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 148:sc= 0.471 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 CYS SG : rot 160:sc= -1.13 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -121:sc= -0.973 (180deg=-1.53!) 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+ -127:sc= 0.749 (180deg=-0.268) USER MOD Single : A 617 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.5!) USER MOD Single : A 619 SER OG : rot 46:sc= -2.24! USER MOD Single : A 623 ASN : amide:sc= -2.23! C(o=-2.2!,f=-3.9!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 638 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.37) USER MOD Single : A 639 SER OG : rot -78:sc= 1.12 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= -2.69 K(o=-2.7,f=-9.2!) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -3.7 K(o=-3.7,f=-0.2) 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 170:sc= -0.287 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 673 SER OG : rot -63:sc= 0.0143 USER MOD Single : A 674 CYS SG : rot 180:sc= 0 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 -14:sc= 0.765 USER MOD Single : B 393 GLN : amide:sc=-0.00585 X(o=-0.0058,f=0) USER MOD Single : B 395 SER OG : rot -112:sc= 0.188 USER MOD Single : B 396 GLN : amide:sc= -0.771 K(o=-0.77,f=-4.9!) USER MOD Single : B 397 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.1!) USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 404 THR OG1 : rot -130:sc= -1.46 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -18.838 13.744 13.833 1.00 32.22 N ATOM 2 CA GLU A 600 -18.404 14.429 12.621 1.00 14.45 C ATOM 3 C GLU A 600 -17.100 13.834 12.098 1.00 41.12 C ATOM 4 O GLU A 600 -16.027 14.085 12.645 1.00 2.04 O ATOM 5 CB GLU A 600 -18.223 15.924 12.892 1.00 11.21 C ATOM 6 CG GLU A 600 -19.366 16.543 13.678 1.00 1.44 C ATOM 7 CD GLU A 600 -19.628 17.986 13.289 1.00 52.22 C ATOM 8 OE1 GLU A 600 -20.381 18.211 12.318 1.00 34.43 O ATOM 9 OE2 GLU A 600 -19.080 18.890 13.954 1.00 71.22 O ATOM 0 HA GLU A 600 -19.175 14.295 11.862 1.00 14.45 H new ATOM 0 HB2 GLU A 600 -17.293 16.075 13.440 1.00 11.21 H new ATOM 0 HB3 GLU A 600 -18.122 16.447 11.941 1.00 11.21 H new ATOM 0 HG2 GLU A 600 -20.271 15.957 13.518 1.00 1.44 H new ATOM 0 HG3 GLU A 600 -19.139 16.493 14.743 1.00 1.44 H new ATOM 16 N SER A 601 -17.203 13.045 11.034 1.00 61.44 N ATOM 17 CA SER A 601 -16.033 12.410 10.437 1.00 21.11 C ATOM 18 C SER A 601 -15.859 12.848 8.986 1.00 25.42 C ATOM 19 O SER A 601 -14.927 13.582 8.657 1.00 32.20 O ATOM 20 CB SER A 601 -16.160 10.887 10.510 1.00 15.10 C ATOM 21 OG SER A 601 -15.367 10.359 11.559 1.00 42.32 O ATOM 0 H SER A 601 -18.084 12.830 10.567 1.00 61.44 H new ATOM 0 HA SER A 601 -15.154 12.721 11.001 1.00 21.11 H new ATOM 0 HB2 SER A 601 -17.203 10.613 10.665 1.00 15.10 H new ATOM 0 HB3 SER A 601 -15.853 10.447 9.561 1.00 15.10 H new ATOM 0 HG SER A 601 -15.797 9.557 11.922 1.00 42.32 H new ATOM 27 N GLU A 602 -16.761 12.391 8.124 1.00 41.43 N ATOM 28 CA GLU A 602 -16.706 12.735 6.707 1.00 31.13 C ATOM 29 C GLU A 602 -15.420 12.215 6.071 1.00 3.33 C ATOM 30 O GLU A 602 -14.797 12.900 5.260 1.00 23.34 O ATOM 31 CB GLU A 602 -16.802 14.251 6.524 1.00 11.22 C ATOM 32 CG GLU A 602 -17.663 14.668 5.344 1.00 74.45 C ATOM 33 CD GLU A 602 -19.147 14.517 5.623 1.00 42.43 C ATOM 34 OE1 GLU A 602 -19.635 13.368 5.632 1.00 63.34 O ATOM 35 OE2 GLU A 602 -19.819 15.548 5.830 1.00 13.24 O ATOM 0 H GLU A 602 -17.538 11.782 8.381 1.00 41.43 H new ATOM 0 HA GLU A 602 -17.553 12.262 6.211 1.00 31.13 H new ATOM 0 HB2 GLU A 602 -17.208 14.693 7.434 1.00 11.22 H new ATOM 0 HB3 GLU A 602 -15.799 14.657 6.393 1.00 11.22 H new ATOM 0 HG2 GLU A 602 -17.448 15.706 5.091 1.00 74.45 H new ATOM 0 HG3 GLU A 602 -17.397 14.067 4.475 1.00 74.45 H new ATOM 42 N GLU A 603 -15.029 11.001 6.446 1.00 12.34 N ATOM 43 CA GLU A 603 -13.818 10.391 5.913 1.00 24.44 C ATOM 44 C GLU A 603 -13.683 8.945 6.386 1.00 54.32 C ATOM 45 O GLU A 603 -13.554 8.028 5.576 1.00 65.00 O ATOM 46 CB GLU A 603 -12.586 11.194 6.338 1.00 64.44 C ATOM 47 CG GLU A 603 -11.859 11.853 5.178 1.00 41.23 C ATOM 48 CD GLU A 603 -10.409 11.421 5.077 1.00 75.51 C ATOM 49 OE1 GLU A 603 -10.140 10.212 5.231 1.00 63.51 O ATOM 50 OE2 GLU A 603 -9.545 12.291 4.843 1.00 13.11 O ATOM 0 H GLU A 603 -15.534 10.421 7.117 1.00 12.34 H new ATOM 0 HA GLU A 603 -13.889 10.395 4.825 1.00 24.44 H new ATOM 0 HB2 GLU A 603 -12.891 11.962 7.048 1.00 64.44 H new ATOM 0 HB3 GLU A 603 -11.895 10.533 6.861 1.00 64.44 H new ATOM 0 HG2 GLU A 603 -12.372 11.610 4.248 1.00 41.23 H new ATOM 0 HG3 GLU A 603 -11.904 12.936 5.294 1.00 41.23 H new ATOM 57 N GLU A 604 -13.715 8.753 7.700 1.00 65.11 N ATOM 58 CA GLU A 604 -13.596 7.420 8.280 1.00 3.33 C ATOM 59 C GLU A 604 -14.966 6.766 8.424 1.00 33.55 C ATOM 60 O GLU A 604 -15.108 5.554 8.255 1.00 22.01 O ATOM 61 CB GLU A 604 -12.906 7.493 9.644 1.00 12.20 C ATOM 62 CG GLU A 604 -11.900 8.626 9.758 1.00 42.12 C ATOM 63 CD GLU A 604 -10.730 8.278 10.657 1.00 64.13 C ATOM 64 OE1 GLU A 604 -9.992 7.326 10.329 1.00 4.02 O ATOM 65 OE2 GLU A 604 -10.551 8.959 11.688 1.00 15.12 O ATOM 0 H GLU A 604 -13.822 9.503 8.383 1.00 65.11 H new ATOM 0 HA GLU A 604 -12.991 6.811 7.608 1.00 3.33 H new ATOM 0 HB2 GLU A 604 -13.663 7.612 10.419 1.00 12.20 H new ATOM 0 HB3 GLU A 604 -12.399 6.548 9.836 1.00 12.20 H new ATOM 0 HG2 GLU A 604 -11.528 8.878 8.765 1.00 42.12 H new ATOM 0 HG3 GLU A 604 -12.400 9.513 10.146 1.00 42.12 H new ATOM 72 N ASP A 605 -15.971 7.574 8.740 1.00 73.14 N ATOM 73 CA ASP A 605 -17.331 7.075 8.907 1.00 71.51 C ATOM 74 C ASP A 605 -17.831 6.418 7.624 1.00 42.00 C ATOM 75 O ASP A 605 -18.605 5.461 7.663 1.00 11.34 O ATOM 76 CB ASP A 605 -18.270 8.213 9.310 1.00 11.23 C ATOM 77 CG ASP A 605 -18.462 8.300 10.812 1.00 62.42 C ATOM 78 OD1 ASP A 605 -17.455 8.462 11.530 1.00 3.42 O ATOM 79 OD2 ASP A 605 -19.621 8.204 11.268 1.00 33.31 O ATOM 0 H ASP A 605 -15.870 8.578 8.886 1.00 73.14 H new ATOM 0 HA ASP A 605 -17.321 6.325 9.698 1.00 71.51 H new ATOM 0 HB2 ASP A 605 -17.870 9.158 8.942 1.00 11.23 H new ATOM 0 HB3 ASP A 605 -19.238 8.069 8.830 1.00 11.23 H new ATOM 84 N LYS A 606 -17.384 6.939 6.486 1.00 61.54 N ATOM 85 CA LYS A 606 -17.784 6.404 5.190 1.00 5.13 C ATOM 86 C LYS A 606 -16.772 5.378 4.689 1.00 71.43 C ATOM 87 O LYS A 606 -16.726 5.070 3.497 1.00 72.22 O ATOM 88 CB LYS A 606 -17.926 7.536 4.170 1.00 13.11 C ATOM 89 CG LYS A 606 -19.301 7.607 3.529 1.00 72.22 C ATOM 90 CD LYS A 606 -20.133 8.733 4.117 1.00 14.43 C ATOM 91 CE LYS A 606 -20.652 8.379 5.502 1.00 0.14 C ATOM 92 NZ LYS A 606 -22.108 8.071 5.488 1.00 30.24 N ATOM 0 H LYS A 606 -16.744 7.732 6.435 1.00 61.54 H new ATOM 0 HA LYS A 606 -18.747 5.909 5.311 1.00 5.13 H new ATOM 0 HB2 LYS A 606 -17.714 8.486 4.661 1.00 13.11 H new ATOM 0 HB3 LYS A 606 -17.176 7.407 3.389 1.00 13.11 H new ATOM 0 HG2 LYS A 606 -19.195 7.755 2.454 1.00 72.22 H new ATOM 0 HG3 LYS A 606 -19.819 6.658 3.671 1.00 72.22 H new ATOM 0 HD2 LYS A 606 -19.531 9.640 4.174 1.00 14.43 H new ATOM 0 HD3 LYS A 606 -20.973 8.949 3.457 1.00 14.43 H new ATOM 0 HE2 LYS A 606 -20.103 7.519 5.886 1.00 0.14 H new ATOM 0 HE3 LYS A 606 -20.463 9.209 6.183 1.00 0.14 H new ATOM 0 HZ1 LYS A 606 -22.422 7.835 6.451 1.00 30.24 H new ATOM 0 HZ2 LYS A 606 -22.635 8.900 5.145 1.00 30.24 H new ATOM 0 HZ3 LYS A 606 -22.286 7.263 4.858 1.00 30.24 H new ATOM 106 N CYS A 607 -15.966 4.853 5.604 1.00 22.03 N ATOM 107 CA CYS A 607 -14.956 3.861 5.254 1.00 65.31 C ATOM 108 C CYS A 607 -15.572 2.714 4.459 1.00 21.21 C ATOM 109 O CYS A 607 -16.280 1.872 5.011 1.00 61.10 O ATOM 110 CB CYS A 607 -14.284 3.319 6.518 1.00 70.14 C ATOM 111 SG CYS A 607 -12.717 4.124 6.923 1.00 11.44 S ATOM 0 H CYS A 607 -15.992 5.097 6.594 1.00 22.03 H new ATOM 0 HA CYS A 607 -14.205 4.347 4.632 1.00 65.31 H new ATOM 0 HB2 CYS A 607 -14.968 3.435 7.359 1.00 70.14 H new ATOM 0 HB3 CYS A 607 -14.110 2.250 6.394 1.00 70.14 H new ATOM 0 HG CYS A 607 -12.439 3.927 8.178 1.00 11.44 H new ATOM 117 N LYS A 608 -15.298 2.689 3.159 1.00 31.02 N ATOM 118 CA LYS A 608 -15.826 1.647 2.286 1.00 41.20 C ATOM 119 C LYS A 608 -14.805 0.529 2.096 1.00 31.03 C ATOM 120 O LYS A 608 -13.595 0.739 2.184 1.00 55.03 O ATOM 121 CB LYS A 608 -16.211 2.237 0.928 1.00 25.02 C ATOM 122 CG LYS A 608 -17.173 3.408 1.024 1.00 11.21 C ATOM 123 CD LYS A 608 -16.502 4.715 0.636 1.00 1.20 C ATOM 124 CE LYS A 608 -17.511 5.847 0.518 1.00 2.04 C ATOM 125 NZ LYS A 608 -17.720 6.258 -0.897 1.00 51.54 N ATOM 0 H LYS A 608 -14.713 3.379 2.687 1.00 31.02 H new ATOM 0 HA LYS A 608 -16.715 1.228 2.758 1.00 41.20 H new ATOM 0 HB2 LYS A 608 -15.307 2.562 0.413 1.00 25.02 H new ATOM 0 HB3 LYS A 608 -16.663 1.456 0.317 1.00 25.02 H new ATOM 0 HG2 LYS A 608 -18.029 3.231 0.373 1.00 11.21 H new ATOM 0 HG3 LYS A 608 -17.556 3.483 2.042 1.00 11.21 H new ATOM 0 HD2 LYS A 608 -15.749 4.974 1.381 1.00 1.20 H new ATOM 0 HD3 LYS A 608 -15.981 4.590 -0.313 1.00 1.20 H new ATOM 0 HE2 LYS A 608 -18.462 5.533 0.949 1.00 2.04 H new ATOM 0 HE3 LYS A 608 -17.166 6.703 1.098 1.00 2.04 H new ATOM 0 HZ1 LYS A 608 -18.414 7.031 -0.935 1.00 51.54 H new ATOM 0 HZ2 LYS A 608 -16.818 6.582 -1.301 1.00 51.54 H new ATOM 0 HZ3 LYS A 608 -18.074 5.448 -1.445 1.00 51.54 H new ATOM 139 N PRO A 609 -15.301 -0.688 1.828 1.00 53.24 N ATOM 140 CA PRO A 609 -14.450 -1.861 1.616 1.00 25.44 C ATOM 141 C PRO A 609 -13.669 -1.784 0.309 1.00 24.30 C ATOM 142 O PRO A 609 -14.141 -1.214 -0.674 1.00 63.50 O ATOM 143 CB PRO A 609 -15.448 -3.022 1.576 1.00 44.34 C ATOM 144 CG PRO A 609 -16.730 -2.402 1.138 1.00 75.20 C ATOM 145 CD PRO A 609 -16.733 -1.010 1.707 1.00 34.23 C ATOM 0 HA PRO A 609 -13.692 -1.959 2.393 1.00 25.44 H new ATOM 0 HB2 PRO A 609 -15.126 -3.798 0.882 1.00 44.34 H new ATOM 0 HB3 PRO A 609 -15.549 -3.492 2.554 1.00 44.34 H new ATOM 0 HG2 PRO A 609 -16.801 -2.379 0.051 1.00 75.20 H new ATOM 0 HG3 PRO A 609 -17.584 -2.974 1.501 1.00 75.20 H new ATOM 0 HD2 PRO A 609 -17.249 -0.309 1.051 1.00 34.23 H new ATOM 0 HD3 PRO A 609 -17.237 -0.972 2.673 1.00 34.23 H new ATOM 153 N MET A 610 -12.471 -2.361 0.306 1.00 61.21 N ATOM 154 CA MET A 610 -11.626 -2.358 -0.882 1.00 44.31 C ATOM 155 C MET A 610 -11.478 -3.767 -1.448 1.00 55.35 C ATOM 156 O MET A 610 -11.142 -4.705 -0.725 1.00 14.42 O ATOM 157 CB MET A 610 -10.248 -1.781 -0.552 1.00 64.54 C ATOM 158 CG MET A 610 -10.283 -0.318 -0.144 1.00 10.42 C ATOM 159 SD MET A 610 -9.974 0.797 -1.527 1.00 73.23 S ATOM 160 CE MET A 610 -8.317 0.304 -1.996 1.00 20.52 C ATOM 0 H MET A 610 -12.065 -2.836 1.112 1.00 61.21 H new ATOM 0 HA MET A 610 -12.104 -1.732 -1.635 1.00 44.31 H new ATOM 0 HB2 MET A 610 -9.803 -2.364 0.254 1.00 64.54 H new ATOM 0 HB3 MET A 610 -9.599 -1.892 -1.421 1.00 64.54 H new ATOM 0 HG2 MET A 610 -11.256 -0.090 0.291 1.00 10.42 H new ATOM 0 HG3 MET A 610 -9.538 -0.143 0.632 1.00 10.42 H new ATOM 0 HE1 MET A 610 -7.648 1.161 -1.922 1.00 20.52 H new ATOM 0 HE2 MET A 610 -7.970 -0.486 -1.329 1.00 20.52 H new ATOM 0 HE3 MET A 610 -8.324 -0.064 -3.022 1.00 20.52 H new ATOM 170 N SER A 611 -11.731 -3.908 -2.745 1.00 63.22 N ATOM 171 CA SER A 611 -11.631 -5.204 -3.407 1.00 42.11 C ATOM 172 C SER A 611 -10.282 -5.354 -4.106 1.00 32.15 C ATOM 173 O SER A 611 -9.454 -4.443 -4.083 1.00 32.20 O ATOM 174 CB SER A 611 -12.764 -5.373 -4.420 1.00 53.33 C ATOM 175 OG SER A 611 -13.968 -5.760 -3.779 1.00 65.11 O ATOM 0 H SER A 611 -12.007 -3.141 -3.358 1.00 63.22 H new ATOM 0 HA SER A 611 -11.716 -5.980 -2.646 1.00 42.11 H new ATOM 0 HB2 SER A 611 -12.919 -4.437 -4.957 1.00 53.33 H new ATOM 0 HB3 SER A 611 -12.485 -6.123 -5.160 1.00 53.33 H new ATOM 0 HG SER A 611 -14.677 -5.860 -4.448 1.00 65.11 H new ATOM 181 N TYR A 612 -10.070 -6.510 -4.726 1.00 10.54 N