USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 393 GLN : amide:sc= -2.65 K(o=-4.1,f=-11!) USER MOD Set 1.2: B 404 THR OG1 : rot -156:sc= -1.45 USER MOD Set 2.1: A 610 MET CE :methyl -152:sc= -3.3 (180deg=-6.17!) USER MOD Set 2.2: A 615 LYS NZ :NH3+ -120:sc= -3.14 (180deg=-3.16!) USER MOD Single : A 601 SER OG : rot 180:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 CYS SG : rot -99:sc= 0.565 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 617 GLN : amide:sc= -0.936 K(o=-0.94,f=-2) USER MOD Single : A 619 SER OG : rot -81:sc= -0.0931 USER MOD Single : A 623 ASN : amide:sc= -4.24! C(o=-4.2!,f=-2.3!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 635 HIS : no HD1:sc= -0.559 K(o=-0.56,f=-0.033) USER MOD Single : A 638 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.041) USER MOD Single : A 639 SER OG : rot -85:sc= 0.107 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= -0.106 K(o=-0.11,f=-2.2!) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -2.76 K(o=-2.8,f=-1.2) USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 150:sc= -0.236 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot 180:sc= 0 USER MOD Single : A 677 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 389 THR OG1 : rot -1:sc= 0.845 USER MOD Single : B 395 SER OG : rot 180:sc= 0.031 USER MOD Single : B 396 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.82) USER MOD Single : B 397 ASN : amide:sc= -3.38! C(o=-3.4!,f=-4.8!) USER MOD Single : B 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -11.093 16.680 9.226 1.00 53.51 N ATOM 2 CA GLU A 600 -10.833 15.924 10.446 1.00 73.14 C ATOM 3 C GLU A 600 -10.706 14.434 10.144 1.00 33.43 C ATOM 4 O GLU A 600 -9.793 13.767 10.630 1.00 64.11 O ATOM 5 CB GLU A 600 -11.950 16.157 11.464 1.00 72.20 C ATOM 6 CG GLU A 600 -11.521 16.992 12.659 1.00 22.10 C ATOM 7 CD GLU A 600 -11.270 16.153 13.897 1.00 65.43 C ATOM 8 OE1 GLU A 600 -10.140 15.642 14.047 1.00 22.13 O ATOM 9 OE2 GLU A 600 -12.202 16.007 14.715 1.00 72.23 O ATOM 0 HA GLU A 600 -9.890 16.273 10.867 1.00 73.14 H new ATOM 0 HB2 GLU A 600 -12.785 16.651 10.967 1.00 72.20 H new ATOM 0 HB3 GLU A 600 -12.315 15.193 11.818 1.00 72.20 H new ATOM 0 HG2 GLU A 600 -10.614 17.541 12.407 1.00 22.10 H new ATOM 0 HG3 GLU A 600 -12.292 17.732 12.876 1.00 22.10 H new ATOM 16 N SER A 601 -11.631 13.917 9.341 1.00 12.41 N ATOM 17 CA SER A 601 -11.626 12.505 8.979 1.00 54.52 C ATOM 18 C SER A 601 -12.280 12.292 7.617 1.00 65.13 C ATOM 19 O SER A 601 -11.599 12.046 6.622 1.00 53.32 O ATOM 20 CB SER A 601 -12.355 11.681 10.041 1.00 11.42 C ATOM 21 OG SER A 601 -11.441 10.921 10.813 1.00 1.35 O ATOM 0 H SER A 601 -12.393 14.455 8.929 1.00 12.41 H new ATOM 0 HA SER A 601 -10.589 12.174 8.922 1.00 54.52 H new ATOM 0 HB2 SER A 601 -12.923 12.344 10.693 1.00 11.42 H new ATOM 0 HB3 SER A 601 -13.072 11.015 9.560 1.00 11.42 H new ATOM 0 HG SER A 601 -11.932 10.404 11.486 1.00 1.35 H new ATOM 27 N GLU A 602 -13.606 12.387 7.582 1.00 3.32 N ATOM 28 CA GLU A 602 -14.352 12.203 6.343 1.00 25.13 C ATOM 29 C GLU A 602 -13.959 10.896 5.660 1.00 31.02 C ATOM 30 O GLU A 602 -13.913 10.815 4.433 1.00 12.11 O ATOM 31 CB GLU A 602 -14.108 13.380 5.396 1.00 40.30 C ATOM 32 CG GLU A 602 -14.754 14.676 5.856 1.00 62.14 C ATOM 33 CD GLU A 602 -13.813 15.538 6.674 1.00 3.32 C ATOM 34 OE1 GLU A 602 -12.833 16.057 6.099 1.00 42.31 O ATOM 35 OE2 GLU A 602 -14.056 15.695 7.889 1.00 64.23 O ATOM 0 H GLU A 602 -14.185 12.590 8.397 1.00 3.32 H new ATOM 0 HA GLU A 602 -15.413 12.158 6.590 1.00 25.13 H new ATOM 0 HB2 GLU A 602 -13.034 13.536 5.293 1.00 40.30 H new ATOM 0 HB3 GLU A 602 -14.489 13.125 4.407 1.00 40.30 H new ATOM 0 HG2 GLU A 602 -15.092 15.238 4.985 1.00 62.14 H new ATOM 0 HG3 GLU A 602 -15.639 14.446 6.450 1.00 62.14 H new ATOM 42 N GLU A 603 -13.678 9.876 6.464 1.00 13.11 N ATOM 43 CA GLU A 603 -13.288 8.574 5.938 1.00 73.35 C ATOM 44 C GLU A 603 -13.036 7.582 7.069 1.00 24.14 C ATOM 45 O GLU A 603 -12.147 6.736 6.979 1.00 33.43 O ATOM 46 CB GLU A 603 -12.034 8.704 5.070 1.00 53.24 C ATOM 47 CG GLU A 603 -12.120 7.940 3.759 1.00 5.32 C ATOM 48 CD GLU A 603 -11.162 8.473 2.711 1.00 62.52 C ATOM 49 OE1 GLU A 603 -11.258 9.671 2.375 1.00 43.11 O ATOM 50 OE2 GLU A 603 -10.316 7.691 2.227 1.00 15.13 O ATOM 0 H GLU A 603 -13.713 9.926 7.482 1.00 13.11 H new ATOM 0 HA GLU A 603 -14.108 8.199 5.326 1.00 73.35 H new ATOM 0 HB2 GLU A 603 -11.858 9.758 4.856 1.00 53.24 H new ATOM 0 HB3 GLU A 603 -11.173 8.345 5.634 1.00 53.24 H new ATOM 0 HG2 GLU A 603 -11.905 6.887 3.941 1.00 5.32 H new ATOM 0 HG3 GLU A 603 -13.139 7.995 3.376 1.00 5.32 H new ATOM 57 N GLU A 604 -13.823 7.695 8.134 1.00 13.53 N ATOM 58 CA GLU A 604 -13.684 6.810 9.285 1.00 42.43 C ATOM 59 C GLU A 604 -15.004 6.109 9.595 1.00 11.55 C ATOM 60 O GLU A 604 -15.027 4.924 9.924 1.00 70.02 O ATOM 61 CB GLU A 604 -13.212 7.598 10.508 1.00 10.33 C ATOM 62 CG GLU A 604 -11.946 7.042 11.139 1.00 13.23 C ATOM 63 CD GLU A 604 -10.785 6.985 10.165 1.00 41.33 C ATOM 64 OE1 GLU A 604 -10.795 7.760 9.185 1.00 24.13 O ATOM 65 OE2 GLU A 604 -9.868 6.167 10.383 1.00 5.33 O ATOM 0 H GLU A 604 -14.564 8.391 8.224 1.00 13.53 H new ATOM 0 HA GLU A 604 -12.939 6.052 9.041 1.00 42.43 H new ATOM 0 HB2 GLU A 604 -13.038 8.634 10.217 1.00 10.33 H new ATOM 0 HB3 GLU A 604 -14.007 7.605 11.254 1.00 10.33 H new ATOM 0 HG2 GLU A 604 -11.669 7.660 11.993 1.00 13.23 H new ATOM 0 HG3 GLU A 604 -12.144 6.041 11.521 1.00 13.23 H new ATOM 72 N ASP A 605 -16.100 6.852 9.489 1.00 14.44 N ATOM 73 CA ASP A 605 -17.424 6.304 9.758 1.00 0.01 C ATOM 74 C ASP A 605 -18.033 5.711 8.492 1.00 33.24 C ATOM 75 O ASP A 605 -18.743 4.705 8.544 1.00 41.51 O ATOM 76 CB ASP A 605 -18.344 7.389 10.322 1.00 11.11 C ATOM 77 CG ASP A 605 -19.693 6.842 10.743 1.00 35.33 C ATOM 78 OD1 ASP A 605 -20.547 6.624 9.858 1.00 14.10 O ATOM 79 OD2 ASP A 605 -19.896 6.633 11.958 1.00 33.30 O ATOM 0 H ASP A 605 -16.098 7.836 9.219 1.00 14.44 H new ATOM 0 HA ASP A 605 -17.318 5.509 10.496 1.00 0.01 H new ATOM 0 HB2 ASP A 605 -17.863 7.860 11.179 1.00 11.11 H new ATOM 0 HB3 ASP A 605 -18.488 8.166 9.571 1.00 11.11 H new ATOM 84 N LYS A 606 -17.753 6.338 7.356 1.00 40.44 N ATOM 85 CA LYS A 606 -18.273 5.873 6.076 1.00 41.33 C ATOM 86 C LYS A 606 -17.221 5.065 5.322 1.00 4.35 C ATOM 87 O LYS A 606 -17.322 4.875 4.110 1.00 64.24 O ATOM 88 CB LYS A 606 -18.725 7.061 5.223 1.00 20.03 C ATOM 89 CG LYS A 606 -20.166 7.474 5.472 1.00 61.43 C ATOM 90 CD LYS A 606 -20.264 8.929 5.895 1.00 41.43 C ATOM 91 CE LYS A 606 -21.707 9.340 6.150 1.00 24.23 C ATOM 92 NZ LYS A 606 -22.016 9.400 7.605 1.00 33.23 N ATOM 0 H LYS A 606 -17.168 7.171 7.295 1.00 40.44 H new ATOM 0 HA LYS A 606 -19.129 5.228 6.274 1.00 41.33 H new ATOM 0 HB2 LYS A 606 -18.072 7.911 5.423 1.00 20.03 H new ATOM 0 HB3 LYS A 606 -18.605 6.808 4.170 1.00 20.03 H new ATOM 0 HG2 LYS A 606 -20.752 7.317 4.566 1.00 61.43 H new ATOM 0 HG3 LYS A 606 -20.599 6.839 6.245 1.00 61.43 H new ATOM 0 HD2 LYS A 606 -19.675 9.087 6.798 1.00 41.43 H new ATOM 0 HD3 LYS A 606 -19.835 9.564 5.120 1.00 41.43 H new ATOM 0 HE2 LYS A 606 -21.892 10.315 5.699 1.00 24.23 H new ATOM 0 HE3 LYS A 606 -22.378 8.631 5.665 1.00 24.23 H new ATOM 0 HZ1 LYS A 606 -23.008 9.683 7.738 1.00 33.23 H new ATOM 0 HZ2 LYS A 606 -21.863 8.464 8.031 1.00 33.23 H new ATOM 0 HZ3 LYS A 606 -21.393 10.095 8.064 1.00 33.23 H new ATOM 106 N CYS A 607 -16.213 4.594 6.047 1.00 21.22 N ATOM 107 CA CYS A 607 -15.142 3.805 5.448 1.00 53.31 C ATOM 108 C CYS A 607 -15.710 2.648 4.633 1.00 3.02 C ATOM 109 O CYS A 607 -16.365 1.757 5.173 1.00 41.12 O ATOM 110 CB CYS A 607 -14.205 3.271 6.532 1.00 61.24 C ATOM 111 SG CYS A 607 -15.052 2.439 7.894 1.00 34.15 S ATOM 0 H CYS A 607 -16.115 4.745 7.051 1.00 21.22 H new ATOM 0 HA CYS A 607 -14.577 4.454 4.779 1.00 53.31 H new ATOM 0 HB2 CYS A 607 -13.500 2.575 6.077 1.00 61.24 H new ATOM 0 HB3 CYS A 607 -13.621 4.099 6.933 1.00 61.24 H new ATOM 0 HG CYS A 607 -15.177 3.260 8.894 1.00 34.15 H new ATOM 117 N LYS A 608 -15.456 2.669 3.329 1.00 64.23 N ATOM 118 CA LYS A 608 -15.941 1.622 2.438 1.00 41.42 C ATOM 119 C LYS A 608 -14.856 0.582 2.178 1.00 35.10 C ATOM 120 O LYS A 608 -13.660 0.867 2.249 1.00 34.12 O ATOM 121 CB LYS A 608 -16.409 2.229 1.112 1.00 32.32 C ATOM 122 CG LYS A 608 -17.262 3.475 1.281 1.00 73.41 C ATOM 123 CD LYS A 608 -18.567 3.164 1.995 1.00 11.30 C ATOM 124 CE LYS A 608 -19.609 4.244 1.745 1.00 33.32 C ATOM 125 NZ LYS A 608 -20.327 4.034 0.458 1.00 1.30 N ATOM 0 H LYS A 608 -14.917 3.400 2.866 1.00 64.23 H new ATOM 0 HA LYS A 608 -16.783 1.129 2.923 1.00 41.42 H new ATOM 0 HB2 LYS