21.12 H new ATOM 0 HG2 ARG A 669 -7.284 11.322 -1.158 1.00 55.51 H new ATOM 0 HG3 ARG A 669 -8.241 9.978 -1.748 1.00 55.51 H new ATOM 0 HD2 ARG A 669 -8.730 9.249 0.538 1.00 41.11 H new ATOM 0 HD3 ARG A 669 -7.643 10.455 1.198 1.00 41.11 H new ATOM 0 HE ARG A 669 -9.677 11.700 -0.446 1.00 21.12 H new ATOM 0 HH11 ARG A 669 -9.072 10.218 2.700 1.00 15.11 H new ATOM 0 HH12 ARG A 669 -10.360 11.123 3.503 1.00 15.11 H new ATOM 0 HH21 ARG A 669 -11.328 12.861 0.594 1.00 62.24 H new ATOM 0 HH22 ARG A 669 -11.631 12.612 2.316 1.00 62.24 H new ATOM 1148 N TYR A 670 -3.452 9.087 -2.230 1.00 1.50 N ATOM 1149 CA TYR A 670 -2.139 9.663 -2.495 1.00 73.42 C ATOM 1150 C TYR A 670 -1.662 9.309 -3.900 1.00 61.32 C ATOM 1151 O TYR A 670 -1.292 10.184 -4.683 1.00 41.10 O ATOM 1152 CB TYR A 670 -1.125 9.170 -1.461 1.00 13.02 C ATOM 1153 CG TYR A 670 -0.782 10.202 -0.411 1.00 52.40 C ATOM 1154 CD1 TYR A 670 -1.749 10.673 0.469 1.00 3.54 C ATOM 1155 CD2 TYR A 670 0.508 10.706 -0.298 1.00 52.03 C ATOM 1156 CE1 TYR A 670 -1.440 11.617 1.431 1.00 72.03 C ATOM 1157 CE2 TYR A 670 0.826 11.648 0.661 1.00 54.43 C ATOM 1158 CZ TYR A 670 -0.152 12.100 1.522 1.00 2.24 C ATOM 1159 OH TYR A 670 0.161 13.040 2.478 1.00 24.34 O ATOM 0 H TYR A 670 -3.431 8.210 -1.710 1.00 1.50 H new ATOM 0 HA TYR A 670 -2.225 10.747 -2.423 1.00 73.42 H new ATOM 0 HB2 TYR A 670 -1.522 8.282 -0.970 1.00 13.02 H new ATOM 0 HB3 TYR A 670 -0.212 8.869 -1.975 1.00 13.02 H new ATOM 0 HD1 TYR A 670 -2.759 10.295 0.400 1.00 3.54 H new ATOM 0 HD2 TYR A 670 1.276 10.355 -0.972 1.00 52.03 H new ATOM 0 HE1 TYR A 670 -2.203 11.974 2.107 1.00 72.03 H new ATOM 0 HE2 TYR A 670 1.834 12.028 0.736 1.00 54.43 H new ATOM 0 HH TYR A 670 1.110 13.274 2.408 1.00 24.34 H new ATOM 1169 N VAL A 671 -1.674 8.017 -4.214 1.00 32.30 N ATOM 1170 CA VAL A 671 -1.245 7.544 -5.525 1.00 54.41 C ATOM 1171 C VAL A 671 -2.044 8.213 -6.639 1.00 25.52 C ATOM 1172 O VAL A 671 -1.537 8.425 -7.740 1.00 61.43 O ATOM 1173 CB VAL A 671 -1.394 6.016 -5.647 1.00 42.14 C ATOM 1174 CG1 VAL A 671 -2.835 5.643 -5.961 1.00 31.31 C ATOM 1175 CG2 VAL A 671 -0.450 5.473 -6.710 1.00 35.44 C ATOM 0 H VAL A 671 -1.976 7.279 -3.578 1.00 32.30 H new ATOM 0 HA VAL A 671 -0.192 7.808 -5.628 1.00 54.41 H new ATOM 0 HB VAL A 671 -1.128 5.564 -4.691 1.00 42.14 H new ATOM 0 HG11 VAL A 671 -2.921 4.560 -6.043 1.00 31.31 H new ATOM 0 HG12 VAL A 671 -3.485 5.999 -5.162 1.00 31.31 H new ATOM 0 HG13 VAL A 671 -3.133 6.103 -6.903 1.00 31.31 H new ATOM 0 HG21 VAL A 671 -0.568 4.392 -6.783 1.00 35.44 H new ATOM 0 HG22 VAL A 671 -0.684 5.930 -7.672 1.00 35.44 H new ATOM 0 HG23 VAL A 671 0.579 5.708 -6.437 1.00 35.44 H new ATOM 1185 N THR A 672 -3.297 8.543 -6.344 1.00 75.02 N ATOM 1186 CA THR A 672 -4.168 9.187 -7.320 1.00 24.41 C ATOM 1187 C THR A 672 -3.860 10.675 -7.434 1.00 0.14 C ATOM 1188 O THR A 672 -3.998 11.268 -8.503 1.00 62.42 O ATOM 1189 CB THR A 672 -5.652 9.008 -6.953 1.00 13.14 C ATOM 1190 OG1 THR A 672 -6.002 7.620 -6.987 1.00 75.10 O ATOM 1191 CG2 THR A 672 -6.544 9.784 -7.909 1.00 50.22 C ATOM 0 H THR A 672 -3.732 8.375 -5.437 1.00 75.02 H new ATOM 0 HA THR A 672 -3.978 8.705 -8.279 1.00 24.41 H new ATOM 0 HB THR A 672 -5.802 9.396 -5.945 1.00 13.14 H new ATOM 0 HG1 THR A 672 -5.608 7.164 -6.214 1.00 75.10 H new ATOM 0 HG21 THR A 672 -7.588 9.642 -7.629 1.00 50.22 H new ATOM 0 HG22 THR A 672 -6.296 10.844 -7.858 1.00 50.22 H new ATOM 0 HG23 THR A 672 -6.389 9.423 -8.926 1.00 50.22 H new ATOM 1199 N SER A 673 -3.441 11.275 -6.323 1.00 62.44 N ATOM 1200 CA SER A 673 -3.116 12.696 -6.299 1.00 5.23 C ATOM 1201 C SER A 673 -1.863 12.982 -7.121 1.00 22.41 C ATOM 1202 O SER A 673 -1.745 14.035 -7.747 1.00 54.14 O ATOM 1203 CB SER A 673 -2.912 13.169 -4.857 1.00 72.12 C ATOM 1204 OG SER A 673 -3.023 14.578 -4.763 1.00 4.23 O ATOM 0 H SER A 673 -3.319 10.799 -5.429 1.00 62.44 H new ATOM 0 HA SER A 673 -3.950 13.242 -6.740 1.00 5.23 H new ATOM 0 HB2 SER A 673 -3.651 12.699 -4.209 1.00 72.12 H new ATOM 0 HB3 SER A 673 -1.931 12.854 -4.503 1.00 72.12 H new ATOM 0 HG SER A 673 -2.890 14.855 -3.832 1.00 4.23 H new ATOM 1210 N CYS A 674 -0.930 12.036 -7.115 1.00 34.32 N ATOM 1211 CA CYS A 674 0.315 12.185 -7.860 1.00 0.22 C ATOM 1212 C CYS A 674 0.163 11.660 -9.284 1.00 13.42 C ATOM 1213 O CYS A 674 0.505 12.345 -10.248 1.00 43.13 O ATOM 1214 CB CYS A 674 1.450 11.445 -7.150 1.00 15.15 C ATOM 1215 SG CYS A 674 3.097 11.839 -7.782 1.00 52.12 S ATOM 0 H CYS A 674 -1.012 11.158 -6.603 1.00 34.32 H new ATOM 0 HA CYS A 674 0.556 13.247 -7.907 1.00 0.22 H new ATOM 0 HB2 CYS A 674 1.414 11.682 -6.087 1.00 15.15 H new ATOM 0 HB3 CYS A 674 1.284 10.372 -7.243 1.00 15.15 H new ATOM 0 HG CYS A 674 3.005 12.229 -9.019 1.00 52.12 H new ATOM 1221 N LEU A 675 -0.352 10.443 -9.408 1.00 62.21 N ATOM 1222 CA LEU A 675 -0.549 9.824 -10.715 1.00 2.23 C ATOM 1223 C LEU A 675 -1.610 10.571 -11.516 1.00 32.05 C ATOM 1224 O LEU A 675 -1.584 10.577 -12.747 1.00 5.42 O ATOM 1225 CB LEU A 675 -0.953 8.359 -10.552 1.00 32.42 C ATOM 1226 CG LEU A 675 -0.631 7.438 -11.730 1.00 51.13 C ATOM 1227 CD1 LEU A 675 0.867 7.408 -11.990 1.00 5.12 C ATOM 1228 CD2 LEU A 675 -1.158 6.035 -11.471 1.00 45.01 C ATOM 0 H LEU A 675 -0.641 9.864 -8.620 1.00 62.21 H new ATOM 0 HA LEU A 675 0.394 9.875 -11.260 1.00 2.23 H new ATOM 0 HB2 LEU A 675 -0.461 7.964 -9.663 1.00 32.42 H new ATOM 0 HB3 LEU A 675 -2.026 8.317 -10.367 1.00 32.42 H new ATOM 0 HG LEU A 675 -1.125 7.831 -12.619 1.00 51.13 H new ATOM 0 HD11 LEU A 675 1.077 6.748 -12.831 1.00 5.12 H new ATOM 0 HD12 LEU A 675 1.216 8.414 -12.222 1.00 5.12 H new ATOM 0 HD13 LEU A 675 1.383 7.041 -11.103 1.00 5.12 H new ATOM 0 HD21 LEU A 675 -0.919 5.394 -12.320 1.00 45.01 H new ATOM 0 HD22 LEU A 675 -0.694 5.632 -10.571 1.00 45.01 H new ATOM 0 HD23 LEU A 675 -2.239 6.071 -11.336 1.00 45.01 H new ATOM 1240 N ARG A 676 -2.544 11.201 -10.809 1.00 24.10 N ATOM 1241 CA ARG A 676 -3.614 11.952 -11.454 1.00 43.04 C ATOM 1242 C ARG A 676 -4.622 11.009 -12.106 1.00 51.40 C ATOM 1243 O ARG A 676 -5.763 10.897 -11.658 1.00 62.01 O ATOM 1244 CB ARG A 676 -3.037 12.904 -12.504 1.00 2.24 C ATOM 1245 CG ARG A 676 -3.941 14.085 -12.815 1.00 42.54 C ATOM 1246 CD ARG A 676 -3.136 15.353 -13.061 1.00 13.12 C ATOM 1247 NE ARG A 676 -3.992 16.486 -13.404 1.00 61.41 N ATOM 1248 CZ ARG A 676 -3.528 17.699 -13.684 1.00 64.41 C ATOM 1249 NH1 ARG A 676 -2.223 17.934 -13.662 1.00 10.13 N ATOM 1250 NH2 ARG A 676 -4.369 18.679 -13.987 1.00 30.31 N ATOM 0 H ARG A 676 -2.581 11.206 -9.790 1.00 24.10 H new ATOM 0 HA ARG A 676 -4.128 12.534 -10.689 1.00 43.04 H new ATOM 0 HB2 ARG A 676 -2.074 13.276 -12.155 1.00 2.24 H new ATOM 0 HB3 ARG A 676 -2.850 12.348 -13.423 1.00 2.24 H new ATOM 0 HG2 ARG A 676 -4.546 13.860 -13.694 1.00 42.54 H new ATOM 0 HG3 ARG A 676 -4.630 14.245 -11.986 1.00 42.54 H new ATOM 0 HD2 ARG A 676 -2.556 15.593 -12.170 1.00 13.12 H new ATOM 0 HD3 ARG A 676 -2.424 15.180 -13.867 1.00 13.12 H new ATOM 0 HE ARG A 676 -5.001 16.338 -13.430 1.00 61.41 H