ATOM 182 CA TYR A 612 -8.822 -6.781 -5.429 1.00 55.34 C ATOM 183 C TYR A 612 -8.719 -5.941 -6.700 1.00 31.40 C ATOM 184 O TYR A 612 -7.623 -5.645 -7.172 1.00 63.02 O ATOM 185 CB TYR A 612 -8.721 -8.267 -5.777 1.00 72.11 C ATOM 186 CG TYR A 612 -9.936 -8.803 -6.500 1.00 72.01 C ATOM 187 CD1 TYR A 612 -10.116 -8.577 -7.860 1.00 0.44 C ATOM 188 CD2 TYR A 612 -10.904 -9.536 -5.825 1.00 51.31 C ATOM 189 CE1 TYR A 612 -11.224 -9.065 -8.525 1.00 10.42 C ATOM 190 CE2 TYR A 612 -12.015 -10.028 -6.483 1.00 31.34 C ATOM 191 CZ TYR A 612 -12.171 -9.790 -7.832 1.00 10.35 C ATOM 192 OH TYR A 612 -13.277 -10.278 -8.490 1.00 25.15 O ATOM 0 H TYR A 612 -10.746 -7.273 -4.756 1.00 10.54 H new ATOM 0 HA TYR A 612 -7.997 -6.512 -4.769 1.00 55.34 H new ATOM 0 HB2 TYR A 612 -7.839 -8.427 -6.397 1.00 72.11 H new ATOM 0 HB3 TYR A 612 -8.573 -8.837 -4.860 1.00 72.11 H new ATOM 0 HD1 TYR A 612 -9.377 -8.010 -8.406 1.00 0.44 H new ATOM 0 HD2 TYR A 612 -10.786 -9.724 -4.768 1.00 51.31 H new ATOM 0 HE1 TYR A 612 -11.348 -8.880 -9.582 1.00 10.42 H new ATOM 0 HE2 TYR A 612 -12.758 -10.596 -5.943 1.00 31.34 H new ATOM 0 HH TYR A 612 -13.844 -10.767 -7.858 1.00 25.15 H new ATOM 202 N GLU A 613 -9.870 -5.563 -7.245 1.00 73.15 N ATOM 203 CA GLU A 613 -9.910 -4.758 -8.461 1.00 75.32 C ATOM 204 C GLU A 613 -9.178 -3.435 -8.261 1.00 45.52 C ATOM 205 O GLU A 613 -8.256 -3.107 -9.008 1.00 13.33 O ATOM 206 CB GLU A 613 -11.359 -4.495 -8.877 1.00 2.33 C ATOM 207 CG GLU A 613 -11.697 -5.007 -10.267 1.00 43.25 C ATOM 208 CD GLU A 613 -13.002 -5.776 -10.305 1.00 20.43 C ATOM 209 OE1 GLU A 613 -13.193 -6.666 -9.449 1.00 43.20 O ATOM 210 OE2 GLU A 613 -13.834 -5.489 -11.191 1.00 14.14 O ATOM 0 H GLU A 613 -10.786 -5.800 -6.865 1.00 73.15 H new ATOM 0 HA GLU A 613 -9.408 -5.315 -9.252 1.00 75.32 H new ATOM 0 HB2 GLU A 613 -12.026 -4.964 -8.154 1.00 2.33 H new ATOM 0 HB3 GLU A 613 -11.550 -3.423 -8.838 1.00 2.33 H new ATOM 0 HG2 GLU A 613 -11.756 -4.164 -10.956 1.00 43.25 H new ATOM 0 HG3 GLU A 613 -10.890 -5.650 -10.619 1.00 43.25 H new ATOM 217 N GLU A 614 -9.596 -2.680 -7.250 1.00 30.40 N ATOM 218 CA GLU A 614 -8.981 -1.392 -6.953 1.00 44.54 C ATOM 219 C GLU A 614 -7.577 -1.578 -6.383 1.00 75.31 C ATOM 220 O GLU A 614 -6.720 -0.704 -6.515 1.00 30.50 O ATOM 221 CB GLU A 614 -9.844 -0.604 -5.967 1.00 34.44 C ATOM 222 CG GLU A 614 -10.492 0.629 -6.574 1.00 22.12 C ATOM 223 CD GLU A 614 -11.998 0.641 -6.404 1.00 32.23 C ATOM 224 OE1 GLU A 614 -12.472 1.077 -5.334 1.00 11.10 O ATOM 225 OE2 GLU A 614 -12.704 0.214 -7.342 1.00 32.20 O ATOM 0 H GLU A 614 -10.358 -2.938 -6.623 1.00 30.40 H new ATOM 0 HA GLU A 614 -8.905 -0.832 -7.885 1.00 44.54 H new ATOM 0 HB2 GLU A 614 -10.623 -1.258 -5.576 1.00 34.44 H new ATOM 0 HB3 GLU A 614 -9.228 -0.301 -5.120 1.00 34.44 H new ATOM 0 HG2 GLU A 614 -10.071 1.521 -6.111 1.00 22.12 H new ATOM 0 HG3 GLU A 614 -10.250 0.677 -7.636 1.00 22.12 H new ATOM 232 N LYS A 615 -7.351 -2.722 -5.748 1.00 25.32 N ATOM 233 CA LYS A 615 -6.053 -3.026 -5.157 1.00 30.45 C ATOM 234 C LYS A 615 -5.011 -3.290 -6.239 1.00 2.34 C ATOM 235 O LYS A 615 -3.998 -2.595 -6.320 1.00 24.51 O ATOM 236 CB LYS A 615 -6.162 -4.240 -4.231 1.00 50.14 C ATOM 237 CG LYS A 615 -6.856 -3.941 -2.914 1.00 42.43 C ATOM 238 CD LYS A 615 -7.319 -5.214 -2.226 1.00 55.11 C ATOM 239 CE LYS A 615 -8.181 -4.908 -1.010 1.00 65.22 C ATOM 240 NZ LYS A 615 -8.770 -6.143 -0.423 1.00 63.54 N ATOM 0 H LYS A 615 -8.050 -3.455 -5.629 1.00 25.32 H new ATOM 0 HA LYS A 615 -5.735 -2.161 -4.575 1.00 30.45 H new ATOM 0 HB2 LYS A 615 -6.705 -5.032 -4.747 1.00 50.14 H new ATOM 0 HB3 LYS A 615 -5.162 -4.621 -4.026 1.00 50.14 H new ATOM 0 HG2 LYS A 615 -6.175 -3.399 -2.258 1.00 42.43 H new ATOM 0 HG3 LYS A 615 -7.712 -3.291 -3.092 1.00 42.43 H new ATOM 0 HD2 LYS A 615 -7.885 -5.824 -2.930 1.00 55.11 H new ATOM 0 HD3 LYS A 615 -6.452 -5.800 -1.921 1.00 55.11 H new ATOM 0 HE2 LYS A 615 -7.579 -4.399 -0.257 1.00 65.22 H new ATOM 0 HE3 LYS A 615 -8.981 -4.224 -1.294 1.00 65.22 H new ATOM 0 HZ1 LYS A 615 -9.800 -6.029 -0.335 1.00 63.54 H new ATOM 0 HZ2 LYS A 615 -8.563 -6.954 -1.041 1.00 63.54 H new ATOM 0 HZ3 LYS A 615 -8.359 -6.311 0.517 1.00 63.54 H new ATOM 254 N ARG A 616 -5.266 -4.297 -7.068 1.00 12.12 N ATOM 255 CA ARG A 616 -4.350 -4.651 -8.144 1.00 53.24 C ATOM 256 C ARG A 616 -3.922 -3.412 -8.926 1.00 14.35 C ATOM 257 O ARG A 616 -2.794 -3.329 -9.406 1.00 63.11 O ATOM 258 CB ARG A 616 -5.006 -5.660 -9.089 1.00 24.33 C ATOM 259 CG ARG A 616 -5.974 -5.031 -10.076 1.00 1.31 C ATOM 260 CD ARG A 616 -5.286 -4.685 -11.388 1.00 33.11 C ATOM 261 NE ARG A 616 -5.790 -3.438 -11.957 1.00 10.35 N ATOM 262 CZ ARG A 616 -5.295 -2.879 -13.056 1.00 53.22 C ATOM 263 NH1 ARG A 616 -4.289 -3.454 -13.701 1.00 34.30 N ATOM 264 NH2 ARG A 616 -5.807 -1.743 -13.512 1.00 52.21 N ATOM 0 H ARG A 616 -6.100 -4.882 -7.014 1.00 12.12 H new ATOM 0 HA ARG A 616 -3.464 -5.102 -7.698 1.00 53.24 H new ATOM 0 HB2 ARG A 616 -4.228 -6.186 -9.642 1.00 24.33 H new ATOM 0 HB3 ARG A 616 -5.537 -6.406 -8.498 1.00 24.33 H new ATOM 0 HG2 ARG A 616 -6.799 -5.718 -10.266 1.00 1.31 H new ATOM 0 HG3 ARG A 616 -6.404 -4.129 -9.641 1.00 1.31 H new ATOM 0 HD2 ARG A 616 -4.212 -4.600 -11.223 1.00 33.11 H new ATOM 0 HD3 ARG A 616 -5.436 -5.496 -12.101 1.00 33.11 H new ATOM 0 HE ARG A 616 -6.564 -2.971 -11.485 1.00 10.35 H new ATOM 0 HH11 ARG A 616 -3.893 -4.328 -13.354 1.00 34.30 H new ATOM 0 HH12 ARG A 616 -3.911 -3.023 -14.544 1.00 34.30 H new ATOM 0 HH21 ARG A 616 -6.581 -1.298 -13.019 1.00 52.21 H new ATOM 0 HH22 ARG A 616 -5.426 -1.314 -14.356 1.00 52.21 H new ATOM 278 N GLN A 617 -4.834 -2.452 -9.046 1.00 5.44 N ATOM 279 CA GLN A 617 -4.551 -1.217 -9.769 1.00 31.44 C ATOM 280 C GLN A 617 -3.590 -0.333 -8.981 1.00 13.52 C ATOM 281 O GLN A 617 -2.648 0.230 -9.540 1.00 31.31 O ATOM 282 CB GLN A 617 -5.849 -0.458 -10.051 1.00 4.43 C ATOM 283 CG GLN A 617 -5.651 1.040 -10.218 1.00 53.12 C ATOM 284 CD GLN A 617 -4.662 1.380 -11.315 1.00 65.04 C ATOM 285 OE1 GLN A 617 -4.488 0.619 -12.268 1.00 52.31 O ATOM 286 NE2 GLN A 617 -4.006 2.527 -11.187 1.00 51.24 N ATOM 0 H GLN A 617 -5.774 -2.505 -8.653 1.00 5.44 H new ATOM 0 HA GLN A 617 -4.079 -1.479 -10.716 1.00 31.44 H new ATOM 0 HB2 GLN A 617 -6.306 -0.859 -10.956 1.00 4.43 H new ATOM 0 HB3 GLN A 617 -6.549 -0.635 -9.235 1.00 4.43 H new ATOM 0 HG2 GLN A 617 -6.610 1.507 -10.442 1.00 53.12 H new ATOM 0 HG3 GLN A 617 -5.303 1.464 -9.276 1.00 53.12 H new ATOM 0 HE21 GLN A 617 -4.181 3.127 -10.381 1.00 51.24 H new ATOM 0 HE22 GLN A 617 -3.327 2.808 -11.894 1.00 51.24 H new ATOM 295 N LEU A 618 -3.836 -0.213 -7.681 1.00 64.14 N ATOM 296 CA LEU A 618 -2.992 0.603 -6.815 1.00 34.02 C ATOM 297 C LEU A 618 -1.602 -0.008 -6.675 1.00 62.01 C ATOM 298 O LEU A 618 -0.593 0.690 -6.778 1.00 25.20 O ATOM 299 CB LEU A 618 -3.637 0.753 -5.436 1.00 51.51 C ATOM 300 CG LEU A 618 -2.677 0.981 -4.268 1.00 35.10 C ATOM 301 CD1 LEU A 618 -3.318 1.876 -3.217 1.00 63.31 C ATOM 302 CD2 LEU A 618 -2.258 -0.348 -3.656 1.00 15.13 C ATOM 0 H LEU A 618 -4.613 -0.670 -7.204 1.00 64.14 H new ATOM 0 HA LEU A 618 -2.891 1.588 -7.271 1.00 34.02 H new ATOM 0 HB2 LEU A 618 -4.337 1.588 -5.473 1.00 51.51 H new ATOM 0 HB3 LEU A 618 -4.221 -0.144 -5.231 1.00 51.51 H new ATOM 0 HG LEU A 618 -1.786 1.481 -4.647 1.00 35.10 H new ATOM 0 HD11 LEU A 618 -2.620 2.027 -2.393 1.00 63.31 H new ATOM 0 HD12 LEU A 618 -3.568 2.839 -3.662 1.00 63.31 H new ATOM 0 HD13 LEU A 618 -4.226 1.404 -2.841 1.00 63.31 H new ATOM 0 HD21 LEU A 618 -1.575 -0.167 -2.826 1.00 15.13 H new ATOM 0 HD22 LEU A 618 -3.140 -0.875 -3.292 1.00 15.13 H new ATOM 0 HD23 LEU A 618 -1.759 -0.955 -4.411 1.00 15.13 H new ATOM 314 N SER A 619 -1.557 -1.316 -6.441 1.00 42.21 N ATOM 315 CA SER A 619 -0.290 -2.021 -6.285 1.00 73.13 C ATOM 316 C SER A 619 0.655 -1.702 -7.440 1.00 62.43 C ATOM 317 O SER A 619 1.853 -1.498 -7.239 1.00 14.21 O ATOM 318 CB SER A 619 -0.528 -3.530 -6.208 1.00 73.50 C ATOM 319 OG SER A 619 -1.633 -3.914 -7.010 1.00 0.10 O ATOM 0 H SER A 619 -2.383 -1.908 -6.355 1.00 42.21 H new ATOM 0 HA SER A 619 0.172 -1.685 -5.357 1.00 73.13 H new ATOM 0 HB2 SER A 619 0.366 -4.060 -6.537 1.00 73.50 H new ATOM 0 HB3 SER A 619 -0.707 -3.821 -5.173 1.00 73.50 H new ATOM 0 HG SER A 619 -1.566 -3.483 -7.888 1.00 0.10 H new ATOM 325 N LEU A 620 0.108 -1.663 -8.650 1.00 53.01 N ATOM 326 CA LEU A 620 0.900 -1.369 -9.839 1.00 21.34 C ATOM 327 C LEU A 620 1.150 0.130 -9.970 1.00 72.34 C ATOM 328 O LEU A 620 2.279 0.563 -10.203 1.00 13.13 O ATOM 329 CB LEU A 620 0.192 -1.891 -11.090 1.00 33.24 C ATOM 330 CG LEU A 620 0.812 -1.490 -12.429 1.00 33.12 C ATOM 331 CD1 LEU A 620 1.987 -2.396 -12.766 1.00 54.40 C ATOM 332 CD2 LEU A 620 -0.232 -1.535 -13.535 1.00 41.34 C ATOM 0 H LEU A 620 -0.881 -1.831 -8.834 1.00 53.01 H new ATOM 0 HA LEU A 620 1.862 -1.871 -9.738 1.00 21.34 H new ATOM 0 HB2 LEU A 620 0.161 -2.979 -11.038 1.00 33.24 H new ATOM 0 HB3 LEU A 620 -0.840 -1.542 -11.071 1.00 33.24 H new ATOM 0 HG LEU A 620 1.180 -0.467 -12.345 1.00 33.12 H new ATOM 0 HD11 LEU A 620 2.416 -2.096 -13.722 1.00 54.40 H new ATOM 0 HD12 LEU A 620 2.745 -2.314 -11.987 1.00 54.40 H new ATOM 0 HD13 LEU A 620 1.644 -3.428 -12.831 1.00 54.40 H new ATOM 0 HD21 LEU A 620 0.227 -1.247 -14.481 1.00 41.34 H new ATOM 0 HD22 LEU A 620 -0.630 -2.546 -13.618 1.00 41.34 H new ATOM 0 HD23 LEU A 620 -1.042 -0.844 -13.299 1.00 41.34 H new ATOM 344 N ASP A 621 0.090 0.916 -9.818 1.00 42.32 N ATOM 345 CA ASP A 621 0.195 2.367 -9.916 1.00 55.54 C ATOM 346 C ASP A 621 1.307 2.895 -9.015 1.00 0.22 C ATOM 347 O ASP A 621 2.196 3.617 -9.467 1.00 1.42 O ATOM 348 CB ASP A 621 -1.135 3.023 -9.542 1.00 71.33 C ATOM 349 CG ASP A 621 -1.304 4.392 -10.173 1.00 33.44 C ATOM 350 OD1 ASP A 621 -0.732 4.619 -11.260 1.00 75.42 O ATOM 351 OD2 ASP A 621 -2.009 5.235 -9.580 1.00 63.40 O ATOM 0 H ASP A 621 -0.851 0.573 -9.627 1.00 42.32 H new ATOM 0 HA ASP A 621 0.438 2.619 -10.948 1.00 55.54 H new ATOM 0 HB2 ASP A 621 -1.956 2.378 -9.856 1.00 71.33 H new ATOM 0 HB3 ASP A 621 -1.199 3.116 -8.458 1.00 71.33 H new ATOM 356 N ILE A 622 1.250 2.530 -7.738 1.00 61.42 N ATOM 357 CA ILE A 622 2.251 2.966 -6.774 1.00 25.31 C ATOM 358 C ILE A 622 3.627 2.404 -7.118 1.00 53.43 C ATOM 359 O ILE A 622 4.646 3.066 -6.922 1.00 74.03 O ATOM 360 CB ILE A 622 1.878 2.538 -5.343 1.00 21.34 C ATOM 361 CG1 ILE A 622 0.613 3.265 -4.883 1.00 71.44 C ATOM 362 CG2 ILE A 622 3.031 2.817 -4.389 1.00 21.32 C ATOM 363 CD1 ILE A 622 0.115 2.815 -3.527 1.00 63.13 C ATOM 0 H ILE A 622 0.521 1.933 -7.348 1.00 61.42 H new ATOM 0 HA ILE A 622 2.283 4.054 -6.823 1.00 25.31 H new ATOM 0 HB ILE A 622 1.680 1.466 -5.341 1.00 21.34 H new ATOM 0 HG12 ILE A 622 0.811 4.336 -4.851 1.00 71.44 H new ATOM 0 HG13 ILE A 622 -0.174 3.108 -5.620 1.00 71.44 H new ATOM 0 HG21 ILE A 622 2.752 2.509 -3.381 1.00 21.32 H new ATOM 0 HG22 ILE A 622 3.911 2.259 -4.709 1.00 21.32 H new ATOM 0 HG23 ILE A 622 3.257 3.883 -4.393 1.00 21.32 H new ATOM 0 HD11 ILE A 622 -0.784 3.373 -3.266 1.00 63.13 H new ATOM 0 HD12 ILE A 622 -0.115 1.750 -3.559 1.00 63.13 H new ATOM 0 HD13 ILE A 622 0.885 2.997 -2.778 1.00 63.13 H new ATOM 375 N ASN A 623 3.648 1.179 -7.634 1.00 30.03 N ATOM 376 CA ASN A 623 4.899 0.528 -8.006 1.00 55.45 C ATOM 377 C ASN A 623 5.596 1.291 -9.130 1.00 14.44 C ATOM 378 O ASN A 623 6.813 1.469 -9.111 1.00 21.21 O ATOM 379 CB ASN A 623 4.636 -0.915 -8.442 1.00 71.11 C ATOM 380 CG ASN A 623 5.776 -1.487 -9.263 1.00 15.30 C ATOM 381 OD1 ASN A 623 6.942 -1.161 -9.040 1.00 13.31 O ATOM 382 ND2 ASN A 623 5.443 -2.345 -10.220 1.00 75.55 N ATOM 0 H ASN A 623 2.813 0.618 -7.804 1.00 30.03 H new ATOM 0 HA ASN A 623 5.552 0.525 -7.133 1.00 55.45 H new ATOM 0 HB2 ASN A 623 4.480 -1.536 -7.560 1.00 71.11 H