A 608 -15.537 2.475 0.507 1.00 32.32 H new ATOM 0 HB3 LYS A 608 -16.979 1.481 0.560 1.00 32.32 H new ATOM 0 HG2 LYS A 608 -16.706 4.224 1.846 1.00 73.41 H new ATOM 0 HG3 LYS A 608 -17.475 3.907 0.303 1.00 73.41 H new ATOM 0 HD2 LYS A 608 -18.949 2.202 1.654 1.00 11.30 H new ATOM 0 HD3 LYS A 608 -18.385 3.073 3.066 1.00 11.30 H new ATOM 0 HE2 LYS A 608 -20.328 4.252 2.565 1.00 33.32 H new ATOM 0 HE3 LYS A 608 -19.125 5.221 1.736 1.00 33.32 H new ATOM 0 HZ1 LYS A 608 -21.028 4.790 0.324 1.00 1.30 H new ATOM 0 HZ2 LYS A 608 -19.645 4.051 -0.327 1.00 1.30 H new ATOM 0 HZ3 LYS A 608 -20.810 3.113 0.476 1.00 1.30 H new ATOM 139 N PRO A 609 -15.280 -0.652 1.867 1.00 55.32 N ATOM 140 CA PRO A 609 -14.360 -1.758 1.587 1.00 21.13 C ATOM 141 C PRO A 609 -13.616 -1.575 0.269 1.00 40.43 C ATOM 142 O PRO A 609 -14.037 -0.801 -0.590 1.00 13.34 O ATOM 143 CB PRO A 609 -15.283 -2.977 1.516 1.00 24.51 C ATOM 144 CG PRO A 609 -16.612 -2.425 1.133 1.00 43.40 C ATOM 145 CD PRO A 609 -16.691 -1.062 1.762 1.00 24.11 C ATOM 0 HA PRO A 609 -13.580 -1.840 2.343 1.00 21.13 H new ATOM 0 HB2 PRO A 609 -14.928 -3.700 0.781 1.00 24.51 H new ATOM 0 HB3 PRO A 609 -15.330 -3.494 2.475 1.00 24.51 H new ATOM 0 HG2 PRO A 609 -16.710 -2.361 0.049 1.00 43.40 H new ATOM 0 HG3 PRO A 609 -17.418 -3.066 1.489 1.00 43.40 H new ATOM 0 HD2 PRO A 609 -17.266 -0.369 1.148 1.00 24.11 H new ATOM 0 HD3 PRO A 609 -17.173 -1.098 2.739 1.00 24.11 H new ATOM 153 N MET A 610 -12.508 -2.293 0.115 1.00 14.04 N ATOM 154 CA MET A 610 -11.707 -2.211 -1.101 1.00 13.11 C ATOM 155 C MET A 610 -11.452 -3.599 -1.679 1.00 13.50 C ATOM 156 O MET A 610 -10.669 -4.375 -1.133 1.00 22.22 O ATOM 157 CB MET A 610 -10.377 -1.513 -0.814 1.00 51.41 C ATOM 158 CG MET A 610 -10.535 -0.140 -0.180 1.00 65.15 C ATOM 159 SD MET A 610 -10.727 1.171 -1.404 1.00 2.34 S ATOM 160 CE MET A 610 -9.039 1.351 -1.974 1.00 40.54 C ATOM 0 H MET A 610 -12.145 -2.938 0.817 1.00 14.04 H new ATOM 0 HA MET A 610 -12.264 -1.629 -1.835 1.00 13.11 H new ATOM 0 HB2 MET A 610 -9.781 -2.143 -0.154 1.00 51.41 H new ATOM 0 HB3 MET A 610 -9.821 -1.412 -1.746 1.00 51.41 H new ATOM 0 HG2 MET A 610 -11.403 -0.146 0.480 1.00 65.15 H new ATOM 0 HG3 MET A 610 -9.664 0.072 0.441 1.00 65.15 H new ATOM 0 HE1 MET A 610 -8.879 2.372 -2.319 1.00 40.54 H new ATOM 0 HE2 MET A 610 -8.353 1.133 -1.155 1.00 40.54 H new ATOM 0 HE3 MET A 610 -8.856 0.658 -2.795 1.00 40.54 H new ATOM 170 N SER A 611 -12.120 -3.905 -2.788 1.00 5.43 N ATOM 171 CA SER A 611 -11.968 -5.201 -3.438 1.00 70.10 C ATOM 172 C SER A 611 -10.576 -5.344 -4.047 1.00 12.40 C ATOM 173 O SER A 611 -9.817 -4.377 -4.122 1.00 21.33 O ATOM 174 CB SER A 611 -13.033 -5.380 -4.521 1.00 42.02 C ATOM 175 OG SER A 611 -13.924 -6.430 -4.193 1.00 33.40 O ATOM 0 H SER A 611 -12.771 -3.273 -3.254 1.00 5.43 H new ATOM 0 HA SER A 611 -12.095 -5.976 -2.682 1.00 70.10 H new ATOM 0 HB2 SER A 611 -13.590 -4.451 -4.644 1.00 42.02 H new ATOM 0 HB3 SER A 611 -12.552 -5.592 -5.476 1.00 42.02 H new ATOM 0 HG SER A 611 -14.596 -6.522 -4.901 1.00 33.40 H new ATOM 181 N TYR A 612 -10.249 -6.556 -4.482 1.00 20.55 N ATOM 182 CA TYR A 612 -8.949 -6.828 -5.082 1.00 54.40 C ATOM 183 C TYR A 612 -8.808 -6.112 -6.422 1.00 23.13 C ATOM 184 O TYR A 612 -7.701 -5.794 -6.854 1.00 13.31 O ATOM 185 CB TYR A 612 -8.756 -8.333 -5.272 1.00 45.53 C ATOM 186 CG TYR A 612 -9.907 -9.006 -5.984 1.00 74.31 C ATOM 187 CD1 TYR A 612 -10.037 -8.928 -7.365 1.00 22.11 C ATOM 188 CD2 TYR A 612 -10.865 -9.721 -5.275 1.00 50.41 C ATOM 189 CE1 TYR A 612 -11.088 -9.541 -8.020 1.00 30.15 C ATOM 190 CE2 TYR A 612 -11.919 -10.338 -5.921 1.00 63.02 C ATOM 191 CZ TYR A 612 -12.026 -10.245 -7.293 1.00 54.32 C ATOM 192 OH TYR A 612 -13.073 -10.858 -7.942 1.00 35.23 O ATOM 0 H TYR A 612 -10.867 -7.366 -4.430 1.00 20.55 H new ATOM 0 HA TYR A 612 -8.180 -6.453 -4.407 1.00 54.40 H new ATOM 0 HB2 TYR A 612 -7.840 -8.505 -5.837 1.00 45.53 H new ATOM 0 HB3 TYR A 612 -8.621 -8.799 -4.296 1.00 45.53 H new ATOM 0 HD1 TYR A 612 -9.304 -8.379 -7.937 1.00 22.11 H new ATOM 0 HD2 TYR A 612 -10.784 -9.796 -4.201 1.00 50.41 H new ATOM 0 HE1 TYR A 612 -11.175 -9.470 -9.094 1.00 30.15 H new ATOM 0 HE2 TYR A 612 -12.655 -10.890 -5.355 1.00 63.02 H new ATOM 0 HH TYR A 612 -13.643 -11.312 -7.287 1.00 35.23 H new ATOM 202 N GLU A 613 -9.939 -5.862 -7.074 1.00 54.20 N ATOM 203 CA GLU A 613 -9.942 -5.185 -8.365 1.00 12.22 C ATOM 204 C GLU A 613 -9.296 -3.806 -8.258 1.00 34.10 C ATOM 205 O GLU A 613 -8.281 -3.534 -8.897 1.00 43.03 O ATOM 206 CB GLU A 613 -11.373 -5.050 -8.892 1.00 53.20 C ATOM 207 CG GLU A 613 -11.542 -5.532 -10.323 1.00 20.44 C ATOM 208 CD GLU A 613 -12.971 -5.933 -10.637 1.00 45.33 C ATOM 209 OE1 GLU A 613 -13.439 -6.947 -10.079 1.00 55.13 O ATOM 210 OE2 GLU A 613 -13.619 -5.232 -11.443 1.00 51.01 O ATOM 0 H GLU A 613 -10.864 -6.118 -6.729 1.00 54.20 H new ATOM 0 HA GLU A 613 -9.360 -5.787 -9.063 1.00 12.22 H new ATOM 0 HB2 GLU A 613 -12.044 -5.615 -8.245 1.00 53.20 H new ATOM 0 HB3 GLU A 613 -11.677 -4.005 -8.831 1.00 53.20 H new ATOM 0 HG2 GLU A 613 -11.231 -4.743 -11.008 1.00 20.44 H new ATOM 0 HG3 GLU A 613 -10.883 -6.383 -10.496 1.00 20.44 H new ATOM 217 N GLU A 614 -9.894 -2.940 -7.445 1.00 34.10 N ATOM 218 CA GLU A 614 -9.378 -1.590 -7.255 1.00 41.54 C ATOM 219 C GLU A 614 -7.990 -1.622 -6.622 1.00 2.13 C ATOM 220 O GLU A 614 -7.206 -0.684 -6.767 1.00 32.24 O ATOM 221 CB GLU A 614 -10.331 -0.774 -6.379 1.00 53.14 C ATOM 222 CG GLU A 614 -11.723 -0.627 -6.969 1.00 33.01 C ATOM 223 CD GLU A 614 -12.630 0.240 -6.115 1.00 43.24 C ATOM 224 OE1 GLU A 614 -12.967 -0.183 -4.990 1.00 62.34 O ATOM 225 OE2 GLU A 614 -13.002 1.341 -6.573 1.00 63.22 O ATOM 0 H GLU A 614 -10.736 -3.150 -6.908 1.00 34.10 H new ATOM 0 HA GLU A 614 -9.301 -1.117 -8.234 1.00 41.54 H new ATOM 0 HB2 GLU A 614 -10.408 -1.249 -5.401 1.00 53.14 H new ATOM 0 HB3 GLU A 614 -9.906 0.217 -6.220 1.00 53.14 H new ATOM 0 HG2 GLU A 614 -11.647 -0.194 -7.967 1.00 33.01 H new ATOM 0 HG3 GLU A 614 -12.172 -1.614 -7.083 1.00 33.01 H new ATOM 232 N LYS A 615 -7.692 -2.710 -5.918 1.00 13.23 N ATOM 233 CA LYS A 615 -6.400 -2.867 -5.262 1.00 43.04 C ATOM 234 C LYS A 615 -5.307 -3.176 -6.281 1.00 53.20 C ATOM 235 O LYS A 615 -4.250 -2.546 -6.282 1.00 3.44 O ATOM 236 CB LYS A 615 -6.467 -3.982 -4.217 1.00 10.13 C ATOM 237 CG LYS A 615 -7.162 -3.569 -2.931 1.00 53.02 C ATOM 238 CD LYS A 615 -6.364 -2.518 -2.178 1.00 42.11 C ATOM 239 CE LYS A 615 -7.163 -1.238 -1.993 1.00 15.11 C ATOM 240 NZ LYS A 615 -6.279 -0.050 -1.834 1.00 11.12 N ATOM 0 H LYS A 615 -8.329 -3.496 -5.788 1.00 13.23 H new ATOM 0 HA LYS A 615 -6.156 -1.927 -4.766 1.00 43.04 H new ATOM 0 HB2 LYS A 615 -6.990 -4.838 -4.644 1.00 10.13 H new ATOM 0 HB3 LYS A 615 -5.454 -4.311 -3.983 1.00 10.13 H new ATOM 0 HG2 LYS A 615 -8.153 -3.178 -3.161 1.00 53.02 H new ATOM 0 HG3 LYS A 615 -7.304 -4.444 -2.296 1.00 53.02 H new ATOM 0 HD2 LYS A 615 -6.072 -2.910 -1.204 1.00 42.11 H new ATOM 0 HD3 LYS A 615 -5.445 -2.299 -2.722 1.00 42.11 H new ATOM 0 HE2 LYS A 615 -7.818 -1.091 -2.852 1.00 15.11 H new ATOM 0 HE3 LYS A 615 -7.804 -1.334 -1.117 1.00 15.11 H new ATOM 0 HZ1 LYS A 615 -6.461 0.397 -0.913 1.00 11.12 H new ATOM 0 HZ2 LYS A 615 -5.284 -0.349 -1.884 1.00 11.12 H new ATOM 0 HZ3 LYS A 615 -6.474 0.632 -2.594 1.00 11.12 H new ATOM 254 N ARG A 616 -5.570 -4.149 -7.148 1.00 34.13 N ATOM 255 CA ARG A 616 -4.609 -4.541 -8.171 1.00 42.32 C ATOM 256 C ARG A 616 -4.114 -3.324 -8.946 1.00 42.42 C ATOM 257 O ARG A 616 -2.970 -3.288 -9.399 1.00 23.22 O ATOM 258 CB ARG A 616 -5.239 -5.550 -9.133 1.00 13.14 C ATOM 259 CG ARG A 616 -5.993 -4.905 -10.284 1.00 73.12 C ATOM 260 CD ARG A 616 -5.096 -4.704 -11.494 1.00 51.30 C ATOM 261 NE ARG A 616 -5.406 -5.642 -12.569 1.00 35.13 N ATOM 262 CZ ARG A 616 -4.665 -5.778 -13.663 1.00 72.32 C ATOM 263 NH1 ARG A 616 -3.576 -5.041 -13.826 1.00 4.10 N ATOM 264 NH2 ARG A 616 -5.013 -6.655 -14.597 1.00 2.34 N ATOM 0 H ARG A 616 -6.441 -4.680 -7.162 1.00 34.13 H new ATOM 0 HA ARG A 616 -3.757 -5.006 -7.675 1.00 42.32 H new ATOM 0 HB2 ARG A 616 -4.456 -6.192 -9.537 1.00 13.14 H new ATOM 0 HB3 ARG A 616 -5.922 -6.192 -8.577 1.00 13.14 H new ATOM 0 HG2 ARG A 616 -6.843 -5.530 -10.559 1.00 73.12 H new ATOM 0 HG3 ARG A 616 -6.395 -3.944 -9.964 1.00 73.12 H new ATOM 0 HD2 ARG A 616 -5.206 -3.684 -11.861 1.00 51.30 H new ATOM 0 HD3 ARG A 616 -4.054 -4.825 -11.197 1.00 51.30 H new ATOM 0 HE ARG A 616 -6.238 -6.225 -12.475 1.00 35.13 H new ATOM 0 HH11 ARG A 616 -3.305 -4.367 -13.110 1.00 4.10 H new ATOM 0 HH12 ARG A 616 -3.009 -5.148 -14.667 1.00 4.10 H new ATOM 0 HH21 ARG A 616 -5.850 -7.225 -14.475 1.00 2.34 