USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=20 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 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 607 CYS SG : rot -102:sc= 0.616 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl 180:sc= -3.64 (180deg=-3.64) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 GLN : amide:sc= -0.0488 K(o=-0.049,f=-0.68) USER MOD Single : A 619 SER OG : rot -56:sc= 0.98 USER MOD Single : A 623 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 150:sc= -0.115 (180deg=-0.193) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 638 GLN : amide:sc= -3.87! K(o=-3.9!,f=-1.3) USER MOD Single : A 639 SER OG : rot 180:sc= 0 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= -0.0261 X(o=-0.026,f=-0.0059) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.7!) 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 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 150:sc= -0.761 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot 140:sc= -0.337 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 -1:sc= 0.771 USER MOD Single : B 393 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 395 SER OG : rot 180:sc= 0.146 USER MOD Single : B 396 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 397 ASN : amide:sc= -3.52! C(o=-3.5!,f=-5.3!) USER MOD Single : B 400 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0019) USER MOD Single : B 404 THR OG1 : rot 180:sc= -0.654 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -20.827 7.276 18.872 1.00 64.13 N ATOM 2 CA GLU A 600 -21.021 7.513 17.447 1.00 53.33 C ATOM 3 C GLU A 600 -19.704 7.380 16.687 1.00 11.21 C ATOM 4 O GLU A 600 -18.626 7.500 17.269 1.00 61.34 O ATOM 5 CB GLU A 600 -21.618 8.903 17.216 1.00 51.14 C ATOM 6 CG GLU A 600 -22.849 8.896 16.325 1.00 13.51 C ATOM 7 CD GLU A 600 -24.085 9.415 17.035 1.00 70.55 C ATOM 8 OE1 GLU A 600 -24.331 8.989 18.182 1.00 53.23 O ATOM 9 OE2 GLU A 600 -24.805 10.245 16.442 1.00 52.33 O ATOM 0 HA GLU A 600 -21.714 6.760 17.071 1.00 53.33 H new ATOM 0 HB2 GLU A 600 -21.879 9.342 18.179 1.00 51.14 H new ATOM 0 HB3 GLU A 600 -20.859 9.545 16.768 1.00 51.14 H new ATOM 0 HG2 GLU A 600 -22.658 9.507 15.443 1.00 13.51 H new ATOM 0 HG3 GLU A 600 -23.035 7.880 15.976 1.00 13.51 H new ATOM 16 N SER A 601 -19.801 7.132 15.386 1.00 60.13 N ATOM 17 CA SER A 601 -18.617 6.979 14.547 1.00 74.23 C ATOM 18 C SER A 601 -18.673 7.925 13.351 1.00 73.55 C ATOM 19 O SER A 601 -17.955 8.922 13.303 1.00 74.05 O ATOM 20 CB SER A 601 -18.494 5.533 14.062 1.00 30.15 C ATOM 21 OG SER A 601 -19.736 4.856 14.156 1.00 64.51 O ATOM 0 H SER A 601 -20.686 7.033 14.889 1.00 60.13 H new ATOM 0 HA SER A 601 -17.742 7.230 15.146 1.00 74.23 H new ATOM 0 HB2 SER A 601 -18.147 5.521 13.029 1.00 30.15 H new ATOM 0 HB3 SER A 601 -17.745 5.009 14.656 1.00 30.15 H new ATOM 0 HG SER A 601 -19.631 3.935 13.839 1.00 64.51 H new ATOM 27 N GLU A 602 -19.532 7.602 12.389 1.00 63.25 N ATOM 28 CA GLU A 602 -19.681 8.421 11.192 1.00 4.11 C ATOM 29 C GLU A 602 -18.332 8.640 10.511 1.00 74.44 C ATOM 30 O GLU A 602 -18.005 9.754 10.103 1.00 25.35 O ATOM 31 CB GLU A 602 -20.308 9.771 11.546 1.00 33.45 C ATOM 32 CG GLU A 602 -21.694 9.654 12.161 1.00 0.32 C ATOM 33 CD GLU A 602 -22.783 9.494 11.118 1.00 14.24 C ATOM 34 OE1 GLU A 602 -22.772 8.471 10.402 1.00 51.23 O ATOM 35 OE2 GLU A 602 -23.646 10.392 11.018 1.00 23.54 O ATOM 0 H GLU A 602 -20.135 6.780 12.415 1.00 63.25 H new ATOM 0 HA GLU A 602 -20.337 7.892 10.501 1.00 4.11 H new ATOM 0 HB2 GLU A 602 -19.653 10.295 12.242 1.00 33.45 H new ATOM 0 HB3 GLU A 602 -20.369 10.381 10.645 1.00 33.45 H new ATOM 0 HG2 GLU A 602 -21.716 8.800 12.838 1.00 0.32 H new ATOM 0 HG3 GLU A 602 -21.898 10.541 12.760 1.00 0.32 H new ATOM 42 N GLU A 603 -17.556 7.566 10.391 1.00 43.32 N ATOM 43 CA GLU A 603 -16.243 7.641 9.761 1.00 55.43 C ATOM 44 C GLU A 603 -15.586 6.265 9.708 1.00 13.00 C ATOM 45 O GLU A 603 -15.462 5.666 8.640 1.00 32.41 O ATOM 46 CB GLU A 603 -15.344 8.620 10.518 1.00 30.42 C ATOM 47 CG GLU A 603 -14.963 9.848 9.709 1.00 53.32 C ATOM 48 CD GLU A 603 -13.473 10.124 9.735 1.00 43.44 C ATOM 49 OE1 GLU A 603 -12.704 9.291 9.210 1.00 34.32 O ATOM 50 OE2 GLU A 603 -13.074 11.176 10.278 1.00 40.11 O ATOM 0 H GLU A 603 -17.814 6.636 10.721 1.00 43.32 H new ATOM 0 HA GLU A 603 -16.378 7.999 8.740 1.00 55.43 H new ATOM 0 HB2 GLU A 603 -15.853 8.938 11.428 1.00 30.42 H new ATOM 0 HB3 GLU A 603 -14.436 8.102 10.826 1.00 30.42 H new ATOM 0 HG2 GLU A 603 -15.286 9.713 8.677 1.00 53.32 H new ATOM 0 HG3 GLU A 603 -15.496 10.715 10.099 1.00 53.32 H new ATOM 57 N GLU A 604 -15.166 5.772 10.869 1.00 63.34 N ATOM 58 CA GLU A 604 -14.520 4.467 10.955 1.00 42.03 C ATOM 59 C GLU A 604 -15.391 3.386 10.321 1.00 43.32 C ATOM 60 O GLU A 604 -14.884 2.447 9.706 1.00 52.30 O ATOM 61 CB GLU A 604 -14.231 4.112 12.414 1.00 24.15 C ATOM 62 CG GLU A 604 -15.401 4.369 13.348 1.00 14.04 C ATOM 63 CD GLU A 604 -15.768 3.151 14.173 1.00 0.12 C ATOM 64 OE1 GLU A 604 -14.909 2.680 14.948 1.00 1.10 O ATOM 65 OE2 GLU A 604 -16.913 2.669 14.046 1.00 43.35 O ATOM 0 H GLU A 604 -15.261 6.256 11.762 1.00 63.34 H new ATOM 0 HA GLU A 604 -13.579 4.519 10.407 1.00 42.03 H new ATOM 0 HB2 GLU A 604 -13.954 3.060 12.475 1.00 24.15 H new ATOM 0 HB3 GLU A 604 -13.371 4.689 12.756 1.00 24.15 H new ATOM 0 HG2 GLU A 604 -15.153 5.194 14.016 1.00 14.04 H new ATOM 0 HG3 GLU A 604 -16.266 4.681 12.763 1.00 14.04 H new ATOM 72 N ASP A 605 -16.702 3.525 10.475 1.00 54.55 N ATOM 73 CA ASP A 605 -17.644 2.562 9.917 1.00 53.52 C ATOM 74 C ASP A 605 -18.124 3.006 8.538 1.00 64.31 C ATOM 75 O ASP A 605 -18.523 2.184 7.713 1.00 24.33 O ATOM 76 CB ASP A 605 -18.841 2.385 10.853 1.00 4.24 C ATOM 77 CG ASP A 605 -19.203 0.927 11.061 1.00 3.25 C ATOM 78 OD1 ASP A 605 -18.282 0.115 11.288 1.00 22.43 O ATOM 79 OD2 ASP A 605 -20.405 0.599 10.997 1.00 34.15 O ATOM 0 H ASP A 605 -17.137 4.296 10.982 1.00 54.55 H new ATOM 0 HA ASP A 605 -17.129 1.607 9.813 1.00 53.52 H new ATOM 0 HB2 ASP A 605 -18.615 2.841 11.817 1.00 4.24 H new ATOM 0 HB3 ASP A 605 -19.701 2.915 10.443 1.00 4.24 H new ATOM 84 N LYS A 606 -18.083 4.312 8.296 1.00 12.20 N ATOM 85 CA LYS A 606 -18.514 4.867 7.018 1.00 61.33 C ATOM 86 C LYS A 606 -17.606 4.393 5.886 1.00 14.12 C ATOM 87 O LYS A 606 -18.042 4.262 4.742 1.00 53.32 O ATOM 88 CB LYS A 606 -18.516 6.396 7.078 1.00 53.33 C ATOM 89 CG LYS A 606 -19.895 7.009 6.906 1.00 52.44 C ATOM 90 CD LYS A 606 -19.922 8.008 5.761 1.00 33.01 C ATOM 91 CE LYS A 606 -21.317 8.141 5.170 1.00 10.21 C ATOM 92 NZ LYS A 606 -21.870 9.512 5.356 1.00 30.14 N ATOM 0 H LYS A 606 -17.756 5.006 8.968 1.00 12.20 H new ATOM 0 HA LYS A 606 -19.527 4.516 6.820 1.00 61.33 H new ATOM 0 HB2 LYS A 606 -18.103 6.714 8.035 1.00 53.33 H new ATOM 0 HB3 LYS A 606 -17.856 6.783 6.301 1.00 53.33 H new ATOM 0 HG2 LYS A 606 -20.624 6.220 6.719 1.00 52.44 H new ATOM 0 HG3 LYS A 606 -20.192 7.505 7.830 1.00 52.44 H new ATOM 0 HD2 LYS A 606 -19.582 8.981 6.117 1.00 33.01 H new ATOM 0 HD3 LYS A 606 -19.225 7.692 4.985 1.00 33.01 H new ATOM 0 HE2 LYS A 606 -21.285 7.903 4.107 1.00 10.21 H new ATOM 0 HE3 LYS A 606 -21.981 7.415 5.639 1.00 10.21 H new ATOM 0 HZ1 LYS A 606 -22.822 9.562 4.940 1.00 30.14 H new ATOM 0 HZ2 LYS A 606 -21.924 9.730 6.372 1.00 30.14 H new ATOM 0 HZ3 LYS A 606 -21.250 10.203 4.887 1.00 30.14 H new ATOM 106 N CYS A 607 -16.345 4.136 6.214 1.00 40.21 N ATOM 107 CA CYS A 607 -15.377 3.676 5.225 1.00 50.40 C ATOM 108 C CYS A 607 -15.938 2.512 4.415 1.00 54.32 C ATOM 109 O CYS A 607 -16.570 1.608 4.962 1.00 3.50 O ATOM 110 CB CYS A 607 -14.077 3.256 5.911 1.00 64.31 C ATOM 111 SG CYS A 607 -14.193 1.701 6.826 1.00 14.21 S ATOM 0 H CYS A 607 -15.969 4.238 7.157 1.00 40.21 H new ATOM 0 HA CYS A 607 -15.170 4.502 4.544 1.00 50.40 H new ATOM 0 HB2 CYS A 607 -13.295 3.164 5.158 1.00 64.31 H new ATOM 0 HB3 CYS A 607 -13.769 4.046 6.596 1.00 64.31 H new ATOM 0 HG CYS A 607 -14.295 1.952 8.097 1.00 14.21 H new ATOM 117 N LYS A 608 -15.706 2.542 3.107 1.00 63.03 N ATOM 118 CA LYS A 608 -16.188 1.490 2.220 1.00 2.00 C ATOM 119 C LYS A 608 -15.080 0.488 1.912 1.00 32.35 C ATOM 120 O LYS A 608 -13.892 0.809 1.944 1.00 51.40 O ATOM 121 CB LYS A 608 -16.718 2.095 0.918 1.00 2.43 C ATOM 122 CG LYS A 608 -17.840 3.098 1.127 1.00 61.44 C ATOM 123 CD LYS A 608 -18.995 2.489 1.904 1.00 41.21 C ATOM 124 CE LYS A 608 -20.285 3.261 1.680 1.00 15.41 C ATOM 125 NZ LYS A 608 -21.484 2.386 1.804 1.00 41.25 N ATOM 0 H LYS A 608 -15.187 3.284 2.638 1.00 63.03 H new ATOM 0 HA LYS A 608 -16.998 0.966 2.727 1.00 2.00 H new ATOM 0 HB2 LYS A 608 -15.897 2.584 0.394 1.00 2.43 H new ATOM 0 HB3 LYS A 608 -17.075 1.292 0.273 1.00 2.43 H new ATOM 0 HG2 LYS A 608 -17.458 3.967 1.663 1.00 61.44 H new ATOM 0 HG3 LYS A 608 -18.197 3.452 0.160 1.00 61.44 H new ATOM 0 HD2 LYS A 608 -19.133 1.452 1.599 1.00 41.21 H new ATOM 0 HD3 LYS A 608 -18.755 2.480 2.967 1.00 41.21 H new ATOM 0 HE2 LYS A 608 -20.352 4.074 2.403 1.00 15.41 H new ATOM 0 HE3 LYS A 608 -20.268 3.716 0.690 1.00 15.41 H new ATOM 0 HZ1 LYS A 608 -22.343 2.950 1.644 1.00 41.25 H new ATOM 0 HZ2 LYS A 608 -21.433 1.625 1.097 1.00 41.25 H new ATOM 0 HZ3 LYS A 608 -21.514 1.971 2.757 1.00 41.25 H new ATOM 139 N PRO A 609 -15.476 -0.758 1.607 1.00 2.51 N ATOM 140 CA PRO A 609 -14.531 -1.831 1.286 1.00 32.32 C ATOM 141 C PRO A 609 -13.843 -1.615 -0.057 1.00 24.42 C ATOM 142 O PRO A 609 -14.318 -0.848 -0.893 1.00 12.31 O ATOM 143 CB PRO A 609 -15.417 -3.079 1.238 1.00 63.21 C ATOM 144 CG PRO A 609 -16.777 -2.567 0.908 1.00 63.55 C ATOM 145 CD PRO A 609 -16.875 -1.211 1.550 1.00 33.41 C ATOM 0 HA PRO A 609 -13.721 -1.893 2.013 1.00 32.32 H new ATOM 0 HB2 PRO A 609 -15.066 -3.785 0.485 1.00 63.21 H new ATOM 0 HB3 PRO A 609 -15.413 -3.604 2.193 1.00 63.21 H new ATOM 0 HG2 PRO A 609 -16.917 -2.499 -0.171 1.00 63.55 H new ATOM 0 HG3 PRO A 609 -17.549 -3.236 1.289 1.00 63.55 H new ATOM 0 HD2 PRO A 609 -17.493 -0.532 0.963 1.00 33.41 H new ATOM 0 HD3 PRO A 609 -17.320 -1.268 2.544 1.00 33.41 H new ATOM 153 N MET A 610 -12.720 -2.298 -0.258 1.00 71.30 N ATOM 154 CA MET A 610 -11.966 -2.182 -1.501 1.00 15.05 C ATOM 155 C MET A 610 -11.715 -3.555 -2.115 1.00 74.21 C ATOM 156 O MET A 610 -10.901 -4.330 -1.614 1.00 62.23 O ATOM 157 CB MET A 610 -10.636 -1.471 -1.251 1.00 1.35 C ATOM 158 CG MET A 610 -10.787 -0.111 -0.590 1.00 14.22 C ATOM 159 SD MET A 610 -10.574 1.252 -1.750 1.00 1.50 S ATOM 160 CE MET A 610 -8.860 1.033 -2.220 1.00 2.13 C ATOM 0 H MET A 610 -12.312 -2.937 0.424 1.00 71.30 H new ATOM 0 HA MET A 610 -12.558 -1.593 -2.202 1.00 15.05 H new ATOM 0 HB2 MET A 610 -10.008 -2.103 -0.623 1.00 1.35 H new ATOM 0 HB3 MET A 610 -10.115 -1.348 -2.201 1.00 1.35 H new ATOM 0 HG2 MET A 610 -11.773 -0.042 -0.131 1.00 14.22 H new ATOM 0 HG3 MET A 610 -10.055 -0.018 0.212 1.00 14.22 H new ATOM 0 HE1 MET A 610 -8.578 1.804 -2.937 1.00 2.13 H new ATOM 0 HE2 MET A 610 -8.227 1.111 -1.336 1.00 2.13 H new ATOM 0 HE3 MET A 610 -8.730 0.051 -2.674 1.00 2.13 H new ATOM 170 N SER A 611 -12.421 -3.851 -3.202 1.00 41.54 N ATOM 171 CA SER A 611 -12.278 -5.132 -3.883 1.00 5.10 C ATOM 172 C SER A 611 -10.859 -5.307 -4.417 1.00 21.12 C ATOM 173 O SER A 611 -10.094 -4.347 -4.507 1.00 53.32 O ATOM 174 CB SER A 611 -13.284 -5.240 -5.030 1.00 44.23 C ATOM 175 OG SER A 611 -14.200 -6.297 -4.807 1.00 12.02 O ATOM 0 H SER A 611 -13.098 -3.220 -3.630 1.00 41.54 H new ATOM 0 HA SER A 611 -12.477 -5.924 -3.161 1.00 5.10 H new ATOM 0 HB2 SER A 611 -13.826 -4.300 -5.132 1.00 44.23 H new ATOM 0 HB3 SER A 611 -12.754 -5.406 -5.968 1.00 44.23 H new ATOM 0 HG SER A 611 -14.833 -6.344 -5.553 1.00 12.02 H new ATOM 181 N TYR A 612 -10.515 -6.541 -4.768 1.00 64.31 N ATOM 182 CA