USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 629 LYS NZ :NH3+ -172:sc= 0.0345 (180deg=0) USER MOD Set 1.2: A 674 CYS SG : rot 150:sc= -0.357 USER MOD Set 2.1: A 635 HIS : no HD1:sc= -0.907 K(o=-1,f=-0.47) USER MOD Set 2.2: A 638 GLN : amide:sc= -0.105 K(o=-1,f=-0.48) USER MOD Single : A 601 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 CYS SG : rot -102:sc= 0.702 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -171:sc= -1.44 (180deg=-1.91) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.87) USER MOD Single : A 619 SER OG : rot -56:sc= 0.922 USER MOD Single : A 623 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.8) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 SER OG : rot 180:sc= 0 USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 ASN : amide:sc= -0.79 K(o=-0.79,f=-0.22) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -6.23 K(o=-6.2,f=-4.7!) USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 167:sc= -0.0359 (180deg=-0.247) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 170:sc= -0.666 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 673 SER OG : 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 -6:sc= 0.796 USER MOD Single : B 393 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.018) USER MOD Single : B 395 SER OG : rot 180:sc= 0 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : B 397 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.6!) USER MOD Single : B 400 LYS NZ :NH3+ -162:sc= 0.0404 (180deg=0.00352) USER MOD Single : B 404 THR OG1 : rot -150:sc= -1.75 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -20.690 7.024 18.958 1.00 62.13 N ATOM 2 CA GLU A 600 -20.960 7.118 17.528 1.00 65.01 C ATOM 3 C GLU A 600 -19.659 7.195 16.733 1.00 41.10 C ATOM 4 O GLU A 600 -18.673 7.774 17.190 1.00 33.10 O ATOM 5 CB GLU A 600 -21.826 8.344 17.229 1.00 61.21 C ATOM 6 CG GLU A 600 -23.298 8.139 17.541 1.00 33.24 C ATOM 7 CD GLU A 600 -24.150 9.330 17.145 1.00 62.31 C ATOM 8 OE1 GLU A 600 -23.589 10.434 16.983 1.00 71.22 O ATOM 9 OE2 GLU A 600 -25.378 9.157 16.998 1.00 54.24 O ATOM 0 HA GLU A 600 -21.498 6.220 17.226 1.00 65.01 H new ATOM 0 HB2 GLU A 600 -21.455 9.190 17.807 1.00 61.21 H new ATOM 0 HB3 GLU A 600 -21.719 8.606 16.176 1.00 61.21 H new ATOM 0 HG2 GLU A 600 -23.656 7.251 17.019 1.00 33.24 H new ATOM 0 HG3 GLU A 600 -23.417 7.951 18.608 1.00 33.24 H new ATOM 16 N SER A 601 -19.666 6.606 15.541 1.00 4.15 N ATOM 17 CA SER A 601 -18.485 6.604 14.684 1.00 72.51 C ATOM 18 C SER A 601 -18.691 7.510 13.474 1.00 32.43 C ATOM 19 O SER A 601 -18.131 8.603 13.403 1.00 53.33 O ATOM 20 CB SER A 601 -18.169 5.180 14.221 1.00 40.31 C ATOM 21 OG SER A 601 -19.355 4.465 13.923 1.00 71.31 O ATOM 0 H SER A 601 -20.475 6.125 15.147 1.00 4.15 H new ATOM 0 HA SER A 601 -17.644 6.986 15.263 1.00 72.51 H new ATOM 0 HB2 SER A 601 -17.530 5.215 13.338 1.00 40.31 H new ATOM 0 HB3 SER A 601 -17.611 4.657 14.998 1.00 40.31 H new ATOM 0 HG SER A 601 -19.125 3.559 13.628 1.00 71.31 H new ATOM 27 N GLU A 602 -19.498 7.046 12.525 1.00 21.21 N ATOM 28 CA GLU A 602 -19.777 7.814 11.318 1.00 72.33 C ATOM 29 C GLU A 602 -18.487 8.139 10.569 1.00 33.22 C ATOM 30 O GLU A 602 -18.335 9.229 10.019 1.00 22.42 O ATOM 31 CB GLU A 602 -20.516 9.107 11.668 1.00 4.12 C ATOM 32 CG GLU A 602 -21.456 9.587 10.576 1.00 30.50 C ATOM 33 CD GLU A 602 -22.109 10.914 10.909 1.00 51.32 C ATOM 34 OE1 GLU A 602 -22.448 11.127 12.092 1.00 12.24 O ATOM 35 OE2 GLU A 602 -22.281 11.740 9.988 1.00 63.33 O ATOM 0 H GLU A 602 -19.970 6.143 12.569 1.00 21.21 H new ATOM 0 HA GLU A 602 -20.410 7.207 10.671 1.00 72.33 H new ATOM 0 HB2 GLU A 602 -21.086 8.953 12.584 1.00 4.12 H new ATOM 0 HB3 GLU A 602 -19.785 9.888 11.875 1.00 4.12 H new ATOM 0 HG2 GLU A 602 -20.902 9.683 9.642 1.00 30.50 H new ATOM 0 HG3 GLU A 602 -22.230 8.837 10.412 1.00 30.50 H new ATOM 42 N GLU A 603 -17.562 7.184 10.554 1.00 33.23 N ATOM 43 CA GLU A 603 -16.285 7.369 9.875 1.00 74.30 C ATOM 44 C GLU A 603 -15.516 6.054 9.796 1.00 41.31 C ATOM 45 O GLU A 603 -15.361 5.478 8.719 1.00 34.24 O ATOM 46 CB GLU A 603 -15.444 8.422 10.600 1.00 72.41 C ATOM 47 CG GLU A 603 -14.197 8.835 9.838 1.00 15.54 C ATOM 48 CD GLU A 603 -14.510 9.368 8.452 1.00 24.04 C ATOM 49 OE1 GLU A 603 -15.397 10.240 8.339 1.00 30.52 O ATOM 50 OE2 GLU A 603 -13.867 8.913 7.483 1.00 73.01 O ATOM 0 H GLU A 603 -17.673 6.275 11.004 1.00 33.23 H new ATOM 0 HA GLU A 603 -16.488 7.713 8.861 1.00 74.30 H new ATOM 0 HB2 GLU A 603 -16.058 9.304 10.780 1.00 72.41 H new ATOM 0 HB3 GLU A 603 -15.151 8.033 11.575 1.00 72.41 H new ATOM 0 HG2 GLU A 603 -13.665 9.599 10.405 1.00 15.54 H new ATOM 0 HG3 GLU A 603 -13.528 7.979 9.751 1.00 15.54 H new ATOM 57 N GLU A 604 -15.035 5.586 10.943 1.00 75.42 N ATOM 58 CA GLU A 604 -14.281 4.339 11.003 1.00 2.24 C ATOM 59 C GLU A 604 -15.100 3.180 10.443 1.00 34.42 C ATOM 60 O GLU A 604 -14.561 2.279 9.800 1.00 43.44 O ATOM 61 CB GLU A 604 -13.867 4.036 12.444 1.00 2.24 C ATOM 62 CG GLU A 604 -15.001 4.180 13.446 1.00 50.40 C ATOM 63 CD GLU A 604 -14.694 3.516 14.774 1.00 60.33 C ATOM 64 OE1 GLU A 604 -14.286 2.335 14.765 1.00 12.54 O ATOM 65 OE2 GLU A 604 -14.861 4.176 15.822 1.00 61.33 O ATOM 0 H GLU A 604 -15.154 6.051 11.843 1.00 75.42 H new ATOM 0 HA GLU A 604 -13.386 4.456 10.393 1.00 2.24 H new ATOM 0 HB2 GLU A 604 -13.475 3.020 12.495 1.00 2.24 H new ATOM 0 HB3 GLU A 604 -13.055 4.705 12.728 1.00 2.24 H new ATOM 0 HG2 GLU A 604 -15.203 5.238 13.611 1.00 50.40 H new ATOM 0 HG3 GLU A 604 -15.908 3.744 13.027 1.00 50.40 H new ATOM 72 N ASP A 605 -16.404 3.209 10.693 1.00 14.41 N ATOM 73 CA ASP A 605 -17.299 2.162 10.214 1.00 24.10 C ATOM 74 C ASP A 605 -17.912 2.544 8.871 1.00 70.20 C ATOM 75 O ASP A 605 -18.287 1.679 8.079 1.00 42.43 O ATOM 76 CB ASP A 605 -18.404 1.899 11.237 1.00 32.33 C ATOM 77 CG ASP A 605 -17.901 1.147 12.454 1.00 44.14 C ATOM 78 OD1 ASP A 605 -16.686 1.217 12.733 1.00 34.31 O ATOM 79 OD2 ASP A 605 -18.721 0.487 13.126 1.00 54.10 O ATOM 0 H ASP A 605 -16.865 3.947 11.225 1.00 14.41 H new ATOM 0 HA ASP A 605 -16.715 1.252 10.080 1.00 24.10 H new ATOM 0 HB2 ASP A 605 -18.835 2.849 11.553 1.00 32.33 H new ATOM 0 HB3 ASP A 605 -19.203 1.327 10.765 1.00 32.33 H new ATOM 84 N LYS A 606 -18.012 3.844 8.620 1.00 12.43 N ATOM 85 CA LYS A 606 -18.580 4.343 7.373 1.00 50.34 C ATOM 86 C LYS A 606 -17.712 3.947 6.183 1.00 30.43 C ATOM 87 O LYS A 606 -18.211 3.766 5.072 1.00 65.04 O ATOM 88 CB LYS A 606 -18.726 5.865 7.427 1.00 53.14 C ATOM 89 CG LYS A 606 -20.131 6.330 7.768 1.00 50.33 C ATOM 90 CD LYS A 606 -20.651 7.329 6.748 1.00 43.20 C ATOM 91 CE LYS A 606 -20.086 8.721 6.993 1.00 34.14 C ATOM 92 NZ LYS A 606 -19.402 9.262 5.787 1.00 51.32 N ATOM 0 H LYS A 606 -17.707 4.573 9.265 1.00 12.43 H new ATOM 0 HA LYS A 606 -19.565 3.894 7.247 1.00 50.34 H new ATOM 0 HB2 LYS A 606 -18.031 6.262 8.167 1.00 53.14 H new ATOM 0 HB3 LYS A 606 -18.438 6.284 6.463 1.00 53.14 H new ATOM 0 HG2 LYS A 606 -20.800 5.470 7.810 1.00 50.33 H new ATOM 0 HG3 LYS A 606 -20.134 6.785 8.759 1.00 50.33 H new ATOM 0 HD2 LYS A 606 -20.384 6.998 5.744 1.00 43.20 H new ATOM 0 HD3 LYS A 606 -21.740 7.364 6.793 1.00 43.20 H new ATOM 0 HE2 LYS A 606 -20.892 9.394 7.286 1.00 34.14 H new ATOM 0 HE3 LYS A 606 -19.382 8.686 7.825 1.00 34.14 H new ATOM 0 HZ1 LYS A 606 -19.031 10.211 5.995 1.00 51.32 H new ATOM 0 HZ2 LYS A 606 -18.617 8.634 5.522 1.00 51.32 H new ATOM 0 HZ3 LYS A 606 -20.080 9.320 5.000 1.00 51.32 H new ATOM 106 N CYS A 607 -16.412 3.812 6.424 1.00 13.11 N ATOM 107 CA CYS A 607 -15.475 3.435 5.373 1.00 51.21 C ATOM 108 C CYS A 607 -15.980 2.220 4.602 1.00 32.55 C ATOM 109 O CYS A 607 -16.506 1.273 5.190 1.00 5.43 O ATOM 110 CB CYS A 607 -14.098 3.140 5.969 1.00 24.12 C ATOM 111 SG CYS A 607 -14.006 1.579 6.876 1.00 31.35 S ATOM 0 H CYS A 607 -15.984 3.958 7.338 1.00 13.11 H new ATOM 0 HA CYS A 607 -15.391 4.272 4.680 1.00 51.21 H new ATOM 0 HB2 CYS A 607 -13.362 3.125 5.165 1.00 24.12 H new ATOM 0 HB3 CYS A 607 -13.822 3.954 6.639 1.00 24.12 H new ATOM 0 HG CYS A 607 -14.062 1.815 8.153 1.00 31.35 H new ATOM 117 N LYS A 608 -15.820 2.253 3.284 1.00 30.34 N ATOM 118 CA LYS A 608 -16.260 1.154 2.431 1.00 21.25 C ATOM 119 C LYS A 608 -15.093 0.237 2.081 1.00 63.52 C ATOM 120 O LYS A 608 -13.932 0.646 2.071 1.00 65.30 O ATOM 121 CB LYS A 608 -16.897 1.698 1.152 1.00 40.45 C ATOM 122 CG LYS A 608 -18.187 2.463 1.392 1.00 55.34 C ATOM 123 CD LYS A 608 -17.923 3.939 1.639 1.00 52.02 C ATOM 124 CE LYS A 608 -19.138 4.788 1.298 1.00 22.10 C ATOM 125 NZ LYS A 608 -18.751 6.140 0.809 1.00 45.24 N ATOM 0 H LYS A 608 -15.389 3.029 2.782 1.00 30.34 H new ATOM 0 HA LYS A 608 -17.002 0.575 2.980 1.00 21.25 H new ATOM 0 HB2 LYS A 608 -16.184 2.353 0.651 1.00 40.45 H new ATOM 0 HB3 LYS A 608 -17.097 0.868 0.475 1.00 40.45 H new ATOM 0 HG2 LYS A 608 -18.844 2.349 0.530 1.00 55.34 H new ATOM 0 HG3 LYS A 608 -18.709 2.038 2.249 1.00 55.34 H new ATOM 0 HD2 LYS A 608 -17.653 4.091 2.684 1.00 52.02 H new ATOM 0 HD3 LYS A 608 -17.072 4.263 1.040 1.00 52.02 H new ATOM 0 HE2 LYS A 608 -19.732 4.283 0.536 1.00 22.10 H new ATOM 0 HE3 LYS A 608 -19.770 4.888 2.180 1.00 22.10 H new ATOM 0 HZ1 LYS A 608 -19.607 6.687 0.587 1.00 45.24 H new ATOM 0 HZ2 LYS A 608 -18.206 6.633 1.545 1.00 45.24 H new ATOM 0 HZ3 LYS A 608 -18.169 6.046 -0.048 1.00 45.24 H new ATOM 139 N PRO A 609 -15.406 -1.033 1.784 1.00 34.31 N ATOM 140 CA PRO A 609 -14.397 -2.034 1.426 1.00 63.55 C ATOM 141 C PRO A 609 -13.774 -1.766 0.060 1.00 75.23 C ATOM 142 O PRO A 609 -14.337 -1.037 -0.757 1.00 52.31 O ATOM 143 CB PRO A 609 -15.189 -3.344 1.404 1.00 1.04 C ATOM 144 CG PRO A 609 -16.594 -2.934 1.124 1.00 4.04 C ATOM 145 CD PRO A 609 -16.769 -1.590 1.776 1.00 32.44 C ATOM 0 HA PRO A 609 -13.560 -2.037 2.125 1.00 63.55 H new ATOM 0 HB2 PRO A 609 -14.814 -4.020 0.636 1.00 1.04 H new ATOM 0 HB3 PRO A 609 -15.112 -3.869 2.356 1.00 1.04 H new ATOM 0 HG2 PRO A 609 -16.777 -2.874 0.051 1.00 4.04 H new ATOM 0 HG3 PRO A 609 -17.300 -3.659 1.528 1.00 4.04 H new ATOM 0 HD2 PRO A 609 -17.458 -0.958 1.215 1.00 32.44 H new ATOM 0 HD3 PRO A 609 -17.171 -1.682 2.785 1.00 32.44 H new ATOM 153 N MET A 610 -12.610 -2.360 -0.182 1.00 34.33 N ATOM 154 CA MET A 610 -11.913 -2.185 -1.451 1.00 32.54 C ATOM 155 C MET A 610 -11.642 -3.533 -2.112 1.00 75.10 C ATOM 156 O MET A 610 -10.779 -4.290 -1.671 1.00 24.34 O ATOM 157 CB MET A 610 -10.596 -1.437 -1.234 1.00 61.24 C ATOM 158 CG MET A 610 -10.780 -0.021 -0.715 1.00 20.03 C ATOM 159 SD MET A 610 -10.553 1.225 -1.997 1.00 41.20 S ATOM 160 CE MET A 610 -8.818 1.004 -2.381 1.00 0.12 C ATOM 0 H MET A 610 -12.130 -2.966 0.483 1.00 34.33 H new ATOM 0 HA MET A 610 -12.552 -1.598 -2.111 1.00 32.54 H new ATOM 0 HB2 MET A 610 -9.982 -1.997 -0.529 1.00 61.24 H new ATOM 0 HB3 MET A 610 -10.048 -1.402 -2.176 1.00 61.24 H new ATOM 0 HG2 MET A 610 -11.779 0.079 -0.290 1.00 20.03 H new ATOM 0 HG3 MET A 610 -10.070 0.161 0.092 1.00 20.03 H new ATOM 0 HE1 MET A 610 -8.486 1.806 -3.040 1.00 0.12 H new ATOM 0 HE2 MET A 610 -8.236 1.027 -1.460 1.00 0.12 H new ATOM 0 HE3 MET A 610 -8.675 0.044 -2.877 1.00 0.12 H new ATOM 170 N SER A 611 -12.388 -3.827 -3.174 1.00 1.22 N ATOM 171 CA SER A 611 -12.230 -5.085 -3.893 1.00 34.02 C ATOM 172 C SER A 611 -10.854 -5.170 -4.545 1.00 22.24 C ATOM 173 O SER A 611 -10.278 -4.156 -4.941 1.00 31.20 O ATOM 174 CB SER A 611 -13.321 -5.227 -4.957 1.00 72.34 C ATOM 175 OG SER A 611 -14.000 -6.465 -4.828 1.00 13.42 O ATOM 0 H SER A 611 -13.107 -3.211 -3.554 1.00 1.22 H new ATOM 0 HA SER A 611 -12.322 -5.900 -3.175 1.00 34.02 H new ATOM 0 HB2 SER A 611 -14.033 -4.407 -4.865 1.00 72.34 H new ATOM 0 HB3 SER A 611 -12.877 -5.154 -5.950 1.00 72.34 H new ATOM 0 HG SER A 611 -14.693 -6.531 -5.518 1.00 13.42 H new ATOM 181 N TYR A 612 -10.332 -6.387 -4.652 1.00 50.22 N ATOM 182 CA TYR A 612 -9.021 -6.606 -5.253 1.00 53.12 C ATOM 183 C TYR A 612 -8.865 -5.788 -6.532 1.00 61.04 C ATOM 184 O TYR A 612 -7.780 -5.293 -6.836 1.00 11.04 O ATOM 185 CB TYR A 612 -8.818 -8.091 -5.555 1.00 41.24 C ATOM 186 CG TYR A 612 -9.987 -8.730 -6.270 1.00 12.03 C ATOM 187 CD1 TYR A 612 -10.092 -8.681 -7.654 1.00 52.21 C ATOM 188 CD2 TYR A 612 -10.987 -9.383 -5.560 1.00 73.10 C ATOM 189 CE1 TYR A 612 -11.160 -9.262 -8.310 1.00 53.51 C ATOM 190 CE2 TYR A 612 -12.057 -9.969 -6.208 1.00 53.41 C ATOM 191 CZ TYR A 612 -12.140 -9.905 -7.583 1.00 64.13 C ATOM 192 OH TYR A 612 -13.205 -10.486 -8.233 1.00 65.52 O ATOM 0 H TYR A 612 -10.796 -7.237 -4.331 1.00 50.22 H new ATOM 0 HA TYR A 612 -8.263 -6.280 -4.541 1.00 53.12 H new ATOM 0 HB2 TYR A 612 -7.922 -8.210 -6.164 1.00 41.24 H new ATOM 0 HB3 TYR A 612 -8.641 -8.622 -4.620 1.00 41.24 H new ATOM 0 HD1 TYR A 612 -9.326 -8.180 -8.227 1.00 52.21 H new ATOM 0 HD2 TYR A 612 -10.927 -9.433 -4.483 1.00 73.10 H new ATOM 0 HE1 TYR A 612 -11.227 -9.213 -9.387 1.00 53.51 H new ATOM 0 HE2 TYR A 612 -12.824 -10.475 -5.641 1.00 53.41 H new ATOM 0 HH TYR A 612 -13.804 -10.898 -7.576 1.00 65.52 H new ATOM 202 N GLU A 613 -9.958 -5.653 -7.278 1.00 12.25 N ATOM 203 CA GLU A 613 -9.942 -4.896 -8.523 1.00 70.55 C ATOM 204 C GLU A 613 -9.304 -3.525 -8.319 1.00 54.32 C ATOM 205 O GLU A 613 -8.433 -3.116 -9.085 1.00 43.51 O ATOM 206 CB GLU A 613 -11.364 -4.733 -9.065 1.00 31.33 C ATOM 207 CG GLU A 613 -11.645 -5.573 -10.300 1.00 13.21 C ATOM 208 CD GLU A 613 -12.530 -4.858 -11.303 1.00 5.54 C ATOM 209 OE1 GLU A 613 -12.147 -3.756 -11.750 1.00 13.03 O ATOM 210 OE2 GLU A 613 -13.603 -5.398 -11.640 1.00 20.43 O ATOM 0 H GLU A 613 -10.864 -6.058 -7.041 1.00 12.25 H new ATOM 0 HA GLU A 613 -9.346 -5.451 -9.247 1.00 70.55 H new ATOM 0 HB2 GLU A 613 -12.075 -5.002 -8.284 1.00 31.33 H new ATOM 0 HB3 GLU A 613 -11.535 -3.683 -9.303 1.00 31.33 H new ATOM 0 HG2 GLU A 613 -10.701 -5.837 -10.777 1.00 13.21 H new ATOM 0 HG3 GLU A 613 -12.123 -6.506 -10.000 1.00 13.21 H new ATOM 217 N GLU A 614 -9.746 -2.821 -7.282 1.00 74.12 N ATOM 218 CA GLU A 614 -9.220 -1.495 -6.978 1.00 62.54 C ATOM 219 C GLU A 614 -7.880 -1.596 -6.254 1.00 41.13 C ATOM 220 O GLU A 614 -6.994 -0.762 -6.445 1.00 23.21 O ATOM 221 CB GLU A 614 -10.216 -0.710 -6.124 1.00 43.11 C ATOM 222 CG GLU A 614 -11.056 0.275 -6.919 1.00 64.33 C ATOM 223 CD GLU A 614 -12.315 -0.354 -7.484 1.00 62.10 C ATOM 224 OE1 GLU A 614 -13.223 -0.678 -6.691 1.00 31.23 O ATOM 225 OE2 GLU A 614 -12.390 -0.522 -8.718 1.00 75.35 O ATOM 0 H GLU A 614 -10.467 -3.146 -6.638 1.00 74.12 H new ATOM 0 HA GLU A 614 -9.067 -0.968 -7.920 1.00 62.54 H new ATOM 0 HB2 GLU A 614 -10.878 -1.411 -5.616 1.00 43.11 H new ATOM 0 HB3 GLU A 614 -9.671 -0.168 -5.351 1.00 43.11 H new ATOM 0 HG2 GLU A 614 -11.329 1.113 -6.278 1.00 64.33 H new ATOM 0 HG3 GLU A 614 -10.459 0.680 -7.736 1.00 64.33 H new ATOM 232 N LYS A 615 -7.738 -2.622 -5.422 1.00 74.01 N ATOM 233 CA LYS A 615 -6.508 -2.833 -4.669 1.00 71.43 C ATOM 234 C LYS A 615 -5.324 -3.042 -5.609 1.00 34.21 C ATOM 235 O LYS A 615 -4.223 -2.555 -5.352 1.00 62.54 O ATOM 236 CB LYS A 615 -6.655 -4.040 -3.741 1.00 62.01 C ATOM 237 CG LYS A 615 -7.953 -4.046 -2.952 1.00 4.44 C ATOM 238 CD LYS A 615 -7.756 -4.619 -1.558 1.00 2.11 C ATOM 239 CE LYS A 615 -7.585 -6.130 -1.596 1.00 31.01 C ATOM 240 NZ LYS A 615 -8.663 -6.829 -0.842 1.00 2.52 N ATOM 0 H LYS A 615 -8.461 -3.321 -5.252 1.00 74.01 H new ATOM 0 HA LYS A 615 -6.321 -1.942 -4.069 1.00 71.43 H new ATOM 0 HB2 LYS A 615 -6.596 -4.953 -4.334 1.00 62.01 H new ATOM 0 HB3 LYS A 615 -5.816 -4.057 -3.045 1.00 62.01 H new ATOM 0 HG2 LYS A 615 -8.339 -3.029 -2.877 1.00 4.44 H new ATOM 0 HG3 LYS A 615 -8.701 -4.633 -3.485 1.00 4.44 H new ATOM 0 HD2 LYS A 615 -6.879 -4.164 -1.097 1.00 2.11 H new ATOM 0 HD3 LYS A 615 -8.613 -4.364 -0.934 1.00 2.11 H new ATOM 0 HE2 LYS A 615 -7.587 -6.470 -2.632 1.00 31.01 H new ATOM 0 HE3 LYS A 615 -6.616 -6.397 -1.175 1.00 31.01 H new ATOM 0 HZ1 LYS A 615 -8.511 -7.857 -0.892 1.00 2.52 H new ATOM 0 HZ2 LYS A 615 -8.645 -6.524 0.152 1.00 2.52 H new ATOM 0 HZ3 LYS A 615 -9.586 -6.595 -1.259 1.00 2.52 H new ATOM 254 N ARG A 616 -5.560 -3.768 -6.697 1.00 63.22 N ATOM 255 CA ARG A 616 -4.512 -4.041 -7.674 1.00 13.20 C ATOM 256 C ARG A 616 -4.112 -2.767 -8.411 1.00 44.24 C ATOM 257 O ARG A 616 -2.925 -2.485 -8.582 1.00 72.12 O ATOM 258 CB ARG A 616 -4.984 -5.096 -8.677 1.00 73.34 C ATOM 259 CG ARG A 616 -4.528 -6.506 -8.337 1.00 14.42 C ATOM 260 CD ARG A 616 -4.237 -7.314 -9.591 1.00 60.50 C ATOM 261 NE ARG A 616 -5.416 -8.037 -10.063 1.00 61.41 N ATOM 262 CZ ARG A 616 -5.536 -8.523 -11.293 1.00 14.41 C ATOM 263 NH1 ARG A 616 -4.556 -8.365 -12.171 1.00 70.02 N ATOM 264 NH2 ARG A 616 -6.640 -9.170 -11.647 1.00 52.52 N ATOM 0 H ARG A 616 -6.466 -4.177 -6.924 1.00 63.22 H new ATOM 0 HA ARG A 616 -3.641 -4.420 -7.140 1.00 13.20 H new ATOM 0 HB2 ARG A 616 -6.073 -5.077 -8.726 1.00 73.34 H new ATOM 0 HB3 ARG A 616 -4.616 -4.833 -9.669 1.00 73.34 H new ATOM 0 HG2 ARG A 616 -3.633 -6.461 -7.716 1.00 14.42 H new ATOM 0 HG3 ARG A 616 -5.298 -7.007 -7.750 1.00 14.42 H new ATOM 0 HD2 ARG A 616 -3.882 -6.648 -10.377 1.00 60.50 H new ATOM 0 HD3 ARG A 616 -3.435 -8.023 -9.387 1.00 60.50 H new ATOM 0 HE ARG A 616 -6.189 -8.176 -9.412 1.00 61.41 H new ATOM 0 HH11 ARG A 616 -3.706 -7.869 -11.903 1.00 70.02 H new ATOM 0 HH12 ARG A 616 -4.652 -8.740 -13.115 1.00 70.02 H new ATOM 0 HH21 ARG A 616 -7.396 -9.294 -10.974 1.00 52.52 H new ATOM 0 HH22 ARG A 616 -6.732 -9.543 -12.592 1.00 52.52 H new ATOM 278 N GLN A 617 -5.108 -2.002 -8.845 1.00 44.14 N ATOM 279 CA GLN A 617 -4.858 -0.758 -9.566 1.00 21.34 C ATOM 280 C GLN A 617 -3.966 0.173 -8.750 1.00 32.21 C ATOM 281 O GLN A 617 -3.221 0.980 -9.306 1.00 24.31 O ATOM 282 CB GLN A 617 -6.179 -0.060 -9.895 1.00 21.52 C ATOM 283 CG GLN A 617 -6.005 1.359 -10.408 1.00 13.22 C ATOM 284 CD GLN A 617 -5.293 1.414 -11.746 1.00 30.24 C ATOM 285 OE1 GLN A 617 -5.382 0.483 -12.547 1.00 54.15 O ATOM 286 NE2 GLN A 617 -4.580 2.506 -11.994 1.00 13.20 N ATOM 0 H GLN A 617 -6.095 -2.221 -8.711 1.00 44.14 H new ATOM 0 HA GLN A 617 -4.344 -1.002 -10.495 1.00 21.34 H new ATOM 0 HB2 GLN A 617 -6.713 -0.645 -10.644 1.00 21.52 H new ATOM 0 HB3 GLN A 617 -6.803 -0.041 -9.001 1.00 21.52 H new ATOM 0 HG2 GLN A 617 -6.984 1.830 -10.502 1.00 13.22 H new ATOM 0 HG3 GLN A 617 -5.442 1.939 -9.677 1.00 13.22 H new ATOM 0 HE21 GLN A 617 -4.534 3.253 -11.301 1.00 13.20 H new ATOM 0 HE22 GLN A 617 -4.078 2.598 -12.877 1.00 13.20 H new ATOM 295 N LEU A 618 -4.050 0.056 -7.429 1.00 11.20 N ATOM 296 CA LEU A 618 -3.251 0.889 -6.536 1.00 65.42 C ATOM 297 C LEU A 618 -1.876 0.271 -6.301 1.00 34.52 C ATOM 298 O LEU A 618 -0.901 0.979 -6.053 1.00 65.23 O ATOM 299 CB LEU A 618 -3.973 1.077 -5.201 1.00 51.50 C ATOM 300 CG LEU A 618 -3.546 0.143 -4.068 1.00 60.33 C ATOM 301 CD1 LEU A 618 -2.387 0.744 -3.289 1.00 34.42 C ATOM 302 CD2 LEU A 618 -4.720 -0.147 -3.144 1.00 41.35 C ATOM 0 H LEU A 618 -4.662 -0.607 -6.953 1.00 11.20 H new ATOM 0 HA LEU A 618 -3.116 1.862 -7.009 1.00 65.42 H new ATOM 0 HB2 LEU A 618 -3.824 2.106 -4.872 1.00 51.50 H new ATOM 0 HB3 LEU A 618 -5.042 0.947 -5.368 1.00 51.50 H new ATOM 0 HG LEU A 618 -3.213 -0.798 -4.505 1.00 60.33 H new ATOM 0 HD11 LEU A 618 -2.097 0.065 -2.487 1.00 34.42 H new ATOM 0 HD12 LEU A 618 -1.540 0.898 -3.958 1.00 34.42 H new ATOM 0 HD13 LEU A 618 -2.692 1.700 -2.863 1.00 34.42 H new ATOM 0 HD21 LEU A 618 -4.397 -0.813 -2.344 1.00 41.35 H new ATOM 0 HD22 LEU A 618 -5.084 0.786 -2.714 1.00 41.35 H new ATOM 0 HD23 LEU A 618 -5.521 -0.622 -3.711 1.00 41.35 H new ATOM 314 N SER A 619 -1.807 -1.054 -6.382 1.00 32.51 N ATOM 315 CA SER A 619 -0.552 -1.769 -6.176 1.00 13.15 C ATOM 316 C SER A 619 0.456 -1.421 -7.267 1.00 0.53 C ATOM 317 O SER A 619 1.621 -1.136 -6.983 1.00 53.52 O ATOM 318 CB SER A 619 -0.797 -3.278 -6.155 1.00 54.04 C ATOM 319 OG SER A 619 -0.979 -3.783 -7.467 1.00 34.31 O ATOM 0 H SER A 619 -2.605 -1.654 -6.589 1.00 32.51 H new ATOM 0 HA SER A 619 -0.141 -1.462 -5.214 1.00 13.15 H new ATOM 0 HB2 SER A 619 0.047 -3.780 -5.682 1.00 54.04 H new ATOM 0 HB3 SER A 619 -1.678 -3.498 -5.552 1.00 54.04 H new ATOM 0 HG SER A 619 -1.714 -3.303 -7.903 1.00 34.31 H new ATOM 325 N LEU A 620 0.001 -1.444 -8.514 1.00 70.31 N ATOM 326 CA LEU A 620 0.862 -1.132 -9.649 1.00 72.12 C ATOM 327 C LEU A 620 1.061 0.374 -9.782 1.00 41.52 C ATOM 328 O LEU A 620 2.165 0.842 -10.063 1.00 64.00 O ATOM 329 CB LEU A 620 0.262 -1.694 -10.939 1.00 61.21 C ATOM 330 CG LEU A 620 0.849 -1.153 -12.244 1.00 1.42 C ATOM 331 CD1 LEU A 620 2.257 -1.686 -12.458 1.00 11.12 C ATOM 332 CD2 LEU A 620 -0.045 -1.514 -13.421 1.00 62.23 C ATOM 0 H LEU A 620 -0.960 -1.676 -8.765 1.00 70.31 H new ATOM 0 HA LEU A 620 1.833 -1.595 -9.475 1.00 72.12 H new ATOM 0 HB2 LEU A 620 0.384 -2.777 -10.931 1.00 61.21 H new ATOM 0 HB3 LEU A 620 -0.809 -1.493 -10.935 1.00 61.21 H new ATOM 0 HG LEU A 620 0.901 -0.067 -12.173 1.00 1.42 H new ATOM 0 HD11 LEU A 620 2.658 -1.290 -13.391 1.00 11.12 H new ATOM 0 HD12 LEU A 620 2.893 -1.376 -11.629 1.00 11.12 H new ATOM 0 HD13 LEU A 620 2.230 -2.775 -12.507 1.00 11.12 H new ATOM 0 HD21 LEU A 620 0.388 -1.121 -14.341 1.00 62.23 H new ATOM 0 HD22 LEU A 620 -0.130 -2.598 -13.494 1.00 62.23 H new ATOM 0 HD23 LEU A 620 -1.034 -1.082 -13.272 1.00 62.23 H new ATOM 344 N ASP A 621 -0.012 1.129 -9.576 1.00 1.33 N ATOM 345 CA ASP A 621 0.045 2.583 -9.669 1.00 11.11 C ATOM 346 C ASP A 621 1.201 3.135 -8.841 1.00 0.20 C ATOM 347 O ASP A 621 2.086 3.813 -9.366 1.00 13.42 O ATOM 348 CB ASP A 621 -1.274 3.199 -9.200 1.00 61.52 C ATOM 349 CG ASP A 621 -2.242 3.432 -10.343 1.00 75.54 C ATOM 350 OD1 ASP A 621 -1.938 3.004 -11.477 1.00 0.15 O ATOM 351 OD2 ASP A 621 -3.306 4.040 -10.104 1.00 0.44 O ATOM 0 H ASP A 621 -0.933 0.758 -9.343 1.00 1.33 H new ATOM 0 HA ASP A 621 0.209 2.849 -10.713 1.00 11.11 H new ATOM 0 HB2 ASP A 621 -1.737 2.542 -8.464 1.00 61.52 H new ATOM 0 HB3 ASP A 621 -1.072 4.146 -8.700 1.00 61.52 H new ATOM 356 N ILE A 622 1.187 2.841 -7.546 1.00 1.33 N ATOM 357 CA ILE A 622 2.235 3.309 -6.646 1.00 1.13 C ATOM 358 C ILE A 622 3.608 2.831 -7.105 1.00 32.12 C ATOM 359 O ILE A 622 4.591 3.565 -7.021 1.00 1.20 O ATOM 360 CB ILE A 622 1.993 2.828 -5.203 1.00 11.30 C ATOM 361 CG1 ILE A 622 0.768 3.526 -4.608 1.00 13.23 C ATOM 362 CG2 ILE A 622 3.223 3.084 -4.346 1.00 72.01 C ATOM 363 CD1 ILE A 622 0.089 2.730 -3.517 1.00 35.40 C ATOM 0 H ILE A 622 0.463 2.281 -7.096 1.00 1.33 H new ATOM 0 HA ILE A 622 2.206 4.398 -6.668 1.00 1.13 H new ATOM 0 HB ILE A 622 1.803 1.755 -5.221 1.00 11.30 H new ATOM 0 HG12 ILE A 622 1.071 4.493 -4.206 1.00 13.23 H new ATOM 0 HG13 ILE A 622 0.050 3.722 -5.404 1.00 13.23 H new ATOM 0 HG21 ILE A 622 3.036 2.739 -3.329 1.00 72.01 H new ATOM 0 HG22 ILE A 622 4.075 2.545 -4.762 1.00 72.01 H new ATOM 0 HG23 ILE A 622 3.441 4.152 -4.332 1.00 72.01 H new ATOM 0 HD11 ILE A 622 -0.770 3.286 -3.142 1.00 35.40 H new ATOM 0 HD12 ILE A 622 -0.245 1.773 -3.919 1.00 35.40 H new ATOM 0 HD13 ILE A 622 0.792 2.556 -2.702 1.00 35.40 H new ATOM 375 N ASN A 623 3.666 1.595 -7.592 1.00 50.40 N ATOM 376 CA ASN A 623 4.919 1.019 -8.067 1.00 11.41 C ATOM 377 C ASN A 623 5.496 1.843 -9.215 1.00 43.20 C ATOM 378 O ASN A 623 6.710 2.021 -9.317 1.00 61.21 O ATOM 379 CB ASN A 623 4.700 -0.426 -8.520 1.00 45.45 C ATOM 380 CG ASN A 623 5.791 -0.908 -9.458 1.00 12.24 C ATOM 381 OD1 ASN A 623 5.511 -1.470 -10.517 1.00 13.42 O ATOM 382 ND2 ASN A 623 7.042 -0.691 -9.070 1.00 71.42 N ATOM 0 H ASN A 623 2.861 0.974 -7.668 1.00 50.40 H new ATOM 0 HA ASN A 623 5.632 1.030 -7.242 1.00 11.41 