H new ATOM 0 HH22 ARG A 616 -4.443 -6.759 -15.437 1.00 2.34 H new ATOM 278 N GLN A 617 -4.984 -2.330 -9.096 1.00 3.30 N ATOM 279 CA GLN A 617 -4.634 -1.112 -9.818 1.00 14.21 C ATOM 280 C GLN A 617 -3.719 -0.225 -8.980 1.00 31.54 C ATOM 281 O GLN A 617 -2.692 0.256 -9.460 1.00 75.14 O ATOM 282 CB GLN A 617 -5.899 -0.342 -10.203 1.00 2.34 C ATOM 283 CG GLN A 617 -5.657 1.138 -10.452 1.00 40.14 C ATOM 284 CD GLN A 617 -4.624 1.386 -11.533 1.00 22.21 C ATOM 285 OE1 GLN A 617 -4.296 0.491 -12.312 1.00 72.12 O ATOM 286 NE2 GLN A 617 -4.103 2.606 -11.586 1.00 12.32 N ATOM 0 H GLN A 617 -5.935 -2.344 -8.728 1.00 3.30 H new ATOM 0 HA GLN A 617 -4.100 -1.397 -10.725 1.00 14.21 H new ATOM 0 HB2 GLN A 617 -6.327 -0.788 -11.101 1.00 2.34 H new ATOM 0 HB3 GLN A 617 -6.638 -0.453 -9.409 1.00 2.34 H new ATOM 0 HG2 GLN A 617 -6.596 1.613 -10.736 1.00 40.14 H new ATOM 0 HG3 GLN A 617 -5.329 1.610 -9.526 1.00 40.14 H new ATOM 0 HE21 GLN A 617 -4.404 3.318 -10.921 1.00 12.32 H new ATOM 0 HE22 GLN A 617 -3.402 2.831 -12.292 1.00 12.32 H new ATOM 295 N LEU A 618 -4.099 -0.013 -7.724 1.00 25.10 N ATOM 296 CA LEU A 618 -3.311 0.816 -6.817 1.00 73.20 C ATOM 297 C LEU A 618 -1.889 0.283 -6.687 1.00 63.14 C ATOM 298 O LEU A 618 -0.928 1.052 -6.643 1.00 53.20 O ATOM 299 CB LEU A 618 -3.976 0.871 -5.440 1.00 3.30 C ATOM 300 CG LEU A 618 -3.029 0.959 -4.242 1.00 72.03 C ATOM 301 CD1 LEU A 618 -3.678 1.734 -3.105 1.00 64.34 C ATOM 302 CD2 LEU A 618 -2.625 -0.433 -3.779 1.00 50.12 C ATOM 0 H LEU A 618 -4.946 -0.403 -7.311 1.00 25.10 H new ATOM 0 HA LEU A 618 -3.264 1.823 -7.232 1.00 73.20 H new ATOM 0 HB2 LEU A 618 -4.643 1.733 -5.415 1.00 3.30 H new ATOM 0 HB3 LEU A 618 -4.597 -0.017 -5.323 1.00 3.30 H new ATOM 0 HG LEU A 618 -2.130 1.492 -4.551 1.00 72.03 H new ATOM 0 HD11 LEU A 618 -2.990 1.787 -2.261 1.00 64.34 H new ATOM 0 HD12 LEU A 618 -3.917 2.743 -3.442 1.00 64.34 H new ATOM 0 HD13 LEU A 618 -4.593 1.229 -2.796 1.00 64.34 H new ATOM 0 HD21 LEU A 618 -1.951 -0.351 -2.926 1.00 50.12 H new ATOM 0 HD22 LEU A 618 -3.514 -0.992 -3.487 1.00 50.12 H new ATOM 0 HD23 LEU A 618 -2.120 -0.954 -4.592 1.00 50.12 H new ATOM 314 N SER A 619 -1.760 -1.039 -6.630 1.00 12.21 N ATOM 315 CA SER A 619 -0.455 -1.675 -6.504 1.00 4.11 C ATOM 316 C SER A 619 0.449 -1.298 -7.674 1.00 2.43 C ATOM 317 O SER A 619 1.620 -0.965 -7.487 1.00 12.33 O ATOM 318 CB SER A 619 -0.609 -3.196 -6.434 1.00 41.04 C ATOM 319 OG SER A 619 -0.219 -3.804 -7.654 1.00 20.14 O ATOM 0 H SER A 619 -2.544 -1.690 -6.669 1.00 12.21 H new ATOM 0 HA SER A 619 0.006 -1.321 -5.582 1.00 4.11 H new ATOM 0 HB2 SER A 619 -0.003 -3.589 -5.618 1.00 41.04 H new ATOM 0 HB3 SER A 619 -1.646 -3.450 -6.212 1.00 41.04 H new ATOM 0 HG SER A 619 -0.957 -3.750 -8.297 1.00 20.14 H new ATOM 325 N LEU A 620 -0.103 -1.352 -8.880 1.00 50.25 N ATOM 326 CA LEU A 620 0.652 -1.015 -10.083 1.00 63.10 C ATOM 327 C LEU A 620 0.890 0.488 -10.173 1.00 53.32 C ATOM 328 O LEU A 620 2.019 0.938 -10.370 1.00 23.33 O ATOM 329 CB LEU A 620 -0.091 -1.501 -11.328 1.00 52.14 C ATOM 330 CG LEU A 620 0.506 -1.084 -12.672 1.00 12.50 C ATOM 331 CD1 LEU A 620 1.488 -2.133 -13.170 1.00 32.11 C ATOM 332 CD2 LEU A 620 -0.595 -0.852 -13.697 1.00 64.31 C ATOM 0 H LEU A 620 -1.070 -1.626 -9.052 1.00 50.25 H new ATOM 0 HA LEU A 620 1.619 -1.514 -10.027 1.00 63.10 H new ATOM 0 HB2 LEU A 620 -0.138 -2.590 -11.296 1.00 52.14 H new ATOM 0 HB3 LEU A 620 -1.117 -1.136 -11.280 1.00 52.14 H new ATOM 0 HG LEU A 620 1.047 -0.148 -12.531 1.00 12.50 H new ATOM 0 HD11 LEU A 620 1.902 -1.818 -14.128 1.00 32.11 H new ATOM 0 HD12 LEU A 620 2.295 -2.249 -12.446 1.00 32.11 H new ATOM 0 HD13 LEU A 620 0.972 -3.085 -13.293 1.00 32.11 H new ATOM 0 HD21 LEU A 620 -0.151 -0.556 -14.647 1.00 64.31 H new ATOM 0 HD22 LEU A 620 -1.165 -1.771 -13.833 1.00 64.31 H new ATOM 0 HD23 LEU A 620 -1.259 -0.062 -13.345 1.00 64.31 H new ATOM 344 N ASP A 621 -0.180 1.261 -10.028 1.00 13.40 N ATOM 345 CA ASP A 621 -0.088 2.715 -10.090 1.00 1.11 C ATOM 346 C ASP A 621 0.994 3.232 -9.147 1.00 30.21 C ATOM 347 O ASP A 621 1.872 3.994 -9.552 1.00 32.41 O ATOM 348 CB ASP A 621 -1.435 3.349 -9.737 1.00 60.30 C ATOM 349 CG ASP A 621 -1.690 4.630 -10.505 1.00 14.40 C ATOM 350 OD1 ASP A 621 -0.780 5.077 -11.234 1.00 12.44 O ATOM 351 OD2 ASP A 621 -2.802 5.187 -10.377 1.00 62.24 O ATOM 0 H ASP A 621 -1.122 0.905 -9.867 1.00 13.40 H new ATOM 0 HA ASP A 621 0.180 2.994 -11.109 1.00 1.11 H new ATOM 0 HB2 ASP A 621 -2.234 2.638 -9.947 1.00 60.30 H new ATOM 0 HB3 ASP A 621 -1.466 3.558 -8.668 1.00 60.30 H new ATOM 356 N ILE A 622 0.923 2.813 -7.887 1.00 52.35 N ATOM 357 CA ILE A 622 1.896 3.233 -6.887 1.00 0.53 C ATOM 358 C ILE A 622 3.276 2.659 -7.187 1.00 62.43 C ATOM 359 O ILE A 622 4.296 3.290 -6.914 1.00 12.33 O ATOM 360 CB ILE A 622 1.469 2.804 -5.471 1.00 42.21 C ATOM 361 CG1 ILE A 622 0.160 3.491 -5.079 1.00 72.42 C ATOM 362 CG2 ILE A 622 2.565 3.128 -4.466 1.00 62.14 C ATOM 363 CD1 ILE A 622 -0.322 3.128 -3.692 1.00 24.24 C ATOM 0 H ILE A 622 0.202 2.183 -7.535 1.00 52.35 H new ATOM 0 HA ILE A 622 1.942 4.321 -6.929 1.00 0.53 H new ATOM 0 HB ILE A 622 1.307 1.726 -5.468 1.00 42.21 H new ATOM 0 HG12 ILE A 622 0.295 4.571 -5.137 1.00 72.42 H new ATOM 0 HG13 ILE A 622 -0.611 3.227 -5.803 1.00 72.42 H new ATOM 0 HG21 ILE A 622 2.248 2.819 -3.470 1.00 62.14 H new ATOM 0 HG22 ILE A 622 3.477 2.596 -4.738 1.00 62.14 H new ATOM 0 HG23 ILE A 622 2.756 4.201 -4.469 1.00 62.14 H new ATOM 0 HD11 ILE A 622 -1.255 3.652 -3.482 1.00 24.24 H new ATOM 0 HD12 ILE A 622 -0.489 2.052 -3.635 1.00 24.24 H new ATOM 0 HD13 ILE A 622 0.430 3.418 -2.958 1.00 24.24 H new ATOM 375 N ASN A 623 3.300 1.455 -7.751 1.00 52.35 N ATOM 376 CA ASN A 623 4.554 0.795 -8.090 1.00 65.14 C ATOM 377 C ASN A 623 5.306 1.573 -9.166 1.00 72.25 C ATOM 378 O ASN A 623 6.535 1.646 -9.151 1.00 32.21 O ATOM 379 CB ASN A 623 4.290 -0.634 -8.570 1.00 31.52 C ATOM 380 CG ASN A 623 5.443 -1.197 -9.377 1.00 44.21 C ATOM 381 OD1 ASN A 623 5.250 -1.728 -10.470 1.00 75.21 O ATOM 382 ND2 ASN A 623 6.652 -1.081 -8.841 1.00 21.14 N ATOM 0 H ASN A 623 2.465 0.917 -7.982 1.00 52.35 H new ATOM 0 HA ASN A 623 5.171 0.762 -7.192 1.00 65.14 H new ATOM 0 HB2 ASN A 623 4.107 -1.275 -7.708 1.00 31.52 H new ATOM 0 HB3 ASN A 623 3.385 -0.649 -9.177 1.00 31.52 H new ATOM 0 HD21 ASN A 623 7.467 -1.440 -9.339 1.00 21.14 H new ATOM 0 HD22 ASN A 623 6.766 -0.633 -7.932 1.00 21.14 H new ATOM 389 N LYS A 624 4.560 2.153 -10.099 1.00 15.51 N ATOM 390 CA LYS A 624 5.153 2.929 -11.183 1.00 21.44 C ATOM 391 C LYS A 624 5.672 4.269 -10.672 1.00 33.13 C ATOM 392 O LYS A 624 6.622 4.828 -11.221 1.00 5.53 O ATOM 393 CB LYS A 624 4.127 3.158 -12.295 1.00 31.44 C ATOM 394 CG LYS A 624 4.700 3.859 -13.514 1.00 71.24 C ATOM 395 CD LYS A 624 3.603 4.460 -14.377 1.00 54.13 C ATOM 396 CE LYS A 624 4.140 4.910 -15.727 1.00 14.21 C ATOM 397 NZ LYS A 624 3.298 5.981 -16.330 1.00 53.31 N ATOM 0 H LYS A 624 3.542 2.101 -10.127 1.00 15.51 H new ATOM 0 HA LYS A 624 5.994 2.363 -11.584 1.00 21.44 H new ATOM 0 HB2 LYS A 624 3.713 2.197 -12.600 1.00 31.44 H new ATOM 0 HB3 LYS A 624 3.301 3.750 -11.900 1.00 31.44 H new ATOM 0 HG2 LYS A 624 5.385 4.645 -13.195 1.00 71.24 H new ATOM 0 HG3 LYS A 624 5.281 3.150 -14.104 1.00 71.24 H new ATOM 0 HD2 LYS A 624 2.812 3.725 -14.526 1.00 54.13 H new ATOM 0 HD3 LYS A 624 3.156 5.309 -13.860 1.00 54.13 H new ATOM 0 HE2 LYS A 624 5.161 5.274 -15.609 1.00 14.21 H new ATOM 0 HE3 LYS A 624 4.182 4.057 -16.404 1.00 14.21 H new ATOM 0 HZ1 LYS A 624 3.697 6.260 -17.249 1.00 53.31 H new ATOM 0 HZ2 LYS A 624 2.330 5.626 -16.466 1.00 53.31 H new ATOM 0 HZ3 LYS A 624 3.278 6.805 -15.696 1.00 53.31 H new ATOM 411 N LEU A 625 5.044 4.778 -9.617 1.00 24.33 N ATOM 412 CA LEU A 625 5.444 6.052 -9.030 1.00 64.10 C ATOM 413 C LEU A 625 6.875 5.985 -8.504 1.00 33.42 C ATOM 414 O LEU A 625 7.421 4.910 -8.255 1.00 74.22 O ATOM 415 CB LEU A 625 4.490 6.437 -7.899 1.00 14.15 C ATOM 416 CG LEU A 625 3.170 7.081 -8.324 1.00 34.32 C ATOM 417 CD1 LEU A 625 2.286 7.336 -7.113 1.00 35.45 C ATOM 418 CD2 LEU A 625 3.426 8.375 -9.081 1.00 41.12 C ATOM 0 H LEU A 625 4.256 4.328 -9.151 1.00 24.33 H new ATOM 0 HA LEU A 625 5.399 6.813 -9.809 1.00 64.10 H new ATOM 0 HB2 LEU A 625 4.264 5.541 -7.320 1.00 14.15 H new ATOM 0 HB3 LEU A 625 5.009 7.125 -7.232 1.00 14.15 H new ATOM 0 HG LEU A 625 2.650 6.392 -8.989 1.00 34.32 H new ATOM 0 HD11 LEU A 625 1.351 7.795 -7.435 1.00 35.45 H new ATOM 0 HD12 LEU A 625 2.073 6.391 -6.612 1.00 35.45 H new ATOM 0 HD13 LEU A 625 2.799 8.005 -6.422 1.00 35.45 H new ATOM 0 HD21 LEU A 625 2.475 8.819 -9.375 1.00 41.12 H new ATOM 0 HD22 LEU