new ATOM 0 HH11 ARG A 676 -1.573 17.183 -13.430 1.00 10.13 H new ATOM 0 HH12 ARG A 676 -1.869 18.866 -13.877 1.00 10.13 H new ATOM 0 HH21 ARG A 676 -5.373 18.502 -14.005 1.00 30.31 H new ATOM 0 HH22 ARG A 676 -4.011 19.610 -14.202 1.00 30.31 H new ATOM 1264 N LYS A 677 -4.192 10.335 -13.168 1.00 51.11 N ATOM 1265 CA LYS A 677 -5.056 9.402 -13.882 1.00 41.31 C ATOM 1266 C LYS A 677 -6.368 10.071 -14.280 1.00 62.10 C ATOM 1267 O LYS A 677 -7.373 9.958 -13.578 1.00 22.43 O ATOM 1268 CB LYS A 677 -5.340 8.173 -13.016 1.00 61.14 C ATOM 1269 CG LYS A 677 -5.855 6.980 -13.804 1.00 0.23 C ATOM 1270 CD LYS A 677 -4.728 6.039 -14.191 1.00 64.34 C ATOM 1271 CE LYS A 677 -4.703 5.787 -15.691 1.00 20.41 C ATOM 1272 NZ LYS A 677 -3.317 5.587 -16.198 1.00 41.20 N ATOM 0 H LYS A 677 -3.251 10.418 -13.553 1.00 51.11 H new ATOM 0 HA LYS A 677 -4.539 9.088 -14.789 1.00 41.31 H new ATOM 0 HB2 LYS A 677 -4.426 7.887 -12.495 1.00 61.14 H new ATOM 0 HB3 LYS A 677 -6.072 8.438 -12.253 1.00 61.14 H new ATOM 0 HG2 LYS A 677 -6.592 6.441 -13.209 1.00 0.23 H new ATOM 0 HG3 LYS A 677 -6.364 7.329 -14.703 1.00 0.23 H new ATOM 0 HD2 LYS A 677 -3.774 6.463 -13.876 1.00 64.34 H new ATOM 0 HD3 LYS A 677 -4.846 5.092 -13.664 1.00 64.34 H new ATOM 0 HE2 LYS A 677 -5.304 4.907 -15.921 1.00 20.41 H new ATOM 0 HE3 LYS A 677 -5.161 6.630 -16.208 1.00 20.41 H new ATOM 0 HZ1 LYS A 677 -3.344 5.418 -17.224 1.00 41.20 H new ATOM 0 HZ2 LYS A 677 -2.750 6.436 -16.001 1.00 41.20 H new ATOM 0 HZ3 LYS A 677 -2.889 4.767 -15.723 1.00 41.20 H new ATOM 1286 N LYS A 678 -6.352 10.767 -15.412 1.00 73.41 N ATOM 1287 CA LYS A 678 -7.541 11.451 -15.907 1.00 3.32 C ATOM 1288 C LYS A 678 -8.084 12.422 -14.862 1.00 61.52 C ATOM 1289 O LYS A 678 -7.850 13.623 -14.978 1.00 42.45 O ATOM 1290 CB LYS A 678 -8.621 10.435 -16.283 1.00 21.22 C ATOM 1291 CG LYS A 678 -9.334 10.758 -17.585 1.00 4.24 C ATOM 1292 CD LYS A 678 -9.144 9.656 -18.614 1.00 2.12 C ATOM 1293 CE LYS A 678 -10.265 8.631 -18.546 1.00 71.54 C ATOM 1294 NZ LYS A 678 -9.757 7.241 -18.708 1.00 4.11 N ATOM 0 H LYS A 678 -5.528 10.872 -16.004 1.00 73.41 H new ATOM 0 HA LYS A 678 -7.260 12.018 -16.795 1.00 3.32 H new ATOM 0 HB2 LYS A 678 -8.167 9.447 -16.363 1.00 21.22 H new ATOM 0 HB3 LYS A 678 -9.356 10.384 -15.479 1.00 21.22 H new ATOM 0 HG2 LYS A 678 -10.398 10.898 -17.393 1.00 4.24 H new ATOM 0 HG3 LYS A 678 -8.955 11.699 -17.984 1.00 4.24 H new ATOM 0 HD2 LYS A 678 -9.108 10.091 -19.613 1.00 2.12 H new ATOM 0 HD3 LYS A 678 -8.187 9.162 -18.447 1.00 2.12 H new ATOM 0 HE2 LYS A 678 -10.781 8.720 -17.590 1.00 71.54 H new ATOM 0 HE3 LYS A 678 -10.998 8.843 -19.324 1.00 71.54 H new ATOM 0 HZ1 LYS A 678 -10.552 6.573 -18.656 1.00 4.11 H new ATOM 0 HZ2 LYS A 678 -9.287 7.149 -19.631 1.00 4.11 H new ATOM 0 HZ3 LYS A 678 -9.077 7.030 -17.950 1.00 4.11 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.847 4.304 -2.822 1.00 21.20 N ATOM 1310 CA THR B 389 15.397 4.450 -2.845 1.00 63.04 C ATOM 1311 C THR B 389 14.710 3.209 -2.287 1.00 42.32 C ATOM 1312 O THR B 389 15.366 2.305 -1.770 1.00 25.01 O ATOM 1313 CB THR B 389 14.881 4.710 -4.273 1.00 11.21 C ATOM 1314 OG1 THR B 389 15.985 4.826 -5.179 1.00 75.21 O ATOM 1315 CG2 THR B 389 14.043 5.979 -4.323 1.00 53.20 C ATOM 0 HA THR B 389 15.156 5.308 -2.218 1.00 63.04 H new ATOM 0 HB THR B 389 14.255 3.868 -4.568 1.00 11.21 H new ATOM 0 HG1 THR B 389 16.811 4.557 -4.725 1.00 75.21 H new ATOM 0 HG21 THR B 389 13.690 6.142 -5.341 1.00 53.20 H new ATOM 0 HG22 THR B 389 13.188 