H new ATOM 0 HB2 ASN A 623 4.662 -1.076 -7.646 1.00 45.45 H new ATOM 0 HB3 ASN A 623 3.734 -0.505 -9.019 1.00 45.45 H new ATOM 0 HD21 ASN A 623 7.818 -0.994 -9.658 1.00 71.42 H new ATOM 0 HD22 ASN A 623 7.227 -0.221 -8.184 1.00 71.42 H new ATOM 389 N LYS A 624 4.617 2.344 -10.076 1.00 2.34 N ATOM 390 CA LYS A 624 5.038 3.151 -11.216 1.00 75.42 C ATOM 391 C LYS A 624 5.542 4.516 -10.760 1.00 22.03 C ATOM 392 O LYS A 624 6.393 5.124 -11.413 1.00 15.05 O ATOM 393 CB LYS A 624 3.877 3.326 -12.198 1.00 51.41 C ATOM 394 CG LYS A 624 4.264 4.052 -13.474 1.00 63.11 C ATOM 395 CD LYS A 624 3.423 3.593 -14.654 1.00 62.52 C ATOM 396 CE LYS A 624 2.361 4.620 -15.015 1.00 42.03 C ATOM 397 NZ LYS A 624 2.863 5.612 -16.006 1.00 72.02 N ATOM 0 H LYS A 624 3.609 2.206 -10.006 1.00 2.34 H new ATOM 0 HA LYS A 624 5.855 2.631 -11.716 1.00 75.42 H new ATOM 0 HB2 LYS A 624 3.478 2.345 -12.455 1.00 51.41 H new ATOM 0 HB3 LYS A 624 3.075 3.877 -11.706 1.00 51.41 H new ATOM 0 HG2 LYS A 624 4.141 5.126 -13.334 1.00 63.11 H new ATOM 0 HG3 LYS A 624 5.318 3.877 -13.688 1.00 63.11 H new ATOM 0 HD2 LYS A 624 4.068 3.417 -15.515 1.00 62.52 H new ATOM 0 HD3 LYS A 624 2.945 2.643 -14.414 1.00 62.52 H new ATOM 0 HE2 LYS A 624 1.487 4.111 -15.421 1.00 42.03 H new ATOM 0 HE3 LYS A 624 2.037 5.140 -14.113 1.00 42.03 H new ATOM 0 HZ1 LYS A 624 2.110 6.295 -16.226 1.00 72.02 H new ATOM 0 HZ2 LYS A 624 3.682 6.116 -15.609 1.00 72.02 H new ATOM 0 HZ3 LYS A 624 3.149 5.119 -16.876 1.00 72.02 H new ATOM 411 N LEU A 625 5.017 4.991 -9.637 1.00 13.12 N ATOM 412 CA LEU A 625 5.416 6.284 -9.093 1.00 13.13 C ATOM 413 C LEU A 625 6.857 6.244 -8.595 1.00 12.51 C ATOM 414 O LEU A 625 7.422 5.181 -8.339 1.00 34.05 O ATOM 415 CB LEU A 625 4.481 6.690 -7.951 1.00 42.12 C ATOM 416 CG LEU A 625 3.139 7.293 -8.365 1.00 71.21 C ATOM 417 CD1 LEU A 625 2.304 7.629 -7.138 1.00 72.13 C ATOM 418 CD2 LEU A 625 3.352 8.530 -9.224 1.00 15.31 C ATOM 0 H LEU A 625 4.314 4.500 -9.085 1.00 13.12 H new ATOM 0 HA LEU A 625 5.347 7.023 -9.891 1.00 13.13 H new ATOM 0 HB2 LEU A 625 4.287 5.811 -7.337 1.00 42.12 H new ATOM 0 HB3 LEU A 625 5.002 7.411 -7.321 1.00 42.12 H new ATOM 0 HG LEU A 625 2.597 6.555 -8.956 1.00 71.21 H new ATOM 0 HD11 LEU A 625 1.352 8.057 -7.452 1.00 72.13 H new ATOM 0 HD12 LEU A 625 2.121 6.722 -6.562 1.00 72.13 H new ATOM 0 HD13 LEU A 625 2.840 8.349 -6.520 1.00 72.13 H new ATOM 0 HD21 LEU A 625 2.386 8.946 -9.509 1.00 15.31 H new ATOM 0 HD22 LEU A 625 3.914 9.273 -8.659 1.00 15.31 H new ATOM 0 HD23 LEU A 625 3.909 8.259 -10.121 1.00 15.31 H new ATOM 430 N PRO A 626 7.468 7.430 -8.454 1.00 11.44 N ATOM 431 CA PRO A 626 8.850 7.558 -7.983 1.00 73.34 C ATOM 432 C PRO A 626 8.996 7.196 -6.510 1.00 23.20 C ATOM 433 O PRO A 626 8.010 7.118 -5.779 1.00 20.42 O ATOM 434 CB PRO A 626 9.165 9.039 -8.204 1.00 53.50 C ATOM 435 CG PRO A 626 7.839 9.718 -8.165 1.00 30.32 C ATOM 436 CD PRO A 626 6.855 8.738 -8.741 1.00 53.02 C ATOM 0 HA PRO A 626 9.524 6.882 -8.509 1.00 73.34 H new ATOM 0 HB2 PRO A 626 9.829 9.422 -7.429 1.00 53.50 H new ATOM 0 HB3 PRO A 626 9.664 9.199 -9.160 1.00 53.50 H new ATOM 0 HG2 PRO A 626 7.569 9.988 -7.144 1.00 30.32 H new ATOM 0 HG3 PRO A 626 7.856 10.641 -8.745 1.00 30.32 H new ATOM 0 HD2 PRO A 626 5.874 8.833 -8.275 1.00 53.02 H new ATOM 0 HD3 PRO A 626 6.716 8.890 -9.811 1.00 53.02 H new ATOM 444 N GLY A 627 10.236 6.977 -6.079 1.00 53.22 N ATOM 445 CA GLY A 627 10.489 6.626 -4.694 1.00 15.13 C ATOM 446 C GLY A 627 9.838 7.592 -3.723 1.00 51.52 C ATOM 447 O GLY A 627 9.234 7.177 -2.736 1.00 31.34 O ATOM 0 H GLY A 627 11.069 7.037 -6.665 1.00 53.22 H new ATOM 0 HA2 GLY A 627 10.118 5.619 -4.504 1.00 15.13 H new ATOM 0 HA3 GLY A 627 11.564 6.608 -4.518 1.00 15.13 H new ATOM 451 N GLU A 628 9.964 8.886 -4.004 1.00 64.34 N ATOM 452 CA GLU A 628 9.386 9.913 -3.146 1.00 61.14 C ATOM 453 C GLU A 628 7.927 9.598 -2.828 1.00 63.31 C ATOM 454 O GLU A 628 7.470 9.789 -1.701 1.00 1.34 O ATOM 455 CB GLU A 628 9.488 11.285 -3.816 1.00 0.32 C ATOM 456 CG GLU A 628 9.084 12.436 -2.910 1.00 40.02 C ATOM 457 CD GLU A 628 9.789 13.731 -3.262 1.00 45.35 C ATOM 458 OE1 GLU A 628 11.009 13.688 -3.529 1.00 1.35 O ATOM 459 OE2 GLU A 628 9.124 14.787 -3.272 1.00 34.34 O ATOM 0 H GLU A 628 10.461 9.247 -4.818 1.00 64.34 H new ATOM 0 HA GLU A 628 9.948 9.929 -2.212 1.00 61.14 H new ATOM 0 HB2 GLU A 628 10.513 11.441 -4.152 1.00 0.32 H new ATOM 0 HB3 GLU A 628 8.857 11.294 -4.704 1.00 0.32 H new ATOM 0 HG2 GLU A 628 8.006 12.584 -2.976 1.00 40.02 H new ATOM 0 HG3 GLU A 628 9.307 12.175 -1.876 1.00 40.02 H new ATOM 466 N LYS A 629 7.200 9.114 -3.829 1.00 65.45 N ATOM 467 CA LYS A 629 5.793 8.771 -3.658 1.00 70.50 C ATOM 468 C LYS A 629 5.640 7.512 -2.811 1.00 72.31 C ATOM 469 O LYS A 629 4.700 7.393 -2.023 1.00 61.54 O ATOM 470 CB LYS A 629 5.128 8.566 -5.021 1.00 42.11 C ATOM 471 CG LYS A 629 5.017 9.840 -5.841 1.00 34.23 C ATOM 472 CD LYS A 629 4.118 10.861 -5.164 1.00 54.41 C ATOM 473 CE LYS A 629 4.864 12.156 -4.876 1.00 72.32 C ATOM 474 NZ LYS A 629 4.795 13.103 -6.023 1.00 50.21 N ATOM 0 H LYS A 629 7.562 8.950 -4.768 1.00 65.45 H new ATOM 0 HA LYS A 629 5.303 9.597 -3.142 1.00 70.50 H new ATOM 0 HB2 LYS A 629 5.697 7.828 -5.586 1.00 42.11 H new ATOM 0 HB3 LYS A 629 4.131 8.152 -4.871 1.00 42.11 H new ATOM 0 HG2 LYS A 629 6.009 10.267 -5.987 1.00 34.23 H new ATOM 0 HG3 LYS A 629 4.622 9.605 -6.829 1.00 34.23 H new ATOM 0 HD2 LYS A 629 3.258 11.069 -5.801 1.00 54.41 H new ATOM 0 HD3 LYS A 629 3.732 10.447 -4.232 1.00 54.41 H new ATOM 0 HE2 LYS A 629 4.442 12.629 -3.989 1.00 72.32 H new ATOM 0 HE3 LYS A 629 5.907 11.932 -4.652 1.00 72.32 H new ATOM 0 HZ1 LYS A 629 5.424 13.912 -5.844 1.00 50.21 H new ATOM 0 HZ2 LYS A 629 5.095 12.617 -6.893 1.00 50.21 H new ATOM 0 HZ3 LYS A 629 3.818 13.442 -6.135 1.00 50.21 H new ATOM 488 N LEU A 630 6.567 6.576 -2.977 1.00 61.43 N ATOM 489 CA LEU A 630 6.535 5.325 -2.226 1.00 25.01 C ATOM 490 C LEU A 630 6.696 5.583 -0.732 1.00 12.41 C ATOM 491 O LEU A 630 5.788 5.320 0.055 1.00 63.11 O ATOM 492 CB LEU A 630 7.639 4.386 -2.715 1.00 21.43 C ATOM 493 CG LEU A 630 7.208 2.955 -3.039 1.00 23.41 C ATOM 494 CD1 LEU A 630 7.561 2.604 -4.476 1.00 40.15 C ATOM 495 CD2 LEU A 630 7.855 1.972 -2.074 1.00 13.31 C ATOM 0 H LEU A 630 7.350 6.659 -3.625 1.00 61.43 H new ATOM 0 HA LEU A 630 5.566 4.854 -2.392 1.00 25.01 H new ATOM 0 HB2 LEU A 630 8.088 4.820 -3.608 1.00 21.43 H new ATOM 0 HB3 LEU A 630 8.418 4.346 -1.954 1.00 21.43 H new ATOM 0 HG LEU A 630 6.126 2.887 -2.925 1.00 23.41 H new ATOM 0 HD11 LEU A 630 7.247 1.582 -4.689 1.00 40.15 H new ATOM 0 HD12 LEU A 630 7.051 3.289 -5.154 1.00 40.15 H new ATOM 0 HD13 LEU A 630 8.638 2.689 -4.617 1.00 40.15 H new ATOM 0 HD21 LEU A 630 7.537 0.959 -2.319 1.00 13.31 H new ATOM 0 HD22 LEU A 630 8.940 2.042 -2.156 1.00 13.31 H new ATOM 0 HD23 LEU A 630 7.552 2.210 -1.054 1.00 13.31 H new ATOM 507 N GLY A 631 7.858 6.103 -0.348 1.00 32.01 N ATOM 508 CA GLY A 631 8.115 6.391 1.051 1.00 23.43 C ATOM 509 C GLY A 631 6.927 7.032 1.741 1.00 64.23 C ATOM 510 O GLY A 631 6.668 6.772 2.916 1.00 41.43 O ATOM 0 H GLY A 631 8.625 6.330 -0.980 1.00 32.01 H new ATOM 0 HA2 GLY A 631 8.375 5.467 1.567 1.00 23.43 H new ATOM 0 HA3 GLY A 631 8.977 7.053 1.130 1.00 23.43 H new ATOM 514 N ARG A 632 6.203 7.871 1.008 1.00 31.14 N ATOM 515 CA ARG A 632 5.037 8.553 1.557 1.00 11.32 C ATOM 516 C ARG A 632 3.869 7.585 1.725 1.00 63.11 C ATOM 517 O ARG A 632 3.300 7.464 2.809 1.00 51.32 O ATOM 518 CB ARG A 632 4.624 9.714 0.649 1.00 22.34 C ATOM 519 CG ARG A 632 4.953 11.082 1.222 1.00 20.23 C ATOM 520 CD ARG A 632 5.519 12.010 0.159 1.00 0.43 C ATOM 521 NE ARG A 632 5.115 13.398 0.372 1.00 34.43 N ATOM 522 CZ ARG A 632 5.680 14.198 1.269 1.00 32.12 C ATOM 523 NH1 ARG A 632 6.668 13.751 2.032 1.00 61.52 N ATOM 524 NH2 ARG A 632 5.257 15.448 1.405 1.00 72.24 N ATOM 0 H ARG A 632 6.403 8.095 0.033 1.00 31.14 H new ATOM 0 HA ARG A 632 5.306 8.945 2.538 1.00 11.32 H new ATOM 0 HB2 ARG A 632 5.120 9.604 -0.315 1.00 22.34 H new ATOM 0 HB3 ARG A 632 3.551 9.655 0.464 1.00 22.34 H new ATOM 0 HG2 ARG A 632 4.054 11.524 1.651 1.00 20.23 H new ATOM 0 HG3 ARG A 632 5.673 10.974 2.033 1.00 20.23 H new ATOM 0 HD2 ARG A 632 6.607 11.945 0.163 1.00 0.43 H new ATOM 0 HD3 ARG A 632 5.183 11.682 -0.825 1.00 0.43 H new ATOM 0 HE ARG A 632 4.358 13.773 -0.199 1.00 34.43 H new ATOM 0 HH11 ARG A 632 6.996 12.790 1.931 1.00 61.52 H new ATOM 0 HH12 ARG A 632 7.100 14.368 2.720 1.00 61.52 H new ATOM 0 HH21 ARG A 632 4.497 15.796 0.820 1.00 72.24 H new ATOM 0 HH22 ARG A 632 5.692 16.061 2.094 1.00 72.24 H new ATOM 538 N VAL A 633 3.519 6.895 0.643 1.00 11.33 N ATOM 539 CA VAL A 633 2.421 5.937 0.671 1.00 74.31 C ATOM 540 C VAL A 633 2.737 4.765 1.593 1.00 14.31 C ATOM 541 O VAL A 633 1.956 4.435 2.486 1.00 55.44 O ATOM 542 CB VAL A 633 2.111 5.398 -0.738 1.00 52.22 C ATOM 543 CG1 VAL A 633 0.949 4.417 -0.692 1.00 74.23 C ATOM 544 CG2 VAL A 633 1.813 6.544 -1.693 1.00 52.55 C ATOM 0 H VAL A 633 3.980 6.982 -0.263 1.00 11.33 H new ATOM 0 HA VAL A 633 1.548 6.468 1.050 1.00 74.31 H new ATOM 0 HB VAL A 633 2.989 4.867 -1.105 1.00 52.22 H new ATOM 0 HG11 VAL A 633 0.745 4.047 -1.697 1.00 74.23 H new ATOM 0 HG12 VAL A 633 1.205 3.580 -0.042 1.00 74.23 H new ATOM 0 HG13 VAL A 633 0.063 4.920 -0.304 1.00 74.23 H new ATOM 0 HG21 VAL A 633 1.596 6.145 -2.684 1.00 52.55 H new ATOM 0 HG22 VAL A 633 0.951 7.105 -1.331 1.00 52.55 H new ATOM 0 HG23 VAL A 633 2.678 7.205 -1.749 1.00 52.55 H new ATOM 554 N VAL A 634 3.887 4.138 1.372 1.00 43.14 N ATOM 555 CA VAL A 634 4.309 3.004 2.184 1.00 35.42 C ATOM 556 C VAL A 634 4.167 3.308 3.671 1.00 42.53 C ATOM 557 O VAL A 634 3.885 2.420 4.474 1.00 75.21 O ATOM 558 CB VAL A 634 5.769 2.612 1.888 1.00 51.03 C ATOM 559 CG1 VAL A 634 5.986 2.452 0.391 1.00 51.13 C ATOM 560 CG2 VAL A 634 6.725 3.645 2.466 1.00 14.13 C ATOM 0 H VAL A 634 4.544 4.397 0.636 1.00 43.14 H new ATOM 0 HA VAL A 634 3.657 2.170 1.923 1.00 35.42 H new ATOM 0 HB VAL A 634 5.974 1.654 2.365 1.00 51.03 H new ATOM 0 HG11 VAL A 634 7.023 2.175 0.201 1.00 51.13 H new ATOM 0 HG12 VAL A 634 5.327 1.673 0.009 1.00 51.13 H new ATOM 0 HG13 VAL A 634 5.764 3.393 -0.111 1.00 51.13 H new ATOM 0 HG21 VAL A 634 7.752 3.352 2.248 1.00 14.13 H new ATOM 0 HG22 VAL A 634 6.522 4.618 2.019 1.00 14.13 H new ATOM 0 HG23 VAL A 634 6.586 3.705 3.545 1.00 14.13 H new ATOM 570 N HIS A 635 4.366 4.573 4.031 1.00 42.22 N ATOM 571 CA HIS A 635 4.260 4.996 5.423 1.00 54.44 C ATOM 572 C HIS A 635 2.808 4.966 5.890 1.00 12.05 C ATOM 573 O HIS A 635 2.522 4.614 7.036 1.00 40.33 O ATOM 574 CB HIS A 635 4.833 6.404 5.594 1.00 50.31 C ATOM 575 CG HIS A 635 6.319 6.428 5.772 1.00 23.45 C ATOM 576 ND1 HIS A 635 7.015 7.559 6.141 1.00 4.11 N ATOM 577 CD2 HIS A 635 7.243 5.448 5.632 1.00 24.23 C ATOM 578 CE1 HIS A 635 8.304 7.275 6.218 1.00 10.42 C ATOM 579 NE2 HIS A 635 8.468 6.001 5.915 1.00 5.14 N ATOM 0 H HIS A 635 4.601 5.321 3.379 1.00 42.22 H new ATOM 0 HA HIS A 635 4.835 4.300 6.034 1.00 54.44 H new ATOM 0 HB2 HIS A 635 4.570 7.003 4.722 1.00 50.31 H new ATOM 0 HB3 HIS A 635 4.364 6.876 6.458 1.00 50.31 H new ATOM 0 HD2 HIS A 635 7.052 4.423 5.350 1.00 24.23 H new ATOM 0 HE1 HIS A 635 9.089 7.968 6.484 1.00 10.42 H new ATOM 0 HE2 HIS A 635 9.360 5.507 5.894 1.00 5.14 H new ATOM 587 N ILE A 636 1.895 5.336 4.998 1.00 63.23 N ATOM 588 CA ILE A 636 0.474 5.349 5.321 1.00 71.25 C ATOM 589 C ILE A 636 0.006 3.979 5.798 1.00 12.23 C ATOM 590 O ILE A 636 -0.822 3.876 6.703 1.00 14.13 O ATOM 591 CB ILE A 636 -0.373 5.775 4.107 1.00 14.52 C ATOM 592 CG1 ILE A 636 0.229 7.016 3.445 1.00 23.34 C ATOM 593 CG2 ILE A 636 -1.810 6.040 4.532 1.00 51.01 C ATOM 594 CD1 ILE A 636 -0.671 7.644 2.405 1.00 63.01 C ATOM 0 H ILE