TYR A 612 -9.188 -6.844 -5.292 1.00 30.45 C ATOM 183 C TYR A 612 -8.828 -5.909 -6.442 1.00 33.45 C ATOM 184 O TYR A 612 -7.670 -5.527 -6.606 1.00 72.42 O ATOM 185 CB TYR A 612 -9.123 -8.298 -5.762 1.00 23.32 C ATOM 186 CG TYR A 612 -10.321 -8.724 -6.580 1.00 23.50 C ATOM 187 CD1 TYR A 612 -10.398 -8.438 -7.937 1.00 21.42 C ATOM 188 CD2 TYR A 612 -11.375 -9.415 -5.995 1.00 20.24 C ATOM 189 CE1 TYR A 612 -11.491 -8.826 -8.688 1.00 2.43 C ATOM 190 CE2 TYR A 612 -12.472 -9.807 -6.738 1.00 51.21 C ATOM 191 CZ TYR A 612 -12.526 -9.509 -8.084 1.00 24.15 C ATOM 192 OH TYR A 612 -13.615 -9.898 -8.828 1.00 54.25 O ATOM 0 H TYR A 612 -11.136 -7.347 -4.699 1.00 64.31 H new ATOM 0 HA TYR A 612 -8.466 -6.695 -4.489 1.00 30.45 H new ATOM 0 HB2 TYR A 612 -8.220 -8.439 -6.355 1.00 23.32 H new ATOM 0 HB3 TYR A 612 -9.038 -8.949 -4.892 1.00 23.32 H new ATOM 0 HD1 TYR A 612 -9.590 -7.903 -8.413 1.00 21.42 H new ATOM 0 HD2 TYR A 612 -11.336 -9.650 -4.942 1.00 20.24 H new ATOM 0 HE1 TYR A 612 -11.535 -8.596 -9.742 1.00 2.43 H new ATOM 0 HE2 TYR A 612 -13.283 -10.344 -6.268 1.00 51.21 H new ATOM 0 HH TYR A 612 -14.253 -10.369 -8.252 1.00 54.25 H new ATOM 202 N GLU A 613 -9.831 -5.544 -7.235 1.00 11.25 N ATOM 203 CA GLU A 613 -9.621 -4.654 -8.369 1.00 41.52 C ATOM 204 C GLU A 613 -9.039 -3.318 -7.913 1.00 70.41 C ATOM 205 O GLU A 613 -8.017 -2.868 -8.429 1.00 1.32 O ATOM 206 CB GLU A 613 -10.937 -4.421 -9.114 1.00 53.53 C ATOM 207 CG GLU A 613 -10.775 -4.325 -10.622 1.00 51.21 C ATOM 208 CD GLU A 613 -12.070 -3.969 -11.326 1.00 22.41 C ATOM 209 OE1 GLU A 613 -13.148 -4.212 -10.744 1.00 5.41 O ATOM 210 OE2 GLU A 613 -12.005 -3.449 -12.460 1.00 75.31 O ATOM 0 H GLU A 613 -10.796 -5.851 -7.112 1.00 11.25 H new ATOM 0 HA GLU A 613 -8.909 -5.130 -9.043 1.00 41.52 H new ATOM 0 HB2 GLU A 613 -11.625 -5.234 -8.882 1.00 53.53 H new ATOM 0 HB3 GLU A 613 -11.395 -3.502 -8.747 1.00 53.53 H new ATOM 0 HG2 GLU A 613 -10.020 -3.574 -10.856 1.00 51.21 H new ATOM 0 HG3 GLU A 613 -10.407 -5.277 -11.006 1.00 51.21 H new ATOM 217 N GLU A 614 -9.699 -2.693 -6.944 1.00 41.43 N ATOM 218 CA GLU A 614 -9.247 -1.408 -6.420 1.00 32.42 C ATOM 219 C GLU A 614 -7.786 -1.481 -5.986 1.00 33.10 C ATOM 220 O GLU A 614 -6.931 -0.780 -6.526 1.00 4.21 O ATOM 221 CB GLU A 614 -10.121 -0.980 -5.238 1.00 44.04 C ATOM 222 CG GLU A 614 -10.828 0.348 -5.455 1.00 72.45 C ATOM 223 CD GLU A 614 -12.189 0.184 -6.107 1.00 4.02 C ATOM 224 OE1 GLU A 614 -12.300 -0.625 -7.052 1.00 43.21 O ATOM 225 OE2 GLU A 614 -13.141 0.864 -5.672 1.00 2.10 O ATOM 0 H GLU A 614 -10.547 -3.054 -6.506 1.00 41.43 H new ATOM 0 HA GLU A 614 -9.335 -0.668 -7.215 1.00 32.42 H new ATOM 0 HB2 GLU A 614 -10.866 -1.753 -5.049 1.00 44.04 H new ATOM 0 HB3 GLU A 614 -9.501 -0.910 -4.344 1.00 44.04 H new ATOM 0 HG2 GLU A 614 -10.947 0.853 -4.496 1.00 72.45 H new ATOM 0 HG3 GLU A 614 -10.205 0.990 -6.079 1.00 72.45 H new ATOM 232 N LYS A 615 -7.508 -2.334 -5.006 1.00 65.53 N ATOM 233 CA LYS A 615 -6.152 -2.501 -4.499 1.00 23.51 C ATOM 234 C LYS A 615 -5.194 -2.888 -5.622 1.00 33.42 C ATOM 235 O LYS A 615 -4.057 -2.419 -5.669 1.00 45.00 O ATOM 236 CB LYS A 615 -6.123 -3.567 -3.401 1.00 2.22 C ATOM 237 CG LYS A 615 -6.866 -4.839 -3.768 1.00 54.03 C ATOM 238 CD LYS A 615 -6.726 -5.900 -2.688 1.00 41.22 C ATOM 239 CE LYS A 615 -8.050 -6.162 -1.989 1.00 2.13 C ATOM 240 NZ LYS A 615 -8.217 -7.600 -1.639 1.00 30.33 N ATOM 0 H LYS A 615 -8.205 -2.921 -4.547 1.00 65.53 H new ATOM 0 HA LYS A 615 -5.828 -1.548 -4.081 1.00 23.51 H new ATOM 0 HB2 LYS A 615 -5.086 -3.815 -3.174 1.00 2.22 H new ATOM 0 HB3 LYS A 615 -6.558 -3.152 -2.492 1.00 2.22 H new ATOM 0 HG2 LYS A 615 -7.921 -4.613 -3.922 1.00 54.03 H new ATOM 0 HG3 LYS A 615 -6.482 -5.226 -4.712 1.00 54.03 H new ATOM 0 HD2 LYS A 615 -6.358 -6.825 -3.131 1.00 41.22 H new ATOM 0 HD3 LYS A 615 -5.984 -5.580 -1.956 1.00 41.22 H new ATOM 0 HE2 LYS A 615 -8.108 -5.559 -1.083 1.00 2.13 H new ATOM 0 HE3 LYS A 615 -8.870 -5.848 -2.635 1.00 2.13 H new ATOM 0 HZ1 LYS A 615 -9.132 -7.738 -1.164 1.00 30.33 H new ATOM 0 HZ2 LYS A 615 -8.187 -8.174 -2.506 1.00 30.33 H new ATOM 0 HZ3 LYS A 615 -7.449 -7.894 -1.002 1.00 30.33 H new ATOM 254 N ARG A 616 -5.662 -3.745 -6.523 1.00 50.24 N ATOM 255 CA ARG A 616 -4.847 -4.194 -7.646 1.00 1.42 C ATOM 256 C ARG A 616 -4.256 -3.005 -8.398 1.00 74.22 C ATOM 257 O ARG A 616 -3.106 -3.045 -8.835 1.00 23.20 O ATOM 258 CB ARG A 616 -5.682 -5.051 -8.599 1.00 23.22 C ATOM 259 CG ARG A 616 -5.221 -4.978 -10.046 1.00 10.32 C ATOM 260 CD ARG A 616 -3.794 -5.481 -10.202 1.00 50.31 C ATOM 261 NE ARG A 616 -3.725 -6.682 -11.028 1.00 72.33 N ATOM 262 CZ ARG A 616 -3.756 -6.665 -12.356 1.00 22.24 C ATOM 263 NH1 ARG A 616 -3.854 -5.513 -13.004 1.00 54.21 N ATOM 264 NH2 ARG A 616 -3.688 -7.802 -13.037 1.00 53.41 N ATOM 0 H ARG A 616 -6.601 -4.143 -6.498 1.00 50.24 H new ATOM 0 HA ARG A 616 -4.028 -4.795 -7.251 1.00 1.42 H new ATOM 0 HB2 ARG A 616 -5.646 -6.089 -8.267 1.00 23.22 H new ATOM 0 HB3 ARG A 616 -6.723 -4.734 -8.542 1.00 23.22 H new ATOM 0 HG2 ARG A 616 -5.888 -5.571 -10.672 1.00 10.32 H new ATOM 0 HG3 ARG A 616 -5.286 -3.948 -10.398 1.00 10.32 H new ATOM 0 HD2 ARG A 616 -3.180 -4.698 -10.648 1.00 50.31 H new ATOM 0 HD3 ARG A 616 -3.375 -5.693 -9.218 1.00 50.31 H new ATOM 0 HE ARG A 616 -3.649 -7.585 -10.560 1.00 72.33 H new ATOM 0 HH11 ARG A 616 -3.906 -4.638 -12.483 1.00 54.21 H new ATOM 0 HH12 ARG A 616 -3.878 -5.502 -14.024 1.00 54.21 H new ATOM 0 HH21 ARG A 616 -3.612 -8.690 -12.541 1.00 53.41 H new ATOM 0 HH22 ARG A 616 -3.712 -7.788 -14.057 1.00 53.41 H new ATOM 278 N GLN A 617 -5.052 -1.951 -8.546 1.00 3.21 N ATOM 279 CA GLN A 617 -4.607 -0.751 -9.247 1.00 72.30 C ATOM 280 C GLN A 617 -3.512 -0.037 -8.462 1.00 61.45 C ATOM 281 O GLN A 617 -2.642 0.614 -9.043 1.00 63.04 O ATOM 282 CB GLN A 617 -5.786 0.196 -9.479 1.00 45.00 C ATOM 283 CG GLN A 617 -5.472 1.333 -10.437 1.00 41.44 C ATOM 284 CD GLN A 617 -5.274 0.858 -11.863 1.00 22.13 C ATOM 285 OE1 GLN A 617 -5.933 -0.079 -12.315 1.00 20.14 O ATOM 286 NE2 GLN A 617 -4.361 1.502 -12.580 1.00 63.34 N ATOM 0 H GLN A 617 -6.007 -1.903 -8.191 1.00 3.21 H new ATOM 0 HA GLN A 617 -4.198 -1.054 -10.211 1.00 72.30 H new ATOM 0 HB2 GLN A 617 -6.629 -0.375 -9.869 1.00 45.00 H new ATOM 0 HB3 GLN A 617 -6.100 0.614 -8.522 1.00 45.00 H new ATOM 0 HG2 GLN A 617 -6.284 2.060 -10.410 1.00 41.44 H new ATOM 0 HG3 GLN A 617 -4.572 1.847 -10.101 1.00 41.44 H new ATOM 0 HE21 GLN A 617 -3.838 2.273 -12.165 1.00 63.34 H new ATOM 0 HE22 GLN A 617 -4.183 1.226 -13.546 1.00 63.34 H new ATOM 295 N LEU A 618 -3.559 -0.163 -7.141 1.00 53.41 N ATOM 296 CA LEU A 618 -2.570 0.472 -6.276 1.00 74.42 C ATOM 297 C LEU A 618 -1.178 -0.095 -6.533 1.00 54.35 C ATOM 298 O LEU A 618 -0.221 0.652 -6.735 1.00 72.22 O ATOM 299 CB LEU A 618 -2.950 0.277 -4.807 1.00 62.12 C ATOM 300 CG LEU A 618 -4.333 0.784 -4.397 1.00 63.23 C ATOM 301 CD1 LEU A 618 -4.630 0.417 -2.951 1.00 41.04 C ATOM 302 CD2 LEU A 618 -4.430 2.289 -4.598 1.00 52.11 C ATOM 0 H LEU A 618 -4.271 -0.699 -6.645 1.00 53.41 H new ATOM 0 HA LEU A 618 -2.555 1.538 -6.503 1.00 74.42 H new ATOM 0 HB2 LEU A 618 -2.892 -0.787 -4.576 1.00 62.12 H new ATOM 0 HB3 LEU A 618 -2.204 0.778 -4.190 1.00 62.12 H new ATOM 0 HG LEU A 618 -5.078 0.304 -5.032 1.00 63.23 H new ATOM 0 HD11 LEU A 618 -5.618 0.786 -2.678 1.00 41.04 H new ATOM 0 HD12 LEU A 618 -4.603 -0.667 -2.838 1.00 41.04 H new ATOM 0 HD13 LEU A 618 -3.881 0.868 -2.300 1.00 41.04 H new ATOM 0 HD21 LEU A 618 -5.421 2.633 -4.301 1.00 52.11 H new ATOM 0 HD22 LEU A 618 -3.676 2.787 -3.989 1.00 52.11 H new ATOM 0 HD23 LEU A 618 -4.263 2.527 -5.648 1.00 52.11 H new ATOM 314 N SER A 619 -1.074 -1.420 -6.528 1.00 13.35 N ATOM 315 CA SER A 619 0.202 -2.087 -6.758 1.00 1.10 C ATOM 316 C SER A 619 0.845 -1.596 -8.051 1.00 62.35 C ATOM 317 O SER A 619 2.043 -1.312 -8.094 1.00 52.11 O ATOM 318 CB SER A 619 0.005 -3.603 -6.816 1.00 61.04 C ATOM 319 OG SER A 619 -0.662 -3.985 -8.007 1.00 24.54 O ATOM 0 H SER A 619 -1.858 -2.053 -6.367 1.00 13.35 H new ATOM 0 HA SER A 619 0.866 -1.846 -5.928 1.00 1.10 H new ATOM 0 HB2 SER A 619 0.973 -4.101 -6.762 1.00 61.04 H new ATOM 0 HB3 SER A 619 -0.571 -3.931 -5.951 1.00 61.04 H new ATOM 0 HG SER A 619 -1.516 -3.509 -8.071 1.00 24.54 H new ATOM 325 N LEU A 620 0.042 -1.500 -9.105 1.00 35.34 N ATOM 326 CA LEU A 620 0.531 -1.043 -10.402 1.00 1.14 C ATOM 327 C LEU A 620 0.785 0.460 -10.388 1.00 51.32 C ATOM 328 O LEU A 620 1.911 0.911 -10.602 1.00 15.31 O ATOM 329 CB LEU A 620 -0.475 -1.392 -11.500 1.00 43.01 C ATOM 330 CG LEU A 620 -0.237 -0.737 -12.861 1.00 2.12 C ATOM 331 CD1 LEU A 620 0.071 -1.789 -13.914 1.00 34.31 C ATOM 332 CD2 LEU A 620 -1.445 0.094 -13.271 1.00 21.43 C ATOM 0 H LEU A 620 -0.951 -1.733 -9.087 1.00 35.34 H new ATOM 0 HA LEU A 620 1.474 -1.550 -10.607 1.00 1.14 H new ATOM 0 HB2 LEU A 620 -0.475 -2.474 -11.635 1.00 43.01 H new ATOM 0 HB3 LEU A 620 -1.471 -1.114 -11.154 1.00 43.01 H new ATOM 0 HG LEU A 620 0.624 -0.074 -12.778 1.00 2.12 H new ATOM 0 HD11 LEU A 620 0.237 -1.303 -14.876 1.00 34.31 H new ATOM 0 HD12 LEU A 620 0.966 -2.341 -13.626 1.00 34.31 H new ATOM 0 HD13 LEU A 620 -0.769 -2.478 -13.996 1.00 34.31 H new ATOM 0 HD21 LEU A 620 -1.258 0.553 -14.242 1.00 21.43 H new ATOM 0 HD22 LEU A 620 -2.323 -0.548 -13.336 1.00 21.43 H new ATOM 0 HD23 LEU A 620 -1.619 0.873 -12.529 1.00 21.43 H new ATOM 344 N ASP A 621 -0.266 1.231 -10.135 1.00 74.25 N ATOM 345 CA ASP A 621 -0.157 2.685 -10.090 1.00 71.14 C ATOM 346 C ASP A 621 1.019 3.114 -9.219 1.00 32.22 C ATOM 347 O ASP A 621 1.953 3.761 -9.695 1.00 4.24 O ATOM 348 CB ASP A 621 -1.453 3.300 -9.560 1.00 25.45 C ATOM 349 CG ASP A 621 -1.543 4.787 -9.835 1.00 42.41 C ATOM 350 OD1 ASP A 621 -0.552 5.359 -10.337 1.00 4.23 O ATOM 351 OD2 ASP A 621 -2.603 5.381 -9.548 1.00 74.23 O ATOM 0 H ASP A 621 -1.205 0.873 -9.958 1.00 74.25 H new ATOM 0 HA ASP A 621 0.016 3.043 -11.105 1.00 71.14 H new ATOM 0 HB2 ASP A 621 -2.304 2.797 -10.018 1.00 25.45 H new ATOM 0 HB3 ASP A 621 -1.521 3.127 -8.486 1.00 25.45 H new ATOM 356 N ILE A 622 0.966 2.752 -7.942 1.00 73.22 N ATOM 357 CA ILE A 622 2.025 3.100 -7.004 1.00 65.31 C ATOM 358 C ILE A 622 3.397 2.736 -7.565 1.00 35.41 C ATOM 359 O ILE A 622 4.372 3.457 -7.363 1.00 10.00 O ATOM 360 CB ILE A 622 1.834 2.394 -5.649 1.00 13.42 C ATOM 361 CG1 ILE A 622 0.526 2.845 -4.996 1.00 55.32 C ATOM 362 CG2 ILE A 622 3.014 2.677 -4.732 1.00 70.22 C ATOM 363 CD1 ILE A 622 0.165 2.055 -3.758 1.00 33.24 C ATOM 0 H ILE A 622 0.200 2.217 -7.533 1.00 73.22 H new ATOM 0 HA ILE A 622 1.970 4.178 -6.853 1.00 65.31 H new ATOM 0 HB ILE A 622 1.783 1.319 -5.820 1.00 13.42 H new ATOM 0 HG12 ILE A 622 0.605 3.900 -4.734 1.00 55.32 H new ATOM 0 HG13 ILE A 622 -0.282 2.757 -5.722 1.00 55.32 H new ATOM 0 HG21 ILE A 622 2.863 2.171 -3.778 1.00 70.22 H new ATOM 0 HG22 ILE A 622 3.931 2.312 -5.196 1.00 70.22 H new ATOM 0 HG23 ILE A 622 3.095 3.751 -4.564 1.00 70.22 H new ATOM 0 HD11 ILE A 622 -0.773 2.429 -3.348 1.00 33.24 H new ATOM 0 HD12 ILE A 622 0.053 1.002 -4.018 1.00 33.24 H new ATOM 0 HD13 ILE A 622 0.954 2.163 -3.014 1.00 33.24 H new ATOM 375 N ASN A 623 3.461 1.611 -8.271 1.00 5.54 N ATOM 376 CA ASN A 623 4.713 1.151 -8.862 1.00 34.44 C ATOM 377 C ASN A 623 5.156 2.080 -9.987 1.00 22.13 C ATOM 378 O ASN A 623 6.350 2.309 -10.184 1.00 62.34 O ATOM 379 CB ASN A 623 4.555 -0.275 -9.394 1.00 53.25 C ATOM 380 CG ASN A 623 5.843 -0.819 -9.980 1.00 11.31 C ATOM 381 OD1 ASN A 623 6.004 -0.887 -11.198 1.00 71.35 O ATOM 382 ND2 ASN A 623 6.769 -1.210 -9.112 1.00 32.03 N ATOM 0 H ASN A 623 2.662 1.002 -8.447 1.00 5.54 H new ATOM 0 HA ASN A 623 5.478 1.159 -8.086 1.00 34.44 H new ATOM 0 HB2 ASN A 623 4.223 -0.927 -8.586 1.00 53.25 H new ATOM 0 HB3 