5.877 -3.654 1.00 53.20 H new ATOM 0 HG23 THR B 389 14.650 6.828 -4.009 1.00 53.20 H new ATOM 1323 N TRP B 390 13.387 3.171 -2.397 1.00 12.43 N ATOM 1324 CA TRP B 390 12.611 2.039 -1.903 1.00 2.45 C ATOM 1325 C TRP B 390 12.394 1.007 -3.004 1.00 14.24 C ATOM 1326 O TRP B 390 12.518 1.315 -4.189 1.00 52.01 O ATOM 1327 CB TRP B 390 11.263 2.516 -1.360 1.00 44.43 C ATOM 1328 CG TRP B 390 11.311 2.912 0.085 1.00 31.41 C ATOM 1329 CD1 TRP B 390 11.974 3.977 0.623 1.00 51.21 C ATOM 1330 CD2 TRP B 390 10.671 2.242 1.178 1.00 51.11 C ATOM 1331 NE1 TRP B 390 11.785 4.012 1.983 1.00 11.11 N ATOM 1332 CE2 TRP B 390 10.988 2.959 2.349 1.00 71.55 C ATOM 1333 CE3 TRP B 390 9.858 1.109 1.281 1.00 43.44 C ATOM 1334 CZ2 TRP B 390 10.522 2.577 3.604 1.00 34.31 C ATOM 1335 CZ3 TRP B 390 9.397 0.732 2.527 1.00 5.12 C ATOM 1336 CH2 TRP B 390 9.729 1.464 3.675 1.00 64.11 C ATOM 0 H TRP B 390 12.829 3.911 -2.824 1.00 12.43 H new ATOM 0 HA TRP B 390 13.173 1.569 -1.096 1.00 2.45 H new ATOM 0 HB2 TRP B 390 10.922 3.366 -1.951 1.00 44.43 H new ATOM 0 HB3 TRP B 390 10.527 1.723 -1.488 1.00 44.43 H new ATOM 0 HD1 TRP B 390 12.561 4.688 0.061 1.00 51.21 H new ATOM 0 HE1 TRP B 390 12.175 4.709 2.618 1.00 11.11 H new ATOM 0 HE3 TRP B 390 9.595 0.539 0.402 1.00 43.44 H new ATOM 0 HZ2 TRP B 390 10.777 3.139 4.490 1.00 34.31 H new ATOM 0 HZ3 TRP B 390 8.770 -0.142 2.618 1.00 5.12 H new ATOM 0 HH2 TRP B 390 9.352 1.143 4.635 1.00 64.11 H new ATOM 1347 N ARG B 391 12.068 -0.217 -2.604 1.00 61.50 N ATOM 1348 CA ARG B 391 11.834 -1.295 -3.557 1.00 60.43 C ATOM 1349 C ARG B 391 10.420 -1.849 -3.416 1.00 74.44 C ATOM 1350 O ARG B 391 9.691 -1.491 -2.490 1.00 34.22 O ATOM 1351 CB ARG B 391 12.855 -2.416 -3.353 1.00 73.44 C ATOM 1352 CG ARG B 391 12.595 -3.259 -2.116 1.00 12.11 C ATOM 1353 CD ARG B 391 13.746 -4.213 -1.839 1.00 50.42 C ATOM 1354 NE ARG B 391 14.033 -5.072 -2.984 1.00 24.03 N ATOM 1355 CZ ARG B 391 14.904 -6.075 -2.950 1.00 42.24 C ATOM 1356 NH1 ARG B 391 15.568 -6.343 -1.835 1.00 24.01 N ATOM 1357 NH2 ARG B 391 15.111 -6.812 -4.034 1.00 53.01 N ATOM 0 H ARG B 391 11.960 -0.487 -1.626 1.00 61.50 H new ATOM 0 HA ARG B 391 11.947 -0.888 -4.562 1.00 60.43 H new ATOM 0 HB2 ARG B 391 12.852 -3.063 -4.230 1.00 73.44 H new ATOM 0 HB3 ARG B 391 13.851 -1.980 -3.282 1.00 73.44 H new ATOM 0 HG2 ARG B 391 12.446 -2.607 -1.255 1.00 12.11 H new ATOM 0 HG3 ARG B 391 11.674 -3.827 -2.249 1.00 12.11 H new ATOM 0 HD2 ARG B 391 14.638 -3.641 -1.583 1.00 50.42 H new ATOM 0 HD3 ARG B 391 13.505 -4.831 -0.974 1.00 50.42 H new ATOM 0 HE ARG B 391 13.538 -4.893 -3.858 1.00 24.03 H new ATOM 0 HH11 ARG B 391 15.411 -5.779 -1.000 1.00 24.01 H new ATOM 0 HH12 ARG B 391 16.236 -7.114 -1.812 1.00 24.01 H new ATOM 0 HH21 ARG B 391 14.601 -6.609 -4.894 1.00 53.01 H new ATOM 0 HH22 ARG B 391 15.780 -7.582 -4.007 1.00 53.01 H new ATOM 1371 N VAL B 392 10.036 -2.724 -4.341 1.00 22.02 N ATOM 1372 CA VAL B 392 8.710 -3.328 -4.318 1.00 51.32 C ATOM 1373 C VAL B 392 8.758 -4.778 -4.786 1.00 44.21 C ATOM 1374 O VAL B 392 9.568 -5.138 -5.640 1.00 64.31 O ATOM 1375 CB VAL B 392 7.723 -2.547 -5.206 1.00 30.01 C ATOM 1376 CG1 VAL B 392 8.052 -2.748 -6.677 1.00 61.31 C ATOM 1377 CG2 VAL B 392 6.291 -2.967 -4.910 1.00 21.43 C ATOM 0 H VAL B 392 10.625 -3.030 -5.115 1.00 22.02 H new ATOM 0 HA VAL B 392 8.365 -3.294 -3.285 1.00 51.32 H new ATOM 0 HB VAL B 392 7.821 -1.486 -4.978 1.00 30.01 H new ATOM 0 HG11 VAL B 392 7.344 -2.188 -7.288 1.00 61.31 H new ATOM 0 HG12 VAL B 392 9.063 -2.392 -6.876 1.00 61.31 H new ATOM 0 HG13 VAL B 392 7.985 -3.808 -6.923 1.00 61.31 H new ATOM 0 HG21 VAL B 392 5.608 -2.405 -5.547 1.00 21.43 H new ATOM 0 HG22 VAL B 392 6.176 -4.033 -5.107 1.00 21.43 H new ATOM 0 HG23 VAL B 392 6.061 -2.765 -3.864 1.00 21.43 H new ATOM 1387 N GLN B 393 7.885 -5.606 -4.221 1.00 24.10 N ATOM 1388 CA GLN B 393 7.829 -7.018 -4.580 1.00 71.04 C ATOM 1389 C GLN B 393 6.545 -7.659 -4.066 1.00 74.41 C ATOM 1390 O GLN B 393 6.252 -7.617 -2.872 1.00 3.35 O ATOM 1391 CB GLN B 393 9.044 -7.758 -4.017 1.00 54.21 C ATOM 1392 CG GLN B 393 9.169 -7.660 -2.505 1.00 53.22 C ATOM 1393 CD GLN B 393 10.493 -7.066 -2.067 1.00 24.31 C ATOM 1394 OE1 GLN B 393 11.546 -7.395 -2.615 1.00 10.03 O ATOM 1395 NE2 GLN B 393 10.448 -6.186 -1.074 1.00 51.20 N ATOM 0 H GLN B 393 7.207 -5.323 -3.513 1.00 24.10 H new ATOM 0 HA GLN B 393 7.840 -7.091 -5.667 1.00 71.04 H new ATOM 0 HB2 GLN B 393 8.983 -8.809 -4.301 1.00 54.21 H new ATOM 0 HB3 GLN B 393 9.948 -7.356 -4.475 1.00 54.21 H new ATOM 0 HG2 GLN B 393 8.354 -7.049 -2.116 1.00 53.22 H new ATOM 0 HG3 GLN B 393 9.059 -8.653 -2.070 1.00 53.22 H new ATOM 0 HE21 GLN B 393 9.554 -5.942 -0.649 1.00 51.20 H new ATOM 0 HE22 GLN B 393 11.308 -5.754 -0.736 1.00 51.20 H new ATOM 1404 N ARG B 394 5.780 -8.255 -4.976 1.00 50.44 N ATOM 1405 CA ARG B 394 4.526 -8.903 -4.615 1.00 63.45 C ATOM 1406 C ARG B 394 4.775 -10.319 -4.101 1.00 51.43 C ATOM 1407 O ARG B 394 5.896 -10.825 -4.164 1.00 15.15 O ATOM 1408 CB ARG B 394 3.583 -8.946 -5.819 1.00 42.13 C ATOM 1409 CG ARG B 394 3.487 -7.623 -6.563 1.00 34.43 C ATOM 1410 CD ARG B 394 4.433 -7.582 -7.752 1.00 50.54 C ATOM 1411 NE ARG B 394 3.728 -7.322 -9.005 1.00 24.45 N ATOM 1412 CZ ARG B 394 4.326 -7.286 -10.191 1.00 24.44 C ATOM 1413 NH1 ARG B 394 5.633 -7.493 -10.284 1.00 51.13 N ATOM 1414 NH2 ARG B 394 3.617 -7.045 -11.285 1.00 71.23 N ATOM 0 H ARG B 394 6.008 -8.302 -5.969 1.00 50.44 H new ATOM 0 HA ARG B 394 4.062 -8.321 -3.819 1.00 63.45 H new ATOM 0 HB2 ARG B 394 3.923 -9.718 -6.509 1.00 42.13 H new ATOM 0 HB3 ARG B 394 2.588 -9.237 -5.481 1.00 42.13 H new ATOM 0 HG2 ARG B 394 2.464 -7.471 -6.906 1.00 34.43 H new ATOM 0 HG3 ARG B 394 3.721 -6.804 -5.883 1.00 34.43 H new ATOM 0 HD2 ARG B 394 5.184 -6.808 -7.591 1.00 50.54 H new ATOM 0 HD3 ARG B 394 4.964 -8.531 -7.825 1.00 50.54 H new ATOM 0 HE ARG B 394 2.722 -7.159 -8.967 1.00 24.45 H new ATOM 0 HH11 ARG B 394 6.181 -7.680 -9.444 1.00 51.13 H new ATOM 0 HH12 ARG B 394 6.090 -7.465 -11.195 1.00 51.13 H new ATOM 0 HH21 ARG B 394 2.612 -6.887 -11.217 1.00 71.23 H new ATOM 0 HH22 ARG B 394 4.077 -7.018 -12.195 1.00 71.23 H new ATOM 1428 N SER B 395 3.722 -10.951 -3.593 1.00 25.41 N ATOM 1429 CA SER B 395 3.827 -12.306 -3.064 1.00 22.22 C ATOM 1430 C SER B 395 2.696 -13.184 -3.589 1.00 13.33 C ATOM 1431 O SER B 395 1.936 -12.775 -4.466 1.00 61.25 O ATOM 1432 CB SER B 395 3.802 -12.282 -1.534 1.00 73.31 C ATOM 1433 OG SER B 395 4.462 -11.135 -1.031 1.00 25.12 O ATOM 0 H SER B 395 2.787 -10.547 -3.536 1.00 25.41 H new ATOM 0 HA SER B 395 4.775 -12.728 -3.398 1.00 22.22 H new ATOM 0 HB2 SER B 395 2.770 -12.294 -1.184 1.00 73.31 H new ATOM 0 HB3 SER B 395 4.281 -13.181 -1.145 1.00 73.31 H new ATOM 0 HG SER B 395 4.572 -11.220 -0.061 1.00 25.12 H new ATOM 1439 N GLN B 396 2.590 -14.392 -3.046 1.00 22.03 N ATOM 1440 CA GLN B 396 1.552 -15.328 -3.460 1.00 25.02 C ATOM 1441 C GLN B 396 0.166 -14.781 -3.137 1.00 20.11 C ATOM 1442 O GLN B 396 -0.815 -15.116 -3.800 1.00 64.31 O