A 636 2.114 5.631 4.046 1.00 63.23 H new ATOM 0 HA ILE A 636 0.338 6.075 6.123 1.00 71.25 H new ATOM 0 HB ILE A 636 -0.372 4.963 3.380 1.00 14.52 H new ATOM 0 HG12 ILE A 636 0.453 7.755 4.214 1.00 23.34 H new ATOM 0 HG13 ILE A 636 1.176 6.745 2.978 1.00 23.34 H new ATOM 0 HG21 ILE A 636 -2.397 6.340 3.664 1.00 51.01 H new ATOM 0 HG22 ILE A 636 -2.235 5.133 4.962 1.00 51.01 H new ATOM 0 HG23 ILE A 636 -1.828 6.837 5.275 1.00 51.01 H new ATOM 0 HD11 ILE A 636 -0.179 8.518 1.978 1.00 63.01 H new ATOM 0 HD12 ILE A 636 -0.875 6.921 1.615 1.00 63.01 H new ATOM 0 HD13 ILE A 636 -1.609 7.947 2.870 1.00 63.01 H new ATOM 606 N ILE A 637 0.542 2.929 5.184 1.00 14.50 N ATOM 607 CA ILE A 637 0.181 1.565 5.549 1.00 15.23 C ATOM 608 C ILE A 637 0.638 1.236 6.966 1.00 70.11 C ATOM 609 O ILE A 637 -0.181 1.017 7.858 1.00 72.13 O ATOM 610 CB ILE A 637 0.790 0.541 4.573 1.00 12.23 C ATOM 611 CG1 ILE A 637 0.051 0.578 3.234 1.00 44.24 C ATOM 612 CG2 ILE A 637 0.741 -0.856 5.173 1.00 40.24 C ATOM 613 CD1 ILE A 637 0.646 1.553 2.242 1.00 4.41 C ATOM 0 H ILE A 637 1.228 2.997 4.432 1.00 14.50 H new ATOM 0 HA ILE A 637 -0.906 1.501 5.497 1.00 15.23 H new ATOM 0 HB ILE A 637 1.833 0.804 4.398 1.00 12.23 H new ATOM 0 HG12 ILE A 637 0.057 -0.421 2.797 1.00 44.24 H new ATOM 0 HG13 ILE A 637 -0.991 0.843 3.411 1.00 44.24 H new ATOM 0 HG21 ILE A 637 1.175 -1.569 4.472 1.00 40.24 H new ATOM 0 HG22 ILE A 637 1.308 -0.872 6.104 1.00 40.24 H new ATOM 0 HG23 ILE A 637 -0.295 -1.130 5.374 1.00 40.24 H new ATOM 0 HD11 ILE A 637 0.072 1.526 1.316 1.00 4.41 H new ATOM 0 HD12 ILE A 637 0.616 2.560 2.659 1.00 4.41 H new ATOM 0 HD13 ILE A 637 1.680 1.277 2.036 1.00 4.41 H new ATOM 625 N GLN A 638 1.952 1.205 7.165 1.00 32.44 N ATOM 626 CA GLN A 638 2.518 0.902 8.474 1.00 2.14 C ATOM 627 C GLN A 638 1.943 1.826 9.543 1.00 14.21 C ATOM 628 O GLN A 638 1.920 1.485 10.725 1.00 5.53 O ATOM 629 CB GLN A 638 4.042 1.034 8.437 1.00 32.14 C ATOM 630 CG GLN A 638 4.527 2.277 7.709 1.00 61.02 C ATOM 631 CD GLN A 638 5.983 2.591 7.996 1.00 73.03 C ATOM 632 OE1 GLN A 638 6.361 2.844 9.140 1.00 33.31 O ATOM 633 NE2 GLN A 638 6.808 2.576 6.956 1.00 63.32 N ATOM 0 H GLN A 638 2.644 1.386 6.437 1.00 32.44 H new ATOM 0 HA GLN A 638 2.255 -0.125 8.727 1.00 2.14 H new ATOM 0 HB2 GLN A 638 4.422 1.050 9.459 1.00 32.14 H new ATOM 0 HB3 GLN A 638 4.463 0.152 7.954 1.00 32.14 H new ATOM 0 HG2 GLN A 638 4.393 2.140 6.636 1.00 61.02 H new ATOM 0 HG3 GLN A 638 3.911 3.128 8.001 1.00 61.02 H new ATOM 0 HE21 GLN A 638 6.451 2.361 6.025 1.00 63.32 H new ATOM 0 HE22 GLN A 638 7.799 2.779 7.088 1.00 63.32 H new ATOM 642 N SER A 639 1.476 2.996 9.118 1.00 41.20 N ATOM 643 CA SER A 639 0.904 3.971 10.038 1.00 20.43 C ATOM 644 C SER A 639 -0.451 3.498 10.556 1.00 21.02 C ATOM 645 O SER A 639 -0.810 3.750 11.707 1.00 70.41 O ATOM 646 CB SER A 639 0.754 5.328 9.350 1.00 40.34 C ATOM 647 OG SER A 639 -0.313 6.071 9.913 1.00 51.21 O ATOM 0 H SER A 639 1.483 3.291 8.142 1.00 41.20 H new ATOM 0 HA SER A 639 1.582 4.075 10.885 1.00 20.43 H new ATOM 0 HB2 SER A 639 1.682 5.891 9.444 1.00 40.34 H new ATOM 0 HB3 SER A 639 0.576 5.181 8.285 1.00 40.34 H new ATOM 0 HG SER A 639 -0.387 6.935 9.456 1.00 51.21 H new ATOM 653 N ARG A 640 -1.199 2.813 9.699 1.00 62.15 N ATOM 654 CA ARG A 640 -2.515 2.306 10.067 1.00 74.32 C ATOM 655 C ARG A 640 -2.532 0.780 10.060 1.00 53.03 C ATOM 656 O ARG A 640 -3.595 0.162 10.026 1.00 33.45 O ATOM 657 CB ARG A 640 -3.580 2.842 9.108 1.00 0.43 C ATOM 658 CG ARG A 640 -3.795 4.344 9.216 1.00 61.11 C ATOM 659 CD ARG A 640 -3.921 4.988 7.844 1.00 23.22 C ATOM 660 NE ARG A 640 -3.733 6.435 7.900 1.00 11.21 N ATOM 661 CZ ARG A 640 -4.638 7.276 8.390 1.00 61.33 C ATOM 662 NH1 ARG A 640 -5.787 6.815 8.864 1.00 10.11 N ATOM 663 NH2 ARG A 640 -4.393 8.580 8.406 1.00 63.11 N ATOM 0 H ARG A 640 -0.916 2.596 8.743 1.00 62.15 H new ATOM 0 HA ARG A 640 -2.739 2.651 11.077 1.00 74.32 H new ATOM 0 HB2 ARG A 640 -3.293 2.597 8.085 1.00 0.43 H new ATOM 0 HB3 ARG A 640 -4.524 2.333 9.305 1.00 0.43 H new ATOM 0 HG2 ARG A 640 -4.696 4.543 9.797 1.00 61.11 H new ATOM 0 HG3 ARG A 640 -2.962 4.794 9.756 1.00 61.11 H new ATOM 0 HD2 ARG A 640 -3.184 4.552 7.170 1.00 23.22 H new ATOM 0 HD3 ARG A 640 -4.904 4.766 7.428 1.00 23.22 H new ATOM 0 HE ARG A 640 -2.859 6.822 7.543 1.00 11.21 H new ATOM 0 HH11 ARG A 640 -5.978 5.813 8.853 1.00 10.11 H new ATOM 0 HH12 ARG A 640 -6.480 7.462 9.240 1.00 10.11 H new ATOM 0 HH21 ARG A 640 -3.510 8.937 8.042 1.00 63.11 H new ATOM 0 HH22 ARG A 640 -5.088 9.225 8.782 1.00 63.11 H new ATOM 677 N GLU A 641 -1.346 0.181 10.091 1.00 62.41 N ATOM 678 CA GLU A 641 -1.225 -1.273 10.085 1.00 4.14 C ATOM 679 C GLU A 641 -0.735 -1.783 11.439 1.00 41.14 C ATOM 680 O GLU A 641 0.443 -1.680 11.779 1.00 41.35 O ATOM 681 CB GLU A 641 -0.267 -1.723 8.981 1.00 62.34 C ATOM 682 CG GLU A 641 -0.299 -3.221 8.721 1.00 4.21 C ATOM 683 CD GLU A 641 0.860 -3.688 7.861 1.00 10.22 C ATOM 684 OE1 GLU A 641 1.546 -2.826 7.273 1.00 45.31 O ATOM 685 OE2 GLU A 641 1.079 -4.914 7.775 1.00 13.14 O ATOM 0 H GLU A 641 -0.456 0.679 10.120 1.00 62.41 H new ATOM 0 HA GLU A 641 -2.212 -1.694 9.892 1.00 4.14 H new ATOM 0 HB2 GLU A 641 -0.516 -1.197 8.059 1.00 62.34 H new ATOM 0 HB3 GLU A 641 0.748 -1.431 9.251 1.00 62.34 H new ATOM 0 HG2 GLU A 641 -0.278 -3.752 9.673 1.00 4.21 H new ATOM 0 HG3 GLU A 641 -1.238 -3.481 8.232 1.00 4.21 H new ATOM 692 N PRO A 642 -1.661 -2.346 12.229 1.00 42.42 N ATOM 693 CA PRO A 642 -1.347 -2.883 13.556 1.00 14.32 C ATOM 694 C PRO A 642 -0.498 -4.147 13.484 1.00 51.21 C ATOM 695 O PRO A 642 0.326 -4.403 14.362 1.00 32.23 O ATOM 696 CB PRO A 642 -2.725 -3.196 14.145 1.00 33.34 C ATOM 697 CG PRO A 642 -3.603 -3.417 12.962 1.00 43.44 C ATOM 698 CD PRO A 642 -3.085 -2.502 11.886 1.00 32.45 C ATOM 0 HA PRO A 642 -0.762 -2.183 14.152 1.00 14.32 H new ATOM 0 HB2 PRO A 642 -2.691 -4.079 14.783 1.00 33.34 H new ATOM 0 HB3 PRO A 642 -3.089 -2.373 14.759 1.00 33.34 H new ATOM 0 HG2 PRO A 642 -3.569 -4.458 12.639 1.00 43.44 H new ATOM 0 HG3 PRO A 642 -4.642 -3.191 13.200 1.00 43.44 H new ATOM 0 HD2 PRO A 642 -3.215 -2.934 10.894 1.00 32.45 H new ATOM 0 HD3 PRO A 642 -3.606 -1.545 11.887 1.00 32.45 H new ATOM 706 N SER A 643 -0.705 -4.934 12.434 1.00 62.33 N ATOM 707 CA SER A 643 0.040 -6.175 12.249 1.00 4.32 C ATOM 708 C SER A 643 1.514 -5.888 11.976 1.00 11.44 C ATOM 709 O SER A 643 2.390 -6.664 12.357 1.00 50.03 O ATOM 710 CB SER A 643 -0.556 -6.986 11.097 1.00 44.44 C ATOM 711 OG SER A 643 -0.562 -8.370 11.398 1.00 3.32 O ATOM 0 H SER A 643 -1.382 -4.735 11.698 1.00 62.33 H new ATOM 0 HA SER A 643 -0.035 -6.756 13.169 1.00 4.32 H new ATOM 0 HB2 SER A 643 -1.574 -6.649 10.899 1.00 44.44 H new ATOM 0 HB3 SER A 643 0.020 -6.811 10.188 1.00 44.44 H new ATOM 0 HG SER A 643 -0.949 -8.866 10.647 1.00 3.32 H new ATOM 717 N LEU A 644 1.778 -4.767 11.314 1.00 70.34 N ATOM 718 CA LEU A 644 3.146 -4.376 10.988 1.00 0.42 C ATOM 719 C LEU A 644 4.019 -4.359 12.238 1.00 3.14 C ATOM 720 O LEU A 644 3.966 -3.421 13.033 1.00 11.24 O ATOM 721 CB LEU A 644 3.158 -2.997 10.325 1.00 40.33 C ATOM 722 CG LEU A 644 4.243 -2.769 9.270 1.00 33.14 C ATOM 723 CD1 LEU A 644 5.624 -2.822 9.905 1.00 13.12 C ATOM 724 CD2 LEU A 644 4.126 -3.798 8.155 1.00 43.32 C ATOM 0 H LEU A 644 1.064 -4.113 10.993 1.00 70.34 H new ATOM 0 HA LEU A 644 3.553 -5.111 10.293 1.00 0.42 H new ATOM 0 HB2 LEU A 644 2.186 -2.831 9.860 1.00 40.33 H new ATOM 0 HB3 LEU A 644 3.272 -2.243 11.103 1.00 40.33 H new ATOM 0 HG LEU A 644 4.102 -1.778 8.839 1.00 33.14 H new ATOM 0 HD11 LEU A 644 6.383 -2.658 9.140 1.00 13.12 H new ATOM 0 HD12 LEU A 644 5.704 -2.047 10.667 1.00 13.12 H new ATOM 0 HD13 LEU A 644 5.776 -3.799 10.363 1.00 13.12 H new ATOM 0 HD21 LEU A 644 4.905 -3.621 7.413 1.00 43.32 H new ATOM 0 HD22 LEU A 644 4.241 -4.799 8.570 1.00 43.32 H new ATOM 0 HD23 LEU A 644 3.148 -3.712 7.681 1.00 43.32 H new ATOM 736 N LYS A 645 4.825 -5.402 12.405 1.00 43.43 N ATOM 737 CA LYS A 645 5.714 -5.507 13.556 1.00 61.34 C ATOM 738 C LYS A 645 7.173 -5.554 13.113 1.00 23.42 C ATOM 739 O LYS A 645 7.991 -6.248 13.716 1.00 61.32 O ATOM 740 CB LYS A 645 5.377 -6.755 14.375 1.00 53.13 C ATOM 741 CG LYS A 645 4.161 -6.585 15.269 1.00 22.15 C ATOM 742 CD LYS A 645 3.809 -7.880 15.983 1.00 0.11 C ATOM 743 CE LYS A 645 2.325 -7.953 16.304 1.00 33.31 C ATOM 744 NZ LYS A 645 2.046 -7.597 17.723 1.00 0.22 N ATOM 0 H LYS A 645 4.881 -6.188 11.757 1.00 43.43 H new ATOM 0 HA LYS A 645 5.570 -4.623 14.178 1.00 61.34 H new ATOM 0 HB2 LYS A 645 5.204 -7.590 13.696 1.00 53.13 H new ATOM 0 HB3 LYS A 645 6.237 -7.018 14.991 1.00 53.13 H new ATOM 0 HG2 LYS A 645 4.355 -5.804 16.004 1.00 22.15 H new ATOM 0 HG3 LYS A 645 3.311 -6.256 14.671 1.00 22.15 H new ATOM 0 HD2 LYS A 645 4.090 -8.729 15.359 1.00 0.11 H new ATOM 0 HD3 LYS A 645 4.386 -7.957 16.905 1.00 0.11 H new ATOM 0 HE2 LYS A 645 1.778 -7.278 15.646 1.00 33.31 H new ATOM 0 HE3 LYS A 645 1.959 -8.960 16.104 1.00 33.31 H new ATOM 0 HZ1 LYS A 645 1.023 -7.659 17.902 1.00 0.22 H new ATOM 0 HZ2 LYS A 645 2.548 -8.256 18.351 1.00 0.22 H new ATOM 0 HZ3 LYS A 645 2.372 -6.627 17.908 1.00 0.22 H new ATOM 758 N ASN A 646 7.492 -4.812 12.059 1.00 10.34 N ATOM 759 CA ASN A 646 8.853 -4.769 11.537 1.00 4.41 C ATOM 760 C ASN A 646 9.712 -3.795 12.338 1.00 44.24 C ATOM 761 O ASN A 646 9.604 -2.579 12.176 1.00 1.45 O ATOM 762 CB ASN A 646 8.843 -4.364 10.062 1.00 64.21 C ATOM 763 CG ASN A 646 8.580 -5.540 9.142 1.00 74.50 C ATOM 764 OD1 ASN A 646 9.330 -6.516 9.131 1.00 31.14 O ATOM 765 ND2 ASN A 646 7.507 -5.453 8.363 1.00 70.42 N ATOM 0 H ASN A 646 6.826 -4.232 11.549 1.00 10.34 H new ATOM 0 HA ASN A 646 9.283 -5.766 11.630 1.00 4.41 H new ATOM 0 HB2 ASN A 646 8.079 -3.603 9.902 1.00 64.21 H new ATOM 0 HB3 ASN A 646 9.801 -3.913 9.805 1.00 64.21 H new ATOM 0 HD21 ASN A 646 7.278 -6.214 7.724 1.00 70.42 H new ATOM 0 HD22 ASN A 646 6.912 -4.625 8.405 1.00 70.42 H new ATOM 772 N SER A 647 10.566 -4.338 13.200 1.00 40.41 N ATOM 773 CA SER A 647 11.441 -3.517 14.028 1.00 52.54 C ATOM 774 C SER A 647 12.319 -2.616 13.164 1.00 62.23 C ATOM 775 O SER A 647 12.733 -1.540 13.591 1.00 11.13 O ATOM 776 CB SER A 647 12.318 -4.403 14.915 1.00 10.43 C ATOM 777 OG SER A 647 11.531 -5.323 15.652 1.00 21.00 O ATOM 0 H SER A 647 10.670 -5.343 13.343 1.00 40.41 H new ATOM 0 HA SER A 647 10.815 -2.887 14.661 1.00 52.54 H new ATOM 0 HB2 SER A 647 13.035 -4.945 14.298 1.00 10.43 H new ATOM 0 HB3 SER A 647 12.894 -3.781 15.600 1.00 10.43 H new ATOM 0 HG SER A 647 12.114 -5.879 16.210 1.00 21.00 H new ATOM 783 N ASN A 648 12.598 -3.066 11.945 1.00 63.15 N ATOM 784 CA ASN A 648 13.428 -2.303 11.020 1.00 44.53 C ATOM 785 C ASN A 648 12.574 -1.647 9.939 1.00 42.40 C ATOM 786 O ASN A 648 11.742 -2.288 9.297 1.00 52.15 O ATOM 787 CB ASN A 648 14.478 -3.210 10.375 1.00 22.12 C ATOM 788 CG ASN A 648 13.939 -3.951 9.167 1.00 51.33 C ATOM 789 OD1 ASN A 648 13.242 -4.956 9.301 1.00 71.25 O ATOM 790 ND2 ASN A 648 14.260 -3.455 7.978 1.00 70.43 N ATOM 0 H ASN A 648 12.262 -3.955 11.575 1.00 63.15 H new ATOM 0 HA ASN A 648 13.933 -1.520 11.586 1.00 44.53 H new ATOM 0 HB2 ASN A 648 15.338 -2.610 10.076 1.00 22.12 H new ATOM 0 HB3 ASN A 648 14.833 -3.931 11.111 1.00 22.12 H new ATOM 0 HD21 ASN A 648 13.926 -3.910 7.128 1.00 70.43 H new ATOM 0 HD22 ASN A 648 14.841 -2.619 7.914 1.00 70.43 H new ATOM 797 N PRO A 649 12.785 -0.339 9.731 1.00 73.11 N ATOM 798 CA PRO A 649 12.046 0.432 8.727 1.00 12.32 C ATOM 799 C PRO A 649 12.426 0.045 7.302 1.00 1.15 C ATOM 800 O PRO A 649 11.753 0.427 6.345 1.00 72.21 O ATOM 801 CB PRO A 649 12.458 1.878 9.017 1.00 51.04 C ATOM 802 CG PRO A 649 13.791 1.768 9.672 1.00 65.14 C ATOM 803 CD PRO A 649 13.761 0.488 10.460 1.00 51.14 C ATOM 0 HA