A 625 3.968 9.070 -8.440 1.00 41.12 H new ATOM 0 HD23 LEU A 625 4.019 8.165 -9.971 1.00 41.12 H new ATOM 430 N PRO A 626 7.497 7.160 -8.329 1.00 13.04 N ATOM 431 CA PRO A 626 8.870 7.261 -7.827 1.00 1.04 C ATOM 432 C PRO A 626 8.982 6.870 -6.357 1.00 11.51 C ATOM 433 O PRO A 626 7.979 6.793 -5.648 1.00 4.44 O ATOM 434 CB PRO A 626 9.208 8.742 -8.014 1.00 13.42 C ATOM 435 CG PRO A 626 7.890 9.437 -7.989 1.00 44.34 C ATOM 436 CD PRO A 626 6.907 8.481 -8.605 1.00 33.44 C ATOM 0 HA PRO A 626 9.546 6.586 -8.352 1.00 1.04 H new ATOM 0 HB2 PRO A 626 9.861 9.103 -7.219 1.00 13.42 H new ATOM 0 HB3 PRO A 626 9.728 8.914 -8.956 1.00 13.42 H new ATOM 0 HG2 PRO A 626 7.601 9.690 -6.969 1.00 44.34 H new ATOM 0 HG3 PRO A 626 7.930 10.371 -8.550 1.00 44.34 H new ATOM 0 HD2 PRO A 626 5.917 8.580 -8.160 1.00 33.44 H new ATOM 0 HD3 PRO A 626 6.794 8.655 -9.675 1.00 33.44 H new ATOM 444 N GLY A 627 10.208 6.626 -5.905 1.00 62.52 N ATOM 445 CA GLY A 627 10.426 6.246 -4.522 1.00 1.24 C ATOM 446 C GLY A 627 9.754 7.194 -3.547 1.00 43.03 C ATOM 447 O GLY A 627 9.186 6.762 -2.545 1.00 23.40 O ATOM 0 H GLY A 627 11.054 6.685 -6.472 1.00 62.52 H new ATOM 0 HA2 GLY A 627 10.047 5.236 -4.362 1.00 1.24 H new ATOM 0 HA3 GLY A 627 11.497 6.221 -4.320 1.00 1.24 H new ATOM 451 N GLU A 628 9.820 8.488 -3.842 1.00 61.15 N ATOM 452 CA GLU A 628 9.214 9.498 -2.983 1.00 64.03 C ATOM 453 C GLU A 628 7.773 9.131 -2.645 1.00 54.30 C ATOM 454 O GLU A 628 7.315 9.334 -1.520 1.00 25.12 O ATOM 455 CB GLU A 628 9.258 10.870 -3.661 1.00 73.51 C ATOM 456 CG GLU A 628 8.503 11.948 -2.902 1.00 22.22 C ATOM 457 CD GLU A 628 9.304 13.227 -2.753 1.00 64.35 C ATOM 458 OE1 GLU A 628 10.111 13.528 -3.659 1.00 44.31 O ATOM 459 OE2 GLU A 628 9.126 13.925 -1.734 1.00 70.41 O ATOM 0 H GLU A 628 10.287 8.861 -4.669 1.00 61.15 H new ATOM 0 HA GLU A 628 9.786 9.541 -2.056 1.00 64.03 H new ATOM 0 HB2 GLU A 628 10.298 11.177 -3.774 1.00 73.51 H new ATOM 0 HB3 GLU A 628 8.841 10.784 -4.664 1.00 73.51 H new ATOM 0 HG2 GLU A 628 7.570 12.167 -3.421 1.00 22.22 H new ATOM 0 HG3 GLU A 628 8.238 11.573 -1.914 1.00 22.22 H new ATOM 466 N LYS A 629 7.059 8.591 -3.627 1.00 21.41 N ATOM 467 CA LYS A 629 5.670 8.194 -3.436 1.00 52.41 C ATOM 468 C LYS A 629 5.573 6.957 -2.550 1.00 4.35 C ATOM 469 O LYS A 629 4.669 6.843 -1.721 1.00 64.05 O ATOM 470 CB LYS A 629 5.006 7.919 -4.787 1.00 73.32 C ATOM 471 CG LYS A 629 4.405 9.155 -5.433 1.00 43.32 C ATOM 472 CD LYS A 629 3.055 9.502 -4.826 1.00 65.22 C ATOM 473 CE LYS A 629 3.148 10.719 -3.919 1.00 74.42 C ATOM 474 NZ LYS A 629 2.171 10.650 -2.797 1.00 72.03 N ATOM 0 H LYS A 629 7.421 8.418 -4.565 1.00 21.41 H new ATOM 0 HA LYS A 629 5.150 9.014 -2.942 1.00 52.41 H new ATOM 0 HB2 LYS A 629 5.744 7.488 -5.464 1.00 73.32 H new ATOM 0 HB3 LYS A 629 4.223 7.173 -4.652 1.00 73.32 H new ATOM 0 HG2 LYS A 629 5.086 9.997 -5.312 1.00 43.32 H new ATOM 0 HG3 LYS A 629 4.291 8.988 -6.504 1.00 43.32 H new ATOM 0 HD2 LYS A 629 2.336 9.694 -5.622 1.00 65.22 H new ATOM 0 HD3 LYS A 629 2.681 8.651 -4.257 1.00 65.22 H new ATOM 0 HE2 LYS A 629 4.158 10.796 -3.517 1.00 74.42 H new ATOM 0 HE3 LYS A 629 2.968 11.622 -4.503 1.00 74.42 H new ATOM 0 HZ1 LYS A 629 2.266 11.497 -2.202 1.00 72.03 H new ATOM 0 HZ2 LYS A 629 1.205 10.602 -3.180 1.00 72.03 H new ATOM 0 HZ3 LYS A 629 2.359 9.802 -2.225 1.00 72.03 H new ATOM 488 N LEU A 630 6.512 6.033 -2.727 1.00 3.52 N ATOM 489 CA LEU A 630 6.534 4.804 -1.942 1.00 41.00 C ATOM 490 C LEU A 630 6.663 5.112 -0.453 1.00 72.02 C ATOM 491 O LEU A 630 5.751 4.842 0.327 1.00 33.52 O ATOM 492 CB LEU A 630 7.690 3.909 -2.390 1.00 44.15 C ATOM 493 CG LEU A 630 7.341 2.446 -2.659 1.00 72.32 C ATOM 494 CD1 LEU A 630 7.654 2.078 -4.102 1.00 3.12 C ATOM 495 CD2 LEU A 630 8.092 1.533 -1.700 1.00 60.15 C ATOM 0 H LEU A 630 7.268 6.112 -3.407 1.00 3.52 H new ATOM 0 HA LEU A 630 5.592 4.280 -2.107 1.00 41.00 H new ATOM 0 HB2 LEU A 630 8.120 4.332 -3.298 1.00 44.15 H new ATOM 0 HB3 LEU A 630 8.466 3.942 -1.625 1.00 44.15 H new ATOM 0 HG LEU A 630 6.272 2.312 -2.495 1.00 72.32 H new ATOM 0 HD11 LEU A 630 7.399 1.032 -4.274 1.00 3.12 H new ATOM 0 HD12 LEU A 630 7.071 2.709 -4.773 1.00 3.12 H new ATOM 0 HD13 LEU A 630 8.716 2.229 -4.294 1.00 3.12 H new ATOM 0 HD21 LEU A 630 7.831 0.495 -1.906 1.00 60.15 H new ATOM 0 HD22 LEU A 630 9.165 1.670 -1.832 1.00 60.15 H new ATOM 0 HD23 LEU A 630 7.818 1.779 -0.674 1.00 60.15 H new ATOM 507 N GLY A 631 7.801 5.680 -0.068 1.00 0.15 N ATOM 508 CA GLY A 631 8.028 6.018 1.326 1.00 75.55 C ATOM 509 C GLY A 631 6.818 6.668 1.969 1.00 60.22 C ATOM 510 O GLY A 631 6.542 6.451 3.149 1.00 70.34 O ATOM 0 H GLY A 631 8.570 5.913 -0.696 1.00 0.15 H new ATOM 0 HA2 GLY A 631 8.288 5.115 1.878 1.00 75.55 H new ATOM 0 HA3 GLY A 631 8.881 6.693 1.399 1.00 75.55 H new ATOM 514 N ARG A 632 6.097 7.470 1.191 1.00 23.15 N ATOM 515 CA ARG A 632 4.912 8.156 1.693 1.00 3.23 C ATOM 516 C ARG A 632 3.750 7.183 1.861 1.00 54.11 C ATOM 517 O ARG A 632 3.118 7.129 2.916 1.00 12.21 O ATOM 518 CB ARG A 632 4.513 9.287 0.744 1.00 14.44 C ATOM 519 CG ARG A 632 4.944 10.665 1.221 1.00 30.22 C ATOM 520 CD ARG A 632 4.908 11.682 0.093 1.00 53.24 C ATOM 521 NE ARG A 632 4.532 13.012 0.565 1.00 72.32 N ATOM 522 CZ ARG A 632 4.656 14.114 -0.165 1.00 54.34 C ATOM 523 NH1 ARG A 632 5.142 14.046 -1.396 1.00 64.04 N ATOM 524 NH2 ARG A 632 4.290 15.287 0.335 1.00 43.45 N ATOM 0 H ARG A 632 6.312 7.660 0.212 1.00 23.15 H new ATOM 0 HA ARG A 632 5.152 8.577 2.669 1.00 3.23 H new ATOM 0 HB2 ARG A 632 4.950 9.098 -0.236 1.00 14.44 H new ATOM 0 HB3 ARG A 632 3.430 9.278 0.617 1.00 14.44 H new ATOM 0 HG2 ARG A 632 4.289 10.993 2.029 1.00 30.22 H new ATOM 0 HG3 ARG A 632 5.953 10.610 1.631 1.00 30.22 H new ATOM 0 HD2 ARG A 632 5.888 11.730 -0.383 1.00 53.24 H new ATOM 0 HD3 ARG A 632 4.200 11.354 -0.668 1.00 53.24 H new ATOM 0 HE ARG A 632 4.153 13.099 1.508 1.00 72.32 H new ATOM 0 HH11 ARG A 632 5.422 13.145 -1.785 1.00 64.04 H new ATOM 0 HH12 ARG A 632 5.236 14.894 -1.955 1.00 64.04 H new ATOM 0 HH21 ARG A 632 3.913 15.343 1.281 1.00 43.45 H new ATOM 0 HH22 ARG A 632 4.386 16.133 -0.227 1.00 43.45 H new ATOM 538 N VAL A 633 3.471 6.416 0.812 1.00 65.52 N ATOM 539 CA VAL A 633 2.385 5.444 0.842 1.00 32.33 C ATOM 540 C VAL A 633 2.701 4.296 1.794 1.00 23.21 C ATOM 541 O VAL A 633 1.963 4.043 2.746 1.00 72.40 O ATOM 542 CB VAL A 633 2.105 4.871 -0.560 1.00 1.10 C ATOM 543 CG1 VAL A 633 0.893 3.952 -0.529 1.00 41.23 C ATOM 544 CG2 VAL A 633 1.907 5.996 -1.564 1.00 75.53 C ATOM 0 H VAL A 633 3.983 6.449 -0.070 1.00 65.52 H new ATOM 0 HA VAL A 633 1.499 5.971 1.194 1.00 32.33 H new ATOM 0 HB VAL A 633 2.968 4.283 -0.873 1.00 1.10 H new ATOM 0 HG11 VAL A 633 0.710 3.557 -1.528 1.00 41.23 H new ATOM 0 HG12 VAL A 633 1.079 3.127 0.159 1.00 41.23 H new ATOM 0 HG13 VAL A 633 0.020 4.513 -0.196 1.00 41.23 H new ATOM 0 HG21 VAL A 633 1.710 5.574 -2.549 1.00 75.53 H new ATOM 0 HG22 VAL A 633 1.062 6.612 -1.258 1.00 75.53 H new ATOM 0 HG23 VAL A 633 2.807 6.609 -1.605 1.00 75.53 H new ATOM 554 N VAL A 634 3.804 3.603 1.532 1.00 44.23 N ATOM 555 CA VAL A 634 4.221 2.482 2.365 1.00 30.30 C ATOM 556 C VAL A 634 4.152 2.843 3.845 1.00 22.54 C ATOM 557 O VAL A 634 3.884 1.990 4.692 1.00 54.31 O ATOM 558 CB VAL A 634 5.653 2.029 2.024 1.00 34.34 C ATOM 559 CG1 VAL A 634 5.777 1.722 0.539 1.00 14.30 C ATOM 560 CG2 VAL A 634 6.661 3.088 2.444 1.00 32.33 C ATOM 0 H VAL A 634 4.426 3.799 0.748 1.00 44.23 H new ATOM 0 HA VAL A 634 3.532 1.663 2.161 1.00 30.30 H new ATOM 0 HB VAL A 634 5.868 1.115 2.578 1.00 34.34 H new ATOM 0 HG11 VAL A 634 6.796 1.404 0.317 1.00 14.30 H new ATOM 0 HG12 VAL A 634 5.082 0.926 0.273 1.00 14.30 H new ATOM 0 HG13 VAL A 634 5.543 2.616 -0.038 1.00 14.30 H new ATOM 0 HG21 VAL A 634 7.667 2.751 2.196 1.00 32.33 H new ATOM 0 HG22 VAL A 634 6.450 4.020 1.919 1.00 32.33 H new ATOM 0 HG23 VAL A 634 6.589 3.253 3.519 1.00 32.33 H new ATOM 570 N HIS A 635 4.397 4.113 4.150 1.00 30.14 N ATOM 571 CA HIS A 635 4.363 4.589 5.529 1.00 23.21 C ATOM 572 C HIS A 635 2.943 4.540 6.085 1.00 50.32 C ATOM 573 O HIS A 635 2.726 4.129 7.225 1.00 2.12 O ATOM 574 CB HIS A 635 4.908 6.014 5.613 1.00 13.31 C ATOM 575 CG HIS A 635 4.774 6.628 6.972 1.00 3.35 C ATOM 576 ND1 HIS A 635 4.667 7.988 7.178 1.00 70.41 N ATOM 577 CD2 HIS A 635 4.728 6.059 8.200 1.00 72.21 C ATOM 578 CE1 HIS A 635 4.563 8.228 8.472 1.00 31.11 C ATOM 579 NE2 HIS A 635 4.597 7.075 9.114 1.00 32.34 N ATOM 0 H HIS A 635 4.621 4.831 3.461 1.00 30.14 H new ATOM 0 HA HIS A 635 4.992 3.933 6.130 1.00 23.21 H new ATOM 0 HB2 HIS A 635 5.960 6.009 5.328 1.00 13.31 H new ATOM 0 HB3 HIS A 635 4.384 