ASN A 623 3.777 -0.291 -10.157 1.00 53.25 H new ATOM 0 HD21 ASN A 623 7.656 -1.585 -9.447 1.00 32.03 H new ATOM 0 HD22 ASN A 623 6.593 -1.136 -8.110 1.00 32.03 H new ATOM 389 N LYS A 624 4.188 2.614 -10.723 1.00 73.22 N ATOM 390 CA LYS A 624 4.477 3.520 -11.828 1.00 51.13 C ATOM 391 C LYS A 624 5.016 4.851 -11.313 1.00 62.13 C ATOM 392 O LYS A 624 5.794 5.522 -11.993 1.00 23.53 O ATOM 393 CB LYS A 624 3.216 3.758 -12.662 1.00 43.35 C ATOM 394 CG LYS A 624 3.449 4.636 -13.880 1.00 60.24 C ATOM 395 CD LYS A 624 2.138 5.096 -14.494 1.00 41.34 C ATOM 396 CE LYS A 624 2.352 6.246 -15.467 1.00 2.24 C ATOM 397 NZ LYS A 624 1.502 6.112 -16.682 1.00 32.23 N ATOM 0 H LYS A 624 3.195 2.435 -10.574 1.00 73.22 H new ATOM 0 HA LYS A 624 5.239 3.057 -12.455 1.00 51.13 H new ATOM 0 HB2 LYS A 624 2.819 2.797 -12.988 1.00 43.35 H new ATOM 0 HB3 LYS A 624 2.456 4.219 -12.032 1.00 43.35 H new ATOM 0 HG2 LYS A 624 4.043 5.504 -13.595 1.00 60.24 H new ATOM 0 HG3 LYS A 624 4.026 4.084 -14.622 1.00 60.24 H new ATOM 0 HD2 LYS A 624 1.665 4.262 -15.013 1.00 41.34 H new ATOM 0 HD3 LYS A 624 1.455 5.408 -13.704 1.00 41.34 H new ATOM 0 HE2 LYS A 624 2.127 7.189 -14.969 1.00 2.24 H new ATOM 0 HE3 LYS A 624 3.401 6.283 -15.760 1.00 2.24 H new ATOM 0 HZ1 LYS A 624 1.678 6.915 -17.319 1.00 32.23 H new ATOM 0 HZ2 LYS A 624 1.734 5.224 -17.172 1.00 32.23 H new ATOM 0 HZ3 LYS A 624 0.500 6.103 -16.405 1.00 32.23 H new ATOM 411 N LEU A 625 4.600 5.227 -10.109 1.00 20.33 N ATOM 412 CA LEU A 625 5.043 6.478 -9.502 1.00 3.01 C ATOM 413 C LEU A 625 6.479 6.360 -9.000 1.00 2.21 C ATOM 414 O LEU A 625 7.003 5.265 -8.794 1.00 12.40 O ATOM 415 CB LEU A 625 4.117 6.863 -8.347 1.00 54.44 C ATOM 416 CG LEU A 625 2.848 7.626 -8.731 1.00 10.50 C ATOM 417 CD1 LEU A 625 3.200 8.968 -9.354 1.00 10.45 C ATOM 418 CD2 LEU A 625 1.997 6.800 -9.685 1.00 43.23 C ATOM 0 H LEU A 625 3.957 4.684 -9.533 1.00 20.33 H new ATOM 0 HA LEU A 625 5.006 7.257 -10.264 1.00 3.01 H new ATOM 0 HB2 LEU A 625 3.825 5.953 -7.822 1.00 54.44 H new ATOM 0 HB3 LEU A 625 4.683 7.471 -7.641 1.00 54.44 H new ATOM 0 HG LEU A 625 2.269 7.809 -7.826 1.00 10.50 H new ATOM 0 HD11 LEU A 625 2.285 9.497 -9.621 1.00 10.45 H new ATOM 0 HD12 LEU A 625 3.768 9.563 -8.639 1.00 10.45 H new ATOM 0 HD13 LEU A 625 3.800 8.807 -10.250 1.00 10.45 H new ATOM 0 HD21 LEU A 625 1.098 7.358 -9.947 1.00 43.23 H new ATOM 0 HD22 LEU A 625 2.568 6.585 -10.589 1.00 43.23 H new ATOM 0 HD23 LEU A 625 1.715 5.864 -9.203 1.00 43.23 H new ATOM 430 N PRO A 626 7.131 7.514 -8.797 1.00 53.51 N ATOM 431 CA PRO A 626 8.514 7.568 -8.313 1.00 55.34 C ATOM 432 C PRO A 626 8.636 7.129 -6.858 1.00 65.52 C ATOM 433 O PRO A 626 7.644 7.059 -6.136 1.00 23.43 O ATOM 434 CB PRO A 626 8.883 9.047 -8.458 1.00 52.04 C ATOM 435 CG PRO A 626 7.583 9.771 -8.392 1.00 71.04 C ATOM 436 CD PRO A 626 6.567 8.857 -9.022 1.00 65.21 C ATOM 0 HA PRO A 626 9.167 6.895 -8.869 1.00 55.34 H new ATOM 0 HB2 PRO A 626 9.555 9.367 -7.662 1.00 52.04 H new ATOM 0 HB3 PRO A 626 9.394 9.237 -9.402 1.00 52.04 H new ATOM 0 HG2 PRO A 626 7.316 10.000 -7.360 1.00 71.04 H new ATOM 0 HG3 PRO A 626 7.638 10.720 -8.925 1.00 71.04 H new ATOM 0 HD2 PRO A 626 5.587 8.964 -8.557 1.00 65.21 H new ATOM 0 HD3 PRO A 626 6.441 9.067 -10.084 1.00 65.21 H new ATOM 444 N GLY A 627 9.863 6.835 -6.436 1.00 20.11 N ATOM 445 CA GLY A 627 10.093 6.406 -5.069 1.00 34.54 C ATOM 446 C GLY A 627 9.475 7.347 -4.053 1.00 53.44 C ATOM 447 O GLY A 627 8.889 6.907 -3.065 1.00 42.00 O ATOM 0 H GLY A 627 10.700 6.886 -7.016 1.00 20.11 H new ATOM 0 HA2 GLY A 627 9.681 5.406 -4.931 1.00 34.54 H new ATOM 0 HA3 GLY A 627 11.166 6.336 -4.889 1.00 34.54 H new ATOM 451 N GLU A 628 9.607 8.648 -4.298 1.00 64.01 N ATOM 452 CA GLU A 628 9.060 9.654 -3.395 1.00 74.35 C ATOM 453 C GLU A 628 7.599 9.355 -3.071 1.00 1.52 C ATOM 454 O GLU A 628 7.151 9.544 -1.940 1.00 21.42 O ATOM 455 CB GLU A 628 9.182 11.048 -4.016 1.00 32.31 C ATOM 456 CG GLU A 628 8.442 12.125 -3.240 1.00 11.20 C ATOM 457 CD GLU A 628 8.671 13.513 -3.807 1.00 31.32 C ATOM 458 OE1 GLU A 628 8.426 13.708 -5.016 1.00 0.13 O ATOM 459 OE2 GLU A 628 9.096 14.403 -3.042 1.00 11.04 O ATOM 0 H GLU A 628 10.087 9.029 -5.113 1.00 64.01 H new ATOM 0 HA GLU A 628 9.633 9.626 -2.468 1.00 74.35 H new ATOM 0 HB2 GLU A 628 10.236 11.317 -4.080 1.00 32.31 H new ATOM 0 HB3 GLU A 628 8.798 11.018 -5.036 1.00 32.31 H new ATOM 0 HG2 GLU A 628 7.375 11.905 -3.248 1.00 11.20 H new ATOM 0 HG3 GLU A 628 8.764 12.104 -2.199 1.00 11.20 H new ATOM 466 N LYS A 629 6.860 8.889 -4.072 1.00 61.33 N ATOM 467 CA LYS A 629 5.449 8.564 -3.895 1.00 62.24 C ATOM 468 C LYS A 629 5.283 7.313 -3.038 1.00 64.12 C ATOM 469 O LYS A 629 4.518 7.306 -2.073 1.00 53.21 O ATOM 470 CB LYS A 629 4.779 8.355 -5.255 1.00 52.50 C ATOM 471 CG LYS A 629 3.740 9.412 -5.589 1.00 12.12 C ATOM 472 CD LYS A 629 2.328 8.895 -5.367 1.00 5.13 C ATOM 473 CE LYS A 629 1.806 9.274 -3.990 1.00 23.13 C ATOM 474 NZ LYS A 629 1.627 8.081 -3.117 1.00 31.14 N ATOM 0 H LYS A 629 7.215 8.728 -5.015 1.00 61.33 H new ATOM 0 HA LYS A 629 4.970 9.400 -3.385 1.00 62.24 H new ATOM 0 HB2 LYS A 629 5.544 8.351 -6.031 1.00 52.50 H new ATOM 0 HB3 LYS A 629 4.305 7.374 -5.270 1.00 52.50 H new ATOM 0 HG2 LYS A 629 3.906 10.295 -4.972 1.00 12.12 H new ATOM 0 HG3 LYS A 629 3.856 9.722 -6.627 1.00 12.12 H new ATOM 0 HD2 LYS A 629 1.666 9.301 -6.132 1.00 5.13 H new ATOM 0 HD3 LYS A 629 2.315 7.811 -5.476 1.00 5.13 H new ATOM 0 HE2 LYS A 629 2.500 9.969 -3.517 1.00 23.13 H new ATOM 0 HE3 LYS A 629 0.854 9.795 -4.093 1.00 23.13 H new ATOM 0 HZ1 LYS A 629 1.773 8.353 -2.124 1.00 31.14 H new ATOM 0 HZ2 LYS A 629 0.665 7.705 -3.236 1.00 31.14 H new ATOM 0 HZ3 LYS A 629 2.319 7.351 -3.381 1.00 31.14 H new ATOM 488 N LEU A 630 6.005 6.256 -3.394 1.00 71.15 N ATOM 489 CA LEU A 630 5.939 4.999 -2.657 1.00 11.44 C ATOM 490 C LEU A 630 6.317 5.207 -1.194 1.00 31.24 C ATOM 491 O LEU A 630 5.635 4.723 -0.291 1.00 53.14 O ATOM 492 CB LEU A 630 6.866 3.962 -3.293 1.00 72.34 C ATOM 493 CG LEU A 630 6.549 2.499 -2.982 1.00 11.22 C ATOM 494 CD1 LEU A 630 6.163 1.755 -4.250 1.00 73.24 C ATOM 495 CD2 LEU A 630 7.737 1.828 -2.309 1.00 74.30 C ATOM 0 H LEU A 630 6.643 6.245 -4.189 1.00 71.15 H new ATOM 0 HA LEU A 630 4.913 4.634 -2.700 1.00 11.44 H new ATOM 0 HB2 LEU A 630 6.841 4.096 -4.374 1.00 72.34 H new ATOM 0 HB3 LEU A 630 7.886 4.169 -2.969 1.00 72.34 H new ATOM 0 HG LEU A 630 5.703 2.469 -2.296 1.00 11.22 H new ATOM 0 HD11 LEU A 630 5.941 0.715 -4.009 1.00 73.24 H new ATOM 0 HD12 LEU A 630 5.282 2.221 -4.691 1.00 73.24 H new ATOM 0 HD13 LEU A 630 6.989 1.794 -4.960 1.00 73.24 H new ATOM 0 HD21 LEU A 630 7.494 0.787 -2.095 1.00 74.30 H new ATOM 0 HD22 LEU A 630 8.602 1.870 -2.971 1.00 74.30 H new ATOM 0 HD23 LEU A 630 7.968 2.346 -1.378 1.00 74.30 H new ATOM 507 N GLY A 631 7.408 5.931 -0.967 1.00 44.22 N ATOM 508 CA GLY A 631 7.858 6.192 0.389 1.00 71.14 C ATOM 509 C GLY A 631 6.745 6.709 1.278 1.00 55.20 C ATOM 510 O GLY A 631 6.622 6.298 2.432 1.00 11.52 O ATOM 0 H GLY A 631 7.989 6.342 -1.698 1.00 44.22 H new ATOM 0 HA2 GLY A 631 8.265 5.276 0.817 1.00 71.14 H new ATOM 0 HA3 GLY A 631 8.669 6.920 0.366 1.00 71.14 H new ATOM 514 N ARG A 632 5.933 7.615 0.742 1.00 22.21 N ATOM 515 CA ARG A 632 4.827 8.191 1.496 1.00 32.05 C ATOM 516 C ARG A 632 3.740 7.151 1.749 1.00 61.11 C ATOM 517 O ARG A 632 3.094 7.153 2.797 1.00 23.12 O ATOM 518 CB ARG A 632 4.238 9.388 0.746 1.00 61.34 C ATOM 519 CG ARG A 632 4.897 10.711 1.097 1.00 64.33 C ATOM 520 CD ARG A 632 4.739 11.727 -0.024 1.00 1.04 C ATOM 521 NE ARG A 632 4.136 12.971 0.446 1.00 54.15 N ATOM 522 CZ ARG A 632 3.696 13.927 -0.366 1.00 25.35 C ATOM 523 NH1 ARG A 632 3.792 13.781 -1.680 1.00 13.14 N ATOM 524 NH2 ARG A 632 3.159 15.031 0.139 1.00 61.43 N ATOM 0 H ARG A 632 6.021 7.966 -0.212 1.00 22.21 H new ATOM 0 HA ARG A 632 5.214 8.528 2.458 1.00 32.05 H new ATOM 0 HB2 ARG A 632 4.334 9.217 -0.326 1.00 61.34 H new ATOM 0 HB3 ARG A 632 3.172 9.454 0.964 1.00 61.34 H new ATOM 0 HG2 ARG A 632 4.457 11.106 2.012 1.00 64.33 H new ATOM 0 HG3 ARG A 632 5.956 10.549 1.296 1.00 64.33 H new ATOM 0 HD2 ARG A 632 5.715 11.940 -0.461 1.00 1.04 H new ATOM 0 HD3 ARG A 632 4.122 11.301 -0.815 1.00 1.04 H new ATOM 0 HE ARG A 632 4.048 13.114 1.452 1.00 54.15 H new ATOM 0 HH11 ARG A 632 4.204 12.934 -2.070 1.00 13.14 H new ATOM 0 HH12 ARG A 632 3.454 14.516 -2.301 1.00 13.14 H new ATOM 0 HH21 ARG A 632 3.084 15.145 1.150 1.00 61.43 H new ATOM 0 HH22 ARG A 632 2.821 15.765 -0.484 1.00 61.43 H new ATOM 538 N VAL A 633 3.542 6.262 0.780 1.00 64.24 N ATOM 539 CA VAL A 633 2.534 5.215 0.897 1.00 63.22 C ATOM 540 C VAL A 633 2.879 4.244 2.020 1.00 71.11 C ATOM 541 O VAL A 633 2.100 4.058 2.956 1.00 62.24 O ATOM 542 CB VAL A 633 2.385 4.429 -0.419 1.00 42.11 C ATOM 543 CG1 VAL A 633 1.342 3.332 -0.271 1.00 42.03 C ATOM 544 CG2 VAL A 633 2.027 5.367 -1.562 1.00 14.34 C ATOM 0 H VAL A 633 4.067 6.246 -0.095 1.00 64.24 H new ATOM 0 HA VAL A 633 1.589 5.709 1.125 1.00 63.22 H new ATOM 0 HB VAL A 633 3.341 3.959 -0.651 1.00 42.11 H new ATOM 0 HG11 VAL A 633 1.251 2.788 -1.211 1.00 42.03 H new ATOM 0 HG12 VAL A 633 1.646 2.645 0.518 1.00 42.03 H new ATOM 0 HG13 VAL A 633 0.380 3.776 -0.014 1.00 42.03 H new ATOM 0 HG21 VAL A 633 1.926 4.795 -2.484 1.00 14.34 H new ATOM 0 HG22 VAL A 633 1.085 5.868 -1.340 1.00 14.34 H new ATOM 0 HG23 VAL A 633 2.814 6.112 -1.682 1.00 14.34 H new ATOM 554 N VAL A 634 4.052 3.625 1.921 1.00 13.25 N ATOM 555 CA VAL A 634 4.501 2.673 2.930 1.00 53.40 C ATOM 556 C VAL A 634 4.375 3.258 4.333 1.00 51.12 C ATOM 557 O VAL A 634 4.164 2.531 5.304 1.00 74.31 O ATOM 558 CB VAL A 634 5.962 2.251 2.691 1.00 24.33 C ATOM 559 CG1 VAL A 634 6.851 3.474 2.521 1.00 31.13 C ATOM 560 CG2 VAL A 634 6.458 1.377 3.834 1.00 50.23 C ATOM 0 H VAL A 634 4.708 3.766 1.153 1.00 13.25 H new ATOM 0 HA VAL A 634 3.859 1.796 2.847 1.00 53.40 H new ATOM 0 HB VAL A 634 6.007 1.668 1.771 1.00 24.33 H new ATOM 0 HG11 VAL A 634 7.880 3.155 2.353 1.00 31.13 H new ATOM 0 HG12 VAL A 634 6.508 4.057 1.667 1.00 31.13 H new ATOM 0 HG13 VAL A 634 6.803 4.087 3.421 1.00 31.13 H new ATOM 0 HG21 VAL A 634 7.492 1.088 3.649 1.00 50.23 H new ATOM 0 HG22 VAL A 634 6.399 1.933 4.769 1.00 50.23 H new ATOM 0 HG23 VAL A 634 5.838 0.483 3.904 1.00 50.23 H new ATOM 570 N HIS A 635 4.505 4.577 4.432 1.00 71.11 N ATOM 571 CA HIS A 635 4.405 5.261 5.716 1.00 35.32 C ATOM 572 C HIS A 635 2.988 5.162 6.275 1.00 24.33 C ATOM 573 O HIS A 635 2.797 4.997 7.480 1.00 35.35 O ATOM 574 CB HIS A 635 4.806 6.729 5.570 1.00 24.42 C ATOM 575 CG HIS A 635 5.437 7.303 6.801 1.00 52.31 C ATOM 576 ND1 HIS A 635 6.790 7.542 6.913 1.00 54.41 N ATOM 577 CD2 HIS A 635 4.890 7.688 7.979 1.00 72.43 C ATOM 578 CE1 HIS A 635 7.049 8.047 8.106 1.00 51.55 C ATOM 579 NE2 HIS A 635 5.912 8.147 8.771 1.00 23.54 N ATOM 0 H HIS A 635 4.680 5.193 3.638 1.00 71.11 H new ATOM 0 HA HIS A 635 5.087 4.774 6.413 1.00 35.32 H new ATOM 0 HB2 HIS A 635 5.501 6.826 4.736 1.00 24.42 H new ATOM 0 HB3 HIS A 635 3.922 7.315 5.318 1.00 24.42 H new ATOM 0 HD2 HIS A 635 3.844 7.642 8.245 1.00 72.43 H new ATOM 0 HE1 HIS A 635 8.024 8.330 8.475 1.00 51.55 H new ATOM 0 HE2 HIS A 635 5.810 8.507 9.720 1.00 23.54 H new ATOM 587 N ILE A 636 2.001 5.265 5.392 1.00 33.15 N ATOM 588 CA ILE A 636 0.603 5.187 5.797 1.00 31.24 C ATOM 589 C ILE A 636 0.255 3.792 6.307 1.00 53.22 C ATOM 590 O ILE A 636 -0.209 3.631 7.436 1.00 40.11 O ATOM 591 CB ILE A 636 -0.341 5.547 4.635 1.00 13.23 C ATOM 592 CG1 ILE A 636 0.224 6.723 3.837 1.00 72.03 C ATOM 593 CG2 ILE A 636 -1.730 5.876 5.164 1.00 63.31 C ATOM 594 CD1 ILE A 636 -0.788 7.368 2.914 1.00 63.31 C ATOM 0 H ILE A 636 2.143 5.403 4.391 1.00 33.15 H new ATOM 0 HA ILE A 636 0.467 