ATOM 1443 CB GLN B 396 1.752 -16.681 -2.774 1.00 13.35 C ATOM 1444 CG GLN B 396 1.515 -16.642 -1.272 1.00 40.45 C ATOM 1445 CD GLN B 396 2.153 -17.812 -0.550 1.00 33.41 C ATOM 1446 OE1 GLN B 396 2.637 -18.755 -1.177 1.00 41.52 O ATOM 1447 NE2 GLN B 396 2.158 -17.758 0.777 1.00 5.10 N ATOM 0 H GLN B 396 3.211 -14.746 -2.318 1.00 22.03 H new ATOM 0 HA GLN B 396 1.628 -15.461 -4.539 1.00 25.02 H new ATOM 0 HB2 GLN B 396 1.076 -17.410 -3.221 1.00 13.35 H new ATOM 0 HB3 GLN B 396 2.767 -17.029 -2.965 1.00 13.35 H new ATOM 0 HG2 GLN B 396 1.913 -15.711 -0.869 1.00 40.45 H new ATOM 0 HG3 GLN B 396 0.443 -16.641 -1.077 1.00 40.45 H new ATOM 0 HE21 GLN B 396 1.746 -16.958 1.256 1.00 5.10 H new ATOM 0 HE22 GLN B 396 2.574 -18.517 1.317 1.00 5.10 H new ATOM 1456 N ASN B 397 0.091 -13.937 -2.114 1.00 5.22 N ATOM 1457 CA ASN B 397 -1.175 -13.343 -1.702 1.00 74.21 C ATOM 1458 C ASN B 397 -1.936 -12.796 -2.906 1.00 13.01 C ATOM 1459 O ASN B 397 -1.385 -12.622 -3.994 1.00 70.30 O ATOM 1460 CB ASN B 397 -0.933 -12.225 -0.687 1.00 11.13 C ATOM 1461 CG ASN B 397 -1.213 -12.665 0.737 1.00 33.32 C ATOM 1462 OD1 ASN B 397 -2.233 -12.301 1.323 1.00 44.11 O ATOM 1463 ND2 ASN B 397 -0.306 -13.455 1.301 1.00 45.12 N ATOM 0 H ASN B 397 0.893 -13.649 -1.554 1.00 5.22 H new ATOM 0 HA ASN B 397 -1.778 -14.122 -1.236 1.00 74.21 H new ATOM 0 HB2 ASN B 397 0.100 -11.887 -0.763 1.00 11.13 H new ATOM 0 HB3 ASN B 397 -1.566 -11.372 -0.932 1.00 11.13 H new ATOM 0 HD21 ASN B 397 -0.440 -13.785 2.257 1.00 45.12 H new ATOM 0 HD22 ASN B 397 0.525 -13.732 0.778 1.00 45.12 H new ATOM 1470 N PRO B 398 -3.233 -12.516 -2.709 1.00 40.13 N ATOM 1471 CA PRO B 398 -4.097 -11.983 -3.767 1.00 42.31 C ATOM 1472 C PRO B 398 -3.742 -10.547 -4.137 1.00 54.41 C ATOM 1473 O PRO B 398 -4.142 -10.049 -5.190 1.00 34.44 O ATOM 1474 CB PRO B 398 -5.496 -12.045 -3.148 1.00 20.23 C ATOM 1475 CG PRO B 398 -5.262 -11.991 -1.678 1.00 2.24 C ATOM 1476 CD PRO B 398 -3.956 -12.697 -1.439 1.00 44.02 C ATOM 0 HA PRO B 398 -4.001 -12.548 -4.694 1.00 42.31 H new ATOM 0 HB2 PRO B 398 -6.114 -11.211 -3.481 1.00 20.23 H new ATOM 0 HB3 PRO B 398 -6.015 -12.960 -3.433 1.00 20.23 H new ATOM 0 HG2 PRO B 398 -5.218 -10.960 -1.328 1.00 2.24 H new ATOM 0 HG3 PRO B 398 -6.073 -12.477 -1.136 1.00 2.24 H new ATOM 0 HD2 PRO B 398 -3.411 -12.262 -0.601 1.00 44.02 H new ATOM 0 HD3 PRO B 398 -4.106 -13.752 -1.209 1.00 44.02 H new ATOM 1484 N LEU B 399 -2.989 -9.885 -3.266 1.00 31.05 N ATOM 1485 CA LEU B 399 -2.579 -8.506 -3.501 1.00 53.41 C ATOM 1486 C LEU B 399 -1.713 -7.992 -2.355 1.00 45.24 C ATOM 1487 O LEU B 399 -2.045 -6.999 -1.708 1.00 4.24 O ATOM 1488 CB LEU B 399 -3.808 -7.610 -3.668 1.00 2.32 C ATOM 1489 CG LEU B 399 -3.739 -6.579 -4.796 1.00 3.34 C ATOM 1490 CD1 LEU B 399 -2.561 -5.640 -4.590 1.00 45.43 C ATOM 1491 CD2 LEU B 399 -3.640 -7.273 -6.147 1.00 15.25 C ATOM 0 H LEU B 399 -2.650 -10.282 -2.390 1.00 31.05 H new ATOM 0 HA LEU B 399 -1.989 -8.479 -4.417 1.00 53.41 H new ATOM 0 HB2 LEU B 399 -4.677 -8.246 -3.837 1.00 2.32 H new ATOM 0 HB3 LEU B 399 -3.978 -7.082 -2.730 1.00 2.32 H new ATOM 0 HG LEU B 399 -4.655 -5.988 -4.779 1.00 3.34 H new ATOM 0 HD11 LEU B 399 -2.528 -4.914 -5.402 1.00 45.43 H new ATOM 0 HD12 LEU B 399 -2.674 -5.117 -3.640 1.00 45.43 H new ATOM 0 HD13 LEU B 399 -1.635 -6.215 -4.580 1.00 45.43 H new ATOM 0 HD21 LEU B 399 -3.592 -6.524 -6.938 1.00 15.25 H new ATOM 0 HD22 LEU B 399 -2.741 -7.889 -6.175 1.00 15.25 H new ATOM 0 HD23 LEU B 399 -4.516 -7.904 -6.297 1.00 