6.638 4.888 1.00 13.31 H new ATOM 0 HD2 HIS A 635 4.784 5.003 8.419 1.00 72.21 H new ATOM 0 HE1 HIS A 635 4.466 9.202 8.928 1.00 31.11 H new ATOM 0 HE2 HIS A 635 4.536 6.958 10.125 1.00 32.34 H new ATOM 587 N ILE A 636 1.981 4.965 5.273 1.00 73.53 N ATOM 588 CA ILE A 636 0.582 4.970 5.684 1.00 74.32 C ATOM 589 C ILE A 636 0.149 3.593 6.176 1.00 33.24 C ATOM 590 O ILE A 636 -0.419 3.462 7.261 1.00 21.42 O ATOM 591 CB ILE A 636 -0.342 5.403 4.532 1.00 40.24 C ATOM 592 CG1 ILE A 636 0.221 6.644 3.837 1.00 52.43 C ATOM 593 CG2 ILE A 636 -1.746 5.673 5.051 1.00 75.12 C ATOM 594 CD1 ILE A 636 -0.784 7.352 2.954 1.00 10.31 C ATOM 0 H ILE A 636 2.144 5.310 4.327 1.00 73.53 H new ATOM 0 HA ILE A 636 0.496 5.689 6.498 1.00 74.32 H new ATOM 0 HB ILE A 636 -0.394 4.593 3.804 1.00 40.24 H new ATOM 0 HG12 ILE A 636 0.583 7.341 4.593 1.00 52.43 H new ATOM 0 HG13 ILE A 636 1.081 6.354 3.234 1.00 52.43 H new ATOM 0 HG21 ILE A 636 -2.387 5.978 4.224 1.00 75.12 H new ATOM 0 HG22 ILE A 636 -2.146 4.767 5.505 1.00 75.12 H new ATOM 0 HG23 ILE A 636 -1.712 6.468 5.796 1.00 75.12 H new ATOM 0 HD11 ILE A 636 -0.315 8.222 2.494 1.00 10.31 H new ATOM 0 HD12 ILE A 636 -1.128 6.671 2.175 1.00 10.31 H new ATOM 0 HD13 ILE A 636 -1.634 7.674 3.556 1.00 10.31 H new ATOM 606 N ILE A 637 0.423 2.570 5.374 1.00 31.30 N ATOM 607 CA ILE A 637 0.065 1.203 5.730 1.00 20.33 C ATOM 608 C ILE A 637 0.556 0.853 7.131 1.00 21.31 C ATOM 609 O ILE A 637 -0.242 0.641 8.044 1.00 13.10 O ATOM 610 CB ILE A 637 0.645 0.189 4.726 1.00 31.33 C ATOM 611 CG1 ILE A 637 -0.055 0.322 3.372 1.00 44.01 C ATOM 612 CG2 ILE A 637 0.506 -1.227 5.264 1.00 22.23 C ATOM 613 CD1 ILE A 637 0.594 1.334 2.453 1.00 23.43 C ATOM 0 H ILE A 637 0.892 2.662 4.473 1.00 31.30 H new ATOM 0 HA ILE A 637 -1.023 1.145 5.704 1.00 20.33 H new ATOM 0 HB ILE A 637 1.705 0.402 4.588 1.00 31.33 H new ATOM 0 HG12 ILE A 637 -0.064 -0.650 2.880 1.00 44.01 H new ATOM 0 HG13 ILE A 637 -1.094 0.606 3.536 1.00 44.01 H new ATOM 0 HG21 ILE A 637 0.920 -1.932 4.544 1.00 22.23 H new ATOM 0 HG22 ILE A 637 1.046 -1.313 6.207 1.00 22.23 H new ATOM 0 HG23 ILE A 637 -0.548 -1.452 5.427 1.00 22.23 H new ATOM 0 HD11 ILE A 637 0.045 1.375 1.512 1.00 23.43 H new ATOM 0 HD12 ILE A 637 0.579 2.316 2.925 1.00 23.43 H new ATOM 0 HD13 ILE A 637 1.626 1.040 2.259 1.00 23.43 H new ATOM 625 N GLN A 638 1.873 0.795 7.292 1.00 24.11 N ATOM 626 CA GLN A 638 2.472 0.471 8.582 1.00 34.21 C ATOM 627 C GLN A 638 1.916 1.372 9.680 1.00 12.13 C ATOM 628 O GLN A 638 1.890 0.995 10.852 1.00 55.11 O ATOM 629 CB GLN A 638 3.993 0.611 8.513 1.00 41.22 C ATOM 630 CG GLN A 638 4.456 1.956 7.976 1.00 2.11 C ATOM 631 CD GLN A 638 5.958 2.138 8.076 1.00 22.32 C ATOM 632 OE1 GLN A 638 6.511 2.241 9.172 1.00 41.23 O ATOM 633 NE2 GLN A 638 6.628 2.177 6.930 1.00 35.12 N ATOM 0 H GLN A 638 2.547 0.968 6.546 1.00 24.11 H new ATOM 0 HA GLN A 638 2.221 -0.562 8.821 1.00 34.21 H new ATOM 0 HB2 GLN A 638 4.409 0.464 9.510 1.00 41.22 H new ATOM 0 HB3 GLN A 638 4.394 -0.181 7.881 1.00 41.22 H new ATOM 0 HG2 GLN A 638 4.151 2.052 6.934 1.00 2.11 H new ATOM 0 HG3 GLN A 638 3.959 2.754 8.528 1.00 2.11 H new ATOM 0 HE21 GLN A 638 6.130 2.088 6.045 1.00 35.12 H new ATOM 0 HE22 GLN A 638 7.641 2.296 6.935 1.00 35.12 H new ATOM 642 N SER A 639 1.472 2.564 9.294 1.00 24.24 N ATOM 643 CA SER A 639 0.921 3.520 10.247 1.00 42.55 C ATOM 644 C SER A 639 -0.370 2.991 10.863 1.00 44.01 C ATOM 645 O SER A 639 -0.679 3.273 12.021 1.00 63.24 O ATOM 646 CB SER A 639 0.659 4.862 9.560 1.00 1.14 C ATOM 647 OG SER A 639 -0.715 5.205 9.618 1.00 24.31 O ATOM 0 H SER A 639 1.483 2.891 8.328 1.00 24.24 H new ATOM 0 HA SER A 639 1.651 3.663 11.044 1.00 42.55 H new ATOM 0 HB2 SER A 639 1.252 5.641 10.039 1.00 1.14 H new ATOM 0 HB3 SER A 639 0.981 4.811 8.520 1.00 1.14 H new ATOM 0 HG SER A 639 -1.190 4.781 8.873 1.00 24.31 H new ATOM 653 N ARG A 640 -1.119 2.222 10.080 1.00 74.53 N ATOM 654 CA ARG A 640 -2.378 1.653 10.547 1.00 71.04 C ATOM 655 C ARG A 640 -2.359 0.131 10.440 1.00 35.45 C ATOM 656 O ARG A 640 -3.405 -0.516 10.481 1.00 52.32 O ATOM 657 CB ARG A 640 -3.548 2.217 9.739 1.00 30.02 C ATOM 658 CG ARG A 640 -4.133 3.493 10.324 1.00 65.23 C ATOM 659 CD ARG A 640 -4.295 4.569 9.262 1.00 75.12 C ATOM 660 NE ARG A 640 -4.211 5.913 9.827 1.00 71.04 N ATOM 661 CZ ARG A 640 -5.183 6.474 10.536 1.00 13.24 C ATOM 662 NH1 ARG A 640 -6.308 5.811 10.768 1.00 24.11 N ATOM 663 NH2 ARG A 640 -5.031 7.702 11.017 1.00 50.12 N ATOM 0 H ARG A 640 -0.876 1.978 9.120 1.00 74.53 H new ATOM 0 HA ARG A 640 -2.504 1.925 11.595 1.00 71.04 H new ATOM 0 HB2 ARG A 640 -3.214 2.414 8.720 1.00 30.02 H new ATOM 0 HB3 ARG A 640 -4.333 1.463 9.677 1.00 30.02 H new ATOM 0 HG2 ARG A 640 -5.101 3.277 10.775 1.00 65.23 H new ATOM 0 HG3 ARG A 640 -3.485 3.860 11.120 1.00 65.23 H new ATOM 0 HD2 ARG A 640 -3.524 4.447 8.502 1.00 75.12 H new ATOM 0 HD3 ARG A 640 -5.256 4.445 8.764 1.00 75.12 H new ATOM 0 HE ARG A 640 -3.359 6.450 9.668 1.00 71.04 H new ATOM 0 HH11 ARG A 640 -6.428 4.867 10.401 1.00 24.11 H new ATOM 0 HH12 ARG A 640 -7.053 6.245 11.313 1.00 24.11 H new ATOM 0 HH21 ARG A 640 -4.167 8.215 10.842 1.00 50.12 H new ATOM 0 HH22 ARG A 640 -5.778 8.132 11.562 1.00 50.12 H new ATOM 677 N GLU A 641 -1.163 -0.434 10.303 1.00 53.30 N ATOM 678 CA GLU A 641 -1.010 -1.879 10.188 1.00 52.12 C ATOM 679 C GLU A 641 -0.636 -2.495 11.533 1.00 0.40 C ATOM 680 O GLU A 641 0.434 -2.235 12.087 1.00 75.11 O ATOM 681 CB GLU A 641 0.055 -2.220 9.145 1.00 52.05 C ATOM 682 CG GLU A 641 0.037 -3.675 8.709 1.00 24.50 C ATOM 683 CD GLU A 641 1.021 -3.963 7.592 1.00 25.22 C ATOM 684 OE1 GLU A 641 1.869 -3.091 7.311 1.00 2.11 O ATOM 685 OE2 GLU A 641 0.944 -5.060 7.001 1.00 63.34 O ATOM 0 H GLU A 641 -0.287 0.087 10.269 1.00 53.30 H new ATOM 0 HA GLU A 641 -1.966 -2.296 9.870 1.00 52.12 H new ATOM 0 HB2 GLU A 641 -0.089 -1.586 8.270 1.00 52.05 H new ATOM 0 HB3 GLU A 641 1.038 -1.984 9.552 1.00 52.05 H new ATOM 0 HG2 GLU A 641 0.269 -4.309 9.565 1.00 24.50 H new ATOM 0 HG3 GLU A 641 -0.968 -3.939 8.380 1.00 24.50 H new ATOM 692 N PRO A 642 -1.536 -3.329 12.073 1.00 34.14 N ATOM 693 CA PRO A 642 -1.323 -3.999 13.360 1.00 54.52 C ATOM 694 C PRO A 642 -0.236 -5.064 13.285 1.00 4.12 C ATOM 695 O PRO A 642 0.512 -5.270 14.241 1.00 12.15 O ATOM 696 CB PRO A 642 -2.682 -4.641 13.654 1.00 22.21 C ATOM 697 CG PRO A 642 -3.309 -4.830 12.316 1.00 24.15 C ATOM 698 CD PRO A 642 -2.831 -3.683 11.468 1.00 33.04 C ATOM 0 HA PRO A 642 -0.988 -3.305 14.131 1.00 54.52 H new ATOM 0 HB2 PRO A 642 -2.566 -5.592 14.175 1.00 22.21 H new ATOM 0 HB3 PRO A 642 -3.293 -4.001 14.291 1.00 22.21 H new ATOM 0 HG2 PRO A 642 -3.017 -5.786 11.880 1.00 24.15 H new ATOM 0 HG3 PRO A 642 -4.396 -4.833 12.392 1.00 24.15 H new ATOM 0 HD2 PRO A 642 -2.720 -3.974 10.423 1.00 33.04 H new ATOM 0 HD3 PRO A 642 -3.529 -2.846 11.494 1.00 33.04 H new ATOM 706 N SER A 643 -0.151 -5.739 12.144 1.00 62.54 N ATOM 707 CA SER A 643 0.844 -6.786 11.946 1.00 62.44 C ATOM 708 C SER A 643 2.244 -6.190 11.827 1.00 3.01 C ATOM 709 O SER A 643 3.234 -6.822 12.199 1.00 52.55 O ATOM 710 CB SER A 643 0.517 -7.600 10.692 1.00 25.35 C ATOM 711 OG SER A 643 1.425 -8.676 10.532 1.00 65.32 O ATOM 0 H SER A 643 -0.760 -5.579 11.341 1.00 62.54 H new ATOM 0 HA SER A 643 0.820 -7.444 12.815 1.00 62.44 H new ATOM 0 HB2 SER A 643 -0.500 -7.985 10.760 1.00 25.35 H new ATOM 0 HB3 SER A 643 0.555 -6.954 9.815 1.00 25.35 H new ATOM 0 HG SER A 643 1.194 -9.182 9.725 1.00 65.32 H new ATOM 717 N LEU A 644 2.318 -4.969 11.308 1.00 62.55 N ATOM 718 CA LEU A 644 3.596 -4.286 11.140 1.00 50.31 C ATOM 719 C LEU A 644 4.093 -3.727 12.469 1.00 21.43 C ATOM 720 O LEU A 644 4.265 -2.517 12.621 1.00 35.55 O ATOM 721 CB LEU A 644 3.462 -3.157 10.117 1.00 62.12 C ATOM 722 CG LEU A 644 4.714 -2.842 9.298 1.00 42.14 C ATOM 723 CD1 LEU A 644 5.848 -2.395 10.206 1.00 4.34 C ATOM 724 CD2 LEU A 644 5.132 -4.052 8.475 1.00 42.33 C ATOM 0 H LEU A 644 1.509 -4.432 10.997 1.00 62.55 H new ATOM 0 HA LEU A 644 4.324 -5.012 10.778 1.00 50.31 H new ATOM 0 HB2 LEU A 644 2.656 -3.411 9.428 1.00 62.12 H new ATOM 0 HB3 LEU A 644 3.158 -2.252 10.643 1.00 62.12 H new ATOM 0 HG LEU A 644 4.481 -2.026 8.614 1.00 42.14 H new ATOM 0 HD11 LEU A 644 6.730 -2.175 9.605 1.00 4.34 H new ATOM 0 HD12 LEU A 644 5.547 -1.499 10.750 1.00 4.34 H new ATOM 0 HD13 LEU A 644 6.081 -3.189 10.915 1.00 4.34 H new ATOM 0 HD21 LEU A 644 6.025 -3.809 7.899 1.00 42.33 H new ATOM 0 HD22 LEU A 644 5.346 -4.888 9.140 1.00 42.33 H new ATOM 0 HD23 LEU A 644 4.325 -4.326 7.796 1.00 42.33 H new ATOM 736 N LYS A 645 4.325 -4.616 13.429 1.00 42.51 N ATOM 737 CA LYS