new ATOM 0 HB3 ASN A 623 3.716 -0.954 -9.026 1.00 71.11 H new ATOM 0 HD21 ASN A 623 6.167 -2.762 -10.805 1.00 75.55 H new ATOM 0 HD22 ASN A 623 4.463 -2.587 -10.370 1.00 75.55 H new ATOM 389 N LYS A 624 4.814 1.742 -10.105 1.00 21.53 N ATOM 390 CA LYS A 624 5.353 2.487 -11.235 1.00 40.40 C ATOM 391 C LYS A 624 5.785 3.887 -10.807 1.00 40.03 C ATOM 392 O LYS A 624 6.694 4.474 -11.396 1.00 70.13 O ATOM 393 CB LYS A 624 4.313 2.582 -12.353 1.00 41.53 C ATOM 394 CG LYS A 624 4.806 3.328 -13.582 1.00 3.30 C ATOM 395 CD LYS A 624 3.666 3.654 -14.531 1.00 53.10 C ATOM 396 CE LYS A 624 3.006 4.978 -14.177 1.00 20.22 C ATOM 397 NZ LYS A 624 1.596 4.793 -13.732 1.00 25.04 N ATOM 0 H LYS A 624 3.804 1.604 -10.135 1.00 21.53 H new ATOM 0 HA LYS A 624 6.228 1.953 -11.606 1.00 40.40 H new ATOM 0 HB2 LYS A 624 4.013 1.576 -12.645 1.00 41.53 H new ATOM 0 HB3 LYS A 624 3.423 3.081 -11.969 1.00 41.53 H new ATOM 0 HG2 LYS A 624 5.300 4.250 -13.275 1.00 3.30 H new ATOM 0 HG3 LYS A 624 5.551 2.724 -14.101 1.00 3.30 H new ATOM 0 HD2 LYS A 624 4.043 3.696 -15.553 1.00 53.10 H new ATOM 0 HD3 LYS A 624 2.924 2.856 -14.497 1.00 53.10 H new ATOM 0 HE2 LYS A 624 3.575 5.468 -13.387 1.00 20.22 H new ATOM 0 HE3 LYS A 624 3.030 5.639 -15.043 1.00 20.22 H new ATOM 0 HZ1 LYS A 624 1.181 5.718 -13.500 1.00 25.04 H new ATOM 0 HZ2 LYS A 624 1.047 4.349 -14.495 1.00 25.04 H new ATOM 0 HZ3 LYS A 624 1.575 4.183 -12.890 1.00 25.04 H new ATOM 411 N LEU A 625 5.130 4.415 -9.780 1.00 32.24 N ATOM 412 CA LEU A 625 5.446 5.745 -9.272 1.00 1.42 C ATOM 413 C LEU A 625 6.830 5.768 -8.632 1.00 23.34 C ATOM 414 O LEU A 625 7.400 4.732 -8.290 1.00 30.42 O ATOM 415 CB LEU A 625 4.394 6.189 -8.255 1.00 51.11 C ATOM 416 CG LEU A 625 3.300 7.119 -8.783 1.00 23.12 C ATOM 417 CD1 LEU A 625 2.785 6.628 -10.127 1.00 64.21 C ATOM 418 CD2 LEU A 625 2.161 7.226 -7.780 1.00 23.24 C ATOM 0 H LEU A 625 4.376 3.942 -9.282 1.00 32.24 H new ATOM 0 HA LEU A 625 5.443 6.438 -10.113 1.00 1.42 H new ATOM 0 HB2 LEU A 625 3.919 5.299 -7.842 1.00 51.11 H new ATOM 0 HB3 LEU A 625 4.903 6.690 -7.431 1.00 51.11 H new ATOM 0 HG LEU A 625 3.729 8.111 -8.922 1.00 23.12 H new ATOM 0 HD11 LEU A 625 2.008 7.302 -10.487 1.00 64.21 H new ATOM 0 HD12 LEU A 625 3.605 6.604 -10.844 1.00 64.21 H new ATOM 0 HD13 LEU A 625 2.372 5.625 -10.014 1.00 64.21 H new ATOM 0 HD21 LEU A 625 1.392 7.891 -8.172 1.00 23.24 H new ATOM 0 HD22 LEU A 625 1.733 6.238 -7.609 1.00 23.24 H new ATOM 0 HD23 LEU A 625 2.541 7.625 -6.839 1.00 23.24 H new ATOM 430 N PRO A 626 7.385 6.977 -8.461 1.00 11.41 N ATOM 431 CA PRO A 626 8.707 7.165 -7.857 1.00 65.45 C ATOM 432 C PRO A 626 8.715 6.844 -6.367 1.00 71.20 C ATOM 433 O PRO A 626 7.664 6.775 -5.731 1.00 75.15 O ATOM 434 CB PRO A 626 8.994 8.650 -8.086 1.00 42.02 C ATOM 435 CG PRO A 626 7.651 9.283 -8.199 1.00 53.31 C ATOM 436 CD PRO A 626 6.762 8.255 -8.845 1.00 43.31 C ATOM 0 HA PRO A 626 9.453 6.501 -8.294 1.00 65.45 H new ATOM 0 HB2 PRO A 626 9.564 9.075 -7.260 1.00 42.02 H new ATOM 0 HB3 PRO A 626 9.582 8.805 -8.991 1.00 42.02 H new ATOM 0 HG2 PRO A 626 7.270 9.568 -7.218 1.00 53.31 H new ATOM 0 HG3 PRO A 626 7.697 10.192 -8.799 1.00 53.31 H new ATOM 0 HD2 PRO A 626 5.736 8.327 -8.484 1.00 43.31 H new ATOM 0 HD3 PRO A 626 6.728 8.376 -9.928 1.00 43.31 H new ATOM 444 N GLY A 627 9.908 6.647 -5.813 1.00 41.43 N ATOM 445 CA GLY A 627 10.028 6.337 -4.401 1.00 65.33 C ATOM 446 C GLY A 627 9.278 7.319 -3.525 1.00 41.43 C ATOM 447 O GLY A 627 8.603 6.923 -2.576 1.00 62.30 O ATOM 0 H GLY A 627 10.793 6.697 -6.317 1.00 41.43 H new ATOM 0 HA2 GLY A 627 9.649 5.331 -4.220 1.00 65.33 H new ATOM 0 HA3 GLY A 627 11.081 6.336 -4.121 1.00 65.33 H new ATOM 451 N GLU A 628 9.396 8.604 -3.843 1.00 44.54 N ATOM 452 CA GLU A 628 8.725 9.646 -3.075 1.00 10.12 C ATOM 453 C GLU A 628 7.251 9.307 -2.872 1.00 30.24 C ATOM 454 O GLU A 628 6.683 9.563 -1.809 1.00 22.11 O ATOM 455 CB GLU A 628 8.856 10.997 -3.781 1.00 75.51 C ATOM 456 CG GLU A 628 8.055 12.108 -3.124 1.00 11.42 C ATOM 457 CD GLU A 628 8.149 13.420 -3.878 1.00 22.22 C ATOM 458 OE1 GLU A 628 9.278 13.928 -4.044 1.00 52.41 O ATOM 459 OE2 GLU A 628 7.095 13.938 -4.302 1.00 12.03 O ATOM 0 H GLU A 628 9.950 8.948 -4.627 1.00 44.54 H new ATOM 0 HA GLU A 628 9.205 9.707 -2.098 1.00 10.12 H new ATOM 0 HB2 GLU A 628 9.907 11.284 -3.805 1.00 75.51 H new ATOM 0 HB3 GLU A 628 8.531 10.890 -4.816 1.00 75.51 H new ATOM 0 HG2 GLU A 628 7.010 11.806 -3.057 1.00 11.42 H new ATOM 0 HG3 GLU A 628 8.411 12.253 -2.104 1.00 11.42 H new ATOM 466 N LYS A 629 6.636 8.729 -3.898 1.00 55.24 N ATOM 467 CA LYS A 629 5.228 8.354 -3.834 1.00 50.31 C ATOM 468 C LYS A 629 5.025 7.159 -2.909 1.00 41.04 C ATOM 469 O LYS A 629 4.102 7.141 -2.095 1.00 33.40 O ATOM 470 CB LYS A 629 4.704 8.024 -5.234 1.00 54.20 C ATOM 471 CG LYS A 629 4.075 9.211 -5.943 1.00 52.21 C ATOM 472 CD LYS A 629 4.974 10.434 -5.888 1.00 43.23 C ATOM 473 CE LYS A 629 4.824 11.293 -7.134 1.00 60.55 C ATOM 474 NZ LYS A 629 4.789 12.745 -6.807 1.00 64.53 N ATOM 0 H LYS A 629 7.091 8.510 -4.784 1.00 55.24 H new ATOM 0 HA LYS A 629 4.670 9.200 -3.433 1.00 50.31 H new ATOM 0 HB2 LYS A 629 5.526 7.643 -5.840 1.00 54.20 H new ATOM 0 HB3 LYS A 629 3.967 7.225 -5.158 1.00 54.20 H new ATOM 0 HG2 LYS A 629 3.876 8.951 -6.983 1.00 52.21 H new ATOM 0 HG3 LYS A 629 3.115 9.443 -5.483 1.00 52.21 H new ATOM 0 HD2 LYS A 629 4.731 11.026 -5.005 1.00 43.23 H new ATOM 0 HD3 LYS A 629 6.012 10.119 -5.785 1.00 43.23 H new ATOM 0 HE2 LYS A 629 5.652 11.094 -7.814 1.00 60.55 H new ATOM 0 HE3 LYS A 629 3.909 11.017 -7.657 1.00 60.55 H new ATOM 0 HZ1 LYS A 629 4.686 13.296 -7.683 1.00 64.53 H new ATOM 0 HZ2 LYS A 629 3.984 12.940 -6.179 1.00 64.53 H new ATOM 0 HZ3 LYS A 629 5.673 13.015 -6.330 1.00 64.53 H new ATOM 488 N LEU A 630 5.894 6.162 -3.038 1.00 45.42 N ATOM 489 CA LEU A 630 5.812 4.963 -2.211 1.00 42.13 C ATOM 490 C LEU A 630 6.076 5.292 -0.745 1.00 42.22 C ATOM 491 O LEU A 630 5.218 5.089 0.112 1.00 42.23 O ATOM 492 CB LEU A 630 6.812 3.914 -2.699 1.00 64.44 C ATOM 493 CG LEU A 630 6.305 2.472 -2.744 1.00 71.12 C ATOM 494 CD1 LEU A 630 6.117 2.018 -4.184 1.00 31.32 C ATOM 495 CD2 LEU A 630 7.265 1.546 -2.011 1.00 74.11 C ATOM 0 H LEU A 630 6.664 6.160 -3.708 1.00 45.42 H new ATOM 0 HA LEU A 630 4.802 4.561 -2.297 1.00 42.13 H new ATOM 0 HB2 LEU A 630 7.142 4.193 -3.700 1.00 64.44 H new ATOM 0 HB3 LEU A 630 7.689 3.949 -2.053 1.00 64.44 H new ATOM 0 HG LEU A 630 5.338 2.430 -2.242 1.00 71.12 H new ATOM 0 HD11 LEU A 630 5.756 0.990 -4.197 1.00 31.32 H new ATOM 0 HD12 LEU A 630 5.391 2.664 -4.677 1.00 31.32 H new ATOM 0 HD13 LEU A 630 7.070 2.075 -4.711 1.00 31.32 H new ATOM 0 HD21 LEU A 630 6.888 0.524 -2.053 1.00 74.11 H new ATOM 0 HD22 LEU A 630 8.246 1.591 -2.484 1.00 74.11 H new ATOM 0 HD23 LEU A 630 7.349 1.859 -0.970 1.00 74.11 H new ATOM 507 N GLY A 631 7.271 5.804 -0.465 1.00 44.55 N ATOM 508 CA GLY A 631 7.627 6.156 0.896 1.00 1.45 C ATOM 509 C GLY A 631 6.483 6.813 1.644 1.00 64.32 C ATOM 510 O GLY A 631 6.289 6.569 2.834 1.00 32.50 O ATOM 0 H GLY A 631 7.999 5.981 -1.157 1.00 44.55 H new ATOM 0 HA2 GLY A 631 7.938 5.258 1.430 1.00 1.45 H new ATOM 0 HA3 GLY A 631 8.483 6.831 0.881 1.00 1.45 H new ATOM 514 N ARG A 632 5.724 7.650 0.944 1.00 62.32 N ATOM 515 CA ARG A 632 4.596 8.345 1.548 1.00 15.22 C ATOM 516 C ARG A 632 3.434 7.386 1.795 1.00 42.52 C ATOM 517 O ARG A 632 2.880 7.335 2.893 1.00 21.15 O ATOM 518 CB ARG A 632 4.138 9.497 0.651 1.00 0.12 C ATOM 519 CG ARG A 632 4.484 10.872 1.201 1.00 64.43 C ATOM 520 CD ARG A 632 4.818 11.849 0.086 1.00 41.33 C ATOM 521 NE ARG A 632 3.909 12.993 0.069 1.00 65.51 N ATOM 522 CZ ARG A 632 3.933 13.964 0.975 1.00 41.54 C ATOM 523 NH1 ARG A 632 4.816 13.932 1.963 1.00 72.32 N ATOM 524 NH2 ARG A 632 3.073 14.971 0.891 1.00 44.22 N ATOM 0 H ARG A 632 5.871 7.863 -0.043 1.00 62.32 H new ATOM 0 HA ARG A 632 4.922 8.748 2.507 1.00 15.22 H new ATOM 0 HB2 ARG A 632 4.593 9.383 -0.333 1.00 0.12 H new ATOM 0 HB3 ARG A 632 3.059 9.431 0.512 1.00 0.12 H new ATOM 0 HG2 ARG A 632 3.645 11.254 1.782 1.00 64.43 H new ATOM 0 HG3 ARG A 632 5.332 10.790 1.881 1.00 64.43 H new ATOM 0 HD2 ARG A 632 5.842 12.202 0.208 1.00 41.33 H new ATOM 0 HD3 ARG A 632 4.770 11.334 -0.873 1.00 41.33 H new ATOM 0 HE ARG A 632 3.218 13.049 -0.679 1.00 65.51 H new ATOM 0 HH11 ARG A 632 5.480 13.160 2.029 1.00 72.32 H new ATOM 0 HH12 ARG A 632 4.832 14.679 2.657 1.00 72.32 H new ATOM 0 HH21 ARG A 632 2.394 14.999 0.131 1.00 44.22 H new ATOM 0 HH22 ARG A 632 3.091 15.717 1.587 1.00 44.22 H new ATOM 538 N VAL A 633 3.069 6.630 0.765 1.00 41.11 N ATOM 539 CA VAL A 633 1.975 5.673 0.869 1.00 22.21 C ATOM 540 C VAL A 633 2.328 4.535 1.821 1.00 42.24 C ATOM 541 O VAL A 633 1.610 4.275 2.786 1.00 24.41 O ATOM 542 CB VAL A 633 1.613 5.082 -0.507 1.00 13.10 C ATOM 543 CG1 VAL A 633 0.441 4.120 -0.383 1.00 64.45 C ATOM 544 CG2 VAL A 633 1.299 6.193 -1.497 1.00 43.03 C ATOM 0 H VAL A 633 3.515 6.662 -0.152 1.00 41.11 H new ATOM 0 HA VAL A 633 1.115 6.217 1.260 1.00 22.21 H new ATOM 0 HB VAL A 633 2.472 4.525 -0.882 1.00 13.10 H new ATOM 0 HG11 VAL A 633 0.199 3.712 -1.365 1.00 64.45 H new ATOM 0 HG12 VAL A 633 0.708 3.307 0.292 1.00 64.45 H new ATOM 0 HG13 VAL A 633 -0.425 4.651 0.013 1.00 64.45 H new ATOM 0 HG21 VAL A 633 1.045 5.758 -2.464 1.00 43.03 H new ATOM 0 HG22 VAL A 633 0.456 6.779 -1.131 1.00 43.03 H new ATOM 0 HG23 VAL A 633 2.170 6.839 -1.607 1.00 43.03 H new ATOM 554 N VAL A 634 3.439 3.862 1.543 1.00 65.33 N ATOM 555 CA VAL A 634 3.890 2.752 2.375 1.00 0.23 C ATOM 556 C VAL A 634 3.874 3.133 3.852 1.00 22.11 C ATOM 557 O VAL A 634 3.670 2.284 4.720 1.00 33.42 O ATOM 558 CB VAL A 634 5.310 2.300 1.988 1.00 51.44 C ATOM 559 CG1 VAL A 634 5.400 2.048 0.490 1.00 14.31 C ATOM 560 CG2 VAL A 634 6.336 3.334 2.425 1.00 10.20 C ATOM 0 H VAL A 634 4.044 4.066 0.748 1.00 65.33 H new ATOM 0 HA VAL A 634 3.197 1.928 2.207 1.00 0.23 H new ATOM 0 HB VAL A 634 5.528 1.365 2.504 1.00 51.44 H new ATOM 0 HG11 VAL A 634 6.411 1.729 0.235 1.00 14.31 H new ATOM 0 HG12 VAL A 634 4.692 1.268 0.209 1.00 14.31 H new ATOM 0 HG13 VAL A 634 5.162 2.965 -0.048 1.00 14.31 H new ATOM 0 HG21 VAL A 634 7.334 2.998 2.143 1.00 10.20 H new ATOM 0 HG22 VAL A 634 6.123 4.286 1.939 1.00 10.20 H new ATOM 0 HG23 VAL A 634 6.287 3.460 3.507 1.00 10.20 H new ATOM 570 N HIS A 635 4.092 4.414 4.130 1.00 73.41 N ATOM 571 CA HIS A 635 4.103 4.908 5.503 1.00 53.15 C ATOM 572 C HIS A 635 2.695 4.904 6.091 1.00 10.13 C ATOM 573 O HIS A 635 2.504 4.576 7.263 1.00 54.23 O ATOM 574 CB HIS A 635 4.687 6.320 5.554 1.00 15.11 C ATOM 575 CG HIS A 635 4.783 6.877 6.941 1.00 13.21 C ATOM 576 ND1 HIS A 635 5.695 6.426 7.872 1.00 42.32 N ATOM 577 CD2 HIS A 635 4.076 7.856 7.553 1.00 75.24 C ATOM 578 CE1 HIS A 635 5.543 7.102 8.997 1.00 60.33 C ATOM 579 NE2 HIS A 635 4.567 7.976 8.829 1.00 13.33 N ATOM 0 H HIS A 635 4.263 5.129 3.423 1.00 73.41 H new ATOM 0 HA HIS A 635 4.729 4.243 6.099 1.00 53.15 H new ATOM 0 HB2 HIS A 635 5.680 6.310 5.105 1.00 15.11 H new ATOM 0 HB3 HIS A 635 4.070 6.982 4.947 1.00 15.11 H new ATOM 0 HD2 HIS A 635 3.275 8.435 7.118 1.00 75.24 H new ATOM 0 HE1 HIS A 635 6.119 6.964 9.900 1.00 60.33 H new ATOM 0 HE2 HIS A 635 4.232 8.634 9.533 1.00 13.33 H new ATOM 587 N ILE A 636 1.715 5.271 5.272 1.00 11.14 N ATOM 588 CA ILE A 636 0.327 5.310 5.713 1.00 34.53 C ATOM 589 C ILE A 636 -0.113 3.958 6.264 1.00 61.21 C ATOM 590 O ILE A 636 -0.882 3.888 7.224 1.00 64.34 O ATOM 591 CB ILE A 636 -0.617 5.716 4.565 1.00 32.10 C ATOM 592 CG1 ILE A 636 -0.041 6.908 3.798 1.00 24.42 C ATOM 593 CG2 ILE A 636 -1.999 6.047 5.109 1.00 61.44 C ATOM 594 CD1 ILE A 636 -1.040 7.577 2.883 1.00 51.15 C ATOM 0 H ILE A 636 1.857 5.545 4.300 1.00 11.14 H new ATOM 0 