PRO A 649 10.972 0.259 8.790 1.00 12.32 H new ATOM 0 HB2 PRO A 649 12.515 2.465 8.100 1.00 51.04 H new ATOM 0 HB3 PRO A 649 11.737 2.372 9.668 1.00 51.04 H new ATOM 0 HG2 PRO A 649 14.590 1.751 8.931 1.00 65.14 H new ATOM 0 HG3 PRO A 649 13.978 2.622 10.323 1.00 65.14 H new ATOM 0 HD2 PRO A 649 14.742 0.015 10.495 1.00 51.14 H new ATOM 0 HD3 PRO A 649 13.452 0.658 11.491 1.00 51.14 H new ATOM 811 N ASP A 650 13.508 -0.713 7.170 1.00 71.52 N ATOM 812 CA ASP A 650 13.977 -1.154 5.861 1.00 20.40 C ATOM 813 C ASP A 650 13.221 -2.398 5.403 1.00 41.42 C ATOM 814 O ASP A 650 13.608 -3.047 4.432 1.00 21.55 O ATOM 815 CB ASP A 650 15.478 -1.442 5.904 1.00 23.23 C ATOM 816 CG ASP A 650 16.133 -1.310 4.544 1.00 63.42 C ATOM 817 OD1 ASP A 650 15.929 -2.206 3.698 1.00 35.43 O ATOM 818 OD2 ASP A 650 16.850 -0.312 4.323 1.00 3.14 O ATOM 0 H ASP A 650 14.077 -1.035 7.953 1.00 71.52 H new ATOM 0 HA ASP A 650 13.789 -0.353 5.146 1.00 20.40 H new ATOM 0 HB2 ASP A 650 15.957 -0.756 6.602 1.00 23.23 H new ATOM 0 HB3 ASP A 650 15.641 -2.450 6.286 1.00 23.23 H new ATOM 823 N GLU A 651 12.142 -2.721 6.109 1.00 20.23 N ATOM 824 CA GLU A 651 11.334 -3.888 5.775 1.00 72.41 C ATOM 825 C GLU A 651 9.875 -3.671 6.169 1.00 45.34 C ATOM 826 O GLU A 651 9.580 -3.279 7.298 1.00 33.33 O ATOM 827 CB GLU A 651 11.883 -5.133 6.474 1.00 73.40 C ATOM 828 CG GLU A 651 11.150 -6.412 6.103 1.00 44.53 C ATOM 829 CD GLU A 651 11.900 -7.659 6.530 1.00 25.00 C ATOM 830 OE1 GLU A 651 12.843 -8.057 5.814 1.00 5.00 O ATOM 831 OE2 GLU A 651 11.544 -8.237 7.577 1.00 4.14 O ATOM 0 H GLU A 651 11.808 -2.192 6.914 1.00 20.23 H new ATOM 0 HA GLU A 651 11.383 -4.035 4.696 1.00 72.41 H new ATOM 0 HB2 GLU A 651 12.938 -5.244 6.225 1.00 73.40 H new ATOM 0 HB3 GLU A 651 11.823 -4.990 7.553 1.00 73.40 H new ATOM 0 HG2 GLU A 651 10.164 -6.409 6.567 1.00 44.53 H new ATOM 0 HG3 GLU A 651 10.995 -6.437 5.024 1.00 44.53 H new ATOM 838 N ILE A 652 8.971 -3.926 5.230 1.00 33.54 N ATOM 839 CA ILE A 652 7.545 -3.758 5.479 1.00 74.51 C ATOM 840 C ILE A 652 6.735 -4.852 4.791 1.00 53.21 C ATOM 841 O ILE A 652 6.957 -5.157 3.620 1.00 32.20 O ATOM 842 CB ILE A 652 7.045 -2.384 4.996 1.00 4.04 C ATOM 843 CG1 ILE A 652 6.434 -1.601 6.159 1.00 33.32 C ATOM 844 CG2 ILE A 652 6.033 -2.553 3.873 1.00 35.21 C ATOM 845 CD1 ILE A 652 5.687 -0.359 5.725 1.00 33.43 C ATOM 0 H ILE A 652 9.200 -4.250 4.290 1.00 33.54 H new ATOM 0 HA ILE A 652 7.403 -3.827 6.558 1.00 74.51 H new ATOM 0 HB ILE A 652 7.894 -1.820 4.611 1.00 4.04 H new ATOM 0 HG12 ILE A 652 5.753 -2.252 6.707 1.00 33.32 H new ATOM 0 HG13 ILE A 652 7.227 -1.315 6.850 1.00 33.32 H new ATOM 0 HG21 ILE A 652 5.689 -1.573 3.543 1.00 35.21 H new ATOM 0 HG22 ILE A 652 6.500 -3.074 3.038 1.00 35.21 H new ATOM 0 HG23 ILE A 652 5.183 -3.133 4.233 1.00 35.21 H new ATOM 0 HD11 ILE A 652 5.281 0.146 6.601 1.00 33.43 H new ATOM 0 HD12 ILE A 652 6.369 0.312 5.203 1.00 33.43 H new ATOM 0 HD13 ILE A 652 4.872 -0.639 5.057 1.00 33.43 H new ATOM 857 N GLU A 653 5.793 -5.436 5.526 1.00 43.22 N ATOM 858 CA GLU A 653 4.949 -6.494 4.985 1.00 20.51 C ATOM 859 C GLU A 653 3.484 -6.069 4.972 1.00 34.20 C ATOM 860 O GLU A 653 2.796 -6.145 5.990 1.00 21.22 O ATOM 861 CB GLU A 653 5.112 -7.777 5.804 1.00 44.50 C ATOM 862 CG GLU A 653 5.023 -9.046 4.974 1.00 71.21 C ATOM 863 CD GLU A 653 4.631 -10.257 5.798 1.00 5.53 C ATOM 864 OE1 GLU A 653 5.305 -10.526 6.814 1.00 63.11 O ATOM 865 OE2 GLU A 653 3.650 -10.934 5.426 1.00 15.14 O ATOM 0 H GLU A 653 5.596 -5.194 6.497 1.00 43.22 H new ATOM 0 HA GLU A 653 5.263 -6.684 3.959 1.00 20.51 H new ATOM 0 HB2 GLU A 653 6.076 -7.753 6.313 1.00 44.50 H new ATOM 0 HB3 GLU A 653 4.344 -7.804 6.577 1.00 44.50 H new ATOM 0 HG2 GLU A 653 4.294 -8.903 4.176 1.00 71.21 H new ATOM 0 HG3 GLU A 653 5.985 -9.232 4.497 1.00 71.21 H new ATOM 872 N ILE A 654 3.014 -5.622 3.812 1.00 12.12 N ATOM 873 CA ILE A 654 1.631 -5.185 3.667 1.00 45.32 C ATOM 874 C ILE A 654 0.735 -6.335 3.220 1.00 3.11 C ATOM 875 O ILE A 654 0.799 -6.774 2.072 1.00 61.03 O ATOM 876 CB ILE A 654 1.509 -4.030 2.655 1.00 3.11 C ATOM 877 CG1 ILE A 654 2.530 -2.935 2.971 1.00 24.32 C ATOM 878 CG2 ILE A 654 0.097 -3.464 2.665 1.00 1.20 C ATOM 879 CD1 ILE A 654 2.572 -1.831 1.939 1.00 63.53 C ATOM 0 H ILE A 654 3.570 -5.553 2.960 1.00 12.12 H new ATOM 0 HA ILE A 654 1.306 -4.835 4.647 1.00 45.32 H new ATOM 0 HB ILE A 654 1.717 -4.417 1.658 1.00 3.11 H new ATOM 0 HG12 ILE A 654 2.297 -2.503 3.944 1.00 24.32 H new ATOM 0 HG13 ILE A 654 3.520 -3.385 3.050 1.00 24.32 H new ATOM 0 HG21 ILE A 654 0.027 -2.649 1.945 1.00 1.20 H new ATOM 0 HG22 ILE A 654 -0.611 -4.248 2.396 1.00 1.20 H new ATOM 0 HG23 ILE A 654 -0.138 -3.089 3.661 1.00 1.20 H new ATOM 0 HD11 ILE A 654 3.318 -1.091 2.228 1.00 63.53 H new ATOM 0 HD12 ILE A 654 2.835 -2.250 0.968 1.00 63.53 H new ATOM 0 HD13 ILE A 654 1.594 -1.355 1.876 1.00 63.53 H new ATOM 891 N ASP A 655 -0.100 -6.817 4.134 1.00 40.43 N ATOM 892 CA ASP A 655 -1.012 -7.914 3.833 1.00 42.33 C ATOM 893 C ASP A 655 -2.444 -7.409 3.697 1.00 52.51 C ATOM 894 O ASP A 655 -3.154 -7.250 4.690 1.00 71.40 O ATOM 895 CB ASP A 655 -0.935 -8.983 4.925 1.00 53.33 C ATOM 896 CG ASP A 655 0.427 -9.645 4.993 1.00 73.25 C ATOM 897 OD1 ASP A 655 1.368 -9.135 4.350 1.00 60.15 O ATOM 898 OD2 ASP A 655 0.551 -10.674 5.689 1.00 15.43 O ATOM 0 H ASP A 655 -0.164 -6.465 5.089 1.00 40.43 H new ATOM 0 HA ASP A 655 -0.711 -8.354 2.883 1.00 42.33 H new ATOM 0 HB2 ASP A 655 -1.164 -8.530 5.890 1.00 53.33 H new ATOM 0 HB3 ASP A 655 -1.696 -9.742 4.741 1.00 53.33 H new ATOM 903 N PHE A 656 -2.863 -7.156 2.462 1.00 54.02 N ATOM 904 CA PHE A 656 -4.211 -6.666 2.196 1.00 64.33 C ATOM 905 C PHE A 656 -5.258 -7.630 2.745 1.00 64.33 C ATOM 906 O PHE A 656 -6.364 -7.225 3.099 1.00 4.04 O ATOM 907 CB PHE A 656 -4.419 -6.472 0.692 1.00 24.10 C ATOM 908 CG PHE A 656 -3.894 -5.161 0.179 1.00 3.34 C ATOM 909 CD1 PHE A 656 -2.946 -4.450 0.897 1.00 20.13 C ATOM 910 CD2 PHE A 656 -4.348 -4.640 -1.021 1.00 74.11 C ATOM 911 CE1 PHE A 656 -2.462 -3.244 0.428 1.00 63.04 C ATOM 912 CE2 PHE A 656 -3.868 -3.433 -1.496 1.00 74.31 C ATOM 913 CZ PHE A 656 -2.923 -2.735 -0.771 1.00 75.51 C ATOM 0 H PHE A 656 -2.288 -7.282 1.629 1.00 54.02 H new ATOM 0 HA PHE A 656 -4.327 -5.706 2.699 1.00 64.33 H new ATOM 0 HB2 PHE A 656 -3.928 -7.285 0.157 1.00 24.10 H new ATOM 0 HB3 PHE A 656 -5.484 -6.541 0.469 1.00 24.10 H new ATOM 0 HD1 PHE A 656 -2.581 -4.843 1.834 1.00 20.13 H new ATOM 0 HD2 PHE A 656 -5.086 -5.183 -1.593 1.00 74.11 H new ATOM 0 HE1 PHE A 656 -1.724 -2.699 0.998 1.00 63.04 H new ATOM 0 HE2 PHE A 656 -4.232 -3.037 -2.433 1.00 74.31 H new ATOM 0 HZ PHE A 656 -2.545 -1.793 -1.140 1.00 75.51 H new ATOM 923 N GLU A 657 -4.900 -8.909 2.810 1.00 30.11 N ATOM 924 CA GLU A 657 -5.809 -9.932 3.314 1.00 10.22 C ATOM 925 C GLU A 657 -6.325 -9.564 4.703 1.00 11.22 C ATOM 926 O GLU A 657 -7.467 -9.862 5.053 1.00 32.40 O ATOM 927 CB GLU A 657 -5.108 -11.291 3.363 1.00 50.24 C ATOM 928 CG GLU A 657 -6.036 -12.442 3.711 1.00 5.03 C ATOM 929 CD GLU A 657 -5.283 -13.708 4.076 1.00 43.43 C ATOM 930 OE1 GLU A 657 -4.044 -13.642 4.219 1.00 51.01 O ATOM 931 OE2 GLU A 657 -5.934 -14.765 4.216 1.00 2.43 O ATOM 0 H GLU A 657 -3.988 -9.261 2.520 1.00 30.11 H new ATOM 0 HA GLU A 657 -6.658 -9.994 2.633 1.00 10.22 H new ATOM 0 HB2 GLU A 657 -4.646 -11.487 2.395 1.00 50.24 H new ATOM 0 HB3 GLU A 657 -4.304 -11.249 4.097 1.00 50.24 H new ATOM 0 HG2 GLU A 657 -6.674 -12.150 4.545 1.00 5.03 H new ATOM 0 HG3 GLU A 657 -6.691 -12.645 2.864 1.00 5.03 H new ATOM 938 N THR A 658 -5.474 -8.915 5.491 1.00 12.34 N ATOM 939 CA THR A 658 -5.841 -8.509 6.842 1.00 14.51 C ATOM 940 C THR A 658 -5.930 -6.991 6.953 1.00 1.32 C ATOM 941 O THR A 658 -6.580 -6.461 7.855 1.00 35.32 O ATOM 942 CB THR A 658 -4.831 -9.030 7.880 1.00 12.40 C ATOM 943 OG1 THR A 658 -5.180 -8.556 9.185 1.00 13.04 O ATOM 944 CG2 THR A 658 -3.419 -8.583 7.534 1.00 0.20 C ATOM 0 H THR A 658 -4.525 -8.659 5.217 1.00 12.34 H new ATOM 0 HA THR A 658 -6.819 -8.945 7.049 1.00 14.51 H new ATOM 0 HB THR A 658 -4.863 -10.119 7.869 1.00 12.40 H new ATOM 0 HG1 THR A 658 -4.533 -8.893 9.839 1.00 13.04 H new ATOM 0 HG21 THR A 658 -2.723 -8.963 8.282 1.00 0.20 H new ATOM 0 HG22 THR A 658 -3.145 -8.971 6.553 1.00 0.20 H new ATOM 0 HG23 THR A 658 -3.376 -7.494 7.519 1.00 0.20 H new ATOM 952 N LEU A 659 -5.273 -6.295 6.033 1.00 43.53 N ATOM 953 CA LEU A 659 -5.277 -4.836 6.027 1.00 34.12 C ATOM 954 C LEU A 659 -6.704 -4.296 5.999 1.00 75.50 C ATOM 955 O LEU A 659 -7.623 -4.964 5.524 1.00 44.35 O ATOM 956 CB LEU A 659 -4.497 -4.308 4.822 1.00 5.22 C ATOM 957 CG LEU A 659 -3.881 -2.917 4.979 1.00 72.44 C ATOM 958 CD1 LEU A 659 -2.660 -2.972 5.885 1.00 55.13 C ATOM 959 CD2 LEU A 659 -3.513 -2.341 3.620 1.00 64.32 C ATOM 0 H LEU A 659 -4.730 -6.718 5.280 1.00 43.53 H new ATOM 0 HA LEU A 659 -4.795 -4.493 6.942 1.00 34.12 H new ATOM 0 HB2 LEU A 659 -3.698 -5.014 4.594 1.00 5.22 H new ATOM 0 HB3 LEU A 659 -5.165 -4.293 3.960 1.00 5.22 H new ATOM 0 HG LEU A 659 -4.621 -2.263 5.441 1.00 72.44 H new ATOM 0 HD11 LEU A 659 -2.236 -1.973 5.985 1.00 55.13 H new ATOM 0 HD12 LEU A 659 -2.953 -3.342 6.868 1.00 55.13 H new ATOM 0 HD13 LEU A 659 -1.916 -3.641 5.453 1.00 55.13 H new ATOM 0 HD21 LEU A 659 -3.076 -1.351 3.751 1.00 64.32 H new ATOM 0 HD22 LEU A 659 -2.791 -2.995 3.131 1.00 64.32 H new ATOM 0 HD23 LEU A 659 -4.408 -2.264 3.003 1.00 64.32 H new ATOM 971 N LYS A 660 -6.882 -3.083 6.510 1.00 54.30 N ATOM 972 CA LYS A 660 -8.196 -2.451 6.541 1.00 52.02 C ATOM 973 C LYS A 660 -8.458 -1.676 5.253 1.00 3.10 C ATOM 974 O LYS A 660 -7.536 -1.302 4.527 1.00 3.14 O ATOM 975 CB LYS A 660 -8.304 -1.511 7.744 1.00 74.24 C ATOM 976 CG LYS A 660 -8.648 -2.222 9.041 1.00 24.44 C ATOM 977 CD LYS A 660 -10.138 -2.498 9.149 1.00 55.34 C ATOM 978 CE LYS A 660 -10.475 -3.255 10.425 1.00 50.33 C ATOM 979 NZ LYS A 660 -10.039 -2.514 11.641 1.00 43.52 N ATOM 0 H LYS A 660 -6.133 -2.517 6.909 1.00 54.30 H new ATOM 0 HA LYS A 660 -8.947 -3.236 6.631 1.00 52.02 H new ATOM 0 HB2 LYS A 660 -7.358 -0.983 7.868 1.00 74.24 H new ATOM 0 HB3 LYS A 660 -9.065 -0.758 7.539 1.00 74.24 H new ATOM 0 HG2 LYS A 660 -8.098 -3.161 9.099 1.00 24.44 H new ATOM 0 HG3 LYS A 660 -8.328 -1.613 9.886 1.00 24.44 H new ATOM 0 HD2 LYS A 660 -10.686 -1.556 9.128 1.00 55.34 H new ATOM 0 HD3 LYS A 660 -10.465 -3.076 8.285 1.00 55.34 H new ATOM 0 HE2 LYS A 660 -11.550 -3.428 10.471 1.00 50.33 H new ATOM 0 HE3 LYS A 660 -9.995 -4.233 10.404 1.00 50.33 H new ATOM 0 HZ1 LYS A 660 -10.473 -2.943 12.483 1.00 43.52 H new ATOM 0 HZ2 LYS A 660 -9.003 -2.561 11.723 1.00 43.52 H new ATOM 0 HZ3 LYS A 660 -10.336 -1.520 11.567 1.00 43.52 H new ATOM 993 N PRO A 661 -9.743 -1.427 4.961 1.00 70.55 N ATOM 994 CA PRO A 661 -10.155 -0.694 3.761 1.00 1.14 C ATOM 995 C PRO A 661 -9.784 0.783 3.829 1.00 5.32 C ATOM 996 O PRO A 661 -9.390 1.381 2.828 1.00 4.52 O ATOM 997 CB PRO A 661 -11.676 -0.862 3.746 1.00 15.13 C ATOM 998 CG PRO A 661 -12.045 -1.094 5.171 1.00 0.20 C ATOM 999 CD PRO A 661 -10.893 -1.844 5.781 1.00 63.34 C ATOM 0 HA PRO A 661 -9.662 -1.071 2.865 1.00 1.14 H new ATOM 0 HB2 PRO A 661 -12.169 0.026 3.349 1.00 15.13 H new ATOM 0 HB3 PRO A 661 -11.976 -1.701 3.118 1.00 15.13 H new ATOM 0 HG2 PRO A 661 -12.214 -0.150 5.689 1.00 0.20 H new ATOM 0 HG3 PRO A 661 -12.968 -1.669 5.246 1.00 0.20 H new ATOM 0 HD2 PRO A 661 -10.754 -1.583 6.830 1.00 63.34 H new ATOM 0 HD3 PRO A 661 -11.047 -2.922 5.738 1.00 63.34 H new ATOM 1007 N SER A 662 -9.911 1.367 5.017 1.00 4.23 N ATOM 1008 CA SER A 662 -9.591 2.777 5.214 1.00 31.52 C ATOM 1009 C SER A 662 -8.191 3.093 4.701 1.00 23.12 C ATOM 1010 O SER A 662 -7.998 4.021 3.915 1.00 33.10 O ATOM 1011 CB SER A 662 -9.699 3.142 6.696 1.00 53.52 C