5.910 6.602 1.00 31.24 H new ATOM 0 HB ILE A 636 -0.421 4.687 3.970 1.00 13.23 H new ATOM 0 HG12 ILE A 636 0.602 7.474 4.530 1.00 72.03 H new ATOM 0 HG13 ILE A 636 1.073 6.377 3.247 1.00 72.03 H new ATOM 0 HG21 ILE A 636 -2.386 6.129 4.331 1.00 63.31 H new ATOM 0 HG22 ILE A 636 -2.132 5.012 5.693 1.00 63.31 H new ATOM 0 HG23 ILE A 636 -1.668 6.723 5.847 1.00 63.31 H new ATOM 0 HD11 ILE A 636 -0.319 8.194 2.380 1.00 63.31 H new ATOM 0 HD12 ILE A 636 -1.148 6.630 2.197 1.00 63.31 H new ATOM 0 HD13 ILE A 636 -1.627 7.744 3.500 1.00 63.31 H new ATOM 606 N ILE A 637 0.484 2.788 5.468 1.00 64.32 N ATOM 607 CA ILE A 637 0.198 1.406 5.835 1.00 52.32 C ATOM 608 C ILE A 637 0.812 1.058 7.186 1.00 53.02 C ATOM 609 O ILE A 637 0.109 0.658 8.113 1.00 32.11 O ATOM 610 CB ILE A 637 0.725 0.422 4.774 1.00 41.23 C ATOM 611 CG1 ILE A 637 -0.052 0.582 3.466 1.00 40.02 C ATOM 612 CG2 ILE A 637 0.626 -1.008 5.283 1.00 30.23 C ATOM 613 CD1 ILE A 637 0.574 1.573 2.509 1.00 53.23 C ATOM 0 H ILE A 637 0.867 2.905 4.530 1.00 64.32 H new ATOM 0 HA ILE A 637 -0.886 1.313 5.898 1.00 52.32 H new ATOM 0 HB ILE A 637 1.774 0.647 4.581 1.00 41.23 H new ATOM 0 HG12 ILE A 637 -0.125 -0.388 2.975 1.00 40.02 H new ATOM 0 HG13 ILE A 637 -1.069 0.902 3.694 1.00 40.02 H new ATOM 0 HG21 ILE A 637 1.002 -1.692 4.522 1.00 30.23 H new ATOM 0 HG22 ILE A 637 1.220 -1.113 6.191 1.00 30.23 H new ATOM 0 HG23 ILE A 637 -0.415 -1.245 5.501 1.00 30.23 H new ATOM 0 HD11 ILE A 637 -0.030 1.636 1.604 1.00 53.23 H new ATOM 0 HD12 ILE A 637 0.622 2.554 2.981 1.00 53.23 H new ATOM 0 HD13 ILE A 637 1.581 1.244 2.252 1.00 53.23 H new ATOM 625 N GLN A 638 2.127 1.215 7.290 1.00 64.42 N ATOM 626 CA GLN A 638 2.837 0.917 8.530 1.00 74.03 C ATOM 627 C GLN A 638 2.280 1.743 9.685 1.00 24.41 C ATOM 628 O GLN A 638 2.464 1.396 10.852 1.00 34.32 O ATOM 629 CB GLN A 638 4.332 1.190 8.364 1.00 3.14 C ATOM 630 CG GLN A 638 4.677 2.670 8.302 1.00 31.21 C ATOM 631 CD GLN A 638 6.155 2.915 8.067 1.00 30.11 C ATOM 632 OE1 GLN A 638 6.848 3.467 8.923 1.00 73.00 O ATOM 633 NE2 GLN A 638 6.646 2.505 6.903 1.00 50.41 N ATOM 0 H GLN A 638 2.723 1.547 6.532 1.00 64.42 H new ATOM 0 HA GLN A 638 2.693 -0.139 8.759 1.00 74.03 H new ATOM 0 HB2 GLN A 638 4.871 0.734 9.195 1.00 3.14 H new ATOM 0 HB3 GLN A 638 4.682 0.705 7.453 1.00 3.14 H new ATOM 0 HG2 GLN A 638 4.103 3.140 7.503 1.00 31.21 H new ATOM 0 HG3 GLN A 638 4.377 3.149 9.234 1.00 31.21 H new ATOM 0 HE21 GLN A 638 6.035 2.052 6.223 1.00 50.41 H new ATOM 0 HE22 GLN A 638 7.634 2.643 6.689 1.00 50.41 H new ATOM 642 N SER A 639 1.602 2.836 9.353 1.00 74.20 N ATOM 643 CA SER A 639 1.023 3.713 10.364 1.00 74.22 C ATOM 644 C SER A 639 -0.360 3.224 10.780 1.00 75.43 C ATOM 645 O SER A 639 -0.776 3.404 11.925 1.00 73.23 O ATOM 646 CB SER A 639 0.933 5.145 9.834 1.00 14.25 C ATOM 647 OG SER A 639 -0.235 5.791 10.311 1.00 55.51 O ATOM 0 H SER A 639 1.440 3.136 8.392 1.00 74.20 H new ATOM 0 HA SER A 639 1.672 3.697 11.239 1.00 74.22 H new ATOM 0 HB2 SER A 639 1.815 5.707 10.142 1.00 14.25 H new ATOM 0 HB3 SER A 639 0.927 5.133 8.744 1.00 14.25 H new ATOM 0 HG SER A 639 -0.270 6.705 9.960 1.00 55.51 H new ATOM 653 N ARG A 640 -1.069 2.604 9.841 1.00 13.04 N ATOM 654 CA ARG A 640 -2.407 2.089 10.108 1.00 12.32 C ATOM 655 C ARG A 640 -2.405 0.564 10.143 1.00 34.12 C ATOM 656 O ARG A 640 -3.458 -0.069 10.052 1.00 2.31 O ATOM 657 CB ARG A 640 -3.389 2.586 9.046 1.00 62.43 C ATOM 658 CG ARG A 640 -4.707 3.082 9.618 1.00 33.31 C ATOM 659 CD ARG A 640 -4.500 4.273 10.541 1.00 70.50 C ATOM 660 NE ARG A 640 -4.891 3.973 11.917 1.00 43.23 N ATOM 661 CZ ARG A 640 -4.637 4.777 12.943 1.00 22.33 C ATOM 662 NH1 ARG A 640 -3.996 5.922 12.752 1.00 74.45 N ATOM 663 NH2 ARG A 640 -5.023 4.436 14.166 1.00 73.31 N ATOM 0 H ARG A 640 -0.739 2.446 8.889 1.00 13.04 H new ATOM 0 HA ARG A 640 -2.723 2.456 11.084 1.00 12.32 H new ATOM 0 HB2 ARG A 640 -2.922 3.392 8.481 1.00 62.43 H new ATOM 0 HB3 ARG A 640 -3.589 1.778 8.342 1.00 62.43 H new ATOM 0 HG2 ARG A 640 -5.376 3.363 8.804 1.00 33.31 H new ATOM 0 HG3 ARG A 640 -5.194 2.275 10.166 1.00 33.31 H new ATOM 0 HD2 ARG A 640 -3.452 4.571 10.519 1.00 70.50 H new ATOM 0 HD3 ARG A 640 -5.080 5.120 10.176 1.00 70.50 H new ATOM 0 HE ARG A 640 -5.385 3.100 12.099 1.00 43.23 H new ATOM 0 HH11 ARG A 640 -3.696 6.188 11.814 1.00 74.45 H new ATOM 0 HH12 ARG A 640 -3.803 6.537 13.543 1.00 74.45 H new ATOM 0 HH21 ARG A 640 -5.515 3.556 14.319 1.00 73.31 H new ATOM 0 HH22 ARG A 640 -4.827 5.054 14.953 1.00 73.31 H new ATOM 677 N GLU A 641 -1.218 -0.019 10.274 1.00 41.44 N ATOM 678 CA GLU A 641 -1.082 -1.470 10.319 1.00 64.10 C ATOM 679 C GLU A 641 -0.646 -1.933 11.706 1.00 35.13 C ATOM 680 O GLU A 641 0.517 -1.816 12.091 1.00 32.34 O ATOM 681 CB GLU A 641 -0.070 -1.941 9.272 1.00 71.33 C ATOM 682 CG GLU A 641 0.250 -3.424 9.360 1.00 74.22 C ATOM 683 CD GLU A 641 0.222 -4.108 8.006 1.00 32.44 C ATOM 684 OE1 GLU A 641 0.616 -3.468 7.010 1.00 54.25 O ATOM 685 OE2 GLU A 641 -0.193 -5.285 7.945 1.00 15.25 O ATOM 0 H GLU A 641 -0.338 0.490 10.351 1.00 41.44 H new ATOM 0 HA GLU A 641 -2.055 -1.908 10.098 1.00 64.10 H new ATOM 0 HB2 GLU A 641 -0.459 -1.720 8.278 1.00 71.33 H new ATOM 0 HB3 GLU A 641 0.852 -1.371 9.388 1.00 71.33 H new ATOM 0 HG2 GLU A 641 1.235 -3.553 9.808 1.00 74.22 H new ATOM 0 HG3 GLU A 641 -0.468 -3.908 10.022 1.00 74.22 H new ATOM 692 N PRO A 642 -1.604 -2.471 12.477 1.00 61.42 N ATOM 693 CA PRO A 642 -1.345 -2.963 13.833 1.00 72.12 C ATOM 694 C PRO A 642 -0.492 -4.227 13.838 1.00 31.24 C ATOM 695 O PRO A 642 0.230 -4.496 14.799 1.00 22.51 O ATOM 696 CB PRO A 642 -2.744 -3.260 14.376 1.00 15.11 C ATOM 697 CG PRO A 642 -3.573 -3.522 13.166 1.00 4.22 C ATOM 698 CD PRO A 642 -3.012 -2.643 12.083 1.00 50.43 C ATOM 0 HA PRO A 642 -0.786 -2.241 14.429 1.00 72.12 H new ATOM 0 HB2 PRO A 642 -2.735 -4.122 15.044 1.00 15.11 H new ATOM 0 HB3 PRO A 642 -3.134 -2.418 14.948 1.00 15.11 H new ATOM 0 HG2 PRO A 642 -3.525 -4.573 12.880 1.00 4.22 H new ATOM 0 HG3 PRO A 642 -4.621 -3.290 13.353 1.00 4.22 H new ATOM 0 HD2 PRO A 642 -3.100 -3.109 11.102 1.00 50.43 H new ATOM 0 HD3 PRO A 642 -3.534 -1.688 12.030 1.00 50.43 H new ATOM 706 N SER A 643 -0.581 -5.000 12.761 1.00 4.43 N ATOM 707 CA SER A 643 0.181 -6.238 12.643 1.00 44.30 C ATOM 708 C SER A 643 1.667 -5.946 12.460 1.00 72.52 C ATOM 709 O SER A 643 2.521 -6.758 12.821 1.00 50.25 O ATOM 710 CB SER A 643 -0.336 -7.070 11.468 1.00 20.11 C ATOM 711 OG SER A 643 -1.191 -8.109 11.916 1.00 43.21 O ATOM 0 H SER A 643 -1.173 -4.791 11.957 1.00 4.43 H new ATOM 0 HA SER A 643 0.051 -6.805 13.565 1.00 44.30 H new ATOM 0 HB2 SER A 643 -0.874 -6.427 10.772 1.00 20.11 H new ATOM 0 HB3 SER A 643 0.506 -7.497 10.922 1.00 20.11 H new ATOM 0 HG SER A 643 -1.510 -8.625 11.146 1.00 43.21 H new ATOM 717 N LEU A 644 1.970 -4.782 11.895 1.00 75.24 N ATOM 718 CA LEU A 644 3.352 -4.381 11.662 1.00 25.41 C ATOM 719 C LEU A 644 4.197 -4.587 12.915 1.00 2.55 C ATOM 720 O LEU A 644 4.106 -3.815 13.871 1.00 23.53 O ATOM 721 CB LEU A 644 3.413 -2.916 11.226 1.00 21.41 C ATOM 722 CG LEU A 644 4.226 -2.626 9.963 1.00 15.43 C ATOM 723 CD1 LEU A 644 5.683 -3.008 10.165 1.00 63.41 C ATOM 724 CD2 LEU A 644 3.639 -3.366 8.769 1.00 14.51 C ATOM 0 H LEU A 644 1.276 -4.099 11.590 1.00 75.24 H new ATOM 0 HA LEU A 644 3.757 -5.007 10.866 1.00 25.41 H new ATOM 0 HB2 LEU A 644 2.394 -2.562 11.068 1.00 21.41 H new ATOM 0 HB3 LEU A 644 3.830 -2.331 12.045 1.00 21.41 H new ATOM 0 HG LEU A 644 4.178 -1.556 9.762 1.00 15.43 H new ATOM 0 HD11 LEU A 644 6.245 -2.794 9.256 1.00 63.41 H new ATOM 0 HD12 LEU A 644 6.099 -2.432 10.992 1.00 63.41 H new ATOM 0 HD13 LEU A 644 5.752 -4.072 10.392 1.00 63.41 H new ATOM 0 HD21 LEU A 644 4.230 -3.148 7.879 1.00 14.51 H new ATOM 0 HD22 LEU A 644 3.656 -4.439 8.962 1.00 14.51 H new ATOM 0 HD23 LEU A 644 2.611 -3.042 8.610 1.00 14.51 H new ATOM 736 N LYS A 645 5.021 -5.629 12.905 1.00 53.42 N ATOM 737 CA LYS A 645 5.886 -5.933 14.039 1.00 71.43 C ATOM 738 C LYS A 645 7.298 -6.269 13.571 1.00 5.42 C ATOM 739 O LYS A 645 7.976 -7.107 14.163 1.00 32.23 O ATOM 740 CB LYS A 645 5.312 -7.103 14.843 1.00 65.00 C ATOM 741 CG LYS A 645 5.420 -6.917 16.346 1.00 24.33 C ATOM 742 CD LYS A 645 5.929 -8.176 17.029 1.00 23.31 C ATOM 743 CE LYS A 645 6.682 -7.851 18.310 1.00 55.22 C ATOM 744 NZ LYS A 645 7.670 -8.910 18.656 1.00 12.23 N ATOM 0 H LYS A 645 5.108 -6.278 12.123 1.00 53.42 H new ATOM 0 HA LYS A 645 5.934 -5.050 14.676 1.00 71.43 H new ATOM 0 HB2 LYS A 645 4.264 -7.237 14.576 1.00 65.00 H new ATOM 0 HB3 LYS A 645 5.833 -8.018 14.560 1.00 65.00 H new ATOM 0 HG2 LYS A 645 6.092 -6.087 16.563 1.00 24.33 H new ATOM 0 HG3 LYS A 645 4.444 -6.651 16.752 1.00 24.33 H new ATOM 0 HD2 LYS A 645 5.089 -8.833 17.256 1.00 23.31 H new ATOM 0 HD3 LYS A 645 6.584 -8.720 16.349 1.00 23.31 H new ATOM 0 HE2 LYS A 645 7.197 -6.897 18.197 1.00 55.22 H new ATOM 0 HE3 LYS A 645 5.972 -7.735 19.129 1.00 55.22 H new ATOM 0 HZ1 LYS A 645 8.162 -8.652 19.535 1.00 12.23 H new ATOM 0 HZ2 LYS A 645 7.176 -9.815 18.789 1.00 12.23 H new ATOM 0 HZ3 LYS A 645 8.363 -9.004 17.886 1.00 12.23 H new ATOM 758 N ASN A 646 7.737 -5.607 12.505 1.00 33.11 N ATOM 759 CA ASN A 646 9.070 -5.835 11.958 1.00 13.25 C ATOM 760 C ASN A 646 10.143 -5.329 12.917 1.00 45.54 C ATOM 761 O ASN A 646 9.854 -4.580 13.851 1.00 65.23 O ATOM 762 CB ASN A 646 9.212 -5.141 10.602 1.00 22.32 C ATOM 763 CG ASN A 646 9.387 -6.129 9.464 1.00 32.22 C ATOM 764 OD1 ASN A 646 10.428 -6.776 9.342 1.00 14.14 O ATOM 765 ND2 ASN A 646 8.366 -6.248 8.622 1.00 25.45 N ATOM 0 H ASN A 646 7.189 -4.908 12.003 1.00 33.11 H new ATOM 0 HA ASN A 646 9.204 -6.908 11.824 1.00 13.25 H new ATOM 0 HB2 ASN A 646 8.330 -4.529 10.416 1.00 22.32 H new ATOM 0 HB3 ASN A 646 10.068 -4.467 10.629 1.00 22.32 H new ATOM 0 HD21 ASN A 646 8.426 -6.896 7.836 1.00 25.45 H new ATOM 0 HD22 ASN A 646 7.522 -5.692 8.762 1.00 25.45 H new ATOM 772 N SER A 647 11.384 -5.741 12.677 1.00 40.41 N ATOM 773 CA SER A 647 12.502 -5.332 13.520 1.00 34.41 C ATOM 774 C SER A 647 13.162 -4.070 12.972 1.00 15.23 C ATOM 775 O SER A 647 13.651 -3.233 13.730 1.00 23.44 O ATOM 776 CB SER A 647 13.532 -6.458 13.619 1.00 33.13 C ATOM 777 OG SER A 647 12.906 -7.700 13.895 1.00 13.10 O ATOM 0 H SER A 647 11.641 -6.358 11.906 1.00 40.41 H new ATOM 0 HA SER A 647 12.114 -5.116 14.515 1.00 34.41 H new ATOM 0 HB2 SER A 647 14.090 -6.528 12.685 1.00 33.13 H new ATOM 0 HB3 SER A 647 14.252 -6.228 14.404 1.00 33.13 H new ATOM 0 HG SER A 647 13.586 -8.404 13.952 1.00 13.10 H new ATOM 783 N ASN A 648 13.171 -3.942 11.649 1.00 2.12 N ATOM 784 CA ASN A 648 13.772 -2.783 10.999 1.00 0.33 C ATOM 785 C ASN A 648 12.712 -1.951 10.283 1.00 63.43 C ATOM 786 O ASN A 648 11.827 -2.477 9.607 1.00 12.11 O ATOM 787 CB ASN A 648 14.844 -3.229 10.003 1.00 30.31 C ATOM 788 CG ASN A 648 14.251 -3.738 8.704 1.00 3.20 C ATOM 789 OD1 ASN A 648 13.493 -4.707 8.692 1.00 35.02 O ATOM 790 ND2 ASN A 648 14.596 -3.084 7.601 1.00 52.32 N ATOM 0 H ASN A 648 12.770 -4.625 11.007 1.00 2.12 H new ATOM 0 HA ASN A 648 14.235 -2.166 11.769 1.00 0.33 H new ATOM 0 HB2 ASN A 648 15.510 -2.393 9.792 1.00 30.31 H new ATOM 0 HB3 ASN A 648 15.451 -4.014 10.454 1.00 30.31 H new ATOM 0 HD21 ASN A 648 14.229 -3.380 6.697 1.00 52.32 H new ATOM 0 HD22 ASN A 648 15.228 -2.285 7.658 1.00 52.32 H new ATOM 797 N PRO A 649 12.803 -0.621 10.431 1.00 41.12 N ATOM 798 CA PRO A 649 11.862 0.312 9.805 1.00 74.51 C ATOM 799 C PRO A 649 12.025 0.371 8.291 1.00 41.42 C ATOM 800 O PRO A 649 11.232 1.007 7.596 1.00 60.54 O ATOM 801 CB PRO A 649 12.224 1.658 10.436 1.00 12.51 C ATOM 802 CG PRO A 649 13.651 1.516 10.837 1.00 2.32 C ATOM 803 CD PRO A 649 13.833 0.075 11.222 1.00 30.40 C ATOM 0 HA PRO A 649 