HA ILE A 636 0.268 6.058 6.503 1.00 34.53 H new ATOM 0 HB ILE A 636 -0.710 4.876 3.876 1.00 32.10 H new ATOM 0 HG12 ILE A 636 0.334 7.642 4.511 1.00 24.42 H new ATOM 0 HG13 ILE A 636 0.812 6.572 3.208 1.00 24.42 H new ATOM 0 HG21 ILE A 636 -2.655 6.332 4.287 1.00 61.44 H new ATOM 0 HG22 ILE A 636 -2.410 5.173 5.615 1.00 61.44 H new ATOM 0 HG23 ILE A 636 -1.923 6.873 5.816 1.00 61.44 H new ATOM 0 HD11 ILE A 636 -0.562 8.413 2.372 1.00 51.15 H new ATOM 0 HD12 ILE A 636 -1.397 6.858 2.146 1.00 51.15 H new ATOM 0 HD13 ILE A 636 -1.882 7.944 3.470 1.00 51.15 H new ATOM 606 N ILE A 637 0.381 2.886 5.652 1.00 11.21 N ATOM 607 CA ILE A 637 0.041 1.536 6.083 1.00 32.23 C ATOM 608 C ILE A 637 0.603 1.244 7.470 1.00 53.40 C ATOM 609 O ILE A 637 -0.148 1.025 8.420 1.00 25.12 O ATOM 610 CB ILE A 637 0.569 0.480 5.094 1.00 14.01 C ATOM 611 CG1 ILE A 637 -0.179 0.577 3.763 1.00 73.41 C ATOM 612 CG2 ILE A 637 0.430 -0.915 5.686 1.00 51.42 C ATOM 613 CD1 ILE A 637 0.352 1.659 2.849 1.00 14.44 C ATOM 0 H ILE A 637 1.018 2.927 4.856 1.00 11.21 H new ATOM 0 HA ILE A 637 -1.047 1.479 6.116 1.00 32.23 H new ATOM 0 HB ILE A 637 1.626 0.672 4.909 1.00 14.01 H new ATOM 0 HG12 ILE A 637 -0.118 -0.383 3.250 1.00 73.41 H new ATOM 0 HG13 ILE A 637 -1.234 0.766 3.961 1.00 73.41 H new ATOM 0 HG21 ILE A 637 0.807 -1.651 4.976 1.00 51.42 H new ATOM 0 HG22 ILE A 637 1.003 -0.976 6.611 1.00 51.42 H new ATOM 0 HG23 ILE A 637 -0.620 -1.118 5.896 1.00 51.42 H new ATOM 0 HD11 ILE A 637 -0.225 1.670 1.925 1.00 14.44 H new ATOM 0 HD12 ILE A 637 0.265 2.627 3.343 1.00 14.44 H new ATOM 0 HD13 ILE A 637 1.399 1.461 2.620 1.00 14.44 H new ATOM 625 N GLN A 638 1.927 1.245 7.578 1.00 3.42 N ATOM 626 CA GLN A 638 2.591 0.981 8.849 1.00 12.22 C ATOM 627 C GLN A 638 2.027 1.871 9.952 1.00 53.21 C ATOM 628 O GLN A 638 2.098 1.533 11.134 1.00 70.21 O ATOM 629 CB GLN A 638 4.099 1.205 8.719 1.00 14.11 C ATOM 630 CG GLN A 638 4.462 2.484 7.982 1.00 25.13 C ATOM 631 CD GLN A 638 5.953 2.757 7.989 1.00 5.03 C ATOM 632 OE1 GLN A 638 6.558 2.934 9.047 1.00 44.31 O ATOM 633 NE2 GLN A 638 6.555 2.792 6.806 1.00 40.00 N ATOM 0 H GLN A 638 2.562 1.426 6.800 1.00 3.42 H new ATOM 0 HA GLN A 638 2.408 -0.060 9.116 1.00 12.22 H new ATOM 0 HB2 GLN A 638 4.541 1.231 9.715 1.00 14.11 H new ATOM 0 HB3 GLN A 638 4.540 0.356 8.196 1.00 14.11 H new ATOM 0 HG2 GLN A 638 4.113 2.417 6.951 1.00 25.13 H new ATOM 0 HG3 GLN A 638 3.940 3.324 8.441 1.00 25.13 H new ATOM 0 HE21 GLN A 638 6.015 2.640 5.954 1.00 40.00 H new ATOM 0 HE22 GLN A 638 7.558 2.971 6.749 1.00 40.00 H new ATOM 642 N SER A 639 1.466 3.010 9.559 1.00 43.15 N ATOM 643 CA SER A 639 0.894 3.951 10.514 1.00 52.21 C ATOM 644 C SER A 639 -0.378 3.385 11.137 1.00 31.25 C ATOM 645 O SER A 639 -0.627 3.557 12.331 1.00 40.01 O ATOM 646 CB SER A 639 0.589 5.285 9.828 1.00 31.33 C ATOM 647 OG SER A 639 -0.755 5.332 9.380 1.00 65.25 O ATOM 0 H SER A 639 1.396 3.303 8.585 1.00 43.15 H new ATOM 0 HA SER A 639 1.624 4.116 11.306 1.00 52.21 H new ATOM 0 HB2 SER A 639 0.773 6.105 10.522 1.00 31.33 H new ATOM 0 HB3 SER A 639 1.263 5.425 8.983 1.00 31.33 H new ATOM 0 HG SER A 639 -0.843 4.811 8.555 1.00 65.25 H new ATOM 653 N ARG A 640 -1.180 2.708 10.322 1.00 64.12 N ATOM 654 CA ARG A 640 -2.426 2.117 10.792 1.00 13.12 C ATOM 655 C ARG A 640 -2.373 0.594 10.709 1.00 44.42 C ATOM 656 O ARG A 640 -3.403 -0.076 10.744 1.00 75.01 O ATOM 657 CB ARG A 640 -3.606 2.642 9.972 1.00 31.31 C ATOM 658 CG ARG A 640 -4.124 3.990 10.445 1.00 55.03 C ATOM 659 CD ARG A 640 -4.503 4.883 9.273 1.00 42.41 C ATOM 660 NE ARG A 640 -3.542 5.965 9.077 1.00 41.53 N ATOM 661 CZ ARG A 640 -3.499 7.056 9.835 1.00 41.04 C ATOM 662 NH1 ARG A 640 -4.356 7.208 10.834 1.00 72.21 N ATOM 663 NH2 ARG A 640 -2.595 7.996 9.594 1.00 3.50 N ATOM 0 H ARG A 640 -0.988 2.555 9.332 1.00 64.12 H new ATOM 0 HA ARG A 640 -2.562 2.402 11.835 1.00 13.12 H new ATOM 0 HB2 ARG A 640 -3.304 2.724 8.928 1.00 31.31 H new ATOM 0 HB3 ARG A 640 -4.418 1.916 10.013 1.00 31.31 H new ATOM 0 HG2 ARG A 640 -4.992 3.843 11.087 1.00 55.03 H new ATOM 0 HG3 ARG A 640 -3.361 4.483 11.048 1.00 55.03 H new ATOM 0 HD2 ARG A 640 -4.564 4.283 8.365 1.00 42.41 H new ATOM 0 HD3 ARG A 640 -5.494 5.304 9.444 1.00 42.41 H new ATOM 0 HE ARG A 640 -2.867 5.879 8.317 1.00 41.53 H new ATOM 0 HH11 ARG A 640 -5.052 6.486 11.023 1.00 72.21 H new ATOM 0 HH12 ARG A 640 -4.320 8.047 11.414 1.00 72.21 H new ATOM 0 HH21 ARG A 640 -1.933 7.882 8.827 1.00 3.50 H new ATOM 0 HH22 ARG A 640 -2.562 8.833 10.176 1.00 3.50 H new ATOM 677 N GLU A 641 -1.161 0.055 10.597 1.00 54.42 N ATOM 678 CA GLU A 641 -0.974 -1.387 10.506 1.00 71.42 C ATOM 679 C GLU A 641 -0.321 -1.932 11.773 1.00 23.34 C ATOM 680 O GLU A 641 0.894 -1.861 11.956 1.00 41.15 O ATOM 681 CB GLU A 641 -0.118 -1.737 9.287 1.00 70.43 C ATOM 682 CG GLU A 641 0.311 -3.194 9.242 1.00 34.34 C ATOM 683 CD GLU A 641 -0.140 -3.896 7.976 1.00 53.21 C ATOM 684 OE1 GLU A 641 0.359 -3.535 6.889 1.00 73.31 O ATOM 685 OE2 GLU A 641 -0.991 -4.805 8.071 1.00 23.20 O ATOM 0 H GLU A 641 -0.297 0.596 10.567 1.00 54.42 H new ATOM 0 HA GLU A 641 -1.955 -1.848 10.396 1.00 71.42 H new ATOM 0 HB2 GLU A 641 -0.678 -1.504 8.381 1.00 70.43 H new ATOM 0 HB3 GLU A 641 0.770 -1.105 9.284 1.00 70.43 H new ATOM 0 HG2 GLU A 641 1.397 -3.252 9.318 1.00 34.34 H new ATOM 0 HG3 GLU A 641 -0.097 -3.716 10.108 1.00 34.34 H new ATOM 692 N PRO A 642 -1.147 -2.489 12.671 1.00 15.21 N ATOM 693 CA PRO A 642 -0.674 -3.056 13.938 1.00 42.24 C ATOM 694 C PRO A 642 0.128 -4.337 13.734 1.00 21.53 C ATOM 695 O PRO A 642 1.049 -4.632 14.496 1.00 21.32 O ATOM 696 CB PRO A 642 -1.967 -3.350 14.701 1.00 41.51 C ATOM 697 CG PRO A 642 -2.999 -3.530 13.641 1.00 13.21 C ATOM 698 CD PRO A 642 -2.608 -2.608 12.520 1.00 5.14 C ATOM 0 HA PRO A 642 -0.000 -2.378 14.462 1.00 42.24 H new ATOM 0 HB2 PRO A 642 -1.870 -4.245 15.315 1.00 41.51 H new ATOM 0 HB3 PRO A 642 -2.226 -2.530 15.371 1.00 41.51 H new ATOM 0 HG2 PRO A 642 -3.032 -4.565 13.301 1.00 13.21 H new ATOM 0 HG3 PRO A 642 -3.992 -3.286 14.018 1.00 13.21 H new ATOM 0 HD2 PRO A 642 -2.879 -3.019 11.548 1.00 5.14 H new ATOM 0 HD3 PRO A 642 -3.101 -1.640 12.605 1.00 5.14 H new ATOM 706 N SER A 643 -0.227 -5.095 12.702 1.00 11.13 N ATOM 707 CA SER A 643 0.458 -6.347 12.401 1.00 35.33 C ATOM 708 C SER A 643 1.933 -6.101 12.099 1.00 15.43 C ATOM 709 O SER A 643 2.782 -6.955 12.354 1.00 12.21 O ATOM 710 CB SER A 643 -0.209 -7.045 11.213 1.00 5.42 C ATOM 711 OG SER A 643 -0.246 -8.448 11.401 1.00 64.30 O ATOM 0 H SER A 643 -0.985 -4.864 12.060 1.00 11.13 H new ATOM 0 HA SER A 643 0.388 -6.991 13.278 1.00 35.33 H new ATOM 0 HB2 SER A 643 -1.223 -6.665 11.086 1.00 5.42 H new ATOM 0 HB3 SER A 643 0.335 -6.812 10.298 1.00 5.42 H new ATOM 0 HG SER A 643 -0.678 -8.870 10.629 1.00 64.30 H new ATOM 717 N LEU A 644 2.229 -4.927 11.554 1.00 42.41 N ATOM 718 CA LEU A 644 3.602 -4.565 11.215 1.00 4.13 C ATOM 719 C LEU A 644 4.538 -4.819 12.393 1.00 32.21 C ATOM 720 O LEU A 644 4.568 -4.051 13.354 1.00 51.52 O ATOM 721 CB LEU A 644 3.675 -3.095 10.799 1.00 24.03 C ATOM 722 CG LEU A 644 4.397 -2.805 9.482 1.00 14.13 C ATOM 723 CD1 LEU A 644 5.880 -3.118 9.606 1.00 51.32 C ATOM 724 CD2 LEU A 644 3.774 -3.603 8.346 1.00 30.35 C ATOM 0 H LEU A 644 1.538 -4.209 11.337 1.00 42.41 H new ATOM 0 HA LEU A 644 3.921 -5.189 10.380 1.00 4.13 H new ATOM 0 HB2 LEU A 644 2.659 -2.708 10.726 1.00 24.03 H new ATOM 0 HB3 LEU A 644 4.172 -2.538 11.593 1.00 24.03 H new ATOM 0 HG LEU A 644 4.289 -1.744 9.256 1.00 14.13 H new ATOM 0 HD11 LEU A 644 6.377 -2.906 8.659 1.00 51.32 H new ATOM 0 HD12 LEU A 644 6.317 -2.502 10.392 1.00 51.32 H new ATOM 0 HD13 LEU A 644 6.010 -4.171 9.856 1.00 51.32 H new ATOM 0 HD21 LEU A 644 4.300 -3.384 7.417 1.00 30.35 H new ATOM 0 HD22 LEU A 644 3.851 -4.668 8.565 1.00 30.35 H new ATOM 0 HD23 LEU A 644 2.724 -3.329 8.242 1.00 30.35 H new ATOM 736 N LYS A 645 5.302 -5.904 12.311 1.00 40.40 N ATOM 737 CA LYS A 645 6.243 -6.258 13.367 1.00 71.44 C ATOM 738 C LYS A 645 7.677 -6.239 12.847 1.00 30.32 C ATOM 739 O LYS A 645 8.509 -7.043 13.266 1.00 61.22 O ATOM 740 CB LYS A 645 5.911 -7.643 13.928 1.00 35.24 C ATOM 741 CG LYS A 645 4.681 -7.659 14.819 1.00 32.33 C ATOM 742 CD LYS A 645 5.055 -7.819 16.283 1.00 2.21 C ATOM 743 CE LYS A 645 3.922 -8.446 17.083 1.00 4.44 C ATOM 744 NZ LYS A 645 3.982 -9.933 17.056 1.00 71.31 N ATOM 0 H LYS A 645 5.288 -6.553 11.524 1.00 40.40 H new ATOM 0 HA LYS A 645 6.154 -5.518 14.163 1.00 71.44 H new ATOM 0 HB2 LYS A 645 5.758 -8.334 13.099 1.00 35.24 H new ATOM 0 HB3 LYS A 645 6.766 -8.010 14.496 1.00 35.24 H new ATOM 0 HG2 LYS A 645 4.121 -6.733 14.685 1.00 32.33 H new ATOM 0 HG3 LYS A 645 4.024 -8.475 14.519 1.00 32.33 H new ATOM 0 HD2 LYS A 645 5.947 -8.440 16.366 1.00 2.21 H new ATOM 0 HD3 LYS A 645 5.304 -6.845 16.705 1.00 2.21 H new ATOM 0 HE2 LYS A 645 3.971 -8.099 18.115 1.00 4.44 H new ATOM 0 HE3 LYS A 645 2.965 -8.114 16.680 1.00 4.44 H new ATOM 0 HZ1 LYS A 645 3.194 -10.322 17.612 1.00 71.31 H new ATOM 0 HZ2 LYS A 645 3.910 -10.266 16.073 1.00 71.31 H new ATOM 0 HZ3 LYS A 645 4.884 -10.252 17.464 1.00 71.31 H new ATOM 758 N ASN A 646 7.958 -5.315 11.935 1.00 61.22 N ATOM 759 CA ASN A 646 9.293 -5.190 11.360 1.00 62.51 C ATOM 760 C ASN A 646 10.199 -4.358 12.262 1.00 51.23 C ATOM 761 O ASN A 646 9.926 -3.185 12.520 1.00 24.41 O ATOM 762 CB ASN A 646 9.214 -4.556 9.971 1.00 44.35 C ATOM 763 CG ASN A 646 9.644 -5.511 8.873 1.00 13.31 C ATOM 764 OD1 ASN A 646 10.830 -5.793 8.709 1.00 10.55 O ATOM 765 ND2 ASN A 646 8.676 -6.013 8.115 1.00 33.30 N ATOM 0 H ASN A 646 7.280 -4.642 11.578 1.00 61.22 H new ATOM 0 HA ASN A 646 9.719 -6.189 11.272 1.00 62.51 H new ATOM 0 HB2 ASN A 646 8.192 -4.227 9.783 1.00 44.35 H new ATOM 0 HB3 ASN A 646 9.845 -3.668 9.944 1.00 44.35 H new ATOM 0 HD21 ASN A 646 8.903 -6.661 7.360 1.00 33.30 H new ATOM 0 HD22 ASN A 646 7.705 -5.751 8.287 1.00 33.30 H new ATOM 772 N SER A 647 11.277 -4.972 12.738 1.00 25.50 N ATOM 773 CA SER A 647 12.222 -4.289 13.614 1.00 65.25 C ATOM 774 C SER A 647 12.785 -3.042 12.938 1.00 40.34 C ATOM 775 O SER A 647 13.083 -2.047 13.597 1.00 32.52 O ATOM 776 CB SER A 647 13.363 -5.232 14.002 1.00 50.24 C ATOM 777 OG SER A 647 14.354 -4.550 14.752 1.00 30.25 O ATOM 0 H SER A 647 11.518 -5.941 12.532 1.00 25.50 H new ATOM 0 HA SER A 647 11.690 -3.984 14.515 1.00 65.25 H new ATOM 0 HB2 SER A 647 12.969 -6.064 14.585 1.00 50.24 H new ATOM 0 HB3 SER A 647 13.810 -5.656 13.103 1.00 50.24 H new ATOM 0 HG SER A 647 15.072 -5.174 14.989 1.00 30.25 H new ATOM 783 N ASN A 648 12.927 -3.105 11.618 1.00 31.33 N ATOM 784 CA ASN A 648 13.455 -1.982 10.851 1.00 14.23 C ATOM 785 C ASN A 648 12.386 -1.403 9.930 1.00 15.53 C ATOM 786 O ASN A 648 11.640 -2.127 9.271 1.00 53.12 O ATOM 787 CB ASN A 648 14.668 -2.423 10.030 1.00 1.03 C ATOM 788 CG ASN A 648 14.288 -3.339 8.883 1.00 34.34 C ATOM 789 OD1 ASN A 648 14.158 -4.551 9.059 1.00 23.13 O ATOM 790 ND2 ASN A 648 14.107 -2.764 7.701 1.00 13.04 N ATOM 0 H ASN A 648 12.684 -3.922 11.057 1.00 31.33 H new ATOM 0 HA ASN A 648 13.763 -1.207 11.553 1.00 14.23 H new ATOM 0 HB2 ASN A 648 15.176 -1.543 9.635 1.00 1.03 H new ATOM 0 HB3 ASN A 648 15.377 -2.935 10.681 1.00 1.03 H new ATOM 0 HD21 ASN A 648 13.849 -3.330 6.893 1.00 13.04 H new ATOM 0 HD22 ASN A 648 14.225 -1.756 7.601 1.00 13.04 H new ATOM 797 N PRO A 649 12.309 -0.064 9.882 1.00 43.10 N ATOM 798 CA PRO A 649 11.336 0.643 9.043 1.00 2.20 C ATOM 799 C PRO A 649 11.647 0.509 7.557 1.00 55.24 C ATOM 800 O PRO A 649 10.790 0.762 6.708 1.00 21.55 O ATOM 801 CB PRO A 649 11.476 2.101 9.489 1.00 21.14 C ATOM 802 CG PRO A 649 12.863 2.200 10.027 1.00 50.13 C ATOM 803 CD PRO A 649 13.166 0.862 10.640 1.00 4.40 C ATOM 0 HA PRO A 649 