15.25 H new ATOM 1503 N LYS B 400 -0.598 -8.673 -2.112 1.00 22.42 N ATOM 1504 CA LYS B 400 0.320 -8.284 -1.047 1.00 62.53 C ATOM 1505 C LYS B 400 1.590 -7.665 -1.623 1.00 72.32 C ATOM 1506 O LYS B 400 2.387 -8.348 -2.267 1.00 62.31 O ATOM 1507 CB LYS B 400 0.677 -9.499 -0.186 1.00 53.50 C ATOM 1508 CG LYS B 400 1.627 -9.176 0.954 1.00 21.14 C ATOM 1509 CD LYS B 400 2.308 -10.427 1.483 1.00 61.41 C ATOM 1510 CE LYS B 400 1.443 -11.140 2.512 1.00 23.03 C ATOM 1511 NZ LYS B 400 1.997 -12.476 2.871 1.00 14.54 N ATOM 0 H LYS B 400 -0.308 -9.497 -2.638 1.00 22.42 H new ATOM 0 HA LYS B 400 -0.177 -7.539 -0.426 1.00 62.53 H new ATOM 0 HB2 LYS B 400 -0.239 -9.925 0.224 1.00 53.50 H new ATOM 0 HB3 LYS B 400 1.128 -10.263 -0.819 1.00 53.50 H new ATOM 0 HG2 LYS B 400 2.381 -8.467 0.611 1.00 21.14 H new ATOM 0 HG3 LYS B 400 1.077 -8.691 1.761 1.00 21.14 H new ATOM 0 HD2 LYS B 400 2.523 -11.103 0.655 1.00 61.41 H new ATOM 0 HD3 LYS B 400 3.264 -10.160 1.933 1.00 61.41 H new ATOM 0 HE2 LYS B 400 1.365 -10.526 3.409 1.00 23.03 H new ATOM 0 HE3 LYS B 400 0.434 -11.259 2.118 1.00 23.03 H new ATOM 0 HZ1 LYS B 400 1.345 -12.958 3.522 1.00 14.54 H new ATOM 0 HZ2 LYS B 400 2.112 -13.047 2.009 1.00 14.54 H new ATOM 0 HZ3 LYS B 400 2.921 -12.356 3.332 1.00 14.54 H new ATOM 1525 N ILE B 401 1.771 -6.371 -1.385 1.00 63.40 N ATOM 1526 CA ILE B 401 2.945 -5.662 -1.877 1.00 5.10 C ATOM 1527 C ILE B 401 3.970 -5.456 -0.766 1.00 72.43 C ATOM 1528 O ILE B 401 3.720 -4.731 0.196 1.00 34.42 O ATOM 1529 CB ILE B 401 2.568 -4.292 -2.471 1.00 71.01 C ATOM 1530 CG1 ILE B 401 1.289 -4.408 -3.303 1.00 44.44 C ATOM 1531 CG2 ILE B 401 3.710 -3.749 -3.318 1.00 20.32 C ATOM 1532 CD1 ILE B 401 0.058 -3.889 -2.594 1.00 50.03 C ATOM 0 H ILE B 401 1.120 -5.792 -0.855 1.00 63.40 H new ATOM 0 HA ILE B 401 3.381 -6.282 -2.661 1.00 5.10 H new ATOM 0 HB ILE B 401 2.386 -3.595 -1.653 1.00 71.01 H new ATOM 0 HG12 ILE B 401 1.420 -3.858 -4.235 1.00 44.44 H new ATOM 0 HG13 ILE B 401 1.132 -5.453 -3.569 1.00 44.44 H new ATOM 0 HG21 ILE B 401 3.428 -2.780 -3.731 1.00 20.32 H new ATOM 0 HG22 ILE B 401 4.600 -3.635 -2.699 1.00 20.32 H new ATOM 0 HG23 ILE B 401 3.921 -4.443 -4.132 1.00 20.32 H new ATOM 0 HD11 ILE B 401 -0.811 -4.003 -3.243 1.00 50.03 H new ATOM 0 HD12 ILE B 401 -0.099 -4.455 -1.676 1.00 50.03 H new ATOM 0 HD13 ILE B 401 0.195 -2.835 -2.352 1.00 50.03 H new ATOM 1544 N ARG B 402 5.125 -6.100 -0.908 1.00 1.53 N ATOM 1545 CA ARG B 402 6.188 -5.987 0.083 1.00 14.44 C ATOM 1546 C ARG B 402 7.111 -4.815 -0.240 1.00 24.13 C ATOM 1547 O ARG B 402 7.930 -4.892 -1.156 1.00 62.14 O ATOM 1548 CB ARG B 402 6.995 -7.284 0.146 1.00 25.31 C ATOM 1549 CG ARG B 402 6.862 -8.022 1.468 1.00 61.13 C ATOM 1550 CD ARG B 402 8.014 -7.698 2.405 1.00 22.32 C ATOM 1551 NE ARG B 402 9.300 -8.130 1.862 1.00 52.03 N ATOM 1552 CZ ARG B 402 10.396 -8.275 2.597 1.00 21.44 C ATOM 1553 NH1 ARG B 402 10.364 -8.025 3.899 1.00 63.35 N ATOM 1554 NH2 ARG B 402 11.528 -8.671 2.030 1.00 62.32 N ATOM 0 H ARG B 402 5.348 -6.704 -1.699 1.00 1.53 H new ATOM 0 HA ARG B 402 5.727 -5.806 1.054 1.00 14.44 H new ATOM 0 HB2 ARG B 402 6.673 -7.942 -0.661 1.00 25.31 H new ATOM 0 HB3 ARG B 402 8.047 -7.056 -0.029 1.00 25.31 H new ATOM 0 HG2 ARG B 402 5.919 -7.753 1.943 1.00 61.13 H new ATOM 0 HG3 ARG B 402 6.832 -9.096 1.285 1.00 61.13 H new ATOM 0 HD2 ARG B 402 8.041 -6.624 2.589 1.00 22.32 H new ATOM 0 HD3 ARG B 402 7.846 -8.182 3.367 1.00 22.32 H new ATOM 0 HE ARG B 402 9.359 -8.331 0.864 1.00 52.03 H new