10.826 0.016 9.967 1.00 74.51 H new ATOM 0 HB2 PRO A 649 12.091 2.476 9.728 1.00 12.51 H new ATOM 0 HB3 PRO A 649 11.591 1.875 11.296 1.00 12.51 H new ATOM 0 HG2 PRO A 649 14.315 1.787 10.017 1.00 2.32 H new ATOM 0 HG3 PRO A 649 13.889 2.176 11.671 1.00 2.32 H new ATOM 0 HD2 PRO A 649 14.834 -0.282 10.981 1.00 30.40 H new ATOM 0 HD3 PRO A 649 13.689 -0.077 12.292 1.00 30.40 H new ATOM 811 N ASP A 650 13.059 -0.294 7.785 1.00 75.01 N ATOM 812 CA ASP A 650 13.325 -0.317 6.352 1.00 64.24 C ATOM 813 C ASP A 650 12.628 -1.501 5.688 1.00 14.23 C ATOM 814 O ASP A 650 13.014 -1.932 4.603 1.00 70.53 O ATOM 815 CB ASP A 650 14.830 -0.387 6.092 1.00 24.22 C ATOM 816 CG ASP A 650 15.645 0.074 7.286 1.00 71.14 C ATOM 817 OD1 ASP A 650 15.443 1.222 7.733 1.00 41.53 O ATOM 818 OD2 ASP A 650 16.486 -0.712 7.770 1.00 32.34 O ATOM 0 H ASP A 650 13.726 -0.824 8.346 1.00 75.01 H new ATOM 0 HA ASP A 650 12.931 0.603 5.921 1.00 64.24 H new ATOM 0 HB2 ASP A 650 15.105 -1.411 5.841 1.00 24.22 H new ATOM 0 HB3 ASP A 650 15.076 0.230 5.228 1.00 24.22 H new ATOM 823 N GLU A 651 11.598 -2.021 6.350 1.00 60.35 N ATOM 824 CA GLU A 651 10.848 -3.155 5.824 1.00 72.11 C ATOM 825 C GLU A 651 9.386 -3.089 6.257 1.00 73.24 C ATOM 826 O GLU A 651 9.083 -2.789 7.412 1.00 54.35 O ATOM 827 CB GLU A 651 11.471 -4.471 6.296 1.00 0.55 C ATOM 828 CG GLU A 651 10.736 -5.705 5.804 1.00 72.00 C ATOM 829 CD GLU A 651 11.677 -6.800 5.343 1.00 74.24 C ATOM 830 OE1 GLU A 651 12.773 -6.927 5.927 1.00 32.32 O ATOM 831 OE2 GLU A 651 11.317 -7.532 4.396 1.00 42.20 O ATOM 0 H GLU A 651 11.265 -1.675 7.250 1.00 60.35 H new ATOM 0 HA GLU A 651 10.890 -3.111 4.736 1.00 72.11 H new ATOM 0 HB2 GLU A 651 12.506 -4.515 5.956 1.00 0.55 H new ATOM 0 HB3 GLU A 651 11.493 -4.482 7.386 1.00 0.55 H new ATOM 0 HG2 GLU A 651 10.102 -6.089 6.604 1.00 72.00 H new ATOM 0 HG3 GLU A 651 10.077 -5.427 4.981 1.00 72.00 H new ATOM 838 N ILE A 652 8.485 -3.371 5.322 1.00 40.53 N ATOM 839 CA ILE A 652 7.056 -3.343 5.605 1.00 34.54 C ATOM 840 C ILE A 652 6.324 -4.451 4.855 1.00 2.52 C ATOM 841 O ILE A 652 6.673 -4.780 3.722 1.00 61.52 O ATOM 842 CB ILE A 652 6.432 -1.986 5.230 1.00 44.03 C ATOM 843 CG1 ILE A 652 5.419 -1.553 6.292 1.00 60.21 C ATOM 844 CG2 ILE A 652 5.772 -2.067 3.862 1.00 33.14 C ATOM 845 CD1 ILE A 652 4.116 -1.048 5.714 1.00 24.33 C ATOM 0 H ILE A 652 8.720 -3.622 4.362 1.00 40.53 H new ATOM 0 HA ILE A 652 6.946 -3.499 6.678 1.00 34.54 H new ATOM 0 HB ILE A 652 7.224 -1.239 5.186 1.00 44.03 H new ATOM 0 HG12 ILE A 652 5.212 -2.397 6.950 1.00 60.21 H new ATOM 0 HG13 ILE A 652 5.862 -0.770 6.907 1.00 60.21 H new ATOM 0 HG21 ILE A 652 5.335 -1.100 3.611 1.00 33.14 H new ATOM 0 HG22 ILE A 652 6.518 -2.334 3.113 1.00 33.14 H new ATOM 0 HG23 ILE A 652 4.989 -2.825 3.880 1.00 33.14 H new ATOM 0 HD11 ILE A 652 3.446 -0.759 6.524 1.00 24.33 H new ATOM 0 HD12 ILE A 652 4.311 -0.184 5.078 1.00 24.33 H new ATOM 0 HD13 ILE A 652 3.651 -1.836 5.122 1.00 24.33 H new ATOM 857 N GLU A 653 5.307 -5.020 5.494 1.00 33.10 N ATOM 858 CA GLU A 653 4.526 -6.090 4.885 1.00 61.54 C ATOM 859 C GLU A 653 3.074 -5.663 4.693 1.00 3.32 C ATOM 860 O GLU A 653 2.267 -5.735 5.620 1.00 53.45 O ATOM 861 CB GLU A 653 4.587 -7.352 5.749 1.00 62.01 C ATOM 862 CG GLU A 653 4.352 -8.635 4.970 1.00 62.34 C ATOM 863 CD GLU A 653 3.937 -9.790 5.860 1.00 31.51 C ATOM 864 OE1 GLU A 653 2.919 -9.653 6.573 1.00 64.41 O ATOM 865 OE2 GLU A 653 4.627 -10.830 5.845 1.00 30.21 O ATOM 0 H GLU A 653 5.005 -4.758 6.432 1.00 33.10 H new ATOM 0 HA GLU A 653 4.956 -6.306 3.907 1.00 61.54 H new ATOM 0 HB2 GLU A 653 5.562 -7.404 6.233 1.00 62.01 H new ATOM 0 HB3 GLU A 653 3.842 -7.276 6.541 1.00 62.01 H new ATOM 0 HG2 GLU A 653 3.580 -8.464 4.220 1.00 62.34 H new ATOM 0 HG3 GLU A 653 5.263 -8.903 4.435 1.00 62.34 H new ATOM 872 N ILE A 654 2.750 -5.217 3.484 1.00 0.11 N ATOM 873 CA ILE A 654 1.396 -4.778 3.170 1.00 51.43 C ATOM 874 C ILE A 654 0.543 -5.940 2.673 1.00 12.15 C ATOM 875 O ILE A 654 0.730 -6.430 1.559 1.00 71.21 O ATOM 876 CB ILE A 654 1.397 -3.666 2.104 1.00 5.15 C ATOM 877 CG1 ILE A 654 2.396 -2.569 2.482 1.00 51.04 C ATOM 878 CG2 ILE A 654 0.001 -3.085 1.943 1.00 44.34 C ATOM 879 CD1 ILE A 654 2.439 -1.424 1.495 1.00 75.54 C ATOM 0 H ILE A 654 3.406 -5.150 2.706 1.00 0.11 H new ATOM 0 HA ILE A 654 0.970 -4.385 4.093 1.00 51.43 H new ATOM 0 HB ILE A 654 1.702 -4.097 1.150 1.00 5.15 H new ATOM 0 HG12 ILE A 654 2.140 -2.179 3.467 1.00 51.04 H new ATOM 0 HG13 ILE A 654 3.391 -3.007 2.562 1.00 51.04 H new ATOM 0 HG21 ILE A 654 0.018 -2.301 1.186 1.00 44.34 H new ATOM 0 HG22 ILE A 654 -0.687 -3.872 1.634 1.00 44.34 H new ATOM 0 HG23 ILE A 654 -0.330 -2.665 2.893 1.00 44.34 H new ATOM 0 HD11 ILE A 654 3.168 -0.685 1.827 1.00 75.54 H new ATOM 0 HD12 ILE A 654 2.725 -1.801 0.513 1.00 75.54 H new ATOM 0 HD13 ILE A 654 1.455 -0.960 1.433 1.00 75.54 H new ATOM 891 N ASP A 655 -0.396 -6.375 3.506 1.00 31.25 N ATOM 892 CA ASP A 655 -1.282 -7.479 3.152 1.00 4.14 C ATOM 893 C ASP A 655 -2.742 -7.042 3.206 1.00 5.21 C ATOM 894 O ASP A 655 -3.373 -7.077 4.262 1.00 31.13 O ATOM 895 CB ASP A 655 -1.056 -8.664 4.092 1.00 2.22 C ATOM 896 CG ASP A 655 0.236 -8.543 4.876 1.00 21.21 C ATOM 897 OD1 ASP A 655 0.231 -7.871 5.928 1.00 64.15 O ATOM 898 OD2 ASP A 655 1.254 -9.122 4.438 1.00 53.34 O ATOM 0 H ASP A 655 -0.564 -5.980 4.431 1.00 31.25 H new ATOM 0 HA ASP A 655 -1.051 -7.786 2.132 1.00 4.14 H new ATOM 0 HB2 ASP A 655 -1.893 -8.738 4.786 1.00 2.22 H new ATOM 0 HB3 ASP A 655 -1.040 -9.587 3.512 1.00 2.22 H new ATOM 903 N PHE A 656 -3.273 -6.630 2.060 1.00 0.40 N ATOM 904 CA PHE A 656 -4.660 -6.184 1.977 1.00 62.30 C ATOM 905 C PHE A 656 -5.612 -7.282 2.440 1.00 73.03 C ATOM 906 O PHE A 656 -6.718 -7.003 2.903 1.00 24.11 O ATOM 907 CB PHE A 656 -4.999 -5.770 0.544 1.00 73.14 C ATOM 908 CG PHE A 656 -4.214 -4.584 0.060 1.00 23.35 C ATOM 909 CD1 PHE A 656 -3.953 -3.518 0.906 1.00 52.32 C ATOM 910 CD2 PHE A 656 -3.737 -4.536 -1.240 1.00 65.22 C ATOM 911 CE1 PHE A 656 -3.231 -2.425 0.464 1.00 60.53 C ATOM 912 CE2 PHE A 656 -3.013 -3.446 -1.687 1.00 15.12 C ATOM 913 CZ PHE A 656 -2.761 -2.389 -0.834 1.00 40.22 C ATOM 0 H PHE A 656 -2.765 -6.595 1.176 1.00 0.40 H new ATOM 0 HA PHE A 656 -4.779 -5.323 2.635 1.00 62.30 H new ATOM 0 HB2 PHE A 656 -4.816 -6.613 -0.122 1.00 73.14 H new ATOM 0 HB3 PHE A 656 -6.063 -5.541 0.483 1.00 73.14 H new ATOM 0 HD1 PHE A 656 -4.318 -3.541 1.922 1.00 52.32 H new ATOM 0 HD2 PHE A 656 -3.933 -5.359 -1.911 1.00 65.22 H new ATOM 0 HE1 PHE A 656 -3.035 -1.600 1.133 1.00 60.53 H new ATOM 0 HE2 PHE A 656 -2.645 -3.421 -2.702 1.00 15.12 H new ATOM 0 HZ PHE A 656 -2.197 -1.536 -1.182 1.00 40.22 H new ATOM 923 N GLU A 657 -5.175 -8.531 2.311 1.00 53.32 N ATOM 924 CA GLU A 657 -5.990 -9.671 2.714 1.00 15.54 C ATOM 925 C GLU A 657 -6.479 -9.507 4.151 1.00 63.42 C ATOM 926 O GLU A 657 -7.562 -9.974 4.508 1.00 44.43 O ATOM 927 CB GLU A 657 -5.192 -10.970 2.580 1.00 14.50 C ATOM 928 CG GLU A 657 -4.116 -11.135 3.640 1.00 73.55 C ATOM 929 CD GLU A 657 -4.643 -11.774 4.910 1.00 14.24 C ATOM 930 OE1 GLU A 657 -5.828 -12.167 4.931 1.00 75.21 O ATOM 931 OE2 GLU A 657 -3.869 -11.879 5.885 1.00 34.32 O ATOM 0 H GLU A 657 -4.262 -8.779 1.931 1.00 53.32 H new ATOM 0 HA GLU A 657 -6.857 -9.717 2.055 1.00 15.54 H new ATOM 0 HB2 GLU A 657 -5.878 -11.815 2.636 1.00 14.50 H new ATOM 0 HB3 GLU A 657 -4.727 -11.001 1.595 1.00 14.50 H new ATOM 0 HG2 GLU A 657 -3.307 -11.745 3.239 1.00 73.55 H new ATOM 0 HG3 GLU A 657 -3.692 -10.159 3.877 1.00 73.55 H new ATOM 938 N THR A 658 -5.673 -8.843 4.972 1.00 0.15 N ATOM 939 CA THR A 658 -6.021 -8.619 6.371 1.00 70.42 C ATOM 940 C THR A 658 -6.146 -7.131 6.674 1.00 32.23 C ATOM 941 O THR A 658 -6.853 -6.734 7.602 1.00 31.24 O ATOM 942 CB THR A 658 -4.974 -9.239 7.316 1.00 43.44 C ATOM 943 OG1 THR A 658 -5.242 -8.848 8.667 1.00 54.32 O ATOM 944 CG2 THR A 658 -3.569 -8.803 6.927 1.00 4.03 C ATOM 0 H THR A 658 -4.774 -8.450 4.693 1.00 0.15 H new ATOM 0 HA THR A 658 -6.983 -9.103 6.540 1.00 70.42 H new ATOM 0 HB THR A 658 -5.038 -10.324 7.232 1.00 43.44 H new ATOM 0 HG1 THR A 658 -4.573 -9.247 9.262 1.00 54.32 H new ATOM 0 HG21 THR A 658 -2.847 -9.253 7.608 1.00 4.03 H new ATOM 0 HG22 THR A 658 -3.357 -9.126 5.908 1.00 4.03 H new ATOM 0 HG23 THR A 658 -3.496 -7.717 6.986 1.00 4.03 H new ATOM 952 N LEU A 659 -5.458 -6.310 5.888 1.00 24.51 N ATOM 953 CA LEU A 659 -5.493 -4.865 6.073 1.00 10.31 C ATOM 954 C LEU A 659 -6.927 -4.345 6.031 1.00 34.04 C ATOM 955 O LEU A 659 -7.826 -5.011 5.516 1.00 2.31 O ATOM 956 CB LEU A 659 -4.657 -4.172 4.996 1.00 63.41 C ATOM 957 CG LEU A 659 -3.550 -3.245 5.499 1.00 71.00 C ATOM 958 CD1 LEU A 659 -4.145 -1.985 6.109 1.00 31.01 C ATOM 959 CD2 LEU A 659 -2.669 -3.964 6.510 1.00 74.43 C ATOM 0 H LEU A 659 -4.869 -6.622 5.116 1.00 24.51 H new ATOM 0 HA LEU A 659 -5.072 -4.639 7.053 1.00 10.31 H new ATOM 0 HB2 LEU A 659 -4.204 -4.938 4.367 1.00 63.41 H new ATOM 0 HB3 LEU A 659 -5.327 -3.593 4.360 1.00 63.41 H new ATOM 0 HG LEU A 659 -2.931 -2.956 4.649 1.00 71.00 H new ATOM 0 HD11 LEU A 659 -3.342 -1.337 6.461 1.00 31.01 H new ATOM 0 HD12 LEU A 659 -4.732 -1.459 5.356 1.00 31.01 H new ATOM 0 HD13 LEU A 659 -4.788 -2.255 6.947 1.00 31.01 H new ATOM 0 HD21 LEU A 659 -1.887 -3.288 6.857 1.00 74.43 H new ATOM 0 HD22 LEU A 659 -3.275 -4.284 7.358 1.00 74.43 H new ATOM 0 HD23 LEU A 659 -2.213 -4.836 6.041 1.00 74.43 H new ATOM 971 N LYS A 660 -7.134 -3.151 6.575 1.00 42.50 N ATOM 972 CA LYS A 660 -8.457 -2.538 6.598 1.00 61.52 C ATOM 973 C LYS A 660 -8.705 -1.731 5.328 1.00 1.51 C ATOM 974 O LYS A 660 -7.776 -1.353 4.612 1.00 34.41 O ATOM 975 CB LYS A 660 -8.604 -1.637 7.825 1.00 72.10 C ATOM 976 CG LYS A 660 -9.175 -2.350 9.039 1.00 44.13 C ATOM 977 CD LYS A 660 -8.242 -2.250 10.234 1.00 21.24 C ATOM 978 CE LYS A 660 -8.829 -2.936 11.458 1.00 73.00 C ATOM 979 NZ LYS A 660 -9.368 -1.953 12.439 1.00 2.13 N ATOM 0 H LYS A 660 -6.401 -2.588 7.007 1.00 42.50 H new ATOM 0 HA LYS A 660 -9.198 -3.336 6.651 1.00 61.52 H new ATOM 0 HB2 LYS A 660 -7.628 -1.225 8.082 1.00 72.10 H new ATOM 0 HB3 LYS A 660 -9.249 -0.795 7.572 1.00 72.10 H new ATOM 0 HG2 LYS A 660 -10.142 -1.918 9.294 1.00 44.13 H new ATOM 0 HG3 LYS A 660 -9.348 -3.399 8.798 1.00 44.13 H new ATOM 0 HD2 LYS A 660 -7.282 -2.704 9.987 1.00 21.24 H new ATOM 0 HD3 LYS A 660 -8.050 -1.201 10.460 1.00 21.24 H new ATOM 0 HE2 LYS A 660 -9.625 -3.614 11.148 1.00 73.00 H new ATOM 0 HE3 LYS A 660 -8.061 -3.544 11.937 1.00 73.00 H new ATOM 0 HZ1 LYS A 660 -9.759 -2.460 13.259 1.00 2.13 H new ATOM 0 HZ2 LYS A 660 -8.604 -1.322 12.754 1.00 2.13 H new ATOM 0 HZ3 LYS A 660 -10.118 -1.390 11.990 1.00 2.13 H new ATOM 993 N PRO A 661 -9.986 -1.457 5.039 1.00 2.45 N ATOM 994 CA PRO A 661 -10.384 -0.688 3.857 1.00 73.03 C ATOM 995 C PRO A 661 -9.991 0.781 3.959 1.00 2.05 C ATOM 996 O PRO A 661 -9.603 1.401 2.969 1.00 31.01 O ATOM 997 CB PRO A 661 -11.908 -0.833 3.836 1.00 71.53 C ATOM 998 CG PRO A 661 -12.283 -1.092 5.255 1.00 41.25 C ATOM 999 CD PRO A 661 -11.144 -1.874 5.847 1.00 31.44 C ATOM 0 HA PRO A 661 -9.894 -1.050 2.953 1.00 73.03 H new ATOM 0 HB2 PRO A 661 -12.387 0.071 3.459 1.00 71.53 H new ATOM 0 HB3 PRO A 661 -12.219 -1.653 3.188 1.00 71.53 H new ATOM 0 HG2 PRO A 661 -12.437 -0.158 5.795 1.00 41.25 H new ATOM 0 HG3 PRO A 661 -13.215 -1.653 5.316 1.00 41.25 H new ATOM 0 HD2 PRO A 661 -11.002 -1.641 6.902 1.00 31.44 H new ATOM 0 HD3 PRO A 661 -11.316 -2.948 5.778 1.00 31.44 H new ATOM 1007 N SER A 662 -10.091 1.334 5.164 1.00 21.45 N ATOM 1008 CA SER A 662 -9.749 2.732 5.396 1.00 61.12 C ATOM 1009 C SER A 662 -8.332 3.031 4.915 1.00 32.35 C ATOM 1010 O SER A 662 -8.095 4.017 4.217 1.00 12.34 O ATOM 1011 CB SER A 662 -9.877 3.071 6.882 1.00 24.02 C