10.329 0.242 9.160 1.00 2.20 H new ATOM 0 HB2 PRO A 649 11.325 2.787 8.655 1.00 21.14 H new ATOM 0 HB3 PRO A 649 10.737 2.355 10.249 1.00 21.14 H new ATOM 0 HG2 PRO A 649 13.573 2.436 9.234 1.00 50.13 H new ATOM 0 HG3 PRO A 649 12.938 2.995 10.769 1.00 50.13 H new ATOM 0 HD2 PRO A 649 14.221 0.605 10.542 1.00 4.40 H new ATOM 0 HD3 PRO A 649 12.932 0.846 11.704 1.00 4.40 H new ATOM 811 N ASP A 650 12.875 0.110 7.247 1.00 0.41 N ATOM 812 CA ASP A 650 13.298 -0.059 5.861 1.00 33.24 C ATOM 813 C ASP A 650 12.620 -1.272 5.231 1.00 12.21 C ATOM 814 O ASP A 650 12.769 -1.526 4.036 1.00 71.10 O ATOM 815 CB ASP A 650 14.817 -0.211 5.784 1.00 10.20 C ATOM 816 CG ASP A 650 15.240 -1.357 4.887 1.00 62.54 C ATOM 817 OD1 ASP A 650 15.293 -1.158 3.654 1.00 1.13 O ATOM 818 OD2 ASP A 650 15.518 -2.453 5.416 1.00 72.34 O ATOM 0 H ASP A 650 13.596 -0.103 7.937 1.00 0.41 H new ATOM 0 HA ASP A 650 13.002 0.830 5.305 1.00 33.24 H new ATOM 0 HB2 ASP A 650 15.254 0.717 5.414 1.00 10.20 H new ATOM 0 HB3 ASP A 650 15.214 -0.372 6.786 1.00 10.20 H new ATOM 823 N GLU A 651 11.877 -2.017 6.042 1.00 34.45 N ATOM 824 CA GLU A 651 11.178 -3.204 5.564 1.00 24.34 C ATOM 825 C GLU A 651 9.703 -3.161 5.953 1.00 53.22 C ATOM 826 O GLU A 651 9.362 -2.928 7.113 1.00 63.24 O ATOM 827 CB GLU A 651 11.829 -4.468 6.128 1.00 12.12 C ATOM 828 CG GLU A 651 11.091 -5.747 5.765 1.00 4.24 C ATOM 829 CD GLU A 651 11.746 -6.983 6.350 1.00 1.21 C ATOM 830 OE1 GLU A 651 12.850 -6.856 6.920 1.00 23.10 O ATOM 831 OE2 GLU A 651 11.154 -8.077 6.238 1.00 22.53 O ATOM 0 H GLU A 651 11.743 -1.820 7.034 1.00 34.45 H new ATOM 0 HA GLU A 651 11.248 -3.222 4.476 1.00 24.34 H new ATOM 0 HB2 GLU A 651 12.854 -4.533 5.762 1.00 12.12 H new ATOM 0 HB3 GLU A 651 11.883 -4.385 7.214 1.00 12.12 H new ATOM 0 HG2 GLU A 651 10.063 -5.682 6.120 1.00 4.24 H new ATOM 0 HG3 GLU A 651 11.048 -5.842 4.680 1.00 4.24 H new ATOM 838 N ILE A 652 8.833 -3.387 4.973 1.00 21.24 N ATOM 839 CA ILE A 652 7.395 -3.375 5.213 1.00 64.21 C ATOM 840 C ILE A 652 6.693 -4.455 4.397 1.00 3.13 C ATOM 841 O ILE A 652 7.085 -4.746 3.268 1.00 31.10 O ATOM 842 CB ILE A 652 6.779 -2.006 4.870 1.00 54.25 C ATOM 843 CG1 ILE A 652 5.986 -1.465 6.061 1.00 61.41 C ATOM 844 CG2 ILE A 652 5.888 -2.120 3.641 1.00 15.14 C ATOM 845 CD1 ILE A 652 5.309 -0.140 5.786 1.00 63.32 C ATOM 0 H ILE A 652 9.099 -3.580 4.007 1.00 21.24 H new ATOM 0 HA ILE A 652 7.250 -3.574 6.275 1.00 64.21 H new ATOM 0 HB ILE A 652 7.585 -1.307 4.648 1.00 54.25 H new ATOM 0 HG12 ILE A 652 5.231 -2.197 6.347 1.00 61.41 H new ATOM 0 HG13 ILE A 652 6.657 -1.351 6.912 1.00 61.41 H new ATOM 0 HG21 ILE A 652 5.459 -1.145 3.411 1.00 15.14 H new ATOM 0 HG22 ILE A 652 6.480 -2.466 2.793 1.00 15.14 H new ATOM 0 HG23 ILE A 652 5.086 -2.831 3.838 1.00 15.14 H new ATOM 0 HD11 ILE A 652 4.766 0.182 6.674 1.00 63.32 H new ATOM 0 HD12 ILE A 652 6.061 0.606 5.530 1.00 63.32 H new ATOM 0 HD13 ILE A 652 4.612 -0.253 4.956 1.00 63.32 H new ATOM 857 N GLU A 653 5.652 -5.045 4.978 1.00 44.14 N ATOM 858 CA GLU A 653 4.895 -6.092 4.304 1.00 63.33 C ATOM 859 C GLU A 653 3.418 -5.721 4.208 1.00 41.21 C ATOM 860 O GLU A 653 2.664 -5.875 5.170 1.00 44.52 O ATOM 861 CB GLU A 653 5.050 -7.423 5.044 1.00 11.35 C ATOM 862 CG GLU A 653 4.716 -8.636 4.194 1.00 70.00 C ATOM 863 CD GLU A 653 4.327 -9.842 5.026 1.00 63.20 C ATOM 864 OE1 GLU A 653 5.234 -10.500 5.578 1.00 52.22 O ATOM 865 OE2 GLU A 653 3.116 -10.129 5.125 1.00 1.40 O ATOM 0 H GLU A 653 5.315 -4.815 5.913 1.00 44.14 H new ATOM 0 HA GLU A 653 5.292 -6.197 3.294 1.00 63.33 H new ATOM 0 HB2 GLU A 653 6.076 -7.512 5.402 1.00 11.35 H new ATOM 0 HB3 GLU A 653 4.405 -7.417 5.923 1.00 11.35 H new ATOM 0 HG2 GLU A 653 3.898 -8.387 3.518 1.00 70.00 H new ATOM 0 HG3 GLU A 653 5.576 -8.889 3.574 1.00 70.00 H new ATOM 872 N ILE A 654 3.013 -5.230 3.042 1.00 53.24 N ATOM 873 CA ILE A 654 1.627 -4.836 2.820 1.00 55.11 C ATOM 874 C ILE A 654 0.807 -5.998 2.267 1.00 13.42 C ATOM 875 O ILE A 654 1.086 -6.506 1.181 1.00 23.31 O ATOM 876 CB ILE A 654 1.528 -3.645 1.848 1.00 23.32 C ATOM 877 CG1 ILE A 654 1.497 -2.327 2.625 1.00 70.04 C ATOM 878 CG2 ILE A 654 0.293 -3.778 0.971 1.00 71.15 C ATOM 879 CD1 ILE A 654 2.866 -1.722 2.843 1.00 3.23 C ATOM 0 H ILE A 654 3.624 -5.095 2.237 1.00 53.24 H new ATOM 0 HA ILE A 654 1.225 -4.538 3.788 1.00 55.11 H new ATOM 0 HB ILE A 654 2.408 -3.646 1.204 1.00 23.32 H new ATOM 0 HG12 ILE A 654 0.874 -1.612 2.087 1.00 70.04 H new ATOM 0 HG13 ILE A 654 1.025 -2.496 3.593 1.00 70.04 H new ATOM 0 HG21 ILE A 654 0.237 -2.929 0.290 1.00 71.15 H new ATOM 0 HG22 ILE A 654 0.353 -4.702 0.395 1.00 71.15 H new ATOM 0 HG23 ILE A 654 -0.598 -3.799 1.598 1.00 71.15 H new ATOM 0 HD11 ILE A 654 2.768 -0.790 3.400 1.00 3.23 H new ATOM 0 HD12 ILE A 654 3.486 -2.418 3.408 1.00 3.23 H new ATOM 0 HD13 ILE A 654 3.333 -1.521 1.879 1.00 3.23 H new ATOM 891 N ASP A 655 -0.206 -6.410 3.020 1.00 53.32 N ATOM 892 CA ASP A 655 -1.070 -7.509 2.604 1.00 24.04 C ATOM 893 C ASP A 655 -2.540 -7.128 2.742 1.00 31.12 C ATOM 894 O ASP A 655 -3.111 -7.197 3.831 1.00 40.32 O ATOM 895 CB ASP A 655 -0.774 -8.760 3.435 1.00 14.14 C ATOM 896 CG ASP A 655 0.350 -8.543 4.428 1.00 1.34 C ATOM 897 OD1 ASP A 655 1.501 -8.343 3.987 1.00 0.03 O ATOM 898 OD2 ASP A 655 0.080 -8.573 5.647 1.00 14.34 O ATOM 0 H ASP A 655 -0.450 -6.000 3.922 1.00 53.32 H new ATOM 0 HA ASP A 655 -0.866 -7.722 1.555 1.00 24.04 H new ATOM 0 HB2 ASP A 655 -1.675 -9.058 3.970 1.00 14.14 H new ATOM 0 HB3 ASP A 655 -0.512 -9.582 2.768 1.00 14.14 H new ATOM 903 N PHE A 656 -3.147 -6.723 1.631 1.00 32.54 N ATOM 904 CA PHE A 656 -4.551 -6.328 1.628 1.00 61.43 C ATOM 905 C PHE A 656 -5.438 -7.467 2.122 1.00 31.51 C ATOM 906 O PHE A 656 -6.514 -7.236 2.672 1.00 74.03 O ATOM 907 CB PHE A 656 -4.981 -5.906 0.221 1.00 3.42 C ATOM 908 CG PHE A 656 -4.087 -4.866 -0.391 1.00 51.23 C ATOM 909 CD1 PHE A 656 -3.411 -3.957 0.407 1.00 32.03 C ATOM 910 CD2 PHE A 656 -3.924 -4.796 -1.765 1.00 50.33 C ATOM 911 CE1 PHE A 656 -2.589 -2.998 -0.153 1.00 22.11 C ATOM 912 CE2 PHE A 656 -3.101 -3.840 -2.331 1.00 75.22 C ATOM 913 CZ PHE A 656 -2.434 -2.940 -1.525 1.00 12.44 C ATOM 0 H PHE A 656 -2.689 -6.660 0.722 1.00 32.54 H new ATOM 0 HA PHE A 656 -4.666 -5.482 2.305 1.00 61.43 H new ATOM 0 HB2 PHE A 656 -4.998 -6.784 -0.424 1.00 3.42 H new ATOM 0 HB3 PHE A 656 -6.000 -5.520 0.261 1.00 3.42 H new ATOM 0 HD1 PHE A 656 -3.528 -3.999 1.480 1.00 32.03 H new ATOM 0 HD2 PHE A 656 -4.446 -5.496 -2.401 1.00 50.33 H new ATOM 0 HE1 PHE A 656 -2.069 -2.295 0.480 1.00 22.11 H new ATOM 0 HE2 PHE A 656 -2.980 -3.798 -3.403 1.00 75.22 H new ATOM 0 HZ PHE A 656 -1.792 -2.192 -1.966 1.00 12.44 H new ATOM 923 N GLU A 657 -4.976 -8.698 1.923 1.00 54.05 N ATOM 924 CA GLU A 657 -5.728 -9.873 2.346 1.00 32.45 C ATOM 925 C GLU A 657 -6.147 -9.754 3.809 1.00 45.42 C ATOM 926 O GLU A 657 -7.186 -10.275 4.215 1.00 41.22 O ATOM 927 CB GLU A 657 -4.894 -11.140 2.145 1.00 23.14 C ATOM 928 CG GLU A 657 -5.562 -12.399 2.671 1.00 75.11 C ATOM 929 CD GLU A 657 -4.922 -12.911 3.946 1.00 32.12 C ATOM 930 OE1 GLU A 657 -3.677 -12.891 4.033 1.00 24.41 O ATOM 931 OE2 GLU A 657 -5.666 -13.332 4.857 1.00 31.02 O ATOM 0 H GLU A 657 -4.085 -8.907 1.472 1.00 54.05 H new ATOM 0 HA GLU A 657 -6.627 -9.937 1.732 1.00 32.45 H new ATOM 0 HB2 GLU A 657 -4.689 -11.265 1.082 1.00 23.14 H new ATOM 0 HB3 GLU A 657 -3.932 -11.014 2.642 1.00 23.14 H new ATOM 0 HG2 GLU A 657 -6.617 -12.196 2.855 1.00 75.11 H new ATOM 0 HG3 GLU A 657 -5.515 -13.176 1.908 1.00 75.11 H new ATOM 938 N THR A 658 -5.328 -9.063 4.597 1.00 72.30 N ATOM 939 CA THR A 658 -5.611 -8.875 6.014 1.00 11.14 C ATOM 940 C THR A 658 -5.765 -7.397 6.354 1.00 62.22 C ATOM 941 O THR A 658 -6.434 -7.038 7.324 1.00 64.00 O ATOM 942 CB THR A 658 -4.498 -9.479 6.893 1.00 15.14 C ATOM 943 OG1 THR A 658 -4.845 -9.351 8.278 1.00 45.14 O ATOM 944 CG2 THR A 658 -3.169 -8.788 6.633 1.00 21.23 C ATOM 0 H THR A 658 -4.464 -8.625 4.277 1.00 72.30 H new ATOM 0 HA THR A 658 -6.549 -9.391 6.220 1.00 11.14 H new ATOM 0 HB THR A 658 -4.397 -10.534 6.639 1.00 15.14 H new ATOM 0 HG1 THR A 658 -4.134 -9.738 8.830 1.00 45.14 H new ATOM 0 HG21 THR A 658 -2.399 -9.231 7.264 1.00 21.23 H new ATOM 0 HG22 THR A 658 -2.894 -8.911 5.585 1.00 21.23 H new ATOM 0 HG23 THR A 658 -3.260 -7.726 6.862 1.00 21.23 H new ATOM 952 N LEU A 659 -5.143 -6.543 5.549 1.00 51.51 N ATOM 953 CA LEU A 659 -5.212 -5.101 5.763 1.00 41.03 C ATOM 954 C LEU A 659 -6.661 -4.625 5.799 1.00 15.32 C ATOM 955 O LEU A 659 -7.547 -5.250 5.217 1.00 61.25 O ATOM 956 CB LEU A 659 -4.449 -4.364 4.661 1.00 63.53 C ATOM 957 CG LEU A 659 -3.588 -3.184 5.114 1.00 61.43 C ATOM 958 CD1 LEU A 659 -2.302 -3.679 5.757 1.00 53.31 C ATOM 959 CD2 LEU A 659 -3.281 -2.266 3.939 1.00 31.41 C ATOM 0 H LEU A 659 -4.585 -6.823 4.742 1.00 51.51 H new ATOM 0 HA LEU A 659 -4.751 -4.879 6.726 1.00 41.03 H new ATOM 0 HB2 LEU A 659 -3.807 -5.081 4.149 1.00 63.53 H new ATOM 0 HB3 LEU A 659 -5.170 -4.002 3.928 1.00 63.53 H new ATOM 0 HG LEU A 659 -4.146 -2.615 5.857 1.00 61.43 H new ATOM 0 HD11 LEU A 659 -1.702 -2.826 6.073 1.00 53.31 H new ATOM 0 HD12 LEU A 659 -2.542 -4.295 6.624 1.00 53.31 H new ATOM 0 HD13 LEU A 659 -1.739 -4.271 5.036 1.00 53.31 H new ATOM 0 HD21 LEU A 659 -2.668 -1.432 4.280 1.00 31.41 H new ATOM 0 HD22 LEU A 659 -2.742 -2.824 3.173 1.00 31.41 H new ATOM 0 HD23 LEU A 659 -4.213 -1.884 3.522 1.00 31.41 H new ATOM 971 N LYS A 660 -6.895 -3.512 6.486 1.00 11.41 N ATOM 972 CA LYS A 660 -8.236 -2.948 6.597 1.00 3.41 C ATOM 973 C LYS A 660 -8.519 -1.990 5.444 1.00 32.12 C ATOM 974 O LYS A 660 -7.609 -1.486 4.786 1.00 33.30 O ATOM 975 CB LYS A 660 -8.395 -2.218 7.932 1.00 42.24 C ATOM 976 CG LYS A 660 -8.931 -3.099 9.047 1.00 14.23 C ATOM 977 CD LYS A 660 -9.330 -2.279 10.262 1.00 1.53 C ATOM 978 CE LYS A 660 -8.606 -2.750 11.514 1.00 53.01 C ATOM 979 NZ LYS A 660 -9.381 -2.448 12.750 1.00 72.43 N ATOM 0 H LYS A 660 -6.173 -2.982 6.975 1.00 11.41 H new ATOM 0 HA LYS A 660 -8.954 -3.767 6.551 1.00 3.41 H new ATOM 0 HB2 LYS A 660 -7.429 -1.814 8.233 1.00 42.24 H new ATOM 0 HB3 LYS A 660 -9.067 -1.370 7.795 1.00 42.24 H new ATOM 0 HG2 LYS A 660 -9.793 -3.660 8.686 1.00 14.23 H new ATOM 0 HG3 LYS A 660 -8.173 -3.828 9.332 1.00 14.23 H new ATOM 0 HD2 LYS A 660 -9.104 -1.228 10.083 1.00 1.53 H new ATOM 0 HD3 LYS A 660 -10.407 -2.352 10.414 1.00 1.53 H new ATOM 0 HE2 LYS A 660 -8.430 -3.824 11.449 1.00 53.01 H new ATOM 0 HE3 LYS A 660 -7.629 -2.269 11.571 1.00 53.01 H new ATOM 0 HZ1 LYS A 660 -8.854 -2.785 13.581 1.00 72.43 H new ATOM 0 HZ2 LYS A 660 -9.528 -1.421 12.826 1.00 72.43 H new ATOM 0 HZ3 LYS A 660 -10.303 -2.927 12.707 1.00 72.43 H new ATOM 993 N PRO A 661 -9.811 -1.731 5.194 1.00 43.14 N ATOM 994 CA PRO A 661 -10.245 -0.830 4.121 1.00 64.41 C ATOM 995 C PRO A 661 -9.908 0.627 4.417 1.00 31.04 C ATOM 996 O PRO A 661 -9.554 1.388 3.516 1.00 12.13 O ATOM 997 CB PRO A 661 -11.761 -1.032 4.080 1.00 44.44 C ATOM 998 CG PRO A 661 -12.120 -1.489 5.451 1.00 32.35 C ATOM 999 CD PRO A 661 -10.949 -2.297 5.938 1.00 3.11 C ATOM 0 HA PRO A 661 -9.747 -1.050 3.177 1.00 64.41 H new ATOM 0 HB2 PRO A 661 -12.277 -0.107 3.824 1.00 44.44 H new ATOM 0 HB3 PRO A 661 -12.042 -1.772 3.330 1.00 44.44 H new ATOM 0 HG2 PRO A 661 -12.309 -0.640 6.108 1.00 32.35 H new ATOM 0 HG3 PRO A 661 -13.030 -2.090 5.437 1.00 32.35 H new ATOM 0 HD2 PRO A 661 -10.813 -2.199 7.015 1.00 3.11 H new ATOM 0 HD3 PRO A 661 -11.078 -3.359 5.728 1.00 3.11 H new ATOM 1007 N SER A 662 -10.020 1.010 5.685 1.00 2.13 N ATOM 1008 CA SER A 662 -9.731 2.378 6.099 1.00 40.22 C ATOM 1009 C SER A 662 -8.357 2.817 5.602 1.00 24.12 C ATOM 1010 O SER A 662 -8.209 3.887 5.011 1.00 61.30 O ATOM 1011 CB SER A 662 -9.798 2.497 7.623 1.00 2.52 