A 645 4.807 -4.213 14.745 1.00 31.23 C ATOM 738 C LYS A 645 6.328 -4.305 14.820 1.00 55.24 C ATOM 739 O LYS A 645 6.887 -4.666 15.854 1.00 14.11 O ATOM 740 CB LYS A 645 4.179 -5.090 15.831 1.00 62.20 C ATOM 741 CG LYS A 645 4.047 -4.394 17.174 1.00 22.24 C ATOM 742 CD LYS A 645 3.777 -5.386 18.292 1.00 22.43 C ATOM 743 CE LYS A 645 4.221 -4.840 19.641 1.00 31.40 C ATOM 744 NZ LYS A 645 5.344 -5.631 20.217 1.00 10.13 N ATOM 0 H LYS A 645 4.187 -5.621 13.320 1.00 42.51 H new ATOM 0 HA LYS A 645 4.515 -3.176 14.909 1.00 31.23 H new ATOM 0 HB2 LYS A 645 3.192 -5.413 15.500 1.00 62.20 H new ATOM 0 HB3 LYS A 645 4.783 -5.989 15.955 1.00 62.20 H new ATOM 0 HG2 LYS A 645 4.961 -3.841 17.390 1.00 22.24 H new ATOM 0 HG3 LYS A 645 3.237 -3.666 17.129 1.00 22.24 H new ATOM 0 HD2 LYS A 645 2.712 -5.618 18.325 1.00 22.43 H new ATOM 0 HD3 LYS A 645 4.301 -6.320 18.086 1.00 22.43 H new ATOM 0 HE2 LYS A 645 4.529 -3.801 19.529 1.00 31.40 H new ATOM 0 HE3 LYS A 645 3.378 -4.850 20.332 1.00 31.40 H new ATOM 0 HZ1 LYS A 645 5.617 -5.227 21.136 1.00 10.13 H new ATOM 0 HZ2 LYS A 645 5.042 -6.618 20.348 1.00 10.13 H new ATOM 0 HZ3 LYS A 645 6.158 -5.601 19.570 1.00 10.13 H new ATOM 758 N ASN A 646 6.991 -3.974 13.716 1.00 72.52 N ATOM 759 CA ASN A 646 8.447 -4.020 13.657 1.00 2.21 C ATOM 760 C ASN A 646 9.036 -2.612 13.674 1.00 11.53 C ATOM 761 O ASN A 646 8.474 -1.686 13.089 1.00 61.24 O ATOM 762 CB ASN A 646 8.906 -4.760 12.399 1.00 74.22 C ATOM 763 CG ASN A 646 7.994 -5.921 12.048 1.00 4.21 C ATOM 764 OD1 ASN A 646 6.885 -5.725 11.551 1.00 75.41 O ATOM 765 ND2 ASN A 646 8.460 -7.137 12.305 1.00 20.11 N ATOM 0 H ASN A 646 6.543 -3.671 12.851 1.00 72.52 H new ATOM 0 HA ASN A 646 8.804 -4.557 14.536 1.00 2.21 H new ATOM 0 HB2 ASN A 646 8.941 -4.062 11.562 1.00 74.22 H new ATOM 0 HB3 ASN A 646 9.920 -5.130 12.548 1.00 74.22 H new ATOM 0 HD21 ASN A 646 7.892 -7.957 12.090 1.00 20.11 H new ATOM 0 HD22 ASN A 646 9.386 -7.252 12.718 1.00 20.11 H new ATOM 772 N SER A 647 10.170 -2.459 14.349 1.00 23.14 N ATOM 773 CA SER A 647 10.834 -1.164 14.446 1.00 13.43 C ATOM 774 C SER A 647 11.792 -0.956 13.278 1.00 41.21 C ATOM 775 O SER A 647 12.556 0.008 13.252 1.00 42.54 O ATOM 776 CB SER A 647 11.593 -1.053 15.769 1.00 23.45 C ATOM 777 OG SER A 647 12.924 -1.523 15.634 1.00 15.42 O ATOM 0 H SER A 647 10.649 -3.216 14.837 1.00 23.14 H new ATOM 0 HA SER A 647 10.069 -0.388 14.409 1.00 13.43 H new ATOM 0 HB2 SER A 647 11.602 -0.015 16.101 1.00 23.45 H new ATOM 0 HB3 SER A 647 11.077 -1.628 16.538 1.00 23.45 H new ATOM 0 HG SER A 647 13.389 -1.440 16.493 1.00 15.42 H new ATOM 783 N ASN A 648 11.744 -1.868 12.312 1.00 21.14 N ATOM 784 CA ASN A 648 12.609 -1.786 11.141 1.00 61.33 C ATOM 785 C ASN A 648 11.824 -1.322 9.917 1.00 33.44 C ATOM 786 O ASN A 648 11.153 -2.107 9.245 1.00 50.41 O ATOM 787 CB ASN A 648 13.254 -3.144 10.861 1.00 60.45 C ATOM 788 CG ASN A 648 14.019 -3.163 9.551 1.00 30.23 C ATOM 789 OD1 ASN A 648 15.218 -2.887 9.516 1.00 54.00 O ATOM 790 ND2 ASN A 648 13.326 -3.490 8.467 1.00 52.24 N ATOM 0 H ASN A 648 11.116 -2.672 12.317 1.00 21.14 H new ATOM 0 HA ASN A 648 13.391 -1.056 11.349 1.00 61.33 H new ATOM 0 HB2 ASN A 648 13.931 -3.397 11.677 1.00 60.45 H new ATOM 0 HB3 ASN A 648 12.481 -3.912 10.838 1.00 60.45 H new ATOM 0 HD21 ASN A 648 13.786 -3.520 7.557 1.00 52.24 H new ATOM 0 HD22 ASN A 648 12.333 -3.711 8.544 1.00 52.24 H new ATOM 797 N PRO A 649 11.909 -0.017 9.619 1.00 31.44 N ATOM 798 CA PRO A 649 11.214 0.581 8.475 1.00 21.43 C ATOM 799 C PRO A 649 11.806 0.138 7.141 1.00 23.23 C ATOM 800 O PRO A 649 11.232 0.391 6.082 1.00 11.41 O ATOM 801 CB PRO A 649 11.422 2.084 8.680 1.00 62.32 C ATOM 802 CG PRO A 649 12.671 2.187 9.486 1.00 73.42 C ATOM 803 CD PRO A 649 12.690 0.975 10.376 1.00 32.34 C ATOM 0 HA PRO A 649 10.166 0.284 8.433 1.00 21.43 H new ATOM 0 HB2 PRO A 649 11.522 2.603 7.727 1.00 62.32 H new ATOM 0 HB3 PRO A 649 10.576 2.533 9.201 1.00 62.32 H new ATOM 0 HG2 PRO A 649 13.550 2.212 8.842 1.00 73.42 H new ATOM 0 HG3 PRO A 649 12.681 3.104 10.075 1.00 73.42 H new ATOM 0 HD2 PRO A 649 13.707 0.629 10.562 1.00 32.34 H new ATOM 0 HD3 PRO A 649 12.242 1.183 11.347 1.00 32.34 H new ATOM 811 N ASP A 650 12.955 -0.526 7.201 1.00 62.13 N ATOM 812 CA ASP A 650 13.625 -1.006 5.997 1.00 13.42 C ATOM 813 C ASP A 650 12.949 -2.266 5.466 1.00 54.11 C ATOM 814 O ASP A 650 13.357 -2.816 4.444 1.00 22.04 O ATOM 815 CB ASP A 650 15.100 -1.285 6.286 1.00 70.54 C ATOM 816 CG ASP A 650 15.805 -1.943 5.115 1.00 33.12 C ATOM 817 OD1 ASP A 650 16.340 -1.210 4.259 1.00 41.42 O ATOM 818 OD2 ASP A 650 15.818 -3.190 5.055 1.00 62.22 O ATOM 0 H ASP A 650 13.442 -0.744 8.070 1.00 62.13 H new ATOM 0 HA ASP A 650 13.554 -0.229 5.236 1.00 13.42 H new ATOM 0 HB2 ASP A 650 15.603 -0.349 6.530 1.00 70.54 H new ATOM 0 HB3 ASP A 650 15.180 -1.928 7.163 1.00 70.54 H new ATOM 823 N GLU A 651 11.914 -2.717 6.168 1.00 54.14 N ATOM 824 CA GLU A 651 11.183 -3.913 5.766 1.00 22.43 C ATOM 825 C GLU A 651 9.698 -3.777 6.088 1.00 61.53 C ATOM 826 O GLU A 651 9.310 -3.681 7.252 1.00 12.33 O ATOM 827 CB GLU A 651 11.756 -5.147 6.468 1.00 23.54 C ATOM 828 CG GLU A 651 11.208 -6.460 5.935 1.00 32.04 C ATOM 829 CD GLU A 651 10.371 -7.200 6.960 1.00 32.43 C ATOM 830 OE1 GLU A 651 10.883 -7.462 8.068 1.00 31.13 O ATOM 831 OE2 GLU A 651 9.203 -7.519 6.654 1.00 70.52 O ATOM 0 H GLU A 651 11.563 -2.273 7.017 1.00 54.14 H new ATOM 0 HA GLU A 651 11.295 -4.031 4.688 1.00 22.43 H new ATOM 0 HB2 GLU A 651 12.841 -5.145 6.360 1.00 23.54 H new ATOM 0 HB3 GLU A 651 11.542 -5.080 7.535 1.00 23.54 H new ATOM 0 HG2 GLU A 651 10.603 -6.264 5.050 1.00 32.04 H new ATOM 0 HG3 GLU A 651 12.037 -7.095 5.621 1.00 32.04 H new ATOM 838 N ILE A 652 8.872 -3.769 5.046 1.00 24.11 N ATOM 839 CA ILE A 652 7.430 -3.645 5.216 1.00 11.21 C ATOM 840 C ILE A 652 6.690 -4.725 4.435 1.00 73.23 C ATOM 841 O ILE A 652 7.078 -5.076 3.322 1.00 41.15 O ATOM 842 CB ILE A 652 6.926 -2.263 4.763 1.00 43.14 C ATOM 843 CG1 ILE A 652 6.040 -1.639 5.842 1.00 1.24 C ATOM 844 CG2 ILE A 652 6.167 -2.381 3.449 1.00 1.10 C ATOM 845 CD1 ILE A 652 5.258 -0.436 5.361 1.00 32.21 C ATOM 0 H ILE A 652 9.177 -3.847 4.076 1.00 24.11 H new ATOM 0 HA ILE A 652 7.226 -3.765 6.280 1.00 11.21 H new ATOM 0 HB ILE A 652 7.787 -1.613 4.606 1.00 43.14 H new ATOM 0 HG12 ILE A 652 5.343 -2.392 6.209 1.00 1.24 H new ATOM 0 HG13 ILE A 652 6.663 -1.343 6.686 1.00 1.24 H new ATOM 0 HG21 ILE A 652 5.817 -1.396 3.141 1.00 1.10 H new ATOM 0 HG22 ILE A 652 6.827 -2.787 2.683 1.00 1.10 H new ATOM 0 HG23 ILE A 652 5.313 -3.045 3.581 1.00 1.10 H new ATOM 0 HD11 ILE A 652 4.652 -0.045 6.178 1.00 32.21 H new ATOM 0 HD12 ILE A 652 5.949 0.335 5.021 1.00 32.21 H new ATOM 0 HD13 ILE A 652 4.609 -0.730 4.536 1.00 32.21 H new ATOM 857 N GLU A 653 5.619 -5.247 5.026 1.00 0.50 N ATOM 858 CA GLU A 653 4.823 -6.286 4.384 1.00 34.22 C ATOM 859 C GLU A 653 3.371 -5.842 4.228 1.00 3.02 C ATOM 860 O GLU A 653 2.577 -5.941 5.164 1.00 50.43 O ATOM 861 CB GLU A 653 4.887 -7.582 5.195 1.00 32.21 C ATOM 862 CG GLU A 653 4.484 -8.815 4.405 1.00 30.44 C ATOM 863 CD GLU A 653 4.109 -9.984 5.297 1.00 55.34 C ATOM 864 OE1 GLU A 653 2.943 -10.037 5.744 1.00 63.12 O ATOM 865 OE2 GLU A 653 4.979 -10.842 5.547 1.00 33.40 O ATOM 0 H GLU A 653 5.283 -4.967 5.948 1.00 0.50 H new ATOM 0 HA GLU A 653 5.238 -6.465 3.392 1.00 34.22 H new ATOM 0 HB2 GLU A 653 5.902 -7.717 5.569 1.00 32.21 H new ATOM 0 HB3 GLU A 653 4.236 -7.489 6.064 1.00 32.21 H new ATOM 0 HG2 GLU A 653 3.640 -8.569 3.761 1.00 30.44 H new ATOM 0 HG3 GLU A 653 5.307 -9.109 3.754 1.00 30.44 H new ATOM 872 N ILE A 654 3.034 -5.351 3.040 1.00 34.51 N ATOM 873 CA ILE A 654 1.679 -4.893 2.761 1.00 3.21 C ATOM 874 C ILE A 654 0.787 -6.048 2.319 1.00 5.22 C ATOM 875 O ILE A 654 0.950 -6.588 1.224 1.00 70.20 O ATOM 876 CB ILE A 654 1.667 -3.804 1.671 1.00 30.14 C ATOM 877 CG1 ILE A 654 2.819 -2.821 1.889 1.00 70.32 C ATOM 878 CG2 ILE A 654 0.332 -3.072 1.669 1.00 65.41 C ATOM 879 CD1 ILE A 654 2.722 -2.054 3.189 1.00 15.35 C ATOM 0 H ILE A 654 3.680 -5.260 2.256 1.00 34.51 H new ATOM 0 HA ILE A 654 1.291 -4.473 3.689 1.00 3.21 H new ATOM 0 HB ILE A 654 1.800 -4.281 0.700 1.00 30.14 H new ATOM 0 HG12 ILE A 654 3.761 -3.368 1.869 1.00 70.32 H new ATOM 0 HG13 ILE A 654 2.844 -2.113 1.060 1.00 70.32 H new ATOM 0 HG21 ILE A 654 0.338 -2.306 0.894 1.00 65.41 H new ATOM 0 HG22 ILE A 654 -0.472 -3.781 1.471 1.00 65.41 H new ATOM 0 HG23 ILE A 654 0.172 -2.604 2.640 1.00 65.41 H new ATOM 0 HD11 ILE A 654 3.572 -1.377 3.276 1.00 15.35 H new ATOM 0 HD12 ILE A 654 1.796 -1.479 3.204 1.00 15.35 H new ATOM 0 HD13 ILE A 654 