ATOM 1012 OG SER A 662 -11.005 3.895 7.122 1.00 62.40 O ATOM 0 H SER A 662 -10.407 0.834 5.995 1.00 21.45 H new ATOM 0 HA SER A 662 -10.445 3.350 4.829 1.00 61.12 H new ATOM 0 HB2 SER A 662 -9.964 2.152 7.462 1.00 24.02 H new ATOM 0 HB3 SER A 662 -8.974 3.578 7.222 1.00 24.02 H new ATOM 0 HG SER A 662 -11.066 4.096 8.079 1.00 62.40 H new ATOM 1018 N THR A 663 -7.392 2.170 5.293 1.00 2.53 N ATOM 1019 CA THR A 663 -5.998 2.341 4.903 1.00 2.40 C ATOM 1020 C THR A 663 -5.806 2.068 3.416 1.00 2.23 C ATOM 1021 O THR A 663 -5.040 2.757 2.741 1.00 14.40 O ATOM 1022 CB THR A 663 -5.071 1.412 5.708 1.00 20.24 C ATOM 1023 OG1 THR A 663 -5.455 1.412 7.088 1.00 61.11 O ATOM 1024 CG2 THR A 663 -3.620 1.851 5.580 1.00 30.42 C ATOM 0 H THR A 663 -7.571 1.347 5.869 1.00 2.53 H new ATOM 0 HA THR A 663 -5.735 3.377 5.116 1.00 2.40 H new ATOM 0 HB THR A 663 -5.165 0.404 5.305 1.00 20.24 H new ATOM 0 HG1 THR A 663 -5.239 0.544 7.488 1.00 61.11 H new ATOM 0 HG21 THR A 663 -2.984 1.180 6.157 1.00 30.42 H new ATOM 0 HG22 THR A 663 -3.322 1.821 4.532 1.00 30.42 H new ATOM 0 HG23 THR A 663 -3.513 2.867 5.959 1.00 30.42 H new ATOM 1032 N LEU A 664 -6.505 1.059 2.910 1.00 31.53 N ATOM 1033 CA LEU A 664 -6.413 0.694 1.501 1.00 43.10 C ATOM 1034 C LEU A 664 -6.707 1.895 0.607 1.00 30.41 C ATOM 1035 O LEU A 664 -5.860 2.317 -0.181 1.00 3.32 O ATOM 1036 CB LEU A 664 -7.385 -0.444 1.182 1.00 2.33 C ATOM 1037 CG LEU A 664 -6.754 -1.812 0.923 1.00 30.20 C ATOM 1038 CD1 LEU A 664 -6.728 -2.638 2.200 1.00 4.52 C ATOM 1039 CD2 LEU A 664 -7.510 -2.548 -0.174 1.00 24.43 C ATOM 0 H LEU A 664 -7.142 0.478 3.455 1.00 31.53 H new ATOM 0 HA LEU A 664 -5.395 0.358 1.305 1.00 43.10 H new ATOM 0 HB2 LEU A 664 -8.085 -0.540 2.012 1.00 2.33 H new ATOM 0 HB3 LEU A 664 -7.967 -0.163 0.305 1.00 2.33 H new ATOM 0 HG LEU A 664 -5.727 -1.660 0.591 1.00 30.20 H new ATOM 0 HD11 LEU A 664 -6.275 -3.609 1.996 1.00 4.52 H new ATOM 0 HD12 LEU A 664 -6.144 -2.117 2.958 1.00 4.52 H new ATOM 0 HD13 LEU A 664 -7.746 -2.781 2.562 1.00 4.52 H new ATOM 0 HD21 LEU A 664 -7.047 -3.520 -0.346 1.00 24.43 H new ATOM 0 HD22 LEU A 664 -8.547 -2.688 0.130 1.00 24.43 H new ATOM 0 HD23 LEU A 664 -7.478 -1.963 -1.093 1.00 24.43 H new ATOM 1051 N ARG A 665 -7.912 2.440 0.736 1.00 54.10 N ATOM 1052 CA ARG A 665 -8.318 3.593 -0.059 1.00 40.24 C ATOM 1053 C ARG A 665 -7.417 4.792 0.222 1.00 1.44 C ATOM 1054 O ARG A 665 -7.156 5.605 -0.662 1.00 41.43 O ATOM 1055 CB ARG A 665 -9.774 3.955 0.236 1.00 60.23 C ATOM 1056 CG ARG A 665 -10.476 4.647 -0.922 1.00 20.44 C ATOM 1057 CD ARG A 665 -10.645 6.135 -0.662 1.00 64.31 C ATOM 1058 NE ARG A 665 -12.017 6.475 -0.298 1.00 75.04 N ATOM 1059 CZ ARG A 665 -12.511 7.707 -0.359 1.00 3.04 C ATOM 1060 NH1 ARG A 665 -11.747 8.711 -0.767 1.00 20.03 N ATOM 1061 NH2 ARG A 665 -13.770 7.937 -0.010 1.00 35.43 N ATOM 0 H ARG A 665 -8.624 2.102 1.383 1.00 54.10 H new ATOM 0 HA ARG A 665 -8.223 3.328 -1.112 1.00 40.24 H new ATOM 0 HB2 ARG A 665 -10.321 3.047 0.491 1.00 60.23 H new ATOM 0 HB3 ARG A 665 -9.808 4.604 1.111 1.00 60.23 H new ATOM 0 HG2 ARG A 665 -9.902 4.499 -1.837 1.00 20.44 H new ATOM 0 HG3 ARG A 665 -11.453 4.191 -1.081 1.00 20.44 H new ATOM 0 HD2 ARG A 665 -9.971 6.442 0.138 1.00 64.31 H new ATOM 0 HD3 ARG A 665 -10.357 6.693 -1.553 1.00 64.31 H new ATOM 0 HE ARG A 665 -12.631 5.725 0.021 1.00 75.04 H new ATOM 0 HH11 ARG A 665 -10.778 8.538 -1.035 1.00 20.03 H new ATOM 0 HH12 ARG A 665 -12.128 9.656 -0.813 1.00 20.03 H new ATOM 0 HH21 ARG A 665 -14.360 7.168 0.306 1.00 35.43 H new ATOM 0 HH22 ARG A 665 -14.148 8.883 -0.057 1.00 35.43 H new ATOM 1075 N GLU A 666 -6.946 4.893 1.462 1.00 45.21 N ATOM 1076 CA GLU A 666 -6.076 5.994 1.860 1.00 61.45 C ATOM 1077 C GLU A 666 -4.902 6.135 0.895 1.00 11.14 C ATOM 1078 O GLU A 666 -4.458 7.246 0.598 1.00 35.32 O ATOM 1079 CB GLU A 666 -5.557 5.775 3.283 1.00 74.24 C ATOM 1080 CG GLU A 666 -6.036 6.823 4.273 1.00 75.05 C ATOM 1081 CD GLU A 666 -5.052 7.966 4.434 1.00 73.21 C ATOM 1082 OE1 GLU A 666 -4.657 8.557 3.408 1.00 1.42 O ATOM 1083 OE2 GLU A 666 -4.678 8.268 5.586 1.00 33.22 O ATOM 0 H GLU A 666 -7.152 4.227 2.207 1.00 45.21 H new ATOM 0 HA GLU A 666 -6.660 6.914 1.832 1.00 61.45 H new ATOM 0 HB2 GLU A 666 -5.872 4.790 3.628 1.00 74.24 H new ATOM 0 HB3 GLU A 666 -4.467 5.774 3.267 1.00 74.24 H new ATOM 0 HG2 GLU A 666 -6.996 7.219 3.941 1.00 75.05 H new ATOM 0 HG3 GLU A 666 -6.203 6.353 5.242 1.00 75.05 H new ATOM 1090 N LEU A 667 -4.403 5.004 0.411 1.00 32.42 N ATOM 1091 CA LEU A 667 -3.279 5.000 -0.521 1.00 31.45 C ATOM 1092 C LEU A 667 -3.724 5.439 -1.912 1.00 64.20 C ATOM 1093 O LEU A 667 -3.063 6.251 -2.557 1.00 0.53 O ATOM 1094 CB LEU A 667 -2.652 3.606 -0.588 1.00 12.24 C ATOM 1095 CG LEU A 667 -2.707 2.783 0.699 1.00 34.25 C ATOM 1096 CD1 LEU A 667 -1.934 1.483 0.535 1.00 44.43 C ATOM 1097 CD2 LEU A 667 -2.160 3.586 1.870 1.00 54.40 C ATOM 0 H LEU A 667 -4.758 4.077 0.648 1.00 32.42 H new ATOM 0 HA LEU A 667 -2.535 5.709 -0.158 1.00 31.45 H new ATOM 0 HB2 LEU A 667 -3.150 3.043 -1.377 1.00 12.24 H new ATOM 0 HB3 LEU A 667 -1.608 3.713 -0.883 1.00 12.24 H new ATOM 0 HG LEU A 667 -3.749 2.539 0.907 1.00 34.25 H new ATOM 0 HD11 LEU A 667 -1.984 0.910 1.461 1.00 44.43 H new ATOM 0 HD12 LEU A 667 -2.370 0.900 -0.276 1.00 44.43 H new ATOM 0 HD13 LEU A 667 -0.893 1.706 0.302 1.00 44.43 H new ATOM 0 HD21 LEU A 667 -2.207 2.984 2.778 1.00 54.40 H new ATOM 0 HD22 LEU A 667 -1.124 3.861 1.670 1.00 54.40 H new ATOM 0 HD23 LEU A 667 -2.756 4.489 2.002 1.00 54.40 H new ATOM 1109 N GLU A 668 -4.849 4.895 -2.367 1.00 11.22 N ATOM 1110 CA GLU A 668 -5.381 5.232 -3.681 1.00 73.00 C ATOM 1111 C GLU A 668 -5.643 6.732 -3.795 1.00 25.45 C ATOM 1112 O GLU A 668 -5.564 7.306 -4.881 1.00 60.33 O ATOM 1113 CB GLU A 668 -6.674 4.457 -3.946 1.00 43.05 C ATOM 1114 CG GLU A 668 -7.084 4.439 -5.409 1.00 65.42 C ATOM 1115 CD GLU A 668 -8.180 3.431 -5.696 1.00 51.22 C ATOM 1116 OE1 GLU A 668 -9.094 3.293 -4.857 1.00 30.24 O ATOM 1117 OE2 GLU A 668 -8.123 2.781 -6.761 1.00 33.50 O ATOM 0 H GLU A 668 -5.408 4.220 -1.845 1.00 11.22 H new ATOM 0 HA GLU A 668 -4.638 4.953 -4.428 1.00 73.00 H new ATOM 0 HB2 GLU A 668 -6.550 3.431 -3.599 1.00 43.05 H new ATOM 0 HB3 GLU A 668 -7.479 4.897 -3.357 1.00 43.05 H new ATOM 0 HG2 GLU A 668 -7.425 5.433 -5.699 1.00 65.42 H new ATOM 0 HG3 GLU A 668 -6.214 4.208 -6.023 1.00 65.42 H new ATOM 1124 N ARG A 669 -5.955 7.359 -2.666 1.00 2.25 N ATOM 1125 CA ARG A 669 -6.230 8.790 -2.638 1.00 2.11 C ATOM 1126 C ARG A 669 -4.936 9.594 -2.740 1.00 53.51 C ATOM 1127 O ARG A 669 -4.907 10.666 -3.346 1.00 65.42 O ATOM 1128 CB ARG A 669 -6.974 9.164 -1.355 1.00 32.43 C ATOM 1129 CG ARG A 669 -8.178 10.060 -1.587 1.00 55.54 C ATOM 1130 CD ARG A 669 -8.098 11.329 -0.753 1.00 22.13 C ATOM 1131 NE ARG A 669 -7.435 12.415 -1.470 1.00 24.34 N ATOM 1132 CZ ARG A 669 -7.476 13.684 -1.082 1.00 2.40 C ATOM 1133 NH1 ARG A 669 -8.144 14.026 0.012 1.00 44.40 N ATOM 1134 NH2 ARG A 669 -6.847 14.616 -1.787 1.00 23.11 N ATOM 0 H ARG A 669 -6.024 6.898 -1.759 1.00 2.25 H new ATOM 0 HA ARG A 669 -6.857 9.030 -3.497 1.00 2.11 H new ATOM 0 HB2 ARG A 669 -7.302 8.252 -0.856 1.00 32.43 H new ATOM 0 HB3 ARG A 669 -6.283 9.667 -0.678 1.00 32.43 H new ATOM 0 HG2 ARG A 669 -8.240 10.321 -2.643 1.00 55.54 H new ATOM 0 HG3 ARG A 669 -9.090 9.517 -1.339 1.00 55.54 H new ATOM 0 HD2 ARG A 669 -9.104 11.642 -0.471 1.00 22.13 H new ATOM 0 HD3 ARG A 669 -7.558 11.122 0.171 1.00 22.13 H new ATOM 0 HE ARG A 669 -6.912 12.186 -2.315 1.00 24.34 H new ATOM 0 HH11 ARG A 669 -8.628 13.313 0.558 1.00 44.40 H new ATOM 0 HH12 ARG A 669 -8.174 15.002 0.307 1.00 44.40 H new ATOM 0 HH21 ARG A 669 -6.331 14.358 -2.628 1.00 23.11 H new ATOM 0 HH22 ARG A 669 -6.879 15.591 -1.488 1.00 23.11 H new ATOM 1148 N TYR A 670 -3.871 9.070 -2.145 1.00 12.24 N ATOM 1149 CA TYR A 670 -2.576 9.740 -2.167 1.00 13.15 C ATOM 1150 C TYR A 670 -1.883 9.542 -3.511 1.00 51.35 C ATOM 1151 O TYR A 670 -1.340 10.485 -4.088 1.00 32.12 O ATOM 1152 CB TYR A 670 -1.687 9.213 -1.039 1.00 31.23 C ATOM 1153 CG TYR A 670 -1.562 10.165 0.129 1.00 32.32 C ATOM 1154 CD1 TYR A 670 -2.600 10.318 1.040 1.00 42.11 C ATOM 1155 CD2 TYR A 670 -0.405 10.909 0.322 1.00 15.41 C ATOM 1156 CE1 TYR A 670 -2.490 11.188 2.107 1.00 23.44 C ATOM 1157 CE2 TYR A 670 -0.286 11.780 1.389 1.00 50.44 C ATOM 1158 CZ TYR A 670 -1.331 11.916 2.278 1.00 21.21 C ATOM 1159 OH TYR A 670 -1.218 12.782 3.341 1.00 22.11 O ATOM 0 H TYR A 670 -3.878 8.183 -1.641 1.00 12.24 H new ATOM 0 HA TYR A 670 -2.744 10.807 -2.020 1.00 13.15 H new ATOM 0 HB2 TYR A 670 -2.090 8.265 -0.683 1.00 31.23 H new ATOM 0 HB3 TYR A 670 -0.693 9.007 -1.437 1.00 31.23 H new ATOM 0 HD1 TYR A 670 -3.508 9.747 0.912 1.00 42.11 H new ATOM 0 HD2 TYR A 670 0.415 10.805 -0.373 1.00 15.41 H new ATOM 0 HE1 TYR A 670 -3.308 11.298 2.804 1.00 23.44 H new ATOM 0 HE2 TYR A 670 0.621 12.351 1.525 1.00 50.44 H new ATOM 0 HH TYR A 670 -0.340 13.216 3.317 1.00 22.11 H new ATOM 1169 N VAL A 671 -1.907 8.308 -4.005 1.00 44.04 N ATOM 1170 CA VAL A 671 -1.283 7.985 -5.283 1.00 44.02 C ATOM 1171 C VAL A 671 -1.887 8.809 -6.414 1.00 41.32 C ATOM 1172 O VAL A 671 -1.199 9.172 -7.369 1.00 43.11 O ATOM 1173 CB VAL A 671 -1.431 6.489 -5.617 1.00 50.11 C ATOM 1174 CG1 VAL A 671 -2.878 6.157 -5.949 1.00 40.14 C ATOM 1175 CG2 VAL A 671 -0.511 6.106 -6.766 1.00 20.30 C ATOM 0 H VAL A 671 -2.351 7.516 -3.540 1.00 44.04 H new ATOM 0 HA VAL A 671 -0.224 8.226 -5.188 1.00 44.02 H new ATOM 0 HB VAL A 671 -1.141 5.909 -4.741 1.00 50.11 H new ATOM 0 HG11 VAL A 671 -2.963 5.096 -6.182 1.00 40.14 H new ATOM 0 HG12 VAL A 671 -3.511 6.392 -5.093 1.00 40.14 H new ATOM 0 HG13 VAL A 671 -3.198 6.745 -6.809 1.00 40.14 H new ATOM 0 HG21 VAL A 671 -0.629 5.045 -6.988 1.00 20.30 H new ATOM 0 HG22 VAL A 671 -0.767 6.692 -7.648 1.00 20.30 H new ATOM 0 HG23 VAL A 671 0.523 6.305 -6.486 1.00 20.30 H new ATOM 1185 N THR A 672 -3.178 9.105 -6.299 1.00 70.15 N ATOM 1186 CA THR A 672 -3.875 9.887 -7.312 1.00 71.15 C ATOM 1187 C THR A 672 -3.500 11.362 -7.224 1.00 64.25 C ATOM 1188 O THR A 672 -3.419 12.053 -8.240 1.00 11.13 O ATOM 1189 CB THR A 672 -5.404 9.749 -7.174 1.00 3.23 C ATOM 1190 OG1 THR A 672 -5.791 8.383 -7.360 1.00 10.41 O ATOM 1191 CG2 THR A 672 -6.120 10.627 -8.189 1.00 12.52 C ATOM 0 H THR A 672 -3.762 8.815 -5.514 1.00 70.15 H new ATOM 0 HA THR A 672 -3.567 9.494 -8.281 1.00 71.15 H new ATOM 0 HB THR A 672 -5.687 10.073 -6.173 1.00 3.23 H new ATOM 0 HG1 THR A 672 -5.707 7.901 -6.511 1.00 10.41 H new ATOM 0 HG21 THR A 672 -7.198 10.513 -8.073 1.00 12.52 H new ATOM 0 HG22 THR A 672 -5.846 11.669 -8.026 1.00 12.52 H new ATOM 0 HG23 THR A 672 -5.830 10.329 -9.197 1.00 12.52 H new ATOM 1199 N SER A 673 -3.269 11.837 -6.005 1.00 1.12 N ATOM 1200 CA SER A 673 -2.904 13.232 -5.785 1.00 25.14 C ATOM 1201 C SER A 673 -1.556 13.548 -6.425 1.00 23.10 C ATOM 1202 O SER A 673 -1.343 14.647 -6.939 1.00 10.42 O ATOM 1203 CB SER A 673 -2.854 13.536 -4.286 1.00 44.23 C ATOM 1204 OG SER A 673 -2.490 14.886 -4.052 1.00 40.23 O ATOM 0 H SER A 673 -3.328 11.277 -5.154 1.00 1.12 H new ATOM 0 HA SER A 673 -3.663 13.860 -6.251 1.00 25.14 H new ATOM 0 HB2 SER A 673 -3.827 13.335 -3.838 1.00 44.23 H new ATOM 0 HB3 SER A 673 -2.137 12.873 -3.801 1.00 44.23 H new ATOM 0 HG SER A 673 -2.466 15.056 -3.087 1.00 40.23 H new ATOM 1210 N CYS A 674 -0.650 12.577 -6.391 1.00 11.55 N ATOM 1211 CA CYS A 674 0.679 12.751 -6.967 1.00 52.31 C ATOM 1212 C CYS A 674 0.689 12.357 -8.441 1.00 13.14 C ATOM 1213 O CYS A 674 1.286 13.041 -9.273 1.00 72.11 O ATOM 1214 CB CYS A 674 1.705 11.918 -6.197 1.00 1.53 C ATOM 1215 SG CYS A 674 2.987 12.898 -5.381 1.00 64.53 S ATOM 0 H CYS A 674 -0.811 11.662 -5.971 1.00 11.55 H new ATOM 0 HA CYS A 674 