C ATOM 1012 OG SER A 662 -9.364 3.776 8.054 1.00 70.10 O ATOM 0 H SER A 662 -10.309 0.392 6.443 1.00 2.13 H new ATOM 0 HA SER A 662 -10.483 3.032 5.658 1.00 40.22 H new ATOM 0 HB2 SER A 662 -10.820 2.324 7.960 1.00 2.52 H new ATOM 0 HB3 SER A 662 -9.177 1.726 8.079 1.00 2.52 H new ATOM 0 HG SER A 662 -9.418 3.828 9.031 1.00 70.10 H new ATOM 1018 N THR A 663 -7.352 1.982 5.848 1.00 4.43 N ATOM 1019 CA THR A 663 -5.989 2.282 5.428 1.00 2.34 C ATOM 1020 C THR A 663 -5.820 2.085 3.926 1.00 70.14 C ATOM 1021 O THR A 663 -5.266 2.942 3.235 1.00 23.34 O ATOM 1022 CB THR A 663 -4.965 1.400 6.168 1.00 1.54 C ATOM 1023 OG1 THR A 663 -5.047 1.635 7.578 1.00 11.23 O ATOM 1024 CG2 THR A 663 -3.552 1.687 5.683 1.00 71.22 C ATOM 0 H THR A 663 -7.457 1.093 6.336 1.00 4.43 H new ATOM 0 HA THR A 663 -5.805 3.327 5.678 1.00 2.34 H new ATOM 0 HB THR A 663 -5.199 0.356 5.958 1.00 1.54 H new ATOM 0 HG1 THR A 663 -4.515 0.963 8.053 1.00 11.23 H new ATOM 0 HG21 THR A 663 -2.847 1.052 6.220 1.00 71.22 H new ATOM 0 HG22 THR A 663 -3.485 1.481 4.615 1.00 71.22 H new ATOM 0 HG23 THR A 663 -3.310 2.734 5.866 1.00 71.22 H new ATOM 1032 N LEU A 664 -6.301 0.953 3.425 1.00 24.21 N ATOM 1033 CA LEU A 664 -6.204 0.643 2.003 1.00 43.54 C ATOM 1034 C LEU A 664 -6.741 1.794 1.157 1.00 22.15 C ATOM 1035 O LEU A 664 -6.033 2.337 0.309 1.00 11.00 O ATOM 1036 CB LEU A 664 -6.974 -0.640 1.686 1.00 13.35 C ATOM 1037 CG LEU A 664 -6.125 -1.883 1.416 1.00 14.11 C ATOM 1038 CD1 LEU A 664 -6.741 -3.104 2.083 1.00 62.42 C ATOM 1039 CD2 LEU A 664 -5.973 -2.110 -0.080 1.00 53.14 C ATOM 0 H LEU A 664 -6.762 0.234 3.983 1.00 24.21 H new ATOM 0 HA LEU A 664 -5.152 0.497 1.760 1.00 43.54 H new ATOM 0 HB2 LEU A 664 -7.642 -0.855 2.520 1.00 13.35 H new ATOM 0 HB3 LEU A 664 -7.602 -0.457 0.814 1.00 13.35 H new ATOM 0 HG LEU A 664 -5.134 -1.723 1.841 1.00 14.11 H new ATOM 0 HD11 LEU A 664 -6.124 -3.979 1.880 1.00 62.42 H new ATOM 0 HD12 LEU A 664 -6.798 -2.941 3.159 1.00 62.42 H new ATOM 0 HD13 LEU A 664 -7.744 -3.268 1.688 1.00 62.42 H new ATOM 0 HD21 LEU A 664 -5.366 -2.999 -0.253 1.00 53.14 H new ATOM 0 HD22 LEU A 664 -6.957 -2.249 -0.529 1.00 53.14 H new ATOM 0 HD23 LEU A 664 -5.487 -1.245 -0.532 1.00 53.14 H new ATOM 1051 N ARG A 665 -7.996 2.161 1.395 1.00 24.15 N ATOM 1052 CA ARG A 665 -8.627 3.248 0.656 1.00 35.45 C ATOM 1053 C ARG A 665 -7.839 4.544 0.816 1.00 21.13 C ATOM 1054 O ARG A 665 -7.741 5.340 -0.117 1.00 10.33 O ATOM 1055 CB ARG A 665 -10.066 3.451 1.136 1.00 21.24 C ATOM 1056 CG ARG A 665 -10.862 4.421 0.279 1.00 31.20 C ATOM 1057 CD ARG A 665 -11.231 5.675 1.055 1.00 14.24 C ATOM 1058 NE ARG A 665 -12.206 6.494 0.340 1.00 72.14 N ATOM 1059 CZ ARG A 665 -12.876 7.495 0.898 1.00 12.31 C ATOM 1060 NH1 ARG A 665 -12.678 7.801 2.173 1.00 21.40 N ATOM 1061 NH2 ARG A 665 -13.748 8.195 0.182 1.00 43.12 N ATOM 0 H ARG A 665 -8.596 1.722 2.093 1.00 24.15 H new ATOM 0 HA ARG A 665 -8.637 2.978 -0.400 1.00 35.45 H new ATOM 0 HB2 ARG A 665 -10.575 2.487 1.148 1.00 21.24 H new ATOM 0 HB3 ARG A 665 -10.050 3.816 2.163 1.00 21.24 H new ATOM 0 HG2 ARG A 665 -10.279 4.694 -0.600 1.00 31.20 H new ATOM 0 HG3 ARG A 665 -11.769 3.933 -0.079 1.00 31.20 H new ATOM 0 HD2 ARG A 665 -11.637 5.394 2.027 1.00 14.24 H new ATOM 0 HD3 ARG A 665 -10.332 6.263 1.243 1.00 14.24 H new ATOM 0 HE ARG A 665 -12.382 6.285 -0.643 1.00 72.14 H new ATOM 0 HH11 ARG A 665 -12.009 7.267 2.728 1.00 21.40 H new ATOM 0 HH12 ARG A 665 -13.194 8.571 2.599 1.00 21.40 H new ATOM 0 HH21 ARG A 665 -13.904 7.964 -0.799 1.00 43.12 H new ATOM 0 HH22 ARG A 665 -14.262 8.964 0.613 1.00 43.12 H new ATOM 1075 N GLU A 666 -7.279 4.747 2.005 1.00 43.12 N ATOM 1076 CA GLU A 666 -6.499 5.947 2.286 1.00 54.42 C ATOM 1077 C GLU A 666 -5.348 6.094 1.294 1.00 13.31 C ATOM 1078 O GLU A 666 -4.966 7.207 0.931 1.00 64.03 O ATOM 1079 CB GLU A 666 -5.954 5.905 3.715 1.00 12.02 C ATOM 1080 CG GLU A 666 -6.227 7.173 4.508 1.00 62.35 C ATOM 1081 CD GLU A 666 -7.130 6.931 5.701 1.00 75.13 C ATOM 1082 OE1 GLU A 666 -6.829 6.022 6.500 1.00 23.14 O ATOM 1083 OE2 GLU A 666 -8.142 7.653 5.834 1.00 44.02 O ATOM 0 H GLU A 666 -7.351 4.097 2.788 1.00 43.12 H new ATOM 0 HA GLU A 666 -7.157 6.809 2.181 1.00 54.42 H new ATOM 0 HB2 GLU A 666 -6.395 5.057 4.239 1.00 12.02 H new ATOM 0 HB3 GLU A 666 -4.878 5.733 3.680 1.00 12.02 H new ATOM 0 HG2 GLU A 666 -5.282 7.593 4.852 1.00 62.35 H new ATOM 0 HG3 GLU A 666 -6.686 7.914 3.854 1.00 62.35 H new ATOM 1090 N LEU A 667 -4.801 4.963 0.862 1.00 12.21 N ATOM 1091 CA LEU A 667 -3.693 4.964 -0.087 1.00 41.40 C ATOM 1092 C LEU A 667 -4.155 5.436 -1.463 1.00 22.44 C ATOM 1093 O LEU A 667 -3.583 6.363 -2.036 1.00 31.52 O ATOM 1094 CB LEU A 667 -3.085 3.565 -0.193 1.00 2.20 C ATOM 1095 CG LEU A 667 -3.018 2.762 1.108 1.00 52.41 C ATOM 1096 CD1 LEU A 667 -2.198 1.497 0.912 1.00 11.22 C ATOM 1097 CD2 LEU A 667 -2.434 3.611 2.228 1.00 32.03 C ATOM 0 H LEU A 667 -5.106 4.034 1.153 1.00 12.21 H new ATOM 0 HA LEU A 667 -2.934 5.656 0.279 1.00 41.40 H new ATOM 0 HB2 LEU A 667 -3.662 2.994 -0.920 1.00 2.20 H new ATOM 0 HB3 LEU A 667 -2.075 3.659 -0.591 1.00 2.20 H new ATOM 0 HG LEU A 667 -4.031 2.473 1.388 1.00 52.41 H new ATOM 0 HD11 LEU A 667 -2.161 0.939 1.847 1.00 11.22 H new ATOM 0 HD12 LEU A 667 -2.658 0.881 0.140 1.00 11.22 H new ATOM 0 HD13 LEU A 667 -1.186 1.763 0.608 1.00 11.22 H new ATOM 0 HD21 LEU A 667 -2.394 3.025 3.146 1.00 32.03 H new ATOM 0 HD22 LEU A 667 -1.428 3.929 1.956 1.00 32.03 H new ATOM 0 HD23 LEU A 667 -3.062 4.488 2.385 1.00 32.03 H new ATOM 1109 N GLU A 668 -5.194 4.792 -1.985 1.00 64.13 N ATOM 1110 CA GLU A 668 -5.732 5.147 -3.293 1.00 71.40 C ATOM 1111 C GLU A 668 -6.024 6.643 -3.374 1.00 63.14 C ATOM 1112 O GLU A 668 -5.941 7.245 -4.445 1.00 33.21 O ATOM 1113 CB GLU A 668 -7.009 4.352 -3.577 1.00 21.32 C ATOM 1114 CG GLU A 668 -7.507 4.490 -5.005 1.00 41.00 C ATOM 1115 CD GLU A 668 -8.940 4.982 -5.079 1.00 42.12 C ATOM 1116 OE1 GLU A 668 -9.730 4.646 -4.172 1.00 0.43 O ATOM 1117 OE2 GLU A 668 -9.269 5.703 -6.044 1.00 55.10 O ATOM 0 H GLU A 668 -5.679 4.023 -1.523 1.00 64.13 H new ATOM 0 HA GLU A 668 -4.983 4.899 -4.045 1.00 71.40 H new ATOM 0 HB2 GLU A 668 -6.826 3.299 -3.365 1.00 21.32 H new ATOM 0 HB3 GLU A 668 -7.792 4.683 -2.895 1.00 21.32 H new ATOM 0 HG2 GLU A 668 -6.861 5.182 -5.546 1.00 41.00 H new ATOM 0 HG3 GLU A 668 -7.432 3.525 -5.507 1.00 41.00 H new ATOM 1124 N ARG A 669 -6.364 7.236 -2.234 1.00 43.21 N ATOM 1125 CA ARG A 669 -6.669 8.661 -2.175 1.00 62.34 C ATOM 1126 C ARG A 669 -5.398 9.494 -2.310 1.00 72.14 C ATOM 1127 O ARG A 669 -5.409 10.568 -2.913 1.00 62.53 O ATOM 1128 CB ARG A 669 -7.376 8.999 -0.862 1.00 71.24 C ATOM 1129 CG ARG A 669 -8.706 9.711 -1.052 1.00 43.33 C ATOM 1130 CD ARG A 669 -8.920 10.781 0.006 1.00 51.20 C ATOM 1131 NE ARG A 669 -10.321 11.182 0.103 1.00 12.43 N ATOM 1132 CZ ARG A 669 -10.799 11.952 1.075 1.00 72.20 C ATOM 1133 NH1 ARG A 669 -9.993 12.402 2.026 1.00 11.11 N ATOM 1134 NH2 ARG A 669 -12.086 12.273 1.095 1.00 13.44 N ATOM 0 H ARG A 669 -6.435 6.752 -1.339 1.00 43.21 H new ATOM 0 HA ARG A 669 -7.331 8.901 -3.008 1.00 62.34 H new ATOM 0 HB2 ARG A 669 -7.543 8.079 -0.302 1.00 71.24 H new ATOM 0 HB3 ARG A 669 -6.721 9.626 -0.257 1.00 71.24 H new ATOM 0 HG2 ARG A 669 -8.739 10.165 -2.042 1.00 43.33 H new ATOM 0 HG3 ARG A 669 -9.518 8.985 -1.007 1.00 43.33 H new ATOM 0 HD2 ARG A 669 -8.582 10.408 0.973 1.00 51.20 H new ATOM 0 HD3 ARG A 669 -8.309 11.652 -0.231 1.00 51.20 H new ATOM 0 HE ARG A 669 -10.968 10.853 -0.614 1.00 12.43 H new ATOM 0 HH11 ARG A 669 -9.003 12.158 2.013 1.00 11.11 H new ATOM 0 HH12 ARG A 669 -10.363 12.993 2.771 1.00 11.11 H new ATOM 0 HH21 ARG A 669 -12.709 11.929 0.364 1.00 13.44 H new ATOM 0 HH22 ARG A 669 -12.453 12.864 1.841 1.00 13.44 H new ATOM 1148 N TYR A 670 -4.305 8.993 -1.746 1.00 2.21 N ATOM 1149 CA TYR A 670 -3.027 9.693 -1.800 1.00 54.15 C ATOM 1150 C TYR A 670 -2.351 9.488 -3.153 1.00 4.23 C ATOM 1151 O TYR A 670 -1.922 10.445 -3.797 1.00 54.11 O ATOM 1152 CB TYR A 670 -2.108 9.207 -0.679 1.00 4.20 C ATOM 1153 CG TYR A 670 -2.042 10.149 0.502 1.00 30.01 C ATOM 1154 CD1 TYR A 670 -3.197 10.716 1.028 1.00 64.12 C ATOM 1155 CD2 TYR A 670 -0.827 10.473 1.091 1.00 42.10 C ATOM 1156 CE1 TYR A 670 -3.143 11.577 2.106 1.00 5.51 C ATOM 1157 CE2 TYR A 670 -0.763 11.333 2.170 1.00 12.24 C ATOM 1158 CZ TYR A 670 -1.923 11.883 2.674 1.00 22.11 C ATOM 1159 OH TYR A 670 -1.863 12.740 3.748 1.00 14.22 O ATOM 0 H TYR A 670 -4.278 8.104 -1.246 1.00 2.21 H new ATOM 0 HA TYR A 670 -3.218 10.758 -1.667 1.00 54.15 H new ATOM 0 HB2 TYR A 670 -2.452 8.231 -0.336 1.00 4.20 H new ATOM 0 HB3 TYR A 670 -1.103 9.068 -1.079 1.00 4.20 H new ATOM 0 HD1 TYR A 670 -4.153 10.479 0.586 1.00 64.12 H new ATOM 0 HD2 TYR A 670 0.084 10.045 0.699 1.00 42.10 H new ATOM 0 HE1 TYR A 670 -4.050 12.009 2.502 1.00 5.51 H new ATOM 0 HE2 TYR A 670 0.190 11.573 2.617 1.00 12.24 H new ATOM 0 HH TYR A 670 -0.930 12.848 4.028 1.00 14.22 H new ATOM 1169 N VAL A 671 -2.260 8.232 -3.577 1.00 23.23 N ATOM 1170 CA VAL A 671 -1.638 7.899 -4.853 1.00 1.32 C ATOM 1171 C VAL A 671 -2.247 8.711 -5.989 1.00 72.33 C ATOM 1172 O VAL A 671 -1.566 9.059 -6.955 1.00 1.15 O ATOM 1173 CB VAL A 671 -1.780 6.399 -5.173 1.00 14.54 C ATOM 1174 CG1 VAL A 671 -3.220 6.065 -5.537 1.00 2.51 C ATOM 1175 CG2 VAL A 671 -0.832 6.001 -6.294 1.00 15.24 C ATOM 0 H VAL A 671 -2.609 7.428 -3.056 1.00 23.23 H new ATOM 0 HA VAL A 671 -0.580 8.144 -4.763 1.00 1.32 H new ATOM 0 HB VAL A 671 -1.513 5.828 -4.283 1.00 14.54 H new ATOM 0 HG11 VAL A 671 -3.302 5.001 -5.760 1.00 2.51 H new ATOM 0 HG12 VAL A 671 -3.873 6.311 -4.700 1.00 2.51 H new ATOM 0 HG13 VAL A 671 -3.518 6.643 -6.412 1.00 2.51 H new ATOM 0 HG21 VAL A 671 -0.946 4.938 -6.507 1.00 15.24 H new ATOM 0 HG22 VAL A 671 -1.065 6.577 -7.189 1.00 15.24 H new ATOM 0 HG23 VAL A 671 0.195 6.202 -5.990 1.00 15.24 H new ATOM 1185 N THR A 672 -3.538 9.010 -5.870 1.00 63.10 N ATOM 1186 CA THR A 672 -4.240 9.780 -6.887 1.00 54.34 C ATOM 1187 C THR A 672 -3.820 11.245 -6.857 1.00 64.02 C ATOM 1188 O THR A 672 -3.567 11.850 -7.899 1.00 63.43 O ATOM 1189 CB THR A 672 -5.768 9.693 -6.702 1.00 40.34 C ATOM 1190 OG1 THR A 672 -6.200 8.334 -6.831 1.00 5.20 O ATOM 1191 CG2 THR A 672 -6.487 10.558 -7.727 1.00 30.25 C ATOM 0 H THR A 672 -4.117 8.730 -5.079 1.00 63.10 H new ATOM 0 HA THR A 672 -3.971 9.348 -7.851 1.00 54.34 H new ATOM 0 HB THR A 672 -6.013 10.059 -5.705 1.00 40.34 H new ATOM 0 HG1 THR A 672 -6.106 7.878 -5.969 1.00 5.20 H new ATOM 0 HG21 THR A 672 -7.564 10.481 -7.577 1.00 30.25 H new ATOM 0 HG22 THR A 672 -6.178 11.596 -7.608 1.00 30.25 H new ATOM 0 HG23 THR A 672 -6.235 10.217 -8.731 1.00 30.25 H new ATOM 1199 N SER A 673 -3.745 11.810 -5.657 1.00 31.12 N ATOM 1200 CA SER A 673 -3.357 13.206 -5.491 1.00 10.01 C ATOM 1201 C SER A 673 -1.921 13.429 -5.953 1.00 42.13 C ATOM 1202 O SER A 673 -1.582 14.495 -6.469 1.00 72.33 O ATOM 1203 CB SER A 673 -3.505 13.628 -4.028 1.00 15.31 C ATOM 1204 OG SER A 673 -2.249 13.646 -3.373 1.00 31.35 O ATOM 0 H SER A 673 -3.948 11.322 -4.784 1.00 31.12 H new ATOM 0 HA SER A 673 -4.018 13.817 -6.107 1.00 10.01 H new ATOM 0 HB2 SER A 673 -3.960 14.617 -3.976 1.00 15.31 H new ATOM 0 HB3 SER A 673 -4.177 12.941 -3.514 1.00 15.31 H new ATOM 0 HG SER A 673 -1.873 12.741 -3.362 1.00 31.35 H new ATOM 1210 N CYS A 674 -1.082 12.417 -5.765 1.00 32.12 N ATOM 1211 CA CYS A 674 0.320 12.502 -6.162 1.00 73.55 C ATOM 1212 C CYS A 674 0.484 12.185 -7.646 1.00 12.44 C ATOM 1213 O CYS A 674 1.220 12.869 -8.358 1.00 62.54 O ATOM 1214 CB CYS A 674 1.167 11.540 -5.327 1.00 72.43 C ATOM 1215 SG CYS A 674 1.689 12.212 -3.732 1.00 3.54 S ATOM 0 H CYS A 674 -1.347 11.528 -5.340 1.00 32.12 H new ATOM 0 HA CYS A 674 0.661 