ATOM 1012 OG SER A 662 -10.830 3.961 6.939 1.00 62.23 O ATOM 0 H SER A 662 -10.233 0.886 5.857 1.00 4.23 H new ATOM 0 HA SER A 662 -10.308 3.371 4.647 1.00 31.52 H new ATOM 0 HB2 SER A 662 -9.769 2.233 7.293 1.00 53.52 H new ATOM 0 HB3 SER A 662 -8.795 3.662 7.012 1.00 53.52 H new ATOM 0 HG SER A 662 -10.877 4.179 7.893 1.00 62.23 H new ATOM 1018 N THR A 663 -7.211 2.314 5.152 1.00 52.02 N ATOM 1019 CA THR A 663 -5.828 2.510 4.741 1.00 3.42 C ATOM 1020 C THR A 663 -5.662 2.286 3.242 1.00 45.32 C ATOM 1021 O THR A 663 -4.994 3.062 2.558 1.00 43.10 O ATOM 1022 CB THR A 663 -4.876 1.565 5.498 1.00 52.02 C ATOM 1023 OG1 THR A 663 -5.107 1.665 6.907 1.00 21.55 O ATOM 1024 CG2 THR A 663 -3.424 1.898 5.192 1.00 53.54 C ATOM 0 H THR A 663 -7.352 1.541 5.803 1.00 52.02 H new ATOM 0 HA THR A 663 -5.571 3.541 4.982 1.00 3.42 H new ATOM 0 HB THR A 663 -5.074 0.545 5.168 1.00 52.02 H new ATOM 0 HG1 THR A 663 -4.619 0.953 7.370 1.00 21.55 H new ATOM 0 HG21 THR A 663 -2.772 1.217 5.738 1.00 53.54 H new ATOM 0 HG22 THR A 663 -3.244 1.793 4.122 1.00 53.54 H new ATOM 0 HG23 THR A 663 -3.214 2.924 5.496 1.00 53.54 H new ATOM 1032 N LEU A 664 -6.275 1.221 2.737 1.00 2.24 N ATOM 1033 CA LEU A 664 -6.196 0.895 1.317 1.00 33.22 C ATOM 1034 C LEU A 664 -6.568 2.100 0.461 1.00 53.15 C ATOM 1035 O LEU A 664 -5.764 2.576 -0.342 1.00 3.15 O ATOM 1036 CB LEU A 664 -7.119 -0.282 0.993 1.00 41.13 C ATOM 1037 CG LEU A 664 -6.472 -1.463 0.269 1.00 13.40 C ATOM 1038 CD1 LEU A 664 -6.710 -2.754 1.035 1.00 24.51 C ATOM 1039 CD2 LEU A 664 -7.008 -1.577 -1.151 1.00 5.44 C ATOM 0 H LEU A 664 -6.832 0.569 3.289 1.00 2.24 H new ATOM 0 HA LEU A 664 -5.167 0.615 1.089 1.00 33.22 H new ATOM 0 HB2 LEU A 664 -7.551 -0.646 1.925 1.00 41.13 H new ATOM 0 HB3 LEU A 664 -7.943 0.086 0.382 1.00 41.13 H new ATOM 0 HG LEU A 664 -5.397 -1.288 0.218 1.00 13.40 H new ATOM 0 HD11 LEU A 664 -6.242 -3.583 0.504 1.00 24.51 H new ATOM 0 HD12 LEU A 664 -6.277 -2.671 2.032 1.00 24.51 H new ATOM 0 HD13 LEU A 664 -7.782 -2.935 1.119 1.00 24.51 H new ATOM 0 HD21 LEU A 664 -6.536 -2.423 -1.651 1.00 5.44 H new ATOM 0 HD22 LEU A 664 -8.087 -1.728 -1.122 1.00 5.44 H new ATOM 0 HD23 LEU A 664 -6.785 -0.661 -1.699 1.00 5.44 H new ATOM 1051 N ARG A 665 -7.791 2.589 0.635 1.00 33.24 N ATOM 1052 CA ARG A 665 -8.269 3.740 -0.121 1.00 52.04 C ATOM 1053 C ARG A 665 -7.396 4.963 0.138 1.00 23.14 C ATOM 1054 O ARG A 665 -7.177 5.781 -0.754 1.00 3.23 O ATOM 1055 CB ARG A 665 -9.722 4.051 0.245 1.00 31.41 C ATOM 1056 CG ARG A 665 -10.336 5.163 -0.589 1.00 41.12 C ATOM 1057 CD ARG A 665 -11.528 4.664 -1.391 1.00 3.42 C ATOM 1058 NE ARG A 665 -12.575 5.676 -1.501 1.00 13.24 N ATOM 1059 CZ ARG A 665 -13.690 5.506 -2.205 1.00 3.43 C ATOM 1060 NH1 ARG A 665 -13.900 4.372 -2.857 1.00 44.41 N ATOM 1061 NH2 ARG A 665 -14.596 6.474 -2.257 1.00 11.15 N ATOM 0 H ARG A 665 -8.469 2.206 1.293 1.00 33.24 H new ATOM 0 HA ARG A 665 -8.213 3.493 -1.181 1.00 52.04 H new ATOM 0 HB2 ARG A 665 -10.319 3.147 0.126 1.00 31.41 H new ATOM 0 HB3 ARG A 665 -9.771 4.329 1.298 1.00 31.41 H new ATOM 0 HG2 ARG A 665 -10.650 5.978 0.063 1.00 41.12 H new ATOM 0 HG3 ARG A 665 -9.585 5.569 -1.266 1.00 41.12 H new ATOM 0 HD2 ARG A 665 -11.198 4.374 -2.388 1.00 3.42 H new ATOM 0 HD3 ARG A 665 -11.935 3.771 -0.917 1.00 3.42 H new ATOM 0 HE ARG A 665 -12.444 6.561 -1.011 1.00 13.24 H new ATOM 0 HH11 ARG A 665 -13.205 3.626 -2.820 1.00 44.41 H new ATOM 0 HH12 ARG A 665 -14.756 4.245 -3.396 1.00 44.41 H new ATOM 0 HH21 ARG A 665 -14.437 7.349 -1.757 1.00 11.15 H new ATOM 0 HH22 ARG A 665 -15.451 6.343 -2.797 1.00 11.15 H new ATOM 1075 N GLU A 666 -6.900 5.080 1.367 1.00 41.42 N ATOM 1076 CA GLU A 666 -6.051 6.204 1.743 1.00 21.11 C ATOM 1077 C GLU A 666 -4.903 6.376 0.753 1.00 72.21 C ATOM 1078 O GLU A 666 -4.477 7.496 0.467 1.00 63.53 O ATOM 1079 CB GLU A 666 -5.495 6.001 3.154 1.00 0.34 C ATOM 1080 CG GLU A 666 -5.154 7.300 3.867 1.00 75.12 C ATOM 1081 CD GLU A 666 -6.375 7.977 4.461 1.00 44.04 C ATOM 1082 OE1 GLU A 666 -7.142 7.297 5.172 1.00 11.14 O ATOM 1083 OE2 GLU A 666 -6.561 9.187 4.213 1.00 74.24 O ATOM 0 H GLU A 666 -7.072 4.411 2.117 1.00 41.42 H new ATOM 0 HA GLU A 666 -6.660 7.108 1.725 1.00 21.11 H new ATOM 0 HB2 GLU A 666 -6.226 5.451 3.748 1.00 0.34 H new ATOM 0 HB3 GLU A 666 -4.600 5.382 3.097 1.00 0.34 H new ATOM 0 HG2 GLU A 666 -4.434 7.097 4.660 1.00 75.12 H new ATOM 0 HG3 GLU A 666 -4.672 7.980 3.165 1.00 75.12 H new ATOM 1090 N LEU A 667 -4.408 5.259 0.232 1.00 22.41 N ATOM 1091 CA LEU A 667 -3.308 5.283 -0.727 1.00 2.55 C ATOM 1092 C LEU A 667 -3.803 5.685 -2.112 1.00 51.13 C ATOM 1093 O LEU A 667 -3.185 6.506 -2.789 1.00 13.24 O ATOM 1094 CB LEU A 667 -2.631 3.913 -0.792 1.00 34.11 C ATOM 1095 CG LEU A 667 -2.661 3.088 0.495 1.00 43.33 C ATOM 1096 CD1 LEU A 667 -1.877 1.796 0.319 1.00 55.40 C ATOM 1097 CD2 LEU A 667 -2.105 3.896 1.659 1.00 74.44 C ATOM 0 H LEU A 667 -4.751 4.325 0.457 1.00 22.41 H new ATOM 0 HA LEU A 667 -2.582 6.024 -0.391 1.00 2.55 H new ATOM 0 HB2 LEU A 667 -3.106 3.333 -1.583 1.00 34.11 H new ATOM 0 HB3 LEU A 667 -1.591 4.058 -1.083 1.00 34.11 H new ATOM 0 HG LEU A 667 -3.697 2.833 0.717 1.00 43.33 H new ATOM 0 HD11 LEU A 667 -1.909 1.222 1.245 1.00 55.40 H new ATOM 0 HD12 LEU A 667 -2.318 1.210 -0.487 1.00 55.40 H new ATOM 0 HD13 LEU A 667 -0.841 2.030 0.073 1.00 55.40 H new ATOM 0 HD21 LEU A 667 -2.134 3.293 2.567 1.00 74.44 H new ATOM 0 HD22 LEU A 667 -1.075 4.181 1.445 1.00 74.44 H new ATOM 0 HD23 LEU A 667 -2.708 4.793 1.800 1.00 74.44 H new ATOM 1109 N GLU A 668 -4.924 5.101 -2.527 1.00 10.40 N ATOM 1110 CA GLU A 668 -5.502 5.400 -3.832 1.00 35.33 C ATOM 1111 C GLU A 668 -5.839 6.884 -3.951 1.00 0.10 C ATOM 1112 O GLU A 668 -5.847 7.443 -5.047 1.00 72.24 O ATOM 1113 CB GLU A 668 -6.760 4.560 -4.061 1.00 13.24 C ATOM 1114 CG GLU A 668 -7.178 4.474 -5.519 1.00 41.43 C ATOM 1115 CD GLU A 668 -8.222 3.404 -5.766 1.00 22.43 C ATOM 1116 OE1 GLU A 668 -7.930 2.219 -5.497 1.00 71.30 O ATOM 1117 OE2 GLU A 668 -9.330 3.748 -6.226 1.00 32.23 O ATOM 0 H GLU A 668 -5.449 4.419 -1.979 1.00 10.40 H new ATOM 0 HA GLU A 668 -4.763 5.151 -4.594 1.00 35.33 H new ATOM 0 HB2 GLU A 668 -6.588 3.553 -3.681 1.00 13.24 H new ATOM 0 HB3 GLU A 668 -7.580 4.984 -3.481 1.00 13.24 H new ATOM 0 HG2 GLU A 668 -7.571 5.440 -5.838 1.00 41.43 H new ATOM 0 HG3 GLU A 668 -6.301 4.269 -6.133 1.00 41.43 H new ATOM 1124 N ARG A 669 -6.115 7.515 -2.814 1.00 70.14 N ATOM 1125 CA ARG A 669 -6.454 8.933 -2.790 1.00 22.43 C ATOM 1126 C ARG A 669 -5.200 9.793 -2.918 1.00 74.02 C ATOM 1127 O ARG A 669 -5.225 10.855 -3.540 1.00 12.23 O ATOM 1128 CB ARG A 669 -7.194 9.280 -1.497 1.00 41.12 C ATOM 1129 CG ARG A 669 -8.489 10.044 -1.724 1.00 33.12 C ATOM 1130 CD ARG A 669 -9.242 10.262 -0.421 1.00 23.02 C ATOM 1131 NE ARG A 669 -10.017 11.500 -0.437 1.00 61.41 N ATOM 1132 CZ ARG A 669 -10.586 12.025 0.642 1.00 72.51 C ATOM 1133 NH1 ARG A 669 -10.467 11.424 1.817 1.00 72.22 N ATOM 1134 NH2 ARG A 669 -11.276 13.154 0.546 1.00 2.12 N ATOM 0 H ARG A 669 -6.110 7.067 -1.898 1.00 70.14 H new ATOM 0 HA ARG A 669 -7.105 9.141 -3.640 1.00 22.43 H new ATOM 0 HB2 ARG A 669 -7.415 8.360 -0.956 1.00 41.12 H new ATOM 0 HB3 ARG A 669 -6.538 9.874 -0.861 1.00 41.12 H new ATOM 0 HG2 ARG A 669 -8.269 11.007 -2.184 1.00 33.12 H new ATOM 0 HG3 ARG A 669 -9.120 9.494 -2.423 1.00 33.12 H new ATOM 0 HD2 ARG A 669 -9.909 9.419 -0.243 1.00 23.02 H new ATOM 0 HD3 ARG A 669 -8.534 10.289 0.407 1.00 23.02 H new ATOM 0 HE ARG A 669 -10.127 11.988 -1.326 1.00 61.41 H new ATOM 0 HH11 ARG A 669 -9.937 10.556 1.894 1.00 72.22 H new ATOM 0 HH12 ARG A 669 -10.905 11.830 2.644 1.00 72.22 H new ATOM 0 HH21 ARG A 669 -11.370 13.619 -0.357 1.00 2.12 H new ATOM 0 HH22 ARG A 669 -11.713 13.557 1.375 1.00 2.12 H new ATOM 1148 N TYR A 670 -4.107 9.329 -2.324 1.00 65.50 N ATOM 1149 CA TYR A 670 -2.844 10.056 -2.369 1.00 2.13 C ATOM 1150 C TYR A 670 -2.142 9.847 -3.707 1.00 42.54 C ATOM 1151 O TYR A 670 -1.512 10.761 -4.240 1.00 3.44 O ATOM 1152 CB TYR A 670 -1.932 9.608 -1.226 1.00 65.35 C ATOM 1153 CG TYR A 670 -2.107 10.415 0.041 1.00 43.32 C ATOM 1154 CD1 TYR A 670 -3.372 10.675 0.554 1.00 71.42 C ATOM 1155 CD2 TYR A 670 -1.007 10.917 0.725 1.00 70.52 C ATOM 1156 CE1 TYR A 670 -3.536 11.412 1.710 1.00 20.34 C ATOM 1157 CE2 TYR A 670 -1.162 11.654 1.883 1.00 14.40 C ATOM 1158 CZ TYR A 670 -2.428 11.899 2.371 1.00 12.03 C ATOM 1159 OH TYR A 670 -2.588 12.633 3.524 1.00 31.24 O ATOM 0 H TYR A 670 -4.070 8.452 -1.805 1.00 65.50 H new ATOM 0 HA TYR A 670 -3.062 11.118 -2.256 1.00 2.13 H new ATOM 0 HB2 TYR A 670 -2.126 8.558 -1.008 1.00 65.35 H new ATOM 0 HB3 TYR A 670 -0.894 9.679 -1.551 1.00 65.35 H new ATOM 0 HD1 TYR A 670 -4.242 10.294 0.040 1.00 71.42 H new ATOM 0 HD2 TYR A 670 -0.014 10.728 0.345 1.00 70.52 H new ATOM 0 HE1 TYR A 670 -4.526 11.606 2.094 1.00 20.34 H new ATOM 0 HE2 TYR A 670 -0.296 12.036 2.403 1.00 14.40 H new ATOM 0 HH TYR A 670 -1.709 12.900 3.866 1.00 31.24 H new ATOM 1169 N VAL A 671 -2.256 8.637 -4.246 1.00 54.31 N ATOM 1170 CA VAL A 671 -1.635 8.307 -5.522 1.00 63.14 C ATOM 1171 C VAL A 671 -2.329 9.025 -6.674 1.00 74.33 C ATOM 1172 O VAL A 671 -1.700 9.371 -7.675 1.00 13.24 O ATOM 1173 CB VAL A 671 -1.665 6.790 -5.786 1.00 5.14 C ATOM 1174 CG1 VAL A 671 -3.070 6.339 -6.154 1.00 22.22 C ATOM 1175 CG2 VAL A 671 -0.673 6.419 -6.877 1.00 45.25 C ATOM 0 H VAL A 671 -2.773 7.869 -3.818 1.00 54.31 H new ATOM 0 HA VAL A 671 -0.598 8.638 -5.463 1.00 63.14 H new ATOM 0 HB VAL A 671 -1.373 6.274 -4.871 1.00 5.14 H new ATOM 0 HG11 VAL A 671 -3.071 5.264 -6.337 1.00 22.22 H new ATOM 0 HG12 VAL A 671 -3.752 6.568 -5.335 1.00 22.22 H new ATOM 0 HG13 VAL A 671 -3.395 6.860 -7.054 1.00 22.22 H new ATOM 0 HG21 VAL A 671 -0.708 5.343 -7.050 1.00 45.25 H new ATOM 0 HG22 VAL A 671 -0.931 6.943 -7.797 1.00 45.25 H new ATOM 0 HG23 VAL A 671 0.332 6.704 -6.567 1.00 45.25 H new ATOM 1185 N THR A 672 -3.632 9.247 -6.526 1.00 42.22 N ATOM 1186 CA THR A 672 -4.413 9.924 -7.554 1.00 34.32 C ATOM 1187 C THR A 672 -4.160 11.426 -7.538 1.00 14.55 C ATOM 1188 O THR A 672 -4.224 12.088 -8.573 1.00 11.11 O ATOM 1189 CB THR A 672 -5.921 9.666 -7.373 1.00 53.12 C ATOM 1190 OG1 THR A 672 -6.196 8.265 -7.483 1.00 41.41 O ATOM 1191 CG2 THR A 672 -6.729 10.430 -8.412 1.00 12.42 C ATOM 0 H THR A 672 -4.168 8.968 -5.704 1.00 42.22 H new ATOM 0 HA THR A 672 -4.094 9.516 -8.513 1.00 34.32 H new ATOM 0 HB THR A 672 -6.210 10.015 -6.382 1.00 53.12 H new ATOM 0 HG1 THR A 672 -5.797 7.793 -6.723 1.00 41.41 H new ATOM 0 HG21 THR A 672 -7.791 10.232 -8.265 1.00 12.42 H new ATOM 0 HG22 THR A 672 -6.541 11.498 -8.306 1.00 12.42 H new ATOM 0 HG23 THR A 672 -6.435 10.107 -9.411 1.00 12.42 H new ATOM 1199 N SER A 673 -3.872 11.960 -6.355 1.00 3.21 N ATOM 1200 CA SER A 673 -3.612 13.387 -6.203 1.00 65.41 C ATOM 1201 C SER A 673 -2.260 13.759 -6.804 1.00 2.34 C ATOM 1202 O SER A 673 -2.089 14.852 -7.345 1.00 2.40 O ATOM 1203 CB SER A 673 -3.651 13.780 -4.725 1.00 35.43 C ATOM 1204 OG SER A 673 -3.584 15.186 -4.569 1.00 15.14 O ATOM 0 H SER A 673 -3.813 11.426 -5.488 1.00 3.21 H new ATOM 0 HA SER A 673 -4.391 13.932 -6.737 1.00 65.41 H new ATOM 0 HB2 SER A 673 -4.567 13.404 -4.270 1.00 35.43 H new ATOM 0 HB3 SER A 673 -2.818 13.313 -4.199 1.00 35.43 H new ATOM 0 HG SER A 673 -3.612 15.411 -3.616 1.00 15.14 H new ATOM 1210 N CYS A 674 -1.303 12.844 -6.704 1.00 70.40 N ATOM 1211 CA CYS A 674 0.036 13.075 -7.236 1.00 54.32 C ATOM 1212 C CYS A 674 0.105 12.700 -8.713 1.00 4.42 C ATOM 1213 O CYS A 674 0.565 13.486 -9.543 1.00 24.25 O ATOM 1214 CB CYS A 674 1.068 12.272 -6.444 1.00 23.04 C ATOM 1215 SG CYS A 674 1.486 12.989 -4.838 1.00 21.33 S ATOM 0 H CYS A 674 -1.429 11.935 -6.259 1.00 70.40 H new ATOM 0 HA CYS A 674 0.261 