ATOM 0 HH11 ARG B 402 9.495 -7.720 4.339 1.00 63.35 H new ATOM 0 HH12 ARG B 402 11.208 -8.137 4.461 1.00 63.35 H new ATOM 0 HH21 ARG B 402 11.557 -8.864 1.029 1.00 62.32 H new ATOM 0 HH22 ARG B 402 12.370 -8.782 2.595 1.00 62.32 H new ATOM 1568 N LEU B 403 6.973 -3.733 0.517 1.00 33.41 N ATOM 1569 CA LEU B 403 7.794 -2.545 0.311 1.00 23.42 C ATOM 1570 C LEU B 403 8.896 -2.456 1.363 1.00 74.02 C ATOM 1571 O LEU B 403 8.669 -2.732 2.541 1.00 14.24 O ATOM 1572 CB LEU B 403 6.926 -1.287 0.359 1.00 52.31 C ATOM 1573 CG LEU B 403 6.229 -0.903 -0.948 1.00 13.41 C ATOM 1574 CD1 LEU B 403 5.983 -2.136 -1.803 1.00 41.32 C ATOM 1575 CD2 LEU B 403 4.921 -0.180 -0.661 1.00 70.42 C ATOM 0 H LEU B 403 6.300 -3.653 1.279 1.00 33.41 H new ATOM 0 HA LEU B 403 8.260 -2.621 -0.672 1.00 23.42 H new ATOM 0 HB2 LEU B 403 6.165 -1.424 1.127 1.00 52.31 H new ATOM 0 HB3 LEU B 403 7.550 -0.451 0.674 1.00 52.31 H new ATOM 0 HG LEU B 403 6.881 -0.227 -1.501 1.00 13.41 H new ATOM 0 HD11 LEU B 403 5.487 -1.844 -2.728 1.00 41.32 H new ATOM 0 HD12 LEU B 403 6.935 -2.613 -2.037 1.00 41.32 H new ATOM 0 HD13 LEU B 403 5.351 -2.837 -1.258 1.00 41.32 H new ATOM 0 HD21 LEU B 403 4.438 0.086 -1.601 1.00 70.42 H new ATOM 0 HD22 LEU B 403 4.263 -0.832 -0.087 1.00 70.42 H new ATOM 0 HD23 LEU B 403 5.124 0.725 -0.089 1.00 70.42 H new ATOM 1587 N THR B 404 10.091 -2.066 0.929 1.00 72.13 N ATOM 1588 CA THR B 404 11.228 -1.940 1.831 1.00 14.35 C ATOM 1589 C THR B 404 12.202 -0.874 1.343 1.00 53.34 C ATOM 1590 O THR B 404 12.383 -0.691 0.139 1.00 2.11 O ATOM 1591 CB THR B 404 11.979 -3.276 1.980 1.00 30.04 C ATOM 1592 OG1 THR B 404 12.680 -3.581 0.770 1.00 60.02 O ATOM 1593 CG2 THR B 404 11.014 -4.405 2.312 1.00 62.35 C ATOM 0 H THR B 404 10.296 -1.832 -0.042 1.00 72.13 H new ATOM 0 HA THR B 404 10.829 -1.646 2.802 1.00 14.35 H new ATOM 0 HB THR B 404 12.693 -3.177 2.798 1.00 30.04 H new ATOM 0 HG1 THR B 404 13.559 -3.957 0.987 1.00 60.02 H new ATOM 0 HG21 THR B 404 11.567 -5.339 2.412 1.00 62.35 H new ATOM 0 HG22 THR B 404 10.503 -4.183 3.249 1.00 62.35 H new ATOM 0 HG23 THR B 404 10.279 -4.503 1.513 1.00 62.35 H new ATOM 1601 N ARG B 405 12.825 -0.173 2.284 1.00 44.15 N ATOM 1602 CA ARG B 405 13.781 0.876 1.948 1.00 71.33 C ATOM 1603 C ARG B 405 14.793 0.380 0.919 1.00 52.23 C ATOM 1604 O ARG B 405 15.771 -0.283 1.264 1.00 54.12 O ATOM 1605 CB ARG B 405 14.510 1.354 3.205 1.00 34.50 C ATOM 1606 CG ARG B 405 13.664 2.248 4.096 1.00 12.14 C ATOM 1607 CD ARG B 405 14.446 2.728 5.309 1.00 43.15 C ATOM 1608 NE ARG B 405 15.833 3.043 4.976 1.00 51.45 N ATOM 1609 CZ ARG B 405 16.191 4.088 4.236 1.00 1.40 C ATOM 1610 NH1 ARG B 405 15.270 4.912 3.757 1.00 12.41 N ATOM 1611 NH2 ARG B 405 17.473 4.309 3.976 1.00 45.14 N ATOM 0 H ARG B 405 12.685 -0.312 3.285 1.00 44.15 H new ATOM 0 HA ARG B 405 13.229 1.711 1.517 1.00 71.33 H new ATOM 0 HB2 ARG B 405 14.835 0.486 3.779 1.00 34.50 H new ATOM 0 HB3 ARG B 405 15.409 1.895 2.910 1.00 34.50 H new ATOM 0 HG2 ARG B 405 13.315 3.107 3.524 1.00 12.14 H new ATOM 0 HG3 ARG B 405 12.779 1.703 4.425 1.00 12.14 H new ATOM 0 HD2 ARG B 405 13.963 3.612 5.725 1.00 43.15 H new ATOM 0 HD3 ARG B 405 14.424 1.960 6.082 1.00 43.15 H new ATOM 0 HE ARG B 405 16.566 2.428 5.330 1.00 51.45 H new ATOM 0 HH11 ARG B 405 14.284 4.745 3.956 1.00 12.41 H new ATOM 0 HH12 ARG B 405 15.548 5.713 3.190 1.00 12.41 H new ATOM 0 HH21 ARG B 405 18.184 3.677 4.344 1.00 45.14 H new ATOM 0 HH22 ARG B 405 17.747 5.111 3.408 1.00 45.14 H new TER 1625 ARG B 405