0.946 13.805 -6.889 1.00 52.31 H new ATOM 0 HB2 CYS A 674 1.185 11.323 -5.447 1.00 1.53 H new ATOM 0 HB3 CYS A 674 2.180 11.219 -6.885 1.00 1.53 H new ATOM 0 HG CYS A 674 3.238 12.394 -4.209 1.00 64.53 H new ATOM 1221 N LEU A 675 0.025 11.251 -8.755 1.00 75.34 N ATOM 1222 CA LEU A 675 -0.042 10.764 -10.129 1.00 34.43 C ATOM 1223 C LEU A 675 -0.838 11.723 -11.009 1.00 25.42 C ATOM 1224 O LEU A 675 -0.603 11.815 -12.214 1.00 23.02 O ATOM 1225 CB LEU A 675 -0.678 9.372 -10.167 1.00 4.43 C ATOM 1226 CG LEU A 675 -0.630 8.649 -11.513 1.00 45.24 C ATOM 1227 CD1 LEU A 675 -1.721 9.168 -12.437 1.00 2.32 C ATOM 1228 CD2 LEU A 675 0.739 8.812 -12.157 1.00 62.23 C ATOM 0 H LEU A 675 -0.475 10.674 -8.078 1.00 75.34 H new ATOM 0 HA LEU A 675 0.975 10.704 -10.517 1.00 34.43 H new ATOM 0 HB2 LEU A 675 -0.182 8.748 -9.424 1.00 4.43 H new ATOM 0 HB3 LEU A 675 -1.721 9.462 -9.863 1.00 4.43 H new ATOM 0 HG LEU A 675 -0.804 7.587 -11.340 1.00 45.24 H new ATOM 0 HD11 LEU A 675 -1.671 8.642 -13.390 1.00 2.32 H new ATOM 0 HD12 LEU A 675 -2.696 8.999 -11.980 1.00 2.32 H new ATOM 0 HD13 LEU A 675 -1.579 10.236 -12.604 1.00 2.32 H new ATOM 0 HD21 LEU A 675 0.755 8.291 -13.114 1.00 62.23 H new ATOM 0 HD22 LEU A 675 0.942 9.871 -12.317 1.00 62.23 H new ATOM 0 HD23 LEU A 675 1.502 8.391 -11.502 1.00 62.23 H new ATOM 1240 N ARG A 676 -1.776 12.437 -10.398 1.00 15.11 N ATOM 1241 CA ARG A 676 -2.606 13.391 -11.125 1.00 63.23 C ATOM 1242 C ARG A 676 -3.306 12.716 -12.301 1.00 15.20 C ATOM 1243 O ARG A 676 -3.056 13.047 -13.460 1.00 72.20 O ATOM 1244 CB ARG A 676 -1.755 14.560 -11.627 1.00 22.51 C ATOM 1245 CG ARG A 676 -1.566 15.661 -10.597 1.00 43.22 C ATOM 1246 CD ARG A 676 -1.742 17.039 -11.216 1.00 61.41 C ATOM 1247 NE ARG A 676 -0.486 17.567 -11.743 1.00 61.52 N ATOM 1248 CZ ARG A 676 0.535 17.935 -10.977 1.00 40.32 C ATOM 1249 NH1 ARG A 676 0.449 17.834 -9.658 1.00 10.42 N ATOM 1250 NH2 ARG A 676 1.645 18.407 -11.531 1.00 62.20 N ATOM 0 H ARG A 676 -1.981 12.374 -9.401 1.00 15.11 H new ATOM 0 HA ARG A 676 -3.365 13.770 -10.441 1.00 63.23 H new ATOM 0 HB2 ARG A 676 -0.777 14.184 -11.928 1.00 22.51 H new ATOM 0 HB3 ARG A 676 -2.222 14.983 -12.517 1.00 22.51 H new ATOM 0 HG2 ARG A 676 -2.284 15.530 -9.787 1.00 43.22 H new ATOM 0 HG3 ARG A 676 -0.572 15.583 -10.157 1.00 43.22 H new ATOM 0 HD2 ARG A 676 -2.477 16.985 -12.019 1.00 61.41 H new ATOM 0 HD3 ARG A 676 -2.138 17.725 -10.467 1.00 61.41 H new ATOM 0 HE ARG A 676 -0.388 17.658 -12.754 1.00 61.52 H new ATOM 0 HH11 ARG A 676 -0.403 17.473 -9.229 1.00 10.42 H new ATOM 0 HH12 ARG A 676 1.235 18.117 -9.073 1.00 10.42 H new ATOM 0 HH21 ARG A 676 1.714 18.487 -12.545 1.00 62.20 H new ATOM 0 HH22 ARG A 676 2.429 18.689 -10.942 1.00 62.20 H new ATOM 1264 N LYS A 677 -4.185 11.768 -11.994 1.00 23.21 N ATOM 1265 CA LYS A 677 -4.923 11.046 -13.023 1.00 75.33 C ATOM 1266 C LYS A 677 -6.152 11.834 -13.464 1.00 61.33 C ATOM 1267 O LYS A 677 -6.224 12.309 -14.598 1.00 65.02 O ATOM 1268 CB LYS A 677 -5.345 9.668 -12.506 1.00 54.33 C ATOM 1269 CG LYS A 677 -5.664 8.676 -13.611 1.00 23.54 C ATOM 1270 CD LYS A 677 -7.156 8.620 -13.897 1.00 3.40 C ATOM 1271 CE LYS A 677 -7.863 7.637 -12.976 1.00 51.40 C ATOM 1272 NZ LYS A 677 -9.344 7.707 -13.123 1.00 1.41 N ATOM 0 H LYS A 677 -4.404 11.482 -11.040 1.00 23.21 H new ATOM 0 HA LYS A 677 -4.267 10.918 -13.884 1.00 75.33 H new ATOM 0 HB2 LYS A 677 -4.547 9.262 -11.884 1.00 54.33 H new ATOM 0 HB3 LYS A 677 -6.221 9.781 -11.867 1.00 54.33 H new ATOM 0 HG2 LYS A 677 -5.129 8.956 -14.518 1.00 23.54 H new ATOM 0 HG3 LYS A 677 -5.310 7.685 -13.325 1.00 23.54 H new ATOM 0 HD2 LYS A 677 -7.589 9.613 -13.773 1.00 3.40 H new ATOM 0 HD3 LYS A 677 -7.318 8.329 -14.935 1.00 3.40 H new ATOM 0 HE2 LYS A 677 -7.524 6.625 -13.196 1.00 51.40 H new ATOM 0 HE3 LYS A 677 -7.590 7.847 -11.942 1.00 51.40 H new ATOM 0 HZ1 LYS A 677 -9.790 7.022 -12.479 1.00 1.41 H new ATOM 0 HZ2 LYS A 677 -9.671 8.666 -12.889 1.00 1.41 H new ATOM 0 HZ3 LYS A 677 -9.607 7.481 -14.104 1.00 1.41 H new ATOM 1286 N LYS A 678 -7.118 11.968 -12.562 1.00 12.52 N ATOM 1287 CA LYS A 678 -8.343 12.702 -12.856 1.00 75.41 C ATOM 1288 C LYS A 678 -9.089 12.068 -14.027 1.00 30.11 C ATOM 1289 O LYS A 678 -9.769 11.061 -13.833 1.00 64.43 O ATOM 1290 CB LYS A 678 -8.025 14.165 -13.174 1.00 21.43 C ATOM 1291 CG LYS A 678 -8.938 15.152 -12.469 1.00 42.14 C ATOM 1292 CD LYS A 678 -10.139 15.511 -13.328 1.00 44.02 C ATOM 1293 CE LYS A 678 -11.012 16.558 -12.655 1.00 11.40 C ATOM 1294 NZ LYS A 678 -12.460 16.234 -12.775 1.00 53.40 N ATOM 0 H LYS A 678 -7.076 11.578 -11.621 1.00 12.52 H new ATOM 0 HA LYS A 678 -8.981 12.660 -11.973 1.00 75.41 H new ATOM 0 HB2 LYS A 678 -6.993 14.373 -12.893 1.00 21.43 H new ATOM 0 HB3 LYS A 678 -8.100 14.319 -14.251 1.00 21.43 H new ATOM 0 HG2 LYS A 678 -9.279 14.725 -11.526 1.00 42.14 H new ATOM 0 HG3 LYS A 678 -8.380 16.056 -12.226 1.00 42.14 H new ATOM 0 HD2 LYS A 678 -9.798 15.886 -14.293 1.00 44.02 H new ATOM 0 HD3 LYS A 678 -10.729 14.615 -13.524 1.00 44.02 H new ATOM 0 HE2 LYS A 678 -10.743 16.632 -11.601 1.00 11.40 H new ATOM 0 HE3 LYS A 678 -10.820 17.533 -13.103 1.00 11.40 H new ATOM 0 HZ1 LYS A 678 -13.021 16.972 -12.303 1.00 53.40 H new ATOM 0 HZ2 LYS A 678 -12.723 16.188 -13.780 1.00 53.40 H new ATOM 0 HZ3 LYS A 678 -12.649 15.315 -12.325 1.00 53.40 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.380 4.143 -4.010 1.00 54.31 N ATOM 1310 CA THR B 389 15.013 4.471 -3.621 1.00 44.10 C ATOM 1311 C THR B 389 14.313 3.265 -3.006 1.00 61.23 C ATOM 1312 O THR B 389 14.920 2.209 -2.823 1.00 62.14 O ATOM 1313 CB THR B 389 14.191 4.970 -4.823 1.00 4.41 C ATOM 1314 OG1 THR B 389 14.970 4.881 -6.022 1.00 4.55 O ATOM 1315 CG2 THR B 389 13.740 6.408 -4.611 1.00 23.00 C ATOM 0 HA THR B 389 15.078 5.268 -2.880 1.00 44.10 H new ATOM 0 HB THR B 389 13.308 4.339 -4.917 1.00 4.41 H new ATOM 0 HG1 THR B 389 15.864 4.543 -5.807 1.00 4.55 H new ATOM 0 HG21 THR B 389 13.161 6.739 -5.473 1.00 23.00 H new ATOM 0 HG22 THR B 389 13.122 6.467 -3.715 1.00 23.00 H new ATOM 0 HG23 THR B 389 14.613 7.050 -4.493 1.00 23.00 H new ATOM 1323 N TRP B 390 13.035 3.427 -2.689 1.00 15.42 N ATOM 1324 CA TRP B 390 12.251 2.351 -2.095 1.00 72.50 C ATOM 1325 C TRP B 390 11.936 1.273 -3.126 1.00 70.04 C ATOM 1326 O TRP B 390 11.898 1.543 -4.327 1.00 45.31 O ATOM 1327 CB TRP B 390 10.953 2.902 -1.503 1.00 2.13 C ATOM 1328 CG TRP B 390 11.060 3.241 -0.047 1.00 62.00 C ATOM 1329 CD1 TRP B 390 11.730 4.298 0.502 1.00 30.30 C ATOM 1330 CD2 TRP B 390 10.482 2.518 1.046 1.00 43.41 C ATOM 1331 NE1 TRP B 390 11.603 4.275 1.869 1.00 2.12 N ATOM 1332 CE2 TRP B 390 10.842 3.195 2.228 1.00 33.32 C ATOM 1333 CE3 TRP B 390 9.694 1.368 1.141 1.00 41.23 C ATOM 1334 CZ2 TRP B 390 10.440 2.756 3.487 1.00 63.10 C ATOM 1335 CZ3 TRP B 390 9.298 0.934 2.391 1.00 74.03 C ATOM 1336 CH2 TRP B 390 9.670 1.627 3.550 1.00 15.42 C ATOM 0 H TRP B 390 12.518 4.294 -2.833 1.00 15.42 H new ATOM 0 HA TRP B 390 12.844 1.903 -1.297 1.00 72.50 H new ATOM 0 HB2 TRP B 390 10.660 3.795 -2.056 1.00 2.13 H new ATOM 0 HB3 TRP B 390 10.159 2.168 -1.640 1.00 2.13 H new ATOM 0 HD1 TRP B 390 12.278 5.042 -0.057 1.00 30.30 H new ATOM 0 HE1 TRP B 390 12.010 4.953 2.513 1.00 2.12 H new ATOM 0 HE3 TRP B 390 9.400 0.828 0.253 1.00 41.23 H new ATOM 0 HZ2 TRP B 390 10.726 3.288 4.382 1.00 63.10 H new ATOM 0 HZ3 TRP B 390 8.691 0.045 2.476 1.00 74.03 H new ATOM 0 HH2 TRP B 390 9.342 1.263 4.513 1.00 15.42 H new ATOM 1347 N ARG B 391 11.710 0.053 -2.652 1.00 21.03 N ATOM 1348 CA ARG B 391 11.400 -1.065 -3.534 1.00 53.11 C ATOM 1349 C ARG B 391 10.177 -1.829 -3.034 1.00 61.32 C ATOM 1350 O ARG B 391 9.659 -1.554 -1.952 1.00 1.21 O ATOM 1351 CB ARG B 391 12.599 -2.010 -3.636 1.00 55.14 C ATOM 1352 CG ARG B 391 13.071 -2.542 -2.293 1.00 52.44 C ATOM 1353 CD ARG B 391 14.580 -2.734 -2.270 1.00 54.05 C ATOM 1354 NE ARG B 391 15.294 -1.488 -2.530 1.00 43.11 N ATOM 1355 CZ ARG B 391 16.618 -1.401 -2.604 1.00 21.13 C ATOM 1356 NH1 ARG B 391 17.367 -2.482 -2.438 1.00 35.44 N ATOM 1357 NH2 ARG B 391 17.195 -0.231 -2.844 1.00 12.25 N ATOM 0 H ARG B 391 11.736 -0.187 -1.661 1.00 21.03 H new ATOM 0 HA ARG B 391 11.177 -0.664 -4.523 1.00 53.11 H new ATOM 0 HB2 ARG B 391 12.335 -2.851 -4.278 1.00 55.14 H new ATOM 0 HB3 ARG B 391 13.423 -1.486 -4.120 1.00 55.14 H new ATOM 0 HG2 ARG B 391 12.779 -1.850 -1.503 1.00 52.44 H new ATOM 0 HG3 ARG B 391 12.579 -3.492 -2.083 1.00 52.44 H new ATOM 0 HD2 ARG B 391 14.880 -3.128 -1.299 1.00 54.05 H new ATOM 0 HD3 ARG B 391 14.862 -3.476 -3.017 1.00 54.05 H new ATOM 0 HE ARG B 391 14.747 -0.637 -2.662 1.00 43.11 H new ATOM 0 HH11 ARG B 391 16.927 -3.384 -2.253 1.00 35.44 H new ATOM 0 HH12 ARG B 391 18.383 -2.412 -2.495 1.00 35.44 H new ATOM 0 HH21 ARG B 391 16.622 0.603 -2.972 1.00 12.25 H new ATOM 0 HH22 ARG B 391 18.211 -0.166 -2.901 1.00 12.25 H new ATOM 1371 N VAL B 392 9.720 -2.791 -3.830 1.00 74.05 N ATOM 1372 CA VAL B 392 8.559 -3.595 -3.469 1.00 13.11 C ATOM 1373 C VAL B 392 8.646 -4.991 -4.077 1.00 23.04 C ATOM 1374 O VAL B 392 9.139 -5.163 -5.191 1.00 45.41 O ATOM 1375 CB VAL B 392 7.249 -2.928 -3.927 1.00 55.24 C ATOM 1376 CG1 VAL B 392 6.054 -3.805 -3.586 1.00 63.42 C ATOM 1377 CG2 VAL B 392 7.105 -1.550 -3.300 1.00 13.13 C ATOM 0 H VAL B 392 10.137 -3.032 -4.729 1.00 74.05 H new ATOM 0 HA VAL B 392 8.556 -3.675 -2.382 1.00 13.11 H new ATOM 0 HB VAL B 392 7.283 -2.808 -5.010 1.00 55.24 H new ATOM 0 HG11 VAL B 392 5.138 -3.316 -3.918 1.00 63.42 H new ATOM 0 HG12 VAL B 392 6.154 -4.767 -4.088 1.00 63.42 H new ATOM 0 HG13 VAL B 392 6.013 -3.960 -2.508 1.00 63.42 H new ATOM 0 HG21 VAL B 392 6.174 -1.093 -3.635 1.00 13.13 H new ATOM 0 HG22 VAL B 392 7.093 -1.644 -2.214 1.00 13.13 H new ATOM 0 HG23 VAL B 392 7.945 -0.924 -3.601 1.00 13.13 H new ATOM 1387 N GLN B 393 8.163 -5.984 -3.337 1.00 43.11 N ATOM 1388 CA GLN B 393 8.188 -7.365 -3.804 1.00 11.20 C ATOM 1389 C GLN B 393 6.874 -8.070 -3.485 1.00 32.34 C ATOM 1390 O GLN B 393 6.583 -8.366 -2.326 1.00 72.13 O ATOM 1391 CB GLN B 393 9.354 -8.122 -3.167 1.00 2.54 C ATOM 1392 CG GLN B 393 10.710 -7.488 -3.436 1.00 14.41 C ATOM 1393 CD GLN B 393 11.694 -7.713 -2.305 1.00 11.23 C ATOM 1394 OE1 GLN B 393 12.575 -8.568 -2.394 1.00 42.21 O ATOM 1395 NE2 GLN B 393 11.549 -6.943 -1.232 1.00 61.42 N ATOM 0 H GLN B 393 7.750 -5.858 -2.413 1.00 43.11 H new ATOM 0 HA GLN B 393 8.321 -7.353 -4.886 1.00 11.20 H new ATOM 0 HB2 GLN B 393 9.195 -8.178 -2.090 1.00 2.54 H new ATOM 0 HB3 GLN B 393 9.360 -9.146 -3.542 1.00 2.54 H new ATOM 0 HG2 GLN B 393 11.122 -7.898 -4.358 1.00 14.41 H new ATOM 0 HG3 GLN B 393 10.581 -6.417 -3.593 1.00 14.41 H new ATOM 0 HE21 GLN B 393 10.804 -6.247 -1.201 1.00 61.42 H new ATOM 0 HE22 GLN B 393 12.182 -7.048 -0.439 1.00 61.42 H new ATOM 1404 N ARG B 394 6.084 -8.336 -4.521 1.00 32.23 N ATOM 1405 CA ARG B 394 4.799 -9.005 -4.350 1.00 64.20 C ATOM 1406 C ARG B 394 4.989 -10.407 -3.777 1.00 70.14 C ATOM 1407 O ARG B 394 6.108 -10.916 -3.713 1.00 53.14 O ATOM 1408 CB ARG B 394 4.060 -9.084 -5.686 1.00 51.12 C ATOM 1409 CG ARG B 394 3.951 -7.748 -6.402 1.00 14.21 C ATOM 1410 CD ARG B 394 4.873 -7.684 -7.608 1.00 43.21 C ATOM 1411 NE ARG B 394 4.411 -8.541 -8.697 1.00 45.10 N ATOM 1412 CZ ARG B 394 5.130 -8.801 -9.784 1.00 0.34 C ATOM 1413 NH1 ARG B 394 6.337 -8.274 -9.926 1.00 2.53 N ATOM 1414 NH2 ARG B 394 4.640 -9.591 -10.731 1.00 4.04 N ATOM 0 H ARG B 394 6.311 -8.099 -5.487 1.00 32.23 H new ATOM 0 HA ARG B 394 4.204 -8.422 -3.648 1.00 64.20 H new ATOM 0 HB2 ARG B 394 4.574 -9.793 -6.335 1.00 51.12 H new ATOM 0 HB3 ARG B 394 3.058 -9.477 -5.515 1.00 51.12 H new ATOM 0 HG2 ARG B 394 2.921 -7.589 -6.722 1.00 14.21 H new ATOM 0 HG3 ARG B 394 4.199 -6.943 -5.711 1.00 14.21 H new ATOM 0 HD2 