14.137 -7.138 1.00 54.32 H new ATOM 0 HB2 CYS A 674 0.687 11.262 -6.291 1.00 23.04 H new ATOM 0 HB3 CYS A 674 1.978 12.183 -7.038 1.00 23.04 H new ATOM 0 HG CYS A 674 1.808 12.040 -4.010 1.00 21.33 H new ATOM 1221 N LEU A 675 -0.352 11.495 -9.033 1.00 73.15 N ATOM 1222 CA LEU A 675 -0.341 11.014 -10.412 1.00 25.35 C ATOM 1223 C LEU A 675 -1.360 11.767 -11.260 1.00 25.33 C ATOM 1224 O LEU A 675 -1.187 11.915 -12.469 1.00 71.43 O ATOM 1225 CB LEU A 675 -0.635 9.514 -10.451 1.00 21.53 C ATOM 1226 CG LEU A 675 0.093 8.715 -11.532 1.00 54.14 C ATOM 1227 CD1 LEU A 675 -0.191 7.229 -11.380 1.00 61.13 C ATOM 1228 CD2 LEU A 675 -0.314 9.198 -12.917 1.00 15.43 C ATOM 0 H LEU A 675 -0.735 10.833 -8.358 1.00 73.15 H new ATOM 0 HA LEU A 675 0.651 11.194 -10.826 1.00 25.35 H new ATOM 0 HB2 LEU A 675 -0.381 9.089 -9.480 1.00 21.53 H new ATOM 0 HB3 LEU A 675 -1.708 9.378 -10.587 1.00 21.53 H new ATOM 0 HG LEU A 675 1.165 8.873 -11.414 1.00 54.14 H new ATOM 0 HD11 LEU A 675 0.336 6.676 -12.158 1.00 61.13 H new ATOM 0 HD12 LEU A 675 0.150 6.892 -10.401 1.00 61.13 H new ATOM 0 HD13 LEU A 675 -1.263 7.052 -11.471 1.00 61.13 H new ATOM 0 HD21 LEU A 675 0.214 8.618 -13.674 1.00 15.43 H new ATOM 0 HD22 LEU A 675 -1.389 9.070 -13.046 1.00 15.43 H new ATOM 0 HD23 LEU A 675 -0.059 10.252 -13.024 1.00 15.43 H new ATOM 1240 N ARG A 676 -2.422 12.242 -10.616 1.00 44.14 N ATOM 1241 CA ARG A 676 -3.469 12.981 -11.312 1.00 65.10 C ATOM 1242 C ARG A 676 -4.161 12.098 -12.346 1.00 55.11 C ATOM 1243 O ARG A 676 -4.126 12.380 -13.543 1.00 52.42 O ATOM 1244 CB ARG A 676 -2.883 14.218 -11.993 1.00 41.42 C ATOM 1245 CG ARG A 676 -3.910 15.302 -12.275 1.00 43.50 C ATOM 1246 CD ARG A 676 -3.246 16.603 -12.699 1.00 73.53 C ATOM 1247 NE ARG A 676 -4.133 17.750 -12.532 1.00 12.35 N ATOM 1248 CZ ARG A 676 -4.391 18.315 -11.357 1.00 43.24 C ATOM 1249 NH1 ARG A 676 -3.832 17.840 -10.253 1.00 4.00 N ATOM 1250 NH2 ARG A 676 -5.209 19.357 -11.285 1.00 63.04 N ATOM 0 H ARG A 676 -2.580 12.128 -9.615 1.00 44.14 H new ATOM 0 HA ARG A 676 -4.208 13.296 -10.575 1.00 65.10 H new ATOM 0 HB2 ARG A 676 -2.095 14.631 -11.362 1.00 41.42 H new ATOM 0 HB3 ARG A 676 -2.416 13.919 -12.931 1.00 41.42 H new ATOM 0 HG2 ARG A 676 -4.589 14.966 -13.059 1.00 43.50 H new ATOM 0 HG3 ARG A 676 -4.513 15.474 -11.383 1.00 43.50 H new ATOM 0 HD2 ARG A 676 -2.341 16.756 -12.111 1.00 73.53 H new ATOM 0 HD3 ARG A 676 -2.940 16.530 -13.743 1.00 73.53 H new ATOM 0 HE ARG A 676 -4.579 18.139 -13.362 1.00 12.35 H new ATOM 0 HH11 ARG A 676 -3.202 17.039 -10.304 1.00 4.00 H new ATOM 0 HH12 ARG A 676 -4.032 18.275 -9.352 1.00 4.00 H new ATOM 0 HH21 ARG A 676 -5.641 19.726 -12.132 1.00 63.04 H new ATOM 0 HH22 ARG A 676 -5.406 19.789 -10.382 1.00 63.04 H new ATOM 1264 N LYS A 677 -4.791 11.027 -11.875 1.00 12.25 N ATOM 1265 CA LYS A 677 -5.494 10.102 -12.757 1.00 23.21 C ATOM 1266 C LYS A 677 -6.140 8.974 -11.959 1.00 43.13 C ATOM 1267 O LYS A 677 -5.577 8.494 -10.975 1.00 71.24 O ATOM 1268 CB LYS A 677 -4.528 9.520 -13.793 1.00 14.40 C ATOM 1269 CG LYS A 677 -4.993 9.705 -15.227 1.00 72.23 C ATOM 1270 CD LYS A 677 -3.857 9.489 -16.213 1.00 64.31 C ATOM 1271 CE LYS A 677 -4.102 8.269 -17.087 1.00 70.43 C ATOM 1272 NZ LYS A 677 -3.010 8.067 -18.079 1.00 5.33 N ATOM 0 H LYS A 677 -4.829 10.778 -10.887 1.00 12.25 H new ATOM 0 HA LYS A 677 -6.280 10.655 -13.271 1.00 23.21 H new ATOM 0 HB2 LYS A 677 -3.552 9.990 -13.672 1.00 14.40 H new ATOM 0 HB3 LYS A 677 -4.395 8.456 -13.597 1.00 14.40 H new ATOM 0 HG2 LYS A 677 -5.801 9.005 -15.442 1.00 72.23 H new ATOM 0 HG3 LYS A 677 -5.399 10.709 -15.352 1.00 72.23 H new ATOM 0 HD2 LYS A 677 -3.747 10.372 -16.842 1.00 64.31 H new ATOM 0 HD3 LYS A 677 -2.920 9.366 -15.669 1.00 64.31 H new ATOM 0 HE2 LYS A 677 -4.189 7.383 -16.458 1.00 70.43 H new ATOM 0 HE3 LYS A 677 -5.051 8.382 -17.610 1.00 70.43 H new ATOM 0 HZ1 LYS A 677 -3.215 7.226 -18.655 1.00 5.33 H new ATOM 0 HZ2 LYS A 677 -2.943 8.901 -18.697 1.00 5.33 H new ATOM 0 HZ3 LYS A 677 -2.108 7.933 -17.580 1.00 5.33 H new ATOM 1286 N LYS A 678 -7.325 8.554 -12.390 1.00 44.11 N ATOM 1287 CA LYS A 678 -8.047 7.480 -11.718 1.00 1.20 C ATOM 1288 C LYS A 678 -7.546 6.116 -12.179 1.00 50.03 C ATOM 1289 O LYS A 678 -6.725 6.054 -13.092 1.00 43.45 O ATOM 1290 CB LYS A 678 -9.549 7.601 -11.987 1.00 44.52 C ATOM 1291 CG LYS A 678 -10.414 7.170 -10.816 1.00 64.23 C ATOM 1292 CD LYS A 678 -11.569 6.294 -11.269 1.00 12.50 C ATOM 1293 CE LYS A 678 -12.536 7.063 -12.157 1.00 44.11 C ATOM 1294 NZ LYS A 678 -13.908 6.485 -12.115 1.00 61.14 N ATOM 0 H LYS A 678 -7.806 8.941 -13.202 1.00 44.11 H new ATOM 0 HA LYS A 678 -7.867 7.570 -10.647 1.00 1.20 H new ATOM 0 HB2 LYS A 678 -9.782 8.636 -12.238 1.00 44.52 H new ATOM 0 HB3 LYS A 678 -9.803 6.996 -12.857 1.00 44.52 H new ATOM 0 HG2 LYS A 678 -9.805 6.626 -10.094 1.00 64.23 H new ATOM 0 HG3 LYS A 678 -10.803 8.051 -10.306 1.00 64.23 H new ATOM 0 HD2 LYS A 678 -11.182 5.432 -11.812 1.00 12.50 H new ATOM 0 HD3 LYS A 678 -12.100 5.910 -10.398 1.00 12.50 H new ATOM 0 HE2 LYS A 678 -12.571 8.105 -11.839 1.00 44.11 H new ATOM 0 HE3 LYS A 678 -12.170 7.056 -13.184 1.00 44.11 H new ATOM 0 HZ1 LYS A 678 -14.536 7.037 -12.733 1.00 61.14 H new ATOM 0 HZ2 LYS A 678 -13.879 5.498 -12.443 1.00 61.14 H new ATOM 0 HZ3 LYS A 678 -14.268 6.515 -11.140 1.00 61.14 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.950 3.520 -2.452 1.00 61.04 N ATOM 1310 CA THR B 389 15.538 3.876 -2.501 1.00 11.33 C ATOM 1311 C THR B 389 14.661 2.710 -2.058 1.00 2.21 C ATOM 1312 O THR B 389 15.164 1.677 -1.614 1.00 42.51 O ATOM 1313 CB THR B 389 15.116 4.311 -3.917 1.00 62.14 C ATOM 1314 OG1 THR B 389 16.245 4.270 -4.799 1.00 33.14 O ATOM 1315 CG2 THR B 389 14.531 5.715 -3.901 1.00 34.33 C ATOM 0 HA THR B 389 15.400 4.712 -1.816 1.00 11.33 H new ATOM 0 HB THR B 389 14.351 3.620 -4.272 1.00 62.14 H new ATOM 0 HG1 THR B 389 17.055 4.074 -4.284 1.00 33.14 H new ATOM 0 HG21 THR B 389 14.241 6.000 -4.912 1.00 34.33 H new ATOM 0 HG22 THR B 389 13.655 5.737 -3.252 1.00 34.33 H new ATOM 0 HG23 THR B 389 15.277 6.416 -3.527 1.00 34.33 H new ATOM 1323 N TRP B 390 13.350 2.882 -2.180 1.00 44.52 N ATOM 1324 CA TRP B 390 12.404 1.843 -1.792 1.00 40.13 C ATOM 1325 C TRP B 390 12.112 0.908 -2.961 1.00 2.41 C ATOM 1326 O TRP B 390 12.272 1.284 -4.123 1.00 35.24 O ATOM 1327 CB TRP B 390 11.103 2.471 -1.288 1.00 64.05 C ATOM 1328 CG TRP B 390 11.138 2.823 0.168 1.00 41.21 C ATOM 1329 CD1 TRP B 390 11.762 3.896 0.737 1.00 43.54 C ATOM 1330 CD2 TRP B 390 10.525 2.099 1.239 1.00 24.02 C ATOM 1331 NE1 TRP B 390 11.574 3.883 2.097 1.00 4.31 N ATOM 1332 CE2 TRP B 390 10.817 2.791 2.431 1.00 40.24 C ATOM 1333 CE3 TRP B 390 9.756 0.935 1.309 1.00 74.23 C ATOM 1334 CZ2 TRP B 390 10.368 2.356 3.675 1.00 71.31 C ATOM 1335 CZ3 TRP B 390 9.310 0.503 2.544 1.00 51.31 C ATOM 1336 CH2 TRP B 390 9.616 1.212 3.713 1.00 2.12 C ATOM 0 H TRP B 390 12.918 3.731 -2.545 1.00 44.52 H new ATOM 0 HA TRP B 390 12.853 1.260 -0.988 1.00 40.13 H new ATOM 0 HB2 TRP B 390 10.894 3.371 -1.867 1.00 64.05 H new ATOM 0 HB3 TRP B 390 10.281 1.779 -1.467 1.00 64.05 H new ATOM 0 HD1 TRP B 390 12.321 4.645 0.196 1.00 43.54 H new ATOM 0 HE1 TRP B 390 11.939 4.574 2.752 1.00 4.31 H new ATOM 0 HE3 TRP B 390 9.514 0.382 0.413 1.00 74.23 H new ATOM 0 HZ2 TRP B 390 10.604 2.901 4.577 1.00 71.31 H new ATOM 0 HZ3 TRP B 390 8.716 -0.396 2.609 1.00 51.31 H new ATOM 0 HH2 TRP B 390 9.252 0.849 4.663 1.00 2.12 H new ATOM 1347 N ARG B 391 11.685 -0.311 -2.646 1.00 50.22 N ATOM 1348 CA ARG B 391 11.373 -1.299 -3.671 1.00 70.24 C ATOM 1349 C ARG B 391 9.999 -1.918 -3.430 1.00 3.12 C ATOM 1350 O ARG B 391 9.349 -1.637 -2.422 1.00 63.22 O ATOM 1351 CB ARG B 391 12.441 -2.394 -3.697 1.00 13.14 C ATOM 1352 CG ARG B 391 12.624 -3.095 -2.360 1.00 65.32 C ATOM 1353 CD ARG B 391 14.081 -3.460 -2.119 1.00 34.41 C ATOM 1354 NE ARG B 391 14.913 -2.280 -1.903 1.00 53.40 N ATOM 1355 CZ ARG B 391 16.236 -2.284 -2.010 1.00 22.51 C ATOM 1356 NH1 ARG B 391 16.876 -3.401 -2.328 1.00 34.51 N ATOM 1357 NH2 ARG B 391 16.924 -1.169 -1.798 1.00 31.11 N ATOM 0 H ARG B 391 11.547 -0.637 -1.689 1.00 50.22 H new ATOM 0 HA ARG B 391 11.359 -0.792 -4.636 1.00 70.24 H new ATOM 0 HB2 ARG B 391 12.174 -3.133 -4.452 1.00 13.14 H new ATOM 0 HB3 ARG B 391 13.392 -1.956 -4.002 1.00 13.14 H new ATOM 0 HG2 ARG B 391 12.272 -2.448 -1.557 1.00 65.32 H new ATOM 0 HG3 ARG B 391 12.012 -3.997 -2.334 1.00 65.32 H new ATOM 0 HD2 ARG B 391 14.151 -4.117 -1.252 1.00 34.41 H new ATOM 0 HD3 ARG B 391 14.461 -4.019 -2.974 1.00 34.41 H new ATOM 0 HE ARG B 391 14.452 -1.404 -1.656 1.00 53.40 H new ATOM 0 HH11 ARG B 391 16.352 -4.260 -2.491 1.00 34.51 H new ATOM 0 HH12 ARG B 391 17.893 -3.401 -2.409 1.00 34.51 H new ATOM 0 HH21 ARG B 391 16.436 -0.308 -1.552 1.00 31.11 H new ATOM 0 HH22 ARG B 391 17.941 -1.174 -1.881 1.00 31.11 H new ATOM 1371 N VAL B 392 9.563 -2.761 -4.360 1.00 41.24 N ATOM 1372 CA VAL B 392 8.268 -3.420 -4.248 1.00 13.41 C ATOM 1373 C VAL B 392 8.359 -4.885 -4.660 1.00 21.44 C ATOM 1374 O VAL B 392 8.914 -5.212 -5.707 1.00 44.43 O ATOM 1375 CB VAL B 392 7.205 -2.720 -5.116 1.00 53.43 C ATOM 1376 CG1 VAL B 392 7.573 -2.811 -6.589 1.00 21.25 C ATOM 1377 CG2 VAL B 392 5.830 -3.322 -4.863 1.00 63.14 C ATOM 0 H VAL B 392 10.088 -3.004 -5.200 1.00 41.24 H new ATOM 0 HA VAL B 392 7.971 -3.357 -3.201 1.00 13.41 H new ATOM 0 HB VAL B 392 7.172 -1.666 -4.839 1.00 53.43 H new ATOM 0 HG11 VAL B 392 6.810 -2.311 -7.186 1.00 21.25 H new ATOM 0 HG12 VAL B 392 8.537 -2.329 -6.754 1.00 21.25 H new ATOM 0 HG13 VAL B 392 7.636 -3.858 -6.884 1.00 21.25 H new ATOM 0 HG21 VAL B 392 5.091 -2.816 -5.484 1.00 63.14 H new ATOM 0 HG22 VAL B 392 5.846 -4.383 -5.111 1.00 63.14 H new ATOM 0 HG23 VAL B 392 5.566 -3.199 -3.813 1.00 63.14 H new ATOM 1387 N GLN B 393 7.810 -5.763 -3.826 1.00 51.31 N ATOM 1388 CA GLN B 393 7.830 -7.195 -4.104 1.00 14.14 C ATOM 1389 C GLN B 393 6.500 -7.841 -3.727 1.00 2.33 C ATOM 1390 O GLN B 393 6.150 -7.921 -2.549 1.00 4.32 O ATOM 1391 CB GLN B 393 8.973 -7.867 -3.341 1.00 34.54 C ATOM 1392 CG GLN B 393 10.343 -7.305 -3.679 1.00 3.40 C ATOM 1393 CD GLN B 393 11.317 -7.406 -2.522 1.00 63.22 C ATOM 1394 OE1 GLN B 393 12.380 -8.017 -2.642 1.00 22.23 O ATOM 1395 NE2 GLN B 393 10.960 -6.807 -1.392 1.00 73.23 N ATOM 0 H GLN B 393 7.347 -5.509 -2.954 1.00 51.31 H new ATOM 0 HA GLN B 393 7.988 -7.331 -5.174 1.00 14.14 H new ATOM 0 HB2 GLN B 393 8.798 -7.757 -2.271 1.00 34.54 H new ATOM 0 HB3 GLN B 393 8.964 -8.935 -3.557 1.00 34.54 H new ATOM 0 HG2 GLN B 393 10.749 -7.839 -4.538 1.00 3.40 H new ATOM 0 HG3 GLN B 393 10.241 -6.260 -3.973 1.00 3.40 H new ATOM 0 HE21 GLN B 393 10.070 -6.312 -1.336 1.00 73.23 H new ATOM 0 HE22 GLN B 393 11.576 -6.842 -0.580 1.00 73.23 H new ATOM 1404 N ARG B 394 5.765 -8.300 -4.733 1.00 30.03 N ATOM 1405 CA ARG B 394 4.474 -8.938 -4.507 1.00 30.55 C ATOM 1406 C ARG B 394 4.651 -10.403 -4.118 1.00 62.02 C ATOM 1407 O ARG B 394 5.746 -10.956 -4.226 1.00 25.22 O ATOM 1408 CB ARG B 394 3.603 -8.834 -5.760 1.00 74.14 C ATOM 1409 CG ARG B 394 3.683 -7.480 -6.446 1.00 62.34 C ATOM 1410 CD ARG B 394 4.637 -7.513 -7.631 1.00 12.24 C ATOM 1411 NE ARG B 394 3.981 -7.111 -8.873 1.00 63.51 N ATOM 1412 CZ ARG B 394 3.234 -7.930 -9.607 1.00 12.14 C ATOM 1413 NH1 ARG B 394 3.049 -9.186 -9.225 1.00 1.04 N ATOM 1414 NH2 ARG B 394 2.670 -7.491 -10.724 1.00 73.14 N ATOM 0 H ARG B 394 6.041 -8.242 -5.713 1.00 30.03 H new ATOM 0 HA ARG B 394 3.980 -8.419 -3.685 1.00 30.55 H new ATOM 0 HB2 ARG B 394 3.903 -9.608 -6.466 1.00 74.14 H new ATOM 0 HB3 ARG B 394 2.566 -9.034 -5.489 1.00 74.14 H new ATOM 0 HG2 ARG B 394 2.690 -7.183 -6.784 1.00 62.34 H new ATOM 0 HG3 ARG B 394 4.015 -6.727 -5.731 1.00 62.34 H new ATOM 0 HD2 ARG B 394 5.481 -6.851 -7.436 1.00 12.24 H new ATOM 0 HD3 ARG B 394 5.041 -8.519 -7.743 1.00 12.24 H new ATOM 0 HE ARG B 394 4.103 -6.151 -9.194 1.00 63.51 H new ATOM 0 HH11 ARG B 394 3.480 -9.527 -8.366 1.00 1.04 H new ATOM 0 HH12 ARG B 394 2.475 -9.812 -9.790 1.00 1.04 H new ATOM 0 HH21 ARG B 394 2.809 -6.525 -11.020 1.00 73.14 H new ATOM 0 HH22 ARG B 394 2.097 -8.119 -11.287 1.00 73.14 H new ATOM 1428 N SER B 395 3.567 -11.026 -3.666 1.00 4.02 N ATOM 1429 CA SER B 395 3.605 -12.425 -3.257 1.00 31.54 C ATOM 1430 C SER B 395 2.427 -13.195 -3.848 1.00 21.35 C ATOM 1431 O SER B 395 1.672 -12.665 -4.662 1.00 21.22 O ATOM 1432 CB SER B 395 3.586 -12.533 -1.731 1.00 21.40 C ATOM 1433 OG SER B 395 4.419 -13.590 -1.284 1.00 13.10 O ATOM 0 H SER B 395 2.652 -10.584 -3.574 1.00 4.02 H new ATOM 0 HA SER B 395 4.529 -12.864 -3.633 1.00 31.54 H new ATOM 0 HB2 SER B 395 3.920 -11.593 -1.293 1.00 21.40 H new ATOM 0 HB3 SER B 395 2.565 -12.700 -1.388 1.00 21.40 H new ATOM 0 HG SER B 395 4.391 -13.637 -0.306 1.00 13.10 H new ATOM 1439 N GLN B 396 2.278 -14.448 -3.429 1.00 62.12 N ATOM 1440 CA GLN B 396 1.194 -15.291 -3.917 1.00 74.21 C ATOM 1441 C GLN B 396 -0.161 -14.745 -3.476 1.00 61.31 C ATOM 1442 O GLN B 396 -1.173 -14.956 -4.143 1.00 44.32 O ATOM 1443 CB GLN B 396 1.368 -16.724 -3.411 1.00 74.53 C ATOM 1444 CG GLN B 396 1.183 -16.867 -1.910 1.00 23.13 C ATOM 1445 CD GLN B 396 1.808 -18.135 -1.363 1.00 23.33 C ATOM 1446 OE1 GLN B 396 2.996 -18.392 -1.561 1.00 11.40 O ATOM 1447 NE2 GLN B 396 1.009 -18.938 -0.668 1.00 43.30 N ATOM 0 H GLN B 396 2.894 -14.901 -2.754 1.00 62.12 H new ATOM 0 HA GLN B 396 1.229 -15.290 -5.006 1.00 74.21 H new ATOM 0 HB2 GLN B 396 0.652 -17.369 -3.920 1.00 74.53 H new ATOM 0 HB3 GLN B 396 2.363 -17.077 -3.681 1.00 74.53 H new ATOM 0 HG2 GLN B 396 1.623 -16.004 -1.410 1.00 23.13 H new ATOM 0 HG3 GLN B 396 0.118 -16.862 -1.677 1.00 23.13 H new ATOM 0 HE21 GLN B 396 0.030 -18.687 -0.528 1.00 43.30 H new ATOM 0 HE22 GLN B 396 1.374 -19.805 -0.275 1.00 43.30 H new ATOM 1456 N ASN B 397 -0.171 -14.043 -2.348 1.00 54.00 N ATOM 1457 CA ASN B 397 -1.402 -13.467 -1.818 1.00 13.15 C ATOM 1458 C ASN B 397 -2.177 -12.739 -2.912 1.00 1.25 C ATOM 1459 O ASN B 397 -1.656 -12.448 -3.988 1.00 65.32 O ATOM 1460 CB ASN B 397 -1.087 -12.503 -0.672 1.00 45.12 C ATOM 1461 CG ASN B 397 -1.515 -13.048 0.677 1.00 41.41 C ATOM 1462 OD1 ASN B 397 -2.280 -12.410 1.400 1.00 33.24 O ATOM 1463 ND2 ASN B 397 -1.023 -14.232 1.020 1.00 3.30 N ATOM 0 H ASN B 397 0.658 -13.859 -1.783 1.00 54.00 H new ATOM 0 HA ASN B 397 -2.021 -14.281 -1.439 1.00 13.15 H new ATOM 0 HB2 ASN B 397 -0.016 -12.300 -0.656 1.00 45.12 H new ATOM 0 HB3 ASN B 397 -1.589 -11.552 -0.852 1.00 45.12 H new ATOM 0 HD21 ASN B 397 -1.276 -14.649 1.916 1.00 3.30 H new ATOM 0 HD22 ASN B 397 -0.392 -14.724 0.388 1.00 3.30 H new ATOM 1470 N PRO B 398 -3.453 -12.435 -2.631 1.00 3.43 N ATOM 1471 CA PRO B 398 -4.327 -11.736 -3.577 1.00 62.02 C ATOM 1472 C PRO B 398 -3.921 -10.279 -3.774 1.00 12.41 C ATOM 1473 O PRO B 398 -4.318 -9.640 -4.748 1.00 42.21 O ATOM 1474 CB PRO B 398 -5.705 -11.822 -2.917 1.00 55.20 C ATOM 1475 CG PRO B 398 -5.421 -11.967 -1.462 1.00 25.43 C ATOM 1476 CD PRO B 398 -4.140 -12.751 -1.367 1.00 14.44 C ATOM 0 HA PRO B 398 -4.287 -12.179 -4.572 1.00 62.02 H new ATOM 0 HB2 PRO B 398 -6.296 -10.929 -3.118 1.00 55.20 H new ATOM 0 HB3 PRO B 398 -6.273 -12.672 -3.296 1.00 55.20 H new ATOM 0 HG2 PRO B 398 -5.318 -10.992 -0.985 1.00 25.43 H new ATOM 0 HG3 PRO B 398 -6.235 -12.486 -0.955 1.00 25.43 H new ATOM 0 HD2 PRO B 398 -3.548 -12.451 -0.502 1.00 14.44 H new ATOM 0 HD3 PRO B 398 -4.329 -13.820 -1.269 1.00 14.44 H new ATOM 1484 N LEU B 399 -3.128 -9.760 -2.842 1.00 54.01 N ATOM 1485 CA LEU B 399 -2.668 -8.378 -2.914 1.00 2.54 C ATOM 1486 C LEU B 399 -1.675 -8.076 -1.796 1.00 24.10 C ATOM 1487 O LEU B 399 -1.875 -7.155 -1.004 1.00 1.33 O ATOM 1488 CB LEU B 399 -3.857 -7.419 -2.828 1.00 3.53 C ATOM 1489 CG LEU B 399 -3.799 -6.196 -3.745 1.00 14.42 C ATOM 1490 CD1 LEU B 399 -2.500 -5.432 -3.536 1.00 14.10 C ATOM 1491 CD2 LEU B 399 -3.946 -6.613 -5.200 1.00 72.11 C ATOM 0 H LEU B 399 -2.791 -10.275 -2.029 1.00 54.01 H new ATOM 0 HA LEU B 399 -2.164 -8.238 -3.870 1.00 2.54 H new ATOM 0 HB2 LEU B 399 -4.765 -7.977 -3.056 1.00 3.53 H new ATOM 0 HB3 LEU B 399 -3.945 -7.073 -1.798 1.00 3.53 H new ATOM 0 HG LEU B 399 -4.629 -5.536 -3.491 1.00 14.42 H new ATOM 0 HD11 LEU B 399 -2.477 -4.566 -4.197 1.00 14.10 H new ATOM 0 HD12 LEU B 399 -2.436 -5.100 -2.500 1.00 14.10 H new ATOM 0 HD13 LEU B 399 -1.655 -6.083 -3.761 1.00 14.10 H new ATOM 0 HD21 LEU B 399 -3.902 -5.730 -5.838 1.00 72.11 H new ATOM 0 HD22 LEU B 399 -3.138 -7.294 -5.467 1.00 72.11 H new ATOM 0 HD23 LEU B 399 -4.904 -7.115 -5.340 1.00 72.11 H new ATOM 1503 N LYS B 400 -0.601 -8.857 -1.738 1.00 75.24 N ATOM 1504 CA LYS B 400 0.425 -8.673 -0.720 1.00 64.33 C ATOM 1505 C LYS B 400 1.643 -7.959 -1.299 1.00 22.31 C ATOM 1506 O LYS B 400 2.445 -8.560 -2.015 1.00 52.20 O ATOM 1507 CB LYS B 400 0.844 -10.025 -0.138 1.00 30.22 C ATOM 1508 CG LYS B 400 2.051 -9.945 0.780 1.00 72.33 C ATOM 1509 CD LYS B 400 2.407 -11.306 1.355 1.00 42.24 C ATOM 1510 CE LYS B 400 1.369 -11.774 2.364 1.00 44.33 C ATOM 1511 NZ LYS B 400 1.922 -12.799 3.292 1.00 3.01 N ATOM 0 H LYS B 400 -0.419 -9.624 -2.385 1.00 75.24 H new ATOM 0 HA LYS B 400 0.006 -8.056 0.075 1.00 64.33 H new ATOM 0 HB2 LYS B 400 0.005 -10.449 0.415 1.00 30.22 H new ATOM 0 HB3 LYS B 400 1.065 -10.710 -0.956 1.00 30.22 H new ATOM 0 HG2 LYS B 400 2.903 -9.548 0.228 1.00 72.33 H new ATOM 0 HG3 LYS B 400 1.845 -9.248 1.593 1.00 72.33 H new ATOM 0 HD2 LYS B 400 2.485 -12.034 0.548 1.00 42.24 H new ATOM 0 HD3 LYS B 400 3.385 -11.255 1.834 1.00 42.24 H new ATOM 0 HE2 LYS B 400 1.010 -10.920 2.938 1.00 44.33 H new ATOM 0 HE3 LYS B 400 0.510 -12.188 1.836 1.00 44.33 H new ATOM 0 HZ1 LYS B 400 1.141 -13.309 3.751 1.00 3.01 H new ATOM 0 HZ2 LYS B 400 2.508 -13.472 2.757 1.00 3.01 H new ATOM 0 HZ3 LYS B 400 2.504 -12.333 4.017 1.00 3.01 H new ATOM 1525 N ILE B 401 1.776 -6.675 -0.984 1.00 33.54 N ATOM 1526 CA ILE B 401 2.897 -5.881 -1.471 1.00 13.52 C ATOM 1527 C ILE B 401 3.952 -5.697 -0.386 1.00 23.13 C ATOM 1528 O ILE B 401 3.729 -4.993 0.599 1.00 72.11 O ATOM 1529 CB ILE B 401 2.434 -4.496 -1.961 1.00 10.13 C ATOM 1530 CG1 ILE B 401 1.040 -4.591 -2.585 1.00 64.45 C ATOM 1531 CG2 ILE B 401 3.431 -3.928 -2.961 1.00 72.41 C ATOM 1532 CD1 ILE B 401 -0.079 -4.312 -1.608 1.00 34.24 C ATOM 0 H ILE B 401 1.121 -6.162 -0.394 1.00 33.54 H new ATOM 0 HA ILE B 401 3.331 -6.427 -2.308 1.00 13.52 H new ATOM 0 HB ILE B 401 2.383 -3.822 -1.106 1.00 10.13 H new ATOM 0 HG12 ILE B 401 0.973 -3.886 -3.413 1.00 64.45 H new ATOM 0 HG13 ILE B 401 0.905 -5.588 -3.004 1.00 64.45 H new ATOM 0 HG21 ILE B 401 3.090 -2.949 -3.298 1.00 72.41 H new ATOM 0 HG22 ILE B 401 4.407 -3.829 -2.486 1.00 72.41 H new ATOM 0 HG23 ILE B 401 3.511 -4.599 -3.816 1.00 72.41 H new ATOM 0 HD11 ILE B 401 -1.038 -4.397 -2.119 1.00 34.24 H new ATOM 0 HD12 ILE B 401 -0.038 -5.033 -0.792 1.00 34.24 H new ATOM 0 HD13 ILE B 401 0.031 -3.304 -1.207 1.00 34.24 H new ATOM 1544 N ARG B 402 5.103 -6.334 -0.574 1.00 10.51 N ATOM 1545 CA ARG B 402 6.194 -6.240 0.389 1.00 41.01 C ATOM 1546 C ARG B 402 7.102 -5.056 0.067 1.00 23.15 C ATOM 1547 O ARG B 402 8.008 -5.161 -0.762 1.00 35.43 O ATOM 1548 CB ARG B 402 7.009 -7.534 0.396 1.00 61.14 C ATOM 1549 CG ARG B 402 8.215 -7.490 1.320 1.00 14.11 C ATOM 1550 CD ARG B 402 8.090 -8.503 2.447 1.00 70.33 C ATOM 1551 NE ARG B 402 9.112 -9.543 2.364 1.00 74.31 N ATOM 1552 CZ ARG B 402 9.015 -10.607 1.575 1.00 24.20 C ATOM 1553 NH1 ARG B 402 7.949 -10.770 0.804 1.00 50.23 N ATOM 1554 NH2 ARG B 402 9.988 -11.510 1.555 1.00 14.21 N ATOM 0 H ARG B 402 5.304 -6.921 -1.384 1.00 10.51 H new ATOM 0 HA ARG B 402 5.761 -6.086 1.377 1.00 41.01 H new ATOM 0 HB2 ARG B 402 6.362 -8.359 0.696 1.00 61.14 H new ATOM 0 HB3 ARG B 402 7.347 -7.746 -0.618 1.00 61.14 H new ATOM 0 HG2 ARG B 402 9.121 -7.691 0.748 1.00 14.11 H new ATOM 0 HG3 ARG B 402 8.318 -6.489 1.739 1.00 14.11 H new ATOM 0 HD2 ARG B 402 8.171 -7.991 3.406 1.00 70.33 H new ATOM 0 HD3 ARG B 402 7.102 -8.962 2.414 1.00 70.33 H new ATOM 0 HE ARG B 402 9.946 -9.447 2.944 1.00 74.31 H new ATOM 0 HH11 ARG B 402 7.200 -10.077 0.816 1.00 50.23 H new ATOM 0 HH12 ARG B 402 7.877 -11.588 0.199 1.00 50.23 H new ATOM 0 HH21 ARG B 402 10.810 -11.387 2.146 1.00 14.21 H new ATOM 0 HH22 ARG B 402 9.913 -12.327 0.949 1.00 14.21 H new ATOM 1568 N LEU B 403 6.854 -3.931 0.728 1.00 51.23 N ATOM 1569 CA LEU B 403 7.649 -2.726 0.513 1.00 72.11 C ATOM 1570 C LEU B 403 8.844 -2.687 1.460 1.00 11.52 C ATOM 1571 O LEU B 403 8.729 -3.027 2.638 1.00 44.12 O ATOM 1572 CB LEU B 403 6.784 -1.480 0.711 1.00 44.44 C ATOM 1573 CG LEU B 403 5.926 -1.062 -0.483 1.00 50.33 C ATOM 1574 CD1 LEU B 403 5.602 -2.265 -1.354 1.00 63.43 C ATOM 1575 CD2 LEU B 403 4.647 -0.386 -0.010 1.00 4.32 C ATOM 0 H LEU B 403 6.109 -3.827 1.417 1.00 51.23 H new ATOM 0 HA LEU B 403 8.022 -2.743 -0.511 1.00 72.11 H new ATOM 0 HB2 LEU B 403 6.126 -1.650 1.563 1.00 44.44 H new ATOM 0 HB3 LEU B 403 7.436 -0.647 0.973 1.00 44.44 H new ATOM 0 HG LEU B 403 6.492 -0.348 -1.080 1.00 50.33 H new ATOM 0 HD11 LEU B 403 4.991 -1.948 -2.199 1.00 63.43 H new ATOM 0 HD12 LEU B 403 6.528 -2.708 -1.722 1.00 63.43 H new ATOM 0 HD13 LEU B 403 5.055 -3.003 -0.767 1.00 63.43 H new ATOM 0 HD21 LEU B 403 4.049 -0.095 -0.873 1.00 4.32 H new ATOM 0 HD22 LEU B 403 4.077 -1.078 0.610 1.00 4.32 H new ATOM 0 HD23 LEU B 403 4.898 0.500 0.573 1.00 4.32 H new ATOM 1587 N THR B 404 9.992 -2.265 0.939 1.00 55.04 N ATOM 1588 CA THR B 404 11.208 -2.179 1.737 1.00 12.11 C ATOM 1589 C THR B 404 12.107 -1.049 1.249 1.00 52.24 C ATOM 1590 O THR B 404 12.231 -0.816 0.047 1.00 61.13 O ATOM 1591 CB THR B 404 11.999 -3.500 1.701 1.00 60.22 C ATOM 1592 OG1 THR B 404 12.592 -3.681 0.410 1.00 51.24 O ATOM 1593 CG2 THR B 404 11.094 -4.681 2.018 1.00 31.13 C ATOM 0 H THR B 404 10.105 -1.977 -0.033 1.00 55.04 H new ATOM 0 HA THR B 404 10.899 -1.977 2.763 1.00 12.11 H new ATOM 0 HB THR B 404 12.783 -3.449 2.457 1.00 60.22 H new ATOM 0 HG1 THR B 404 12.667 -4.639 0.216 1.00 51.24 H new ATOM 0 HG21 THR B 404 11.675 -5.603 1.987 1.00 31.13 H new ATOM 0 HG22 THR B 404 10.666 -4.555 3.013 1.00 31.13 H new ATOM 0 HG23 THR B 404 10.292 -4.732 1.282 1.00 31.13 H new ATOM 1601 N ARG B 405 12.733 -0.349 2.189 1.00 0.24 N ATOM 1602 CA ARG B 405 13.621 0.758 1.855 1.00 42.32 C ATOM 1603 C ARG B 405 14.626 0.344 0.783 1.00 54.22 C ATOM 1604 O ARG B 405 15.828 0.279 1.038 1.00 54.24 O ATOM 1605 CB ARG B 405 14.361 1.242 3.102 1.00 21.15 C ATOM 1606 CG ARG B 405 13.469 1.969 4.097 1.00 63.52 C ATOM 1607 CD ARG B 405 14.223 2.315 5.372 1.00 72.41 C ATOM 1608 NE ARG B 405 15.516 2.932 5.093 1.00 34.05 N ATOM 1609 CZ ARG B 405 15.654 4.164 4.614 1.00 4.40 C ATOM 1610 NH1 ARG B 405 14.584 4.905 4.363 1.00 32.31 N ATOM 1611 NH2 ARG B 405 16.865 4.657 4.387 1.00 22.13 N ATOM 0 H ARG B 405 12.642 -0.529 3.189 1.00 0.24 H new ATOM 0 HA ARG B 405 13.012 1.573 1.464 1.00 42.32 H new ATOM 0 HB2 ARG B 405 14.820 0.386 3.597 1.00 21.15 H new ATOM 0 HB3 ARG B 405 15.170 1.907 2.799 1.00 21.15 H new ATOM 0 HG2 ARG B 405 13.083 2.881 3.642 1.00 63.52 H new ATOM 0 HG3 ARG B 405 12.609 1.345 4.340 1.00 63.52 H new ATOM 0 HD2 ARG B 405 13.621 2.993 5.976 1.00 72.41 H new ATOM 0 HD3 ARG B 405 14.373 1.410 5.961 1.00 72.41 H new ATOM 0 HE ARG B 405 16.359 2.388 5.276 1.00 34.05 H new ATOM 0 HH11 ARG B 405 13.652 4.530 4.537 1.00 32.31 H new ATOM 0 HH12 ARG B 405 14.693 5.850 3.995 1.00 32.31 H new ATOM 0 HH21 ARG B 405 17.691 4.090 4.580 1.00 22.13 H new ATOM 0 HH22 ARG B 405 16.970 5.603 4.019 1.00 22.13 H new TER 1625 ARG B 405