13.522 -5.986 1.00 73.55 H new ATOM 0 HB2 CYS A 674 0.598 10.626 -5.156 1.00 72.43 H new ATOM 0 HB3 CYS A 674 2.052 11.261 -5.899 1.00 72.43 H new ATOM 0 HG CYS A 674 2.397 11.325 -3.098 1.00 3.54 H new ATOM 1221 N LEU A 675 -0.205 11.146 -8.104 1.00 42.11 N ATOM 1222 CA LEU A 675 -0.133 10.739 -9.503 1.00 33.11 C ATOM 1223 C LEU A 675 -0.776 11.785 -10.408 1.00 62.34 C ATOM 1224 O LEU A 675 -0.392 11.935 -11.568 1.00 13.20 O ATOM 1225 CB LEU A 675 -0.824 9.388 -9.696 1.00 71.25 C ATOM 1226 CG LEU A 675 -0.615 8.715 -11.053 1.00 23.42 C ATOM 1227 CD1 LEU A 675 -1.509 9.349 -12.107 1.00 50.55 C ATOM 1228 CD2 LEU A 675 0.846 8.798 -11.470 1.00 44.51 C ATOM 0 H LEU A 675 -0.819 10.570 -7.528 1.00 42.11 H new ATOM 0 HA LEU A 675 0.918 10.646 -9.776 1.00 33.11 H new ATOM 0 HB2 LEU A 675 -0.474 8.709 -8.918 1.00 71.25 H new ATOM 0 HB3 LEU A 675 -1.894 9.525 -9.542 1.00 71.25 H new ATOM 0 HG LEU A 675 -0.887 7.663 -10.961 1.00 23.42 H new ATOM 0 HD11 LEU A 675 -1.346 8.857 -13.066 1.00 50.55 H new ATOM 0 HD12 LEU A 675 -2.553 9.237 -11.814 1.00 50.55 H new ATOM 0 HD13 LEU A 675 -1.270 10.409 -12.198 1.00 50.55 H new ATOM 0 HD21 LEU A 675 0.976 8.314 -12.438 1.00 44.51 H new ATOM 0 HD22 LEU A 675 1.144 9.844 -11.544 1.00 44.51 H new ATOM 0 HD23 LEU A 675 1.466 8.296 -10.727 1.00 44.51 H new ATOM 1240 N ARG A 676 -1.753 12.506 -9.869 1.00 53.20 N ATOM 1241 CA ARG A 676 -2.447 13.540 -10.628 1.00 73.30 C ATOM 1242 C ARG A 676 -2.376 14.884 -9.909 1.00 61.15 C ATOM 1243 O ARG A 676 -1.615 15.769 -10.300 1.00 0.34 O ATOM 1244 CB ARG A 676 -3.909 13.145 -10.849 1.00 24.23 C ATOM 1245 CG ARG A 676 -4.178 12.548 -12.220 1.00 72.21 C ATOM 1246 CD ARG A 676 -4.838 13.557 -13.147 1.00 75.24 C ATOM 1247 NE ARG A 676 -3.896 14.571 -13.612 1.00 23.22 N ATOM 1248 CZ ARG A 676 -2.983 14.351 -14.552 1.00 12.10 C ATOM 1249 NH1 ARG A 676 -2.890 13.159 -15.123 1.00 65.42 N ATOM 1250 NH2 ARG A 676 -2.162 15.325 -14.921 1.00 25.13 N ATOM 0 H ARG A 676 -2.082 12.394 -8.910 1.00 53.20 H new ATOM 0 HA ARG A 676 -1.953 13.638 -11.595 1.00 73.30 H new ATOM 0 HB2 ARG A 676 -4.201 12.425 -10.085 1.00 24.23 H new ATOM 0 HB3 ARG A 676 -4.538 14.025 -10.715 1.00 24.23 H new ATOM 0 HG2 ARG A 676 -3.241 12.207 -12.660 1.00 72.21 H new ATOM 0 HG3 ARG A 676 -4.819 11.673 -12.117 1.00 72.21 H new ATOM 0 HD2 ARG A 676 -5.263 13.037 -14.005 1.00 75.24 H new ATOM 0 HD3 ARG A 676 -5.664 14.041 -12.626 1.00 75.24 H new ATOM 0 HE ARG A 676 -3.941 15.499 -13.192 1.00 23.22 H new ATOM 0 HH11 ARG A 676 -3.520 12.408 -14.841 1.00 65.42 H new ATOM 0 HH12 ARG A 676 -2.188 12.992 -15.844 1.00 65.42 H new ATOM 0 HH21 ARG A 676 -2.231 16.244 -14.483 1.00 25.13 H new ATOM 0 HH22 ARG A 676 -1.461 15.155 -15.643 1.00 25.13 H new ATOM 1264 N LYS A 677 -3.173 15.029 -8.856 1.00 64.24 N ATOM 1265 CA LYS A 677 -3.200 16.263 -8.081 1.00 12.44 C ATOM 1266 C LYS A 677 -4.188 16.157 -6.924 1.00 23.43 C ATOM 1267 O LYS A 677 -3.857 16.470 -5.780 1.00 2.44 O ATOM 1268 CB LYS A 677 -3.574 17.445 -8.978 1.00 21.34 C ATOM 1269 CG LYS A 677 -2.515 18.533 -9.024 1.00 60.02 C ATOM 1270 CD LYS A 677 -2.485 19.337 -7.737 1.00 13.44 C ATOM 1271 CE LYS A 677 -3.520 20.452 -7.752 1.00 23.14 C ATOM 1272 NZ LYS A 677 -2.890 21.791 -7.923 1.00 70.52 N ATOM 0 H LYS A 677 -3.809 14.306 -8.520 1.00 64.24 H new ATOM 0 HA LYS A 677 -2.203 16.427 -7.671 1.00 12.44 H new ATOM 0 HB2 LYS A 677 -3.752 17.080 -9.990 1.00 21.34 H new ATOM 0 HB3 LYS A 677 -4.511 17.876 -8.625 1.00 21.34 H new ATOM 0 HG2 LYS A 677 -1.537 18.083 -9.196 1.00 60.02 H new ATOM 0 HG3 LYS A 677 -2.712 19.198 -9.865 1.00 60.02 H new ATOM 0 HD2 LYS A 677 -2.672 18.677 -6.890 1.00 13.44 H new ATOM 0 HD3 LYS A 677 -1.492 19.763 -7.596 1.00 13.44 H new ATOM 0 HE2 LYS A 677 -4.229 20.278 -8.561 1.00 23.14 H new ATOM 0 HE3 LYS A 677 -4.087 20.434 -6.821 1.00 23.14 H new ATOM 0 HZ1 LYS A 677 -3.628 22.524 -7.928 1.00 70.52 H new ATOM 0 HZ2 LYS A 677 -2.232 21.968 -7.137 1.00 70.52 H new ATOM 0 HZ3 LYS A 677 -2.370 21.817 -8.823 1.00 70.52 H new ATOM 1286 N LYS A 678 -5.403 15.712 -7.227 1.00 43.01 N ATOM 1287 CA LYS A 678 -6.439 15.562 -6.213 1.00 25.11 C ATOM 1288 C LYS A 678 -6.585 14.101 -5.797 1.00 42.11 C ATOM 1289 O LYS A 678 -6.771 13.829 -4.612 1.00 73.22 O ATOM 1290 CB LYS A 678 -7.776 16.090 -6.738 1.00 11.44 C ATOM 1291 CG LYS A 678 -7.729 17.548 -7.162 1.00 21.03 C ATOM 1292 CD LYS A 678 -8.062 17.710 -8.636 1.00 54.21 C ATOM 1293 CE LYS A 678 -7.381 18.933 -9.230 1.00 23.12 C ATOM 1294 NZ LYS A 678 -7.450 18.939 -10.717 1.00 11.30 N ATOM 0 H LYS A 678 -5.694 15.449 -8.168 1.00 43.01 H new ATOM 0 HA LYS A 678 -6.144 16.143 -5.339 1.00 25.11 H new ATOM 0 HB2 LYS A 678 -8.089 15.483 -7.588 1.00 11.44 H new ATOM 0 HB3 LYS A 678 -8.534 15.969 -5.964 1.00 11.44 H new ATOM 0 HG2 LYS A 678 -8.434 18.125 -6.563 1.00 21.03 H new ATOM 0 HG3 LYS A 678 -6.737 17.953 -6.965 1.00 21.03 H new ATOM 0 HD2 LYS A 678 -7.751 16.819 -9.181 1.00 54.21 H new ATOM 0 HD3 LYS A 678 -9.142 17.798 -8.759 1.00 54.21 H new ATOM 0 HE2 LYS A 678 -7.852 19.836 -8.841 1.00 23.12 H new ATOM 0 HE3 LYS A 678 -6.338 18.957 -8.915 1.00 23.12 H new ATOM 0 HZ1 LYS A 678 -6.975 19.788 -11.083 1.00 11.30 H new ATOM 0 HZ2 LYS A 678 -6.978 18.090 -11.090 1.00 11.30 H new ATOM 0 HZ3 LYS A 678 -8.445 18.942 -11.018 1.00 11.30 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.175 4.344 -2.831 1.00 11.02 N ATOM 1310 CA THR B 389 14.731 4.542 -2.877 1.00 64.42 C ATOM 1311 C THR B 389 13.991 3.303 -2.383 1.00 11.51 C ATOM 1312 O THR B 389 14.609 2.335 -1.942 1.00 61.33 O ATOM 1313 CB THR B 389 14.256 4.874 -4.305 1.00 24.23 C ATOM 1314 OG1 THR B 389 15.356 4.796 -5.218 1.00 3.02 O ATOM 1315 CG2 THR B 389 13.642 6.264 -4.359 1.00 53.45 C ATOM 0 HA THR B 389 14.505 5.383 -2.221 1.00 64.42 H new ATOM 0 HB THR B 389 13.496 4.147 -4.591 1.00 24.23 H new ATOM 0 HG1 THR B 389 16.197 4.780 -4.716 1.00 3.02 H new ATOM 0 HG21 THR B 389 13.314 6.477 -5.376 1.00 53.45 H new ATOM 0 HG22 THR B 389 12.787 6.311 -3.684 1.00 53.45 H new ATOM 0 HG23 THR B 389 14.385 7.002 -4.055 1.00 53.45 H new ATOM 1323 N TRP B 390 12.666 3.344 -2.460 1.00 62.15 N ATOM 1324 CA TRP B 390 11.841 2.224 -2.020 1.00 62.03 C ATOM 1325 C TRP B 390 11.545 1.278 -3.179 1.00 52.32 C ATOM 1326 O TRP B 390 11.569 1.680 -4.343 1.00 31.02 O ATOM 1327 CB TRP B 390 10.533 2.734 -1.415 1.00 14.41 C ATOM 1328 CG TRP B 390 10.640 3.055 0.045 1.00 21.31 C ATOM 1329 CD1 TRP B 390 11.263 4.134 0.605 1.00 75.05 C ATOM 1330 CD2 TRP B 390 10.109 2.288 1.132 1.00 41.42 C ATOM 1331 NE1 TRP B 390 11.151 4.084 1.973 1.00 3.32 N ATOM 1332 CE2 TRP B 390 10.449 2.962 2.322 1.00 75.40 C ATOM 1333 CE3 TRP B 390 9.380 1.098 1.216 1.00 42.50 C ATOM 1334 CZ2 TRP B 390 10.083 2.485 3.577 1.00 33.10 C ATOM 1335 CZ3 TRP B 390 9.019 0.626 2.463 1.00 51.33 C ATOM 1336 CH2 TRP B 390 9.369 1.318 3.630 1.00 3.45 C ATOM 0 H TRP B 390 12.140 4.139 -2.822 1.00 62.15 H new ATOM 0 HA TRP B 390 12.395 1.674 -1.259 1.00 62.03 H new ATOM 0 HB2 TRP B 390 10.215 3.627 -1.954 1.00 14.41 H new ATOM 0 HB3 TRP B 390 9.757 1.982 -1.559 1.00 14.41 H new ATOM 0 HD1 TRP B 390 11.769 4.912 0.053 1.00 75.05 H new ATOM 0 HE1 TRP B 390 11.530 4.772 2.624 1.00 3.32 H new ATOM 0 HE3 TRP B 390 9.104 0.558 0.322 1.00 42.50 H new ATOM 0 HZ2 TRP B 390 10.353 3.017 4.478 1.00 33.10 H new ATOM 0 HZ3 TRP B 390 8.457 -0.293 2.540 1.00 51.33 H new ATOM 0 HH2 TRP B 390 9.070 0.923 4.590 1.00 3.45 H new ATOM 1347 N ARG B 391 11.265 0.020 -2.854 1.00 12.31 N ATOM 1348 CA ARG B 391 10.965 -0.982 -3.869 1.00 71.32 C ATOM 1349 C ARG B 391 9.648 -1.690 -3.561 1.00 53.41 C ATOM 1350 O ARG B 391 8.988 -1.391 -2.566 1.00 70.01 O ATOM 1351 CB ARG B 391 12.098 -2.007 -3.956 1.00 50.15 C ATOM 1352 CG ARG B 391 12.384 -2.711 -2.640 1.00 63.02 C ATOM 1353 CD ARG B 391 13.866 -3.019 -2.484 1.00 54.30 C ATOM 1354 NE ARG B 391 14.670 -1.804 -2.384 1.00 31.23 N ATOM 1355 CZ ARG B 391 15.923 -1.787 -1.944 1.00 12.53 C ATOM 1356 NH1 ARG B 391 16.513 -2.913 -1.567 1.00 73.33 N ATOM 1357 NH2 ARG B 391 16.589 -0.642 -1.881 1.00 2.21 N ATOM 0 H ARG B 391 11.240 -0.329 -1.896 1.00 12.31 H new ATOM 0 HA ARG B 391 10.870 -0.473 -4.828 1.00 71.32 H new ATOM 0 HB2 ARG B 391 11.845 -2.753 -4.710 1.00 50.15 H new ATOM 0 HB3 ARG B 391 13.005 -1.506 -4.295 1.00 50.15 H new ATOM 0 HG2 ARG B 391 12.052 -2.085 -1.812 1.00 63.02 H new ATOM 0 HG3 ARG B 391 11.811 -3.637 -2.589 1.00 63.02 H new ATOM 0 HD2 ARG B 391 14.018 -3.628 -1.593 1.00 54.30 H new ATOM 0 HD3 ARG B 391 14.205 -3.609 -3.335 1.00 54.30 H new ATOM 0 HE ARG B 391 14.246 -0.921 -2.667 1.00 31.23 H new ATOM 0 HH11 ARG B 391 16.004 -3.796 -1.614 1.00 73.33 H new ATOM 0 HH12 ARG B 391 17.475 -2.896 -1.230 1.00 73.33 H new ATOM 0 HH21 ARG B 391 16.139 0.226 -2.171 1.00 2.21 H new ATOM 0 HH22 ARG B 391 17.551 -0.630 -1.543 1.00 2.21 H new ATOM 1371 N VAL B 392 9.272 -2.630 -4.424 1.00 32.15 N ATOM 1372 CA VAL B 392 8.034 -3.380 -4.244 1.00 24.00 C ATOM 1373 C VAL B 392 8.178 -4.807 -4.761 1.00 54.23 C ATOM 1374 O VAL B 392 8.640 -5.028 -5.880 1.00 23.14 O ATOM 1375 CB VAL B 392 6.856 -2.700 -4.965 1.00 22.25 C ATOM 1376 CG1 VAL B 392 7.148 -2.559 -6.451 1.00 10.42 C ATOM 1377 CG2 VAL B 392 5.570 -3.481 -4.737 1.00 65.54 C ATOM 0 H VAL B 392 9.806 -2.890 -5.253 1.00 32.15 H new ATOM 0 HA VAL B 392 7.829 -3.403 -3.174 1.00 24.00 H new ATOM 0 HB VAL B 392 6.726 -1.701 -4.549 1.00 22.25 H new ATOM 0 HG11 VAL B 392 6.304 -2.076 -6.943 1.00 10.42 H new ATOM 0 HG12 VAL B 392 8.044 -1.954 -6.590 1.00 10.42 H new ATOM 0 HG13 VAL B 392 7.306 -3.546 -6.886 1.00 10.42 H new ATOM 0 HG21 VAL B 392 4.747 -2.986 -5.254 1.00 65.54 H new ATOM 0 HG22 VAL B 392 5.686 -4.493 -5.124 1.00 65.54 H new ATOM 0 HG23 VAL B 392 5.355 -3.524 -3.669 1.00 65.54 H new ATOM 1387 N GLN B 393 7.776 -5.771 -3.939 1.00 63.40 N ATOM 1388 CA GLN B 393 7.861 -7.178 -4.315 1.00 33.35 C ATOM 1389 C GLN B 393 6.596 -7.927 -3.906 1.00 23.12 C ATOM 1390 O GLN B 393 6.338 -8.127 -2.720 1.00 12.04 O ATOM 1391 CB GLN B 393 9.084 -7.829 -3.667 1.00 4.21 C ATOM 1392 CG GLN B 393 10.396 -7.151 -4.029 1.00 2.44 C ATOM 1393 CD GLN B 393 11.444 -7.290 -2.942 1.00 1.14 C ATOM 1394 OE1 GLN B 393 12.444 -7.987 -3.113 1.00 71.24 O ATOM 1395 NE2 GLN B 393 11.219 -6.625 -1.814 1.00 62.14 N ATOM 0 H GLN B 393 7.389 -5.604 -3.010 1.00 63.40 H new ATOM 0 HA GLN B 393 7.961 -7.233 -5.399 1.00 33.35 H new ATOM 0 HB2 GLN B 393 8.963 -7.813 -2.584 1.00 4.21 H new ATOM 0 HB3 GLN B 393 9.130 -8.876 -3.967 1.00 4.21 H new ATOM 0 HG2 GLN B 393 10.779 -7.580 -4.955 1.00 2.44 H new ATOM 0 HG3 GLN B 393 10.214 -6.093 -4.220 1.00 2.44 H new ATOM 0 HE21 GLN B 393 10.376 -6.059 -1.715 1.00 62.14 H new ATOM 0 HE22 GLN B 393 11.889 -6.681 -1.047 1.00 62.14 H new ATOM 1404 N ARG B 394 5.812 -8.339 -4.897 1.00 3.13 N ATOM 1405 CA ARG B 394 4.573 -9.064 -4.641 1.00 23.12 C ATOM 1406 C ARG B 394 4.864 -10.454 -4.080 1.00 51.45 C ATOM 1407 O ARG B 394 6.003 -10.920 -4.108 1.00 12.21 O ATOM 1408 CB ARG B 394 3.751 -9.181 -5.925 1.00 21.42 C ATOM 1409 CG ARG B 394 3.719 -7.903 -6.747 1.00 22.23 C ATOM 1410 CD ARG B 394 4.636 -7.996 -7.957 1.00 63.51 C ATOM 1411 NE ARG B 394 3.927 -8.461 -9.146 1.00 55.45 N ATOM 1412 CZ ARG B 394 4.532 -8.784 -10.284 1.00 21.23 C ATOM 1413 NH1 ARG B 394 5.851 -8.696 -10.384 1.00 62.23 N ATOM 1414 NH2 ARG B 394 3.818 -9.198 -11.322 1.00 70.32 N ATOM 0 H ARG B 394 6.013 -8.183 -5.885 1.00 3.13 H new ATOM 0 HA ARG B 394 3.999 -8.505 -3.902 1.00 23.12 H new ATOM 0 HB2 ARG B 394 4.160 -9.986 -6.536 1.00 21.42 H new ATOM 0 HB3 ARG B 394 2.730 -9.463 -5.668 1.00 21.42 H new ATOM 0 HG2 ARG B 394 2.699 -7.706 -7.076 1.00 22.23 H new ATOM 0 HG3 ARG B 394 4.021 -7.061 -6.124 1.00 22.23 H new ATOM 0 HD2 ARG B 394 5.075 -7.018 -8.156 