ARG B 394 4.938 -6.654 -7.960 1.00 43.21 H new ATOM 0 HD3 ARG B 394 5.878 -7.984 -7.312 1.00 43.21 H new ATOM 0 HE ARG B 394 3.486 -8.963 -8.619 1.00 45.10 H new ATOM 0 HH11 ARG B 394 6.717 -7.667 -9.200 1.00 2.53 H new ATOM 0 HH12 ARG B 394 6.886 -8.475 -10.761 1.00 2.53 H new ATOM 0 HH21 ARG B 394 3.711 -9.999 -10.625 1.00 4.04 H new ATOM 0 HH22 ARG B 394 5.192 -9.790 -11.565 1.00 4.04 H new ATOM 1428 N SER B 395 3.888 -11.024 -3.361 1.00 60.55 N ATOM 1429 CA SER B 395 3.933 -12.365 -2.790 1.00 62.32 C ATOM 1430 C SER B 395 2.822 -13.239 -3.367 1.00 62.33 C ATOM 1431 O SER B 395 2.182 -12.876 -4.352 1.00 44.24 O ATOM 1432 CB SER B 395 3.806 -12.299 -1.267 1.00 45.24 C ATOM 1433 OG SER B 395 4.381 -13.442 -0.658 1.00 12.55 O ATOM 0 H SER B 395 2.954 -10.617 -3.409 1.00 60.55 H new ATOM 0 HA SER B 395 4.894 -12.811 -3.048 1.00 62.32 H new ATOM 0 HB2 SER B 395 4.298 -11.399 -0.896 1.00 45.24 H new ATOM 0 HB3 SER B 395 2.755 -12.225 -0.989 1.00 45.24 H new ATOM 0 HG SER B 395 4.289 -13.375 0.315 1.00 12.55 H new ATOM 1439 N GLN B 396 2.602 -14.393 -2.744 1.00 53.52 N ATOM 1440 CA GLN B 396 1.570 -15.318 -3.195 1.00 62.32 C ATOM 1441 C GLN B 396 0.178 -14.760 -2.917 1.00 5.24 C ATOM 1442 O GLN B 396 -0.780 -15.073 -3.622 1.00 64.00 O ATOM 1443 CB GLN B 396 1.736 -16.675 -2.506 1.00 53.43 C ATOM 1444 CG GLN B 396 1.449 -16.638 -1.015 1.00 5.13 C ATOM 1445 CD GLN B 396 1.531 -18.009 -0.371 1.00 15.21 C ATOM 1446 OE1 GLN B 396 1.447 -19.032 -1.051 1.00 74.02 O ATOM 1447 NE2 GLN B 396 1.696 -18.036 0.946 1.00 13.34 N ATOM 0 H GLN B 396 3.124 -14.709 -1.927 1.00 53.52 H new ATOM 0 HA GLN B 396 1.680 -15.448 -4.272 1.00 62.32 H new ATOM 0 HB2 GLN B 396 1.070 -17.397 -2.978 1.00 53.43 H new ATOM 0 HB3 GLN B 396 2.754 -17.031 -2.663 1.00 53.43 H new ATOM 0 HG2 GLN B 396 2.159 -15.969 -0.529 1.00 5.13 H new ATOM 0 HG3 GLN B 396 0.455 -16.222 -0.850 1.00 5.13 H new ATOM 0 HE21 GLN B 396 1.761 -17.163 1.470 1.00 13.34 H new ATOM 0 HE22 GLN B 396 1.758 -18.930 1.434 1.00 13.34 H new ATOM 1456 N ASN B 397 0.074 -13.932 -1.882 1.00 24.13 N ATOM 1457 CA ASN B 397 -1.201 -13.331 -1.509 1.00 41.22 C ATOM 1458 C ASN B 397 -1.912 -12.760 -2.733 1.00 11.01 C ATOM 1459 O ASN B 397 -1.317 -12.569 -3.793 1.00 44.11 O ATOM 1460 CB ASN B 397 -0.985 -12.228 -0.471 1.00 0.10 C ATOM 1461 CG ASN B 397 -1.494 -12.620 0.903 1.00 60.41 C ATOM 1462 OD1 ASN B 397 -2.343 -13.502 1.034 1.00 4.25 O ATOM 1463 ND2 ASN B 397 -0.977 -11.964 1.935 1.00 43.12 N ATOM 0 H ASN B 397 0.857 -13.662 -1.287 1.00 24.13 H new ATOM 0 HA ASN B 397 -1.828 -14.110 -1.076 1.00 41.22 H new ATOM 0 HB2 ASN B 397 0.078 -11.994 -0.409 1.00 0.10 H new ATOM 0 HB3 ASN B 397 -1.492 -11.320 -0.798 1.00 0.10 H new ATOM 0 HD21 ASN B 397 -1.281 -12.184 2.883 1.00 43.12 H new ATOM 0 HD22 ASN B 397 -0.275 -11.240 1.779 1.00 43.12 H new ATOM 1470 N PRO B 398 -3.215 -12.481 -2.583 1.00 43.21 N ATOM 1471 CA PRO B 398 -4.035 -11.927 -3.665 1.00 14.52 C ATOM 1472 C PRO B 398 -3.663 -10.484 -3.994 1.00 31.32 C ATOM 1473 O PRO B 398 -3.992 -9.978 -5.067 1.00 10.54 O ATOM 1474 CB PRO B 398 -5.457 -11.998 -3.104 1.00 10.22 C ATOM 1475 CG PRO B 398 -5.283 -11.970 -1.624 1.00 40.34 C ATOM 1476 CD PRO B 398 -3.989 -12.684 -1.347 1.00 1.34 C ATOM 0 HA PRO B 398 -3.902 -12.474 -4.598 1.00 14.52 H new ATOM 0 HB2 PRO B 398 -6.060 -11.158 -3.448 1.00 10.22 H new ATOM 0 HB3 PRO B 398 -5.964 -12.907 -3.426 1.00 10.22 H new ATOM 0 HG2 PRO B 398 -5.251 -10.945 -1.254 1.00 40.34 H new ATOM 0 HG3 PRO B 398 -6.116 -12.463 -1.123 1.00 40.34 H new ATOM 0 HD2 PRO B 398 -3.478 -12.267 -0.480 1.00 1.34 H new ATOM 0 HD3 PRO B 398 -4.150 -13.743 -1.143 1.00 1.34 H new ATOM 1484 N LEU B 399 -2.976 -9.829 -3.065 1.00 20.21 N ATOM 1485 CA LEU B 399 -2.558 -8.445 -3.257 1.00 34.05 C ATOM 1486 C LEU B 399 -1.687 -7.973 -2.096 1.00 74.01 C ATOM 1487 O LEU B 399 -2.021 -7.008 -1.408 1.00 34.53 O ATOM 1488 CB LEU B 399 -3.782 -7.537 -3.393 1.00 60.43 C ATOM 1489 CG LEU B 399 -3.646 -6.372 -4.375 1.00 33.13 C ATOM 1490 CD1 LEU B 399 -2.352 -5.615 -4.128 1.00 44.54 C ATOM 1491 CD2 LEU B 399 -3.709 -6.873 -5.810 1.00 24.41 C ATOM 0 H LEU B 399 -2.697 -10.234 -2.171 1.00 20.21 H new ATOM 0 HA LEU B 399 -1.970 -8.392 -4.173 1.00 34.05 H new ATOM 0 HB2 LEU B 399 -4.631 -8.148 -3.700 1.00 60.43 H new ATOM 0 HB3 LEU B 399 -4.020 -7.132 -2.410 1.00 60.43 H new ATOM 0 HG LEU B 399 -4.479 -5.688 -4.215 1.00 33.13 H new ATOM 0 HD11 LEU B 399 -2.272 -4.790 -4.836 1.00 44.54 H new ATOM 0 HD12 LEU B 399 -2.349 -5.222 -3.111 1.00 44.54 H new ATOM 0 HD13 LEU B 399 -1.505 -6.289 -4.260 1.00 44.54 H new ATOM 0 HD21 LEU B 399 -3.611 -6.030 -6.494 1.00 24.41 H new ATOM 0 HD22 LEU B 399 -2.897 -7.579 -5.985 1.00 24.41 H new ATOM 0 HD23 LEU B 399 -4.664 -7.369 -5.981 1.00 24.41 H new ATOM 1503 N LYS B 400 -0.569 -8.658 -1.887 1.00 22.24 N ATOM 1504 CA LYS B 400 0.353 -8.308 -0.812 1.00 52.34 C ATOM 1505 C LYS B 400 1.674 -7.795 -1.374 1.00 44.23 C ATOM 1506 O LYS B 400 2.422 -8.541 -2.006 1.00 25.31 O ATOM 1507 CB LYS B 400 0.606 -9.521 0.087 1.00 73.44 C ATOM 1508 CG LYS B 400 1.506 -9.222 1.273 1.00 61.03 C ATOM 1509 CD LYS B 400 2.579 -10.285 1.440 1.00 33.15 C ATOM 1510 CE LYS B 400 2.122 -11.394 2.377 1.00 44.23 C ATOM 1511 NZ LYS B 400 3.268 -12.024 3.090 1.00 60.43 N ATOM 0 H LYS B 400 -0.278 -9.459 -2.448 1.00 22.24 H new ATOM 0 HA LYS B 400 -0.103 -7.514 -0.221 1.00 52.34 H new ATOM 0 HB2 LYS B 400 -0.349 -9.897 0.452 1.00 73.44 H new ATOM 0 HB3 LYS B 400 1.055 -10.316 -0.508 1.00 73.44 H new ATOM 0 HG2 LYS B 400 1.976 -8.248 1.138 1.00 61.03 H new ATOM 0 HG3 LYS B 400 0.906 -9.164 2.181 1.00 61.03 H new ATOM 0 HD2 LYS B 400 2.828 -10.708 0.467 1.00 33.15 H new ATOM 0 HD3 LYS B 400 3.488 -9.828 1.831 1.00 33.15 H new ATOM 0 HE2 LYS B 400 1.420 -10.988 3.105 1.00 44.23 H new ATOM 0 HE3 LYS B 400 1.587 -12.154 1.807 1.00 44.23 H new ATOM 0 HZ1 LYS B 400 2.914 -12.763 3.731 1.00 60.43 H new ATOM 0 HZ2 LYS B 400 3.917 -12.448 2.397 1.00 60.43 H new ATOM 0 HZ3 LYS B 400 3.774 -11.301 3.641 1.00 60.43 H new ATOM 1525 N ILE B 401 1.955 -6.518 -1.140 1.00 43.20 N ATOM 1526 CA ILE B 401 3.188 -5.906 -1.621 1.00 61.23 C ATOM 1527 C ILE B 401 4.089 -5.496 -0.461 1.00 72.32 C ATOM 1528 O ILE B 401 3.747 -4.607 0.319 1.00 13.20 O ATOM 1529 CB ILE B 401 2.900 -4.671 -2.495 1.00 12.22 C ATOM 1530 CG1 ILE B 401 1.703 -3.896 -1.942 1.00 32.55 C ATOM 1531 CG2 ILE B 401 2.648 -5.088 -3.936 1.00 61.04 C ATOM 1532 CD1 ILE B 401 1.807 -2.400 -2.141 1.00 15.13 C ATOM 0 H ILE B 401 1.346 -5.886 -0.620 1.00 43.20 H new ATOM 0 HA ILE B 401 3.698 -6.657 -2.224 1.00 61.23 H new ATOM 0 HB ILE B 401 3.773 -4.018 -2.474 1.00 12.22 H new ATOM 0 HG12 ILE B 401 0.794 -4.256 -2.423 1.00 32.55 H new ATOM 0 HG13 ILE B 401 1.605 -4.107 -0.877 1.00 32.55 H new ATOM 0 HG21 ILE B 401 2.446 -4.204 -4.541 1.00 61.04 H new ATOM 0 HG22 ILE B 401 3.527 -5.601 -4.325 1.00 61.04 H new ATOM 0 HG23 ILE B 401 1.790 -5.759 -3.976 1.00 61.04 H new ATOM 0 HD11 ILE B 401 0.924 -1.915 -1.725 1.00 15.13 H new ATOM 0 HD12 ILE B 401 2.698 -2.027 -1.636 1.00 15.13 H new ATOM 0 HD13 ILE B 401 1.874 -2.178 -3.206 1.00 15.13 H new ATOM 1544 N ARG B 402 5.241 -6.149 -0.354 1.00 54.10 N ATOM 1545 CA ARG B 402 6.191 -5.852 0.711 1.00 5.54 C ATOM 1546 C ARG B 402 7.079 -4.669 0.334 1.00 54.32 C ATOM 1547 O ARG B 402 8.001 -4.804 -0.472 1.00 13.42 O ATOM 1548 CB ARG B 402 7.056 -7.078 1.008 1.00 45.20 C ATOM 1549 CG ARG B 402 8.105 -6.837 2.082 1.00 61.35 C ATOM 1550 CD ARG B 402 7.763 -7.572 3.369 1.00 43.00 C ATOM 1551 NE ARG B 402 8.633 -8.725 3.587 1.00 33.12 N ATOM 1552 CZ ARG B 402 8.534 -9.531 4.639 1.00 3.24 C ATOM 1553 NH1 ARG B 402 7.608 -9.310 5.563 1.00 24.03 N ATOM 1554 NH2 ARG B 402 9.361 -10.560 4.768 1.00 70.22 N ATOM 0 H ARG B 402 5.539 -6.887 -0.992 1.00 54.10 H new ATOM 0 HA ARG B 402 5.625 -5.589 1.605 1.00 5.54 H new ATOM 0 HB2 ARG B 402 6.412 -7.900 1.319 1.00 45.20 H new ATOM 0 HB3 ARG B 402 7.553 -7.392 0.090 1.00 45.20 H new ATOM 0 HG2 ARG B 402 9.079 -7.167 1.721 1.00 61.35 H new ATOM 0 HG3 ARG B 402 8.184 -5.768 2.282 1.00 61.35 H new ATOM 0 HD2 ARG B 402 7.851 -6.887 4.212 1.00 43.00 H new ATOM 0 HD3 ARG B 402 6.725 -7.902 3.333 1.00 43.00 H new ATOM 0 HE ARG B 402 9.355 -8.922 2.894 1.00 33.12 H new ATOM 0 HH11 ARG B 402 6.970 -8.520 5.467 1.00 24.03 H new ATOM 0 HH12 ARG B 402 7.534 -9.930 6.369 1.00 24.03 H new ATOM 0 HH21 ARG B 402 10.074 -10.733 4.059 1.00 70.22 H new ATOM 0 HH22 ARG B 402 9.284 -11.178 5.576 1.00 70.22 H new ATOM 1568 N LEU B 403 6.793 -3.512 0.919 1.00 43.30 N ATOM 1569 CA LEU B 403 7.565 -2.304 0.644 1.00 3.15 C ATOM 1570 C LEU B 403 8.778 -2.212 1.564 1.00 0.34 C ATOM 1571 O LEU B 403 8.682 -2.472 2.765 1.00 62.12 O ATOM 1572 CB LEU B 403 6.686 -1.064 0.814 1.00 24.01 C ATOM 1573 CG LEU B 403 5.773 -0.723 -0.364 1.00 1.40 C ATOM 1574 CD1 LEU B 403 5.115 -1.980 -0.911 1.00 62.02 C ATOM 1575 CD2 LEU B 403 4.720 0.293 0.054 1.00 11.15 C ATOM 0 H LEU B 403 6.033 -3.384 1.587 1.00 43.30 H new ATOM 0 HA LEU B 403 7.917 -2.354 -0.386 1.00 3.15 H new ATOM 0 HB2 LEU B 403 6.067 -1.201 1.700 1.00 24.01 H new ATOM 0 HB3 LEU B 403 7.333 -0.208 1.006 1.00 24.01 H new ATOM 0 HG LEU B 403 6.381 -0.283 -1.154 1.00 1.40 H new ATOM 0 HD11 LEU B 403 4.469 -1.717 -1.749 1.00 62.02 H new ATOM 0 HD12 LEU B 403 5.883 -2.675 -1.249 1.00 62.02 H new ATOM 0 HD13 LEU B 403 4.520 -2.450 -0.128 1.00 62.02 H new ATOM 0 HD21 LEU B 403 4.079 0.524 -0.797 1.00 11.15 H new ATOM 0 HD22 LEU B 403 4.116 -0.120 0.862 1.00 11.15 H new ATOM 0 HD23 LEU B 403 5.210 1.204 0.397 1.00 11.15 H new ATOM 1587 N THR B 404 9.919 -1.837 0.996 1.00 2.20 N ATOM 1588 CA THR B 404 11.151 -1.709 1.764 1.00 3.34 C ATOM 1589 C THR B 404 12.024 -0.583 1.221 1.00 61.43 C ATOM 1590 O THR B 404 12.056 -0.337 0.015 1.00 72.41 O ATOM 1591 CB THR B 404 11.959 -3.020 1.754 1.00 1.24 C ATOM 1592 OG1 THR B 404 12.593 -3.195 0.482 1.00 71.00 O ATOM 1593 CG2 THR B 404 11.059 -4.212 2.046 1.00 3.43 C ATOM 0 H THR B 404 10.016 -1.616 0.005 1.00 2.20 H new ATOM 0 HA THR B 404 10.861 -1.478 2.789 1.00 3.34 H new ATOM 0 HB THR B 404 12.719 -2.959 2.533 1.00 1.24 H new ATOM 0 HG1 THR B 404 13.106 -4.030 0.484 1.00 71.00 H new ATOM 0 HG21 THR B 404 11.651 -5.127 2.034 1.00 3.43 H new ATOM 0 HG22 THR B 404 10.600 -4.090 3.027 1.00 3.43 H new ATOM 0 HG23 THR B 404 10.280 -4.274 1.286 1.00 3.43 H new ATOM 1601 N ARG B 405 12.731 0.097 2.117 1.00 21.14 N ATOM 1602 CA ARG B 405 13.605 1.196 1.727 1.00 54.14 C ATOM 1603 C ARG B 405 14.552 0.769 0.611 1.00 71.45 C ATOM 1604 O ARG B 405 14.716 -0.423 0.345 1.00 50.44 O ATOM 1605 CB ARG B 405 14.408 1.690 2.931 1.00 0.10 C ATOM 1606 CG ARG B 405 13.587 2.500 3.921 1.00 14.12 C ATOM 1607 CD ARG B 405 14.419 2.921 5.123 1.00 73.55 C ATOM 1608 NE ARG B 405 15.801 3.215 4.754 1.00 4.04 N ATOM 1609 CZ ARG B 405 16.161 4.266 4.026 1.00 30.32 C ATOM 1610 NH1 ARG B 405 15.244 5.119 3.591 1.00 10.03 N ATOM 1611 NH2 ARG B 405 17.439 4.466 3.733 1.00 23.11 N ATOM 0 H ARG B 405 12.716 -0.094 3.119 1.00 21.14 H new ATOM 0 HA ARG B 405 12.980 2.009 1.358 1.00 54.14 H new ATOM 0 HB2 ARG B 405 14.839 0.832 3.446 1.00 0.10 H new ATOM 0 HB3 ARG B 405 15.239 2.300 2.577 1.00 0.10 H new ATOM 0 HG2 ARG B 405 13.188 3.385 3.426 1.00 14.12 H new ATOM 0 HG3 ARG B 405 12.734 1.910 4.256 1.00 14.12 H new ATOM 0 HD2 ARG B 405 13.971 3.802 5.584 1.00 73.55 H new ATOM 0 HD3 ARG B 405 14.404 2.128 5.870 1.00 73.55 H new ATOM 0 HE ARG B 405 16.531 2.578 5.073 1.00 4.04 H new ATOM 0 HH11 ARG B 405 14.260 4.969 3.815 1.00 10.03 H new ATOM 0 HH12 ARG B 405 15.522 5.926 3.032 1.00 10.03 H new ATOM 0 HH21 ARG B 405 18.147 3.812 4.067 1.00 23.11 H new ATOM 0 HH22 ARG B 405 17.714 5.274 3.174 1.00 23.11 H new TER 1625 ARG B 405