1.00 63.51 H new ATOM 0 HD3 ARG B 394 5.459 -8.676 -7.737 1.00 63.51 H new ATOM 0 HE ARG B 394 2.911 -8.542 -9.100 1.00 55.45 H new ATOM 0 HH11 ARG B 394 6.403 -8.380 -9.587 1.00 62.23 H new ATOM 0 HH12 ARG B 394 6.314 -8.944 -11.258 1.00 62.23 H new ATOM 0 HH21 ARG B 394 2.803 -9.269 -11.247 1.00 70.32 H new ATOM 0 HH22 ARG B 394 4.284 -9.446 -12.195 1.00 70.32 H new ATOM 1428 N SER B 395 3.826 -11.110 -3.573 1.00 13.43 N ATOM 1429 CA SER B 395 3.969 -12.444 -3.002 1.00 30.32 C ATOM 1430 C SER B 395 2.843 -13.360 -3.473 1.00 4.00 C ATOM 1431 O SER B 395 2.059 -12.997 -4.348 1.00 10.44 O ATOM 1432 CB SER B 395 3.976 -12.370 -1.474 1.00 61.31 C ATOM 1433 OG SER B 395 4.565 -13.529 -0.910 1.00 20.03 O ATOM 0 H SER B 395 2.876 -10.739 -3.546 1.00 13.43 H new ATOM 0 HA SER B 395 4.918 -12.858 -3.343 1.00 30.32 H new ATOM 0 HB2 SER B 395 4.526 -11.486 -1.152 1.00 61.31 H new ATOM 0 HB3 SER B 395 2.955 -12.262 -1.107 1.00 61.31 H new ATOM 0 HG SER B 395 3.880 -14.048 -0.439 1.00 20.03 H new ATOM 1439 N GLN B 396 2.773 -14.550 -2.884 1.00 51.14 N ATOM 1440 CA GLN B 396 1.744 -15.520 -3.244 1.00 45.53 C ATOM 1441 C GLN B 396 0.351 -14.956 -2.984 1.00 45.53 C ATOM 1442 O GLN B 396 -0.607 -15.303 -3.673 1.00 40.24 O ATOM 1443 CB GLN B 396 1.938 -16.816 -2.457 1.00 2.25 C ATOM 1444 CG GLN B 396 1.661 -16.672 -0.969 1.00 51.41 C ATOM 1445 CD GLN B 396 0.302 -17.212 -0.573 1.00 73.11 C ATOM 1446 OE1 GLN B 396 -0.714 -16.877 -1.183 1.00 42.01 O ATOM 1447 NE2 GLN B 396 0.274 -18.054 0.454 1.00 43.02 N ATOM 0 H GLN B 396 3.415 -14.865 -2.157 1.00 51.14 H new ATOM 0 HA GLN B 396 1.837 -15.733 -4.309 1.00 45.53 H new ATOM 0 HB2 GLN B 396 1.281 -17.583 -2.868 1.00 2.25 H new ATOM 0 HB3 GLN B 396 2.961 -17.166 -2.595 1.00 2.25 H new ATOM 0 HG2 GLN B 396 2.434 -17.197 -0.407 1.00 51.41 H new ATOM 0 HG3 GLN B 396 1.724 -15.620 -0.692 1.00 51.41 H new ATOM 0 HE21 GLN B 396 1.140 -18.305 0.931 1.00 43.02 H new ATOM 0 HE22 GLN B 396 -0.613 -18.450 0.765 1.00 43.02 H new ATOM 1456 N ASN B 397 0.247 -14.085 -1.987 1.00 11.05 N ATOM 1457 CA ASN B 397 -1.030 -13.474 -1.635 1.00 73.42 C ATOM 1458 C ASN B 397 -1.744 -12.952 -2.878 1.00 60.44 C ATOM 1459 O ASN B 397 -1.152 -12.802 -3.948 1.00 30.34 O ATOM 1460 CB ASN B 397 -0.816 -12.332 -0.640 1.00 15.25 C ATOM 1461 CG ASN B 397 -1.316 -12.676 0.751 1.00 25.01 C ATOM 1462 OD1 ASN B 397 -2.177 -11.989 1.301 1.00 51.13 O ATOM 1463 ND2 ASN B 397 -0.774 -13.743 1.326 1.00 2.13 N ATOM 0 H ASN B 397 1.031 -13.786 -1.408 1.00 11.05 H new ATOM 0 HA ASN B 397 -1.654 -14.238 -1.172 1.00 73.42 H new ATOM 0 HB2 ASN B 397 0.246 -12.090 -0.592 1.00 15.25 H new ATOM 0 HB3 ASN B 397 -1.331 -11.440 -0.998 1.00 15.25 H new ATOM 0 HD21 ASN B 397 -1.068 -14.023 2.262 1.00 2.13 H new ATOM 0 HD22 ASN B 397 -0.063 -14.283 0.832 1.00 2.13 H new ATOM 1470 N PRO B 398 -3.047 -12.670 -2.737 1.00 10.43 N ATOM 1471 CA PRO B 398 -3.871 -12.159 -3.838 1.00 62.31 C ATOM 1472 C PRO B 398 -3.502 -10.731 -4.223 1.00 63.44 C ATOM 1473 O PRO B 398 -3.875 -10.250 -5.294 1.00 51.03 O ATOM 1474 CB PRO B 398 -5.291 -12.210 -3.271 1.00 20.43 C ATOM 1475 CG PRO B 398 -5.114 -12.124 -1.794 1.00 72.33 C ATOM 1476 CD PRO B 398 -3.818 -12.825 -1.492 1.00 73.23 C ATOM 0 HA PRO B 398 -3.740 -12.742 -4.750 1.00 62.31 H new ATOM 0 HB2 PRO B 398 -5.896 -11.385 -3.646 1.00 20.43 H new ATOM 0 HB3 PRO B 398 -5.798 -13.132 -3.556 1.00 20.43 H new ATOM 0 HG2 PRO B 398 -5.082 -11.086 -1.464 1.00 72.33 H new ATOM 0 HG3 PRO B 398 -5.945 -12.599 -1.273 1.00 72.33 H new ATOM 0 HD2 PRO B 398 -3.305 -12.373 -0.643 1.00 73.23 H new ATOM 0 HD3 PRO B 398 -3.977 -13.875 -1.246 1.00 73.23 H new ATOM 1484 N LEU B 399 -2.765 -10.057 -3.346 1.00 75.20 N ATOM 1485 CA LEU B 399 -2.346 -8.683 -3.596 1.00 22.22 C ATOM 1486 C LEU B 399 -1.500 -8.155 -2.441 1.00 52.53 C ATOM 1487 O LEU B 399 -1.844 -7.152 -1.814 1.00 30.42 O ATOM 1488 CB LEU B 399 -3.567 -7.785 -3.802 1.00 5.11 C ATOM 1489 CG LEU B 399 -3.459 -6.754 -4.926 1.00 11.50 C ATOM 1490 CD1 LEU B 399 -2.247 -5.858 -4.714 1.00 60.23 C ATOM 1491 CD2 LEU B 399 -3.383 -7.445 -6.279 1.00 73.33 C ATOM 0 H LEU B 399 -2.446 -10.440 -2.456 1.00 75.20 H new ATOM 0 HA LEU B 399 -1.740 -8.672 -4.502 1.00 22.22 H new ATOM 0 HB2 LEU B 399 -4.431 -8.420 -4.000 1.00 5.11 H new ATOM 0 HB3 LEU B 399 -3.766 -7.257 -2.869 1.00 5.11 H new ATOM 0 HG LEU B 399 -4.354 -6.131 -4.909 1.00 11.50 H new ATOM 0 HD11 LEU B 399 -2.186 -5.131 -5.523 1.00 60.23 H new ATOM 0 HD12 LEU B 399 -2.343 -5.335 -3.763 1.00 60.23 H new ATOM 0 HD13 LEU B 399 -1.342 -6.466 -4.704 1.00 60.23 H new ATOM 0 HD21 LEU B 399 -3.307 -6.695 -7.067 1.00 73.33 H new ATOM 0 HD22 LEU B 399 -2.507 -8.093 -6.308 1.00 73.33 H new ATOM 0 HD23 LEU B 399 -4.281 -8.043 -6.433 1.00 73.33 H new ATOM 1503 N LYS B 400 -0.391 -8.833 -2.167 1.00 70.32 N ATOM 1504 CA LYS B 400 0.506 -8.430 -1.091 1.00 62.32 C ATOM 1505 C LYS B 400 1.822 -7.900 -1.650 1.00 2.13 C ATOM 1506 O LYS B 400 2.690 -8.671 -2.058 1.00 65.44 O ATOM 1507 CB LYS B 400 0.777 -9.612 -0.156 1.00 73.41 C ATOM 1508 CG LYS B 400 1.740 -9.287 0.972 1.00 12.40 C ATOM 1509 CD LYS B 400 2.380 -10.543 1.538 1.00 5.00 C ATOM 1510 CE LYS B 400 1.439 -11.272 2.483 1.00 31.20 C ATOM 1511 NZ LYS B 400 2.022 -12.553 2.969 1.00 32.24 N ATOM 0 H LYS B 400 -0.092 -9.665 -2.676 1.00 70.32 H new ATOM 0 HA LYS B 400 0.022 -7.632 -0.528 1.00 62.32 H new ATOM 0 HB2 LYS B 400 -0.167 -9.951 0.270 1.00 73.41 H new ATOM 0 HB3 LYS B 400 1.180 -10.440 -0.739 1.00 73.41 H new ATOM 0 HG2 LYS B 400 2.516 -8.615 0.606 1.00 12.40 H new ATOM 0 HG3 LYS B 400 1.209 -8.759 1.764 1.00 12.40 H new ATOM 0 HD2 LYS B 400 2.664 -11.207 0.722 1.00 5.00 H new ATOM 0 HD3 LYS B 400 3.296 -10.279 2.067 1.00 5.00 H new ATOM 0 HE2 LYS B 400 1.211 -10.631 3.334 1.00 31.20 H new ATOM 0 HE3 LYS B 400 0.496 -11.472 1.974 1.00 31.20 H new ATOM 0 HZ1 LYS B 400 1.349 -13.019 3.611 1.00 32.24 H new ATOM 0 HZ2 LYS B 400 2.216 -13.176 2.159 1.00 32.24 H new ATOM 0 HZ3 LYS B 400 2.908 -12.360 3.477 1.00 32.24 H new ATOM 1525 N ILE B 401 1.964 -6.579 -1.663 1.00 74.02 N ATOM 1526 CA ILE B 401 3.175 -5.946 -2.170 1.00 3.42 C ATOM 1527 C ILE B 401 4.130 -5.598 -1.032 1.00 72.10 C ATOM 1528 O ILE B 401 3.826 -4.753 -0.190 1.00 50.05 O ATOM 1529 CB ILE B 401 2.852 -4.667 -2.964 1.00 5.54 C ATOM 1530 CG1 ILE B 401 1.715 -3.896 -2.291 1.00 71.41 C ATOM 1531 CG2 ILE B 401 2.489 -5.013 -4.400 1.00 55.52 C ATOM 1532 CD1 ILE B 401 1.852 -2.394 -2.405 1.00 31.13 C ATOM 0 H ILE B 401 1.255 -5.926 -1.328 1.00 74.02 H new ATOM 0 HA ILE B 401 3.653 -6.665 -2.836 1.00 3.42 H new ATOM 0 HB ILE B 401 3.737 -4.031 -2.977 1.00 5.54 H new ATOM 0 HG12 ILE B 401 0.768 -4.201 -2.735 1.00 71.41 H new ATOM 0 HG13 ILE B 401 1.675 -4.170 -1.237 1.00 71.41 H new ATOM 0 HG21 ILE B 401 2.263 -4.099 -4.949 1.00 55.52 H new ATOM 0 HG22 ILE B 401 3.327 -5.523 -4.874 1.00 55.52 H new ATOM 0 HG23 ILE B 401 1.616 -5.666 -4.407 1.00 55.52 H new ATOM 0 HD11 ILE B 401 1.011 -1.913 -1.905 1.00 31.13 H new ATOM 0 HD12 ILE B 401 2.783 -2.077 -1.935 1.00 31.13 H new ATOM 0 HD13 ILE B 401 1.861 -2.108 -3.457 1.00 31.13 H new ATOM 1544 N ARG B 402 5.286 -6.253 -1.016 1.00 43.20 N ATOM 1545 CA ARG B 402 6.286 -6.012 0.017 1.00 23.23 C ATOM 1546 C ARG B 402 7.134 -4.789 -0.322 1.00 25.44 C ATOM 1547 O ARG B 402 7.976 -4.833 -1.220 1.00 73.42 O ATOM 1548 CB ARG B 402 7.185 -7.239 0.183 1.00 72.13 C ATOM 1549 CG ARG B 402 7.216 -7.785 1.600 1.00 12.15 C ATOM 1550 CD ARG B 402 8.473 -7.350 2.338 1.00 54.31 C ATOM 1551 NE ARG B 402 9.680 -7.913 1.742 1.00 41.44 N ATOM 1552 CZ ARG B 402 10.076 -9.168 1.927 1.00 32.03 C ATOM 1553 NH1 ARG B 402 9.362 -9.984 2.690 1.00 61.32 N ATOM 1554 NH2 ARG B 402 11.186 -9.607 1.350 1.00 25.12 N ATOM 0 H ARG B 402 5.553 -6.955 -1.707 1.00 43.20 H new ATOM 0 HA ARG B 402 5.764 -5.823 0.955 1.00 23.23 H new ATOM 0 HB2 ARG B 402 6.843 -8.023 -0.492 1.00 72.13 H new ATOM 0 HB3 ARG B 402 8.199 -6.979 -0.119 1.00 72.13 H new ATOM 0 HG2 ARG B 402 6.336 -7.440 2.143 1.00 12.15 H new ATOM 0 HG3 ARG B 402 7.167 -8.874 1.573 1.00 12.15 H new ATOM 0 HD2 ARG B 402 8.539 -6.262 2.331 1.00 54.31 H new ATOM 0 HD3 ARG B 402 8.406 -7.659 3.381 1.00 54.31 H new ATOM 0 HE ARG B 402 10.252 -7.310 1.151 1.00 41.44 H new ATOM 0 HH11 ARG B 402 8.508 -9.649 3.136 1.00 61.32 H new ATOM 0 HH12 ARG B 402 9.667 -10.947 2.831 1.00 61.32 H new ATOM 0 HH21 ARG B 402 11.738 -8.981 0.763 1.00 25.12 H new ATOM 0 HH22 ARG B 402 11.488 -10.571 1.493 1.00 25.12 H new ATOM 1568 N LEU B 403 6.907 -3.700 0.404 1.00 32.10 N ATOM 1569 CA LEU B 403 7.649 -2.464 0.181 1.00 50.13 C ATOM 1570 C LEU B 403 8.810 -2.341 1.162 1.00 72.35 C ATOM 1571 O LEU B 403 8.673 -2.654 2.346 1.00 51.24 O ATOM 1572 CB LEU B 403 6.720 -1.256 0.318 1.00 4.12 C ATOM 1573 CG LEU B 403 5.512 -1.228 -0.619 1.00 50.11 C ATOM 1574 CD1 LEU B 403 5.859 -1.862 -1.957 1.00 25.24 C ATOM 1575 CD2 LEU B 403 4.326 -1.939 0.018 1.00 5.11 C ATOM 0 H LEU B 403 6.215 -3.648 1.152 1.00 32.10 H new ATOM 0 HA LEU B 403 8.054 -2.490 -0.831 1.00 50.13 H new ATOM 0 HB2 LEU B 403 6.358 -1.216 1.346 1.00 4.12 H new ATOM 0 HB3 LEU B 403 7.305 -0.352 0.150 1.00 4.12 H new ATOM 0 HG LEU B 403 5.236 -0.188 -0.793 1.00 50.11 H new ATOM 0 HD11 LEU B 403 4.987 -1.833 -2.610 1.00 25.24 H new ATOM 0 HD12 LEU B 403 6.678 -1.311 -2.419 1.00 25.24 H new ATOM 0 HD13 LEU B 403 6.161 -2.898 -1.801 1.00 25.24 H new ATOM 0 HD21 LEU B 403 3.475 -1.909 -0.663 1.00 5.11 H new ATOM 0 HD22 LEU B 403 4.591 -2.976 0.223 1.00 5.11 H new ATOM 0 HD23 LEU B 403 4.062 -1.441 0.951 1.00 5.11 H new ATOM 1587 N THR B 404 9.954 -1.882 0.663 1.00 33.13 N ATOM 1588 CA THR B 404 11.138 -1.717 1.496 1.00 40.10 C ATOM 1589 C THR B 404 11.975 -0.530 1.033 1.00 51.13 C ATOM 1590 O THR B 404 12.089 -0.270 -0.165 1.00 43.51 O ATOM 1591 CB THR B 404 12.014 -2.984 1.484 1.00 41.23 C ATOM 1592 OG1 THR B 404 12.644 -3.132 0.207 1.00 3.54 O ATOM 1593 CG2 THR B 404 11.182 -4.220 1.791 1.00 44.21 C ATOM 0 H THR B 404 10.085 -1.618 -0.314 1.00 33.13 H new ATOM 0 HA THR B 404 10.787 -1.536 2.512 1.00 40.10 H new ATOM 0 HB THR B 404 12.777 -2.879 2.255 1.00 41.23 H new ATOM 0 HG1 THR B 404 12.502 -4.043 -0.124 1.00 3.54 H new ATOM 0 HG21 THR B 404 11.822 -5.102 1.777 1.00 44.21 H new ATOM 0 HG22 THR B 404 10.727 -4.117 2.776 1.00 44.21 H new ATOM 0 HG23 THR B 404 10.399 -4.328 1.040 1.00 44.21 H new ATOM 1601 N ARG B 405 12.558 0.186 1.988 1.00 4.43 N ATOM 1602 CA ARG B 405 13.385 1.347 1.677 1.00 74.35 C ATOM 1603 C ARG B 405 14.342 1.040 0.529 1.00 71.23 C ATOM 1604 O ARG B 405 14.745 -0.106 0.333 1.00 34.11 O ATOM 1605 CB ARG B 405 14.175 1.783 2.912 1.00 54.54 C ATOM 1606 CG ARG B 405 13.454 2.817 3.762 1.00 42.14 C ATOM 1607 CD ARG B 405 14.322 3.290 4.917 1.00 14.00 C ATOM 1608 NE ARG B 405 15.666 3.656 4.479 1.00 54.15 N ATOM 1609 CZ ARG B 405 15.938 4.758 3.790 1.00 43.45 C ATOM 1610 NH1 ARG B 405 14.966 5.599 3.463 1.00 32.13 N ATOM 1611 NH2 ARG B 405 17.187 5.023 3.427 1.00 2.41 N ATOM 0 H ARG B 405 12.473 -0.017 2.984 1.00 4.43 H new ATOM 0 HA ARG B 405 12.726 2.160 1.371 1.00 74.35 H new ATOM 0 HB2 ARG B 405 14.389 0.907 3.524 1.00 54.54 H new ATOM 0 HB3 ARG B 405 15.134 2.191 2.594 1.00 54.54 H new ATOM 0 HG2 ARG B 405 13.175 3.669 3.142 1.00 42.14 H new ATOM 0 HG3 ARG B 405 12.530 2.390 4.151 1.00 42.14 H new ATOM 0 HD2 ARG B 405 13.851 4.148 5.396 1.00 14.00 H new ATOM 0 HD3 ARG B 405 14.388 2.502 5.667 1.00 14.00 H new ATOM 0 HE ARG B 405 16.437 3.032 4.715 1.00 54.15 H new ATOM 0 HH11 ARG B 405 14.005 5.400 3.741 1.00 32.13 H new ATOM 0 HH12 ARG B 405 15.180 6.444 2.934 1.00 32.13 H new ATOM 0 HH21 ARG B 405 17.938 4.380 3.677 1.00 2.41 H new ATOM 0 HH22 ARG B 405 17.396 5.870 2.898 1.00 2.41 H new TER 1625 ARG B 405