2.728 -2.753 4.025 1.00 15.35 H new ATOM 891 N ASP A 655 -0.156 -6.421 3.176 1.00 20.22 N ATOM 892 CA ASP A 655 -1.077 -7.511 2.874 1.00 62.44 C ATOM 893 C ASP A 655 -2.523 -7.071 3.074 1.00 74.44 C ATOM 894 O ASP A 655 -3.004 -6.975 4.204 1.00 61.42 O ATOM 895 CB ASP A 655 -0.773 -8.723 3.755 1.00 21.11 C ATOM 896 CG ASP A 655 -1.457 -9.984 3.262 1.00 4.44 C ATOM 897 OD1 ASP A 655 -2.383 -9.870 2.433 1.00 0.52 O ATOM 898 OD2 ASP A 655 -1.065 -11.084 3.706 1.00 3.12 O ATOM 0 H ASP A 655 -0.303 -5.985 4.086 1.00 20.22 H new ATOM 0 HA ASP A 655 -0.942 -7.789 1.829 1.00 62.44 H new ATOM 0 HB2 ASP A 655 0.304 -8.886 3.785 1.00 21.11 H new ATOM 0 HB3 ASP A 655 -1.093 -8.515 4.776 1.00 21.11 H new ATOM 903 N PHE A 656 -3.214 -6.804 1.971 1.00 61.34 N ATOM 904 CA PHE A 656 -4.606 -6.372 2.024 1.00 23.24 C ATOM 905 C PHE A 656 -5.483 -7.444 2.666 1.00 43.15 C ATOM 906 O PHE A 656 -6.521 -7.140 3.253 1.00 62.31 O ATOM 907 CB PHE A 656 -5.117 -6.053 0.618 1.00 14.33 C ATOM 908 CG PHE A 656 -4.305 -5.007 -0.091 1.00 14.10 C ATOM 909 CD1 PHE A 656 -3.552 -4.091 0.625 1.00 15.21 C ATOM 910 CD2 PHE A 656 -4.296 -4.940 -1.476 1.00 22.24 C ATOM 911 CE1 PHE A 656 -2.803 -3.128 -0.025 1.00 53.40 C ATOM 912 CE2 PHE A 656 -3.549 -3.979 -2.130 1.00 62.14 C ATOM 913 CZ PHE A 656 -2.803 -3.072 -1.404 1.00 42.41 C ATOM 0 H PHE A 656 -2.832 -6.879 1.028 1.00 61.34 H new ATOM 0 HA PHE A 656 -4.658 -5.471 2.635 1.00 23.24 H new ATOM 0 HB2 PHE A 656 -5.117 -6.967 0.024 1.00 14.33 H new ATOM 0 HB3 PHE A 656 -6.152 -5.716 0.684 1.00 14.33 H new ATOM 0 HD1 PHE A 656 -3.550 -4.130 1.704 1.00 15.21 H new ATOM 0 HD2 PHE A 656 -4.879 -5.646 -2.049 1.00 22.24 H new ATOM 0 HE1 PHE A 656 -2.219 -2.421 0.545 1.00 53.40 H new ATOM 0 HE2 PHE A 656 -3.549 -3.937 -3.209 1.00 62.14 H new ATOM 0 HZ PHE A 656 -2.220 -2.320 -1.915 1.00 42.41 H new ATOM 923 N GLU A 657 -5.057 -8.697 2.546 1.00 34.31 N ATOM 924 CA GLU A 657 -5.805 -9.814 3.112 1.00 34.23 C ATOM 925 C GLU A 657 -6.130 -9.562 4.582 1.00 53.00 C ATOM 926 O GLU A 657 -7.147 -10.031 5.095 1.00 63.45 O ATOM 927 CB GLU A 657 -5.010 -11.114 2.972 1.00 41.43 C ATOM 928 CG GLU A 657 -5.841 -12.364 3.201 1.00 71.32 C ATOM 929 CD GLU A 657 -5.034 -13.638 3.045 1.00 73.23 C ATOM 930 OE1 GLU A 657 -4.327 -13.772 2.025 1.00 73.03 O ATOM 931 OE2 GLU A 657 -5.109 -14.502 3.944 1.00 2.23 O ATOM 0 H GLU A 657 -4.199 -8.964 2.063 1.00 34.31 H new ATOM 0 HA GLU A 657 -6.740 -9.907 2.560 1.00 34.23 H new ATOM 0 HB2 GLU A 657 -4.573 -11.157 1.975 1.00 41.43 H new ATOM 0 HB3 GLU A 657 -4.183 -11.103 3.682 1.00 41.43 H new ATOM 0 HG2 GLU A 657 -6.271 -12.331 4.202 1.00 71.32 H new ATOM 0 HG3 GLU A 657 -6.673 -12.377 2.497 1.00 71.32 H new ATOM 938 N THR A 658 -5.261 -8.816 5.255 1.00 3.31 N ATOM 939 CA THR A 658 -5.453 -8.501 6.666 1.00 42.05 C ATOM 940 C THR A 658 -5.614 -7.000 6.876 1.00 22.05 C ATOM 941 O THR A 658 -6.243 -6.562 7.841 1.00 71.31 O ATOM 942 CB THR A 658 -4.275 -9.005 7.519 1.00 45.04 C ATOM 943 OG1 THR A 658 -4.531 -8.754 8.905 1.00 55.00 O ATOM 944 CG2 THR A 658 -2.977 -8.324 7.107 1.00 33.22 C ATOM 0 H THR A 658 -4.416 -8.418 4.846 1.00 3.31 H new ATOM 0 HA THR A 658 -6.364 -9.009 6.983 1.00 42.05 H new ATOM 0 HB THR A 658 -4.172 -10.078 7.357 1.00 45.04 H new ATOM 0 HG1 THR A 658 -3.778 -9.079 9.441 1.00 55.00 H new ATOM 0 HG21 THR A 658 -2.159 -8.696 7.724 1.00 33.22 H new ATOM 0 HG22 THR A 658 -2.769 -8.541 6.059 1.00 33.22 H new ATOM 0 HG23 THR A 658 -3.072 -7.247 7.243 1.00 33.22 H new ATOM 952 N LEU A 659 -5.042 -6.215 5.970 1.00 14.52 N ATOM 953 CA LEU A 659 -5.123 -4.760 6.057 1.00 64.43 C ATOM 954 C LEU A 659 -6.576 -4.296 6.085 1.00 64.40 C ATOM 955 O LEU A 659 -7.466 -4.979 5.580 1.00 34.40 O ATOM 956 CB LEU A 659 -4.393 -4.118 4.876 1.00 73.22 C ATOM 957 CG LEU A 659 -3.334 -3.074 5.230 1.00 55.54 C ATOM 958 CD1 LEU A 659 -3.983 -1.843 5.844 1.00 12.33 C ATOM 959 CD2 LEU A 659 -2.299 -3.662 6.177 1.00 30.00 C ATOM 0 H LEU A 659 -4.517 -6.561 5.167 1.00 14.52 H new ATOM 0 HA LEU A 659 -4.644 -4.449 6.985 1.00 64.43 H new ATOM 0 HB2 LEU A 659 -3.916 -4.908 4.296 1.00 73.22 H new ATOM 0 HB3 LEU A 659 -5.134 -3.650 4.228 1.00 73.22 H new ATOM 0 HG LEU A 659 -2.827 -2.774 4.313 1.00 55.54 H new ATOM 0 HD11 LEU A 659 -3.214 -1.111 6.090 1.00 12.33 H new ATOM 0 HD12 LEU A 659 -4.684 -1.408 5.132 1.00 12.33 H new ATOM 0 HD13 LEU A 659 -4.516 -2.127 6.751 1.00 12.33 H new ATOM 0 HD21 LEU A 659 -1.554 -2.904 6.417 1.00 30.00 H new ATOM 0 HD22 LEU A 659 -2.790 -3.992 7.093 1.00 30.00 H new ATOM 0 HD23 LEU A 659 -1.811 -4.512 5.700 1.00 30.00 H new ATOM 971 N LYS A 660 -6.807 -3.130 6.677 1.00 5.11 N ATOM 972 CA LYS A 660 -8.150 -2.571 6.769 1.00 14.10 C ATOM 973 C LYS A 660 -8.472 -1.725 5.542 1.00 75.12 C ATOM 974 O LYS A 660 -7.585 -1.289 4.808 1.00 0.52 O ATOM 975 CB LYS A 660 -8.287 -1.724 8.036 1.00 52.32 C ATOM 976 CG LYS A 660 -8.842 -2.491 9.224 1.00 1.43 C ATOM 977 CD LYS A 660 -9.308 -1.553 10.325 1.00 44.15 C ATOM 978 CE LYS A 660 -8.545 -1.792 11.619 1.00 13.13 C ATOM 979 NZ LYS A 660 -9.426 -1.662 12.814 1.00 61.24 N ATOM 0 H LYS A 660 -6.081 -2.553 7.101 1.00 5.11 H new ATOM 0 HA LYS A 660 -8.858 -3.398 6.814 1.00 14.10 H new ATOM 0 HB2 LYS A 660 -7.310 -1.320 8.300 1.00 52.32 H new ATOM 0 HB3 LYS A 660 -8.937 -0.875 7.827 1.00 52.32 H new ATOM 0 HG2 LYS A 660 -9.675 -3.114 8.899 1.00 1.43 H new ATOM 0 HG3 LYS A 660 -8.077 -3.161 9.615 1.00 1.43 H new ATOM 0 HD2 LYS A 660 -9.172 -0.520 10.006 1.00 44.15 H new ATOM 0 HD3 LYS A 660 -10.375 -1.695 10.498 1.00 44.15 H new ATOM 0 HE2 LYS A 660 -8.102 -2.788 11.601 1.00 13.13 H new ATOM 0 HE3 LYS A 660 -7.724 -1.079 11.694 1.00 13.13 H new ATOM 0 HZ1 LYS A 660 -8.869 -1.832 13.676 1.00 61.24 H new ATOM 0 HZ2 LYS A 660 -9.829 -0.704 12.846 1.00 61.24 H new ATOM 0 HZ3 LYS A 660 -10.195 -2.359 12.756 1.00 61.24 H new ATOM 993 N PRO A 661 -9.772 -1.486 5.311 1.00 75.33 N ATOM 994 CA PRO A 661 -10.241 -0.688 4.173 1.00 31.31 C ATOM 995 C PRO A 661 -9.894 0.789 4.320 1.00 33.32 C ATOM 996 O PRO A 661 -9.600 1.468 3.336 1.00 71.13 O ATOM 997 CB PRO A 661 -11.759 -0.888 4.202 1.00 2.24 C ATOM 998 CG PRO A 661 -12.071 -1.213 5.622 1.00 21.23 C ATOM 999 CD PRO A 661 -10.884 -1.975 6.143 1.00 72.34 C ATOM 0 HA PRO A 661 -9.775 -0.997 3.237 1.00 31.31 H new ATOM 0 HB2 PRO A 661 -12.283 0.011 3.877 1.00 2.24 H new ATOM 0 HB3 PRO A 661 -12.065 -1.694 3.535 1.00 2.24 H new ATOM 0 HG2 PRO A 661 -12.238 -0.306 6.202 1.00 21.23 H new ATOM 0 HG3 PRO A 661 -12.980 -1.810 5.695 1.00 21.23 H new ATOM 0 HD2 PRO A 661 -10.712 -1.776 7.201 1.00 72.34 H new ATOM 0 HD3 PRO A 661 -11.020 -3.051 6.039 1.00 72.34 H new ATOM 1007 N SER A 662 -9.930 1.282 5.554 1.00 71.11 N ATOM 1008 CA SER A 662 -9.623 2.681 5.829 1.00 74.34 C ATOM 1009 C SER A 662 -8.248 3.052 5.281 1.00 30.40 C ATOM 1010 O SER A 662 -8.092 4.061 4.594 1.00 2.52 O ATOM 1011 CB SER A 662 -9.676 2.951 7.333 1.00 22.11 C ATOM 1012 OG SER A 662 -10.804 3.741 7.670 1.00 24.52 O ATOM 0 H SER A 662 -10.169 0.733 6.380 1.00 71.11 H new ATOM 0 HA SER A 662 -10.372 3.297 5.331 1.00 74.34 H new ATOM 0 HB2 SER A 662 -9.715 2.006 7.874 1.00 22.11 H new ATOM 0 HB3 SER A 662 -8.765 3.460 7.647 1.00 22.11 H new ATOM 0 HG SER A 662 -10.816 3.898 8.637 1.00 24.52 H new ATOM 1018 N THR A 663 -7.252 2.228 5.592 1.00 32.10 N ATOM 1019 CA THR A 663 -5.890 2.468 5.134 1.00 13.44 C ATOM 1020 C THR A 663 -5.775 2.275 3.627 1.00 64.21 C ATOM 1021 O THR A 663 -5.206 3.113 2.924 1.00 34.13 O ATOM 1022 CB THR A 663 -4.887 1.535 5.839 1.00 54.34 C ATOM 1023 OG1 THR A 663 -5.067 1.605 7.258 1.00 52.13 O ATOM 1024 CG2 THR A 663 -3.456 1.913 5.485 1.00 32.33 C ATOM 0 H THR A 663 -7.364 1.388 6.160 1.00 32.10 H new ATOM 0 HA THR A 663 -5.650 3.501 5.384 1.00 13.44 H new ATOM 0 HB THR A 663 -5.072 0.516 5.500 1.00 54.34 H new ATOM 0 HG1 THR A 663 -4.825 0.745 7.661 1.00 52.13 H new ATOM 0 HG21 THR A 663 -2.765 1.241 5.994 1.00 32.33 H new ATOM 0 HG22 THR A 663 -3.314 1.831 4.407 1.00 32.33 H new ATOM 0 HG23 THR A 663 -3.262 2.938 5.799 1.00 32.33 H new ATOM 1032 N LEU A 664 -6.315 1.166 3.135 1.00 51.41 N ATOM 1033 CA LEU A 664 -6.273 0.862 1.708 1.00 73.12 C ATOM 1034 C LEU A 664 -6.769 2.046 0.885 1.00 65.10 C ATOM 1035 O LEU A 664 -6.103 2.485 -0.053 1.00 43.31 O ATOM 1036 CB LEU A 664 -7.121 -0.374 1.405 1.00 34.42 C ATOM 1037 CG LEU A 664 -6.353 -1.680 1.195 1.00 3.04 C ATOM 1038 CD1 LEU A 664 -5.365 -1.906 2.329 1.00 32.51 C ATOM 1039 CD2 LEU A 664 -7.316 -2.853 1.082 1.00 65.31 C ATOM 0 H LEU A 664 -6.787 0.462 3.702 1.00 51.41 H new ATOM 0 HA LEU A 664 -5.237 0.661 1.435 1.00 73.12 H new ATOM 0 HB2 LEU A 664 -7.824 -0.517 2.225 1.00 34.42 H new ATOM 0 HB3 LEU A 664 -7.711 -0.175 0.510 1.00 34.42 H new ATOM 0 HG LEU A 664 -5.793 -1.604 0.263 1.00 3.04 H new ATOM 0 HD11 LEU A 664 -4.828 -2.840 2.163 1.00 32.51 H new ATOM 0 HD12 LEU A 664 -4.655 -1.080 2.363 1.00 32.51 H new ATOM 0 HD13 LEU A 664 -5.903 -1.961 3.275 1.00 32.51 H new ATOM 0 HD21 LEU A 664 -6.752 -3.774 0.933 1.00 65.31 H new ATOM 0 HD22 LEU A 664 -7.903 -2.931 1.997 1.00 65.31 H new ATOM 0 HD23 LEU A 664 -7.984 -2.695 0.235 1.00 65.31 H new ATOM 1051 N ARG A 665 -7.941 2.561 1.242 1.00 71.51 N ATOM 1052 CA ARG A 665 -8.525 3.695 0.536 1.00 5.14 C ATOM 1053 C ARG A 665 -7.668 4.945 0.714 1.00 13.11 C ATOM 1054 O ARG A 665 -7.557 5.766 -0.195 1.00 1.03 O ATOM 1055 CB ARG A 665 -9.944 3.961 1.042 1.00 52.15 C ATOM 1056 CG ARG A 665 -10.731 4.924 0.168 1.00 11.31 C ATOM 1057 CD ARG A 665 -12.227 4.792 0.401 1.00 55.22 C ATOM 1058 NE ARG A 665 -12.967 4.668 -0.853 1.00 12.42 N ATOM 1059 CZ ARG A 665 -13.122 5.665 -1.717 1.00 43.01 C ATOM 1060 NH1 ARG A 665 -12.590 6.854 -1.465 1.00 62.33 N ATOM 1061 NH2 ARG A 665 -13.809 5.474 -2.836 1.00 60.23 N ATOM 0 H ARG A 665 -8.505 2.211 2.016 1.00 71.51 H new ATOM 0 HA ARG A 665 -8.564 3.450 -0.525 1.00 5.14 H new ATOM 0 HB2 ARG A 665 -10.483 3.015 1.102 1.00 52.15 H new ATOM 0 HB3 ARG A 665 -9.891 4.363 2.054 1.00 52.15 H new ATOM 0 HG2 ARG A 665 -10.418 5.947 0.378 1.00 11.31 H new ATOM 0 HG3 ARG A 665 -10.507 4.731 -0.881 1.00 11.31 H new ATOM 0 HD2 ARG A 665 -12.421 3.919 1.025 1.00 55.22 H new ATOM 0 HD3 ARG A 665 -12.587 5.662 0.950 1.00 55.22 H new ATOM 0 HE ARG A 665 -13.388 3.766 -1.077 1.00 12.42 H new ATOM 0 HH11 ARG A 665 -12.061 7.004 -0.606 1.00 62.33 H new ATOM 0 HH12 ARG A 665 -12.710 7.618 -2.130 1.00 62.33 H new ATOM 0 HH21 ARG A 665 -14.219 4.561 -3.033 1.00 60.23 H new ATOM 0 HH22 ARG A 665 -13.927 6.240 -3.499 1.00 60.23 H new ATOM 1075 N GLU A 666 -7.066 5.082 1.892 1.00 65.33 N ATOM 1076 CA GLU A 666 -6.221 6.232 2.188 1.00 4.22 C ATOM 1077 C GLU A 666 -5.125 6.387 1.137 1.00 52.53 C ATOM 1078 O GLU A 666 -4.824 7.498 0.696 1.00 32.52 O ATOM 1079 CB GLU A 666 -5.594 6.089 3.576 1.00 14.00 C ATOM 1080 CG GLU A 666 -5.894 7.255 4.503 1.00 4.20 C ATOM 1081 CD GLU A 666 -4.641 7.853 5.113 1.00 10.50 C ATOM 1082 OE1 GLU A 666 -3.763 8.301 4.345 1.00 34.21 O ATOM 1083 OE2 GLU A 666 -4.537 7.873 6.357 1.00 63.32 O ATOM 0 H GLU A 666 -7.148 4.411 2.656 1.00 65.33 H new ATOM 0 HA GLU A 666 -6.847 7.124 2.170 1.00 4.22 H new ATOM 0 HB2 GLU A 666 -5.955 5.169 4.035 1.00 14.00 H new ATOM 0 HB3 GLU A 666 -4.514 5.990 3.469 1.00 14.00 H new ATOM 0 HG2 GLU A 666 -6.428 8.027 3.949 1.00 4.20 H new ATOM 0 HG3 GLU A 666 -6.557 6.919 5.300 1.00 4.20 H new ATOM 1090 N LEU A 667 -4.531 5.268 0.741 1.00 65.23 N ATOM 1091 CA LEU A 667 -3.468 5.277 -0.258 1.00 4.31 C ATOM 1092 C LEU A 667 -3.991 5.766 -1.605 1.00 43.35 C ATOM 1093 O LEU A 667 -3.399 6.648 -2.227 1.00 12.04 O ATOM 1094 CB LEU A 667 -2.868 3.878 -0.408 1.00 35.00 C ATOM 1095 CG LEU A 667 -2.731 3.065 0.879 1.00 2.14 C ATOM 1096 CD1 LEU A 667 -1.971 1.774 0.617 1.00 35.20 C ATOM 1097 CD2 LEU A 667 -2.035 3.886 1.955 1.00 24.24 C ATOM 0 H LEU A 667 -4.767 4.342 1.096 1.00 65.23 H new ATOM 0 HA LEU A 667 -2.692 5.963 0.081 1.00 4.31 H new ATOM 0 HB2 LEU A 667 -3.485 3.313 -1.107 1.00 35.00 H new ATOM 0 HB3 LEU A 667 -1.881 3.974 -0.860 1.00 35.00 H new ATOM 0 HG LEU A 667 -3.730 2.809 1.233 1.00 2.14 H new ATOM 0 HD11 LEU A 667 -1.883 1.209 1.545 1.00 35.20 H new ATOM 0 HD12 LEU A 667 -2.508 1.179 -0.121 1.00 35.20 H new ATOM 0 HD13 LEU A 667 -0.976 2.008 0.239 1.00 35.20 H new ATOM 0 HD21 LEU A 667 -1.946 3.292 2.865 1.00 24.24 H new ATOM 0 HD22 LEU A 667 -1.042 4.172 1.609 1.00 24.24 H new ATOM 0 HD23 LEU A 667 -2.619 4.783 2.163 1.00 24.24 H new ATOM 1109 N GLU A 668 -5.103 5.189 -2.047 1.00 61.13 N ATOM 1110 CA GLU A 668 -5.705 5.567 -3.321 1.00 35.22 C ATOM 1111 C GLU A 668 -5.942 7.074 -3.383 1.00 72.40 C ATOM 1112 O GLU A 668 -5.893 7.676 -4.456 1.00 42.11 O ATOM 1113 CB GLU A 668 -7.027 4.823 -3.526 1.00 4.31 C ATOM 1114 CG GLU A 668 -7.369 4.584 -4.987 1.00 40.43 C ATOM 1115 CD GLU A 668 -8.669 3.824 -5.165 1.00 2.44 C ATOM 1116 OE1 GLU A 668 -9.743 4.456 -5.074 1.00 3.23 O ATOM 1117 OE2 GLU A 668 -8.613 2.598 -5.394 1.00 32.21 O ATOM 0 H GLU A 668 -5.606 4.459 -1.543 1.00 61.13 H new ATOM 0 HA GLU A 668 -5.014 5.291 -4.118 1.00 35.22 H new ATOM 0 HB2 GLU A 668 -6.978 3.864 -3.011 1.00 4.31 H new ATOM 0 HB3 GLU A 668 -7.831 5.393 -3.062 1.00 4.31 H new ATOM 0 HG2 GLU A 668 -7.439 5.542 -5.501 1.00 40.43 H new ATOM 0 HG3 GLU A 668 -6.560 4.028 -5.459 1.00 40.43 H new ATOM 1124 N ARG A 669 -6.200 7.674 -2.227 1.00 13.23 N ATOM 1125 CA ARG A 669 -6.447 9.109 -2.149 1.00 45.32 C ATOM 1126 C ARG A 669 -5.155 9.896 -2.360 1.00 71.52 C ATOM 1127 O ARG A 669 -5.173 11.010 -2.882 1.00 74.23 O ATOM 1128 CB ARG A 669 -7.060 9.472 -0.795 1.00 63.42 C ATOM 1129 CG ARG A 669 -8.309 10.329 -0.904 1.00 15.33 C ATOM 1130 CD ARG A 669 -7.986 11.807 -0.743 1.00 34.44 C ATOM 1131 NE ARG A 669 -8.710 12.634 -1.705 1.00 61.32 N ATOM 1132 CZ ARG A 669 -8.875 13.945 -1.570 1.00 61.25 C ATOM 1133 NH1 ARG A 669 -8.369 14.575 -0.519 1.00 71.31 N ATOM 1134 NH2 ARG A 669 -9.546 14.628 -2.489 1.00 22.33 N ATOM 0 H ARG A 669 -6.244 7.189 -1.331 1.00 13.23 H new ATOM 0 HA ARG A 669 -7.148 9.373 -2.940 1.00 45.32 H new ATOM 0 HB2 ARG A 669 -7.304 8.555 -0.258 1.00 63.42 H new ATOM 0 HB3 ARG A 669 -6.317 10.002 -0.199 1.00 63.42 H new ATOM 0 HG2 ARG A 669 -8.783 10.162 -1.871 1.00 15.33 H new ATOM 0 HG3 ARG A 669 -9.027 10.027 -0.141 1.00 15.33 H new ATOM 0 HD2 ARG A 669 -8.237 12.125 0.269 1.00 34.44 H new ATOM 0 HD3 ARG A 669 -6.914 11.959 -0.868 1.00 34.44 H new ATOM 0 HE ARG A 669 -9.111 12.180 -2.526 1.00 61.32 H new ATOM 0 HH11 ARG A 669 -7.852 14.053 0.188 1.00 71.31 H new ATOM 0 HH12 ARG A 669 -8.497 15.582 -0.418 1.00 71.31 H new ATOM 0 HH21 ARG A 669 -9.935 14.146 -3.299 1.00 22.33 H new ATOM 0 HH22 ARG A 669 -9.672 15.635 -2.385 1.00 22.33 H new ATOM 1148 N TYR A 670 -4.037 9.306 -1.952 1.00 13.51 N ATOM 1149 CA TYR A 670 -2.738 9.952 -2.093 1.00 24.52 C ATOM 1150 C TYR A 670 -2.208 9.804 -3.516 1.00 71.32 C ATOM 1151 O TYR A 670 -1.569 10.711 -4.051 1.00 74.11 O ATOM 1152 CB TYR A 670 -1.738 9.355 -1.101 1.00 2.51 C ATOM 1153 CG TYR A 670 -1.797 9.988 0.271 1.00 23.35 C ATOM 1154 CD1 TYR A 670 -2.992 10.052 0.977 1.00 1.33 C ATOM 1155 CD2 TYR A 670 -0.658 10.521 0.862 1.00 2.52 C ATOM 1156 CE1 TYR A 670 -3.051 10.630 2.231 1.00 52.04 C ATOM 1157 CE2 TYR A 670 -0.708 11.099 2.116 1.00 5.41 C ATOM 1158 CZ TYR A 670 -1.906 11.151 2.796 1.00 30.23 C ATOM 1159 OH TYR A 670 -1.960 11.727 4.045 1.00 44.14 O ATOM 0 H TYR A 670 -4.004 8.382 -1.521 1.00 13.51 H new ATOM 0 HA TYR A 670 -2.863 11.013 -1.879 1.00 24.52 H new ATOM 0 HB2 TYR A 670 -1.926 8.285 -1.007 1.00 2.51 H new ATOM 0 HB3 TYR A 670 -0.730 9.468 -1.501 1.00 2.51 H new ATOM 0 HD1 TYR A 670 -3.890 9.643 0.538 1.00 1.33 H new ATOM 0 HD2 TYR A 670 0.282 10.483 0.332 1.00 2.52 H new ATOM 0 HE1 TYR A 670 -3.989 10.673 2.765 1.00 52.04 H new ATOM 0 HE2 TYR A 670 0.187 11.508 2.561 1.00 5.41 H new ATOM 0 HH TYR A 670 -1.068 12.044 4.298 1.00 44.14 H new ATOM 1169 N VAL A 671 -2.477 8.654 -4.125 1.00 72.41 N ATOM 1170 CA VAL A 671 -2.031 8.385 -5.486 1.00 62.13 C ATOM 1171 C VAL A 671 -2.923 9.086 -6.505 1.00 23.31 C ATOM 1172 O VAL A 671 -2.450 9.564 -7.537 1.00 61.34 O ATOM 1173 CB VAL A 671 -2.017 6.875 -5.785 1.00 64.55 C ATOM 1174 CG1 VAL A 671 -3.431 6.363 -6.021 1.00 44.30 C ATOM 1175 CG2 VAL A 671 -1.128 6.576 -6.983 1.00 4.50 C ATOM 0 H VAL A 671 -3.003 7.892 -3.696 1.00 72.41 H new ATOM 0 HA VAL A 671 -1.016 8.773 -5.568 1.00 62.13 H new ATOM 0 HB VAL A 671 -1.607 6.356 -4.918 1.00 64.55 H new ATOM 0 HG11 VAL A 671 -3.401 5.294 -6.231 1.00 44.30 H new ATOM 0 HG12 VAL A 671 -4.036 6.541 -5.132 1.00 44.30 H new ATOM 0 HG13 VAL A 671 -3.871 6.887 -6.870 1.00 44.30 H new ATOM 0 HG21 VAL A 671 -1.130 5.504 -7.179 1.00 4.50 H new ATOM 0 HG22 VAL A 671 -1.506 7.106 -7.858 1.00 4.50 H new ATOM 0 HG23 VAL A 671 -0.110 6.904 -6.772 1.00 4.50 H new ATOM 1185 N THR A 672 -4.217 9.144 -6.209 1.00 33.40 N ATOM 1186 CA THR A 672 -5.177 9.786 -7.100 1.00 21.35 C ATOM 1187 C THR A 672 -4.924 11.286 -7.190 1.00 33.10 C ATOM 1188 O THR A 672 -5.154 11.902 -8.230 1.00 71.00 O ATOM 1189 CB THR A 672 -6.625 9.547 -6.630 1.00 65.35 C ATOM 1190 OG1 THR A 672 -7.542 9.926 -7.663 1.00 30.25 O ATOM 1191 CG2 THR A 672 -6.922 10.338 -5.366 1.00 63.22 C ATOM 0 H THR A 672 -4.625 8.754 -5.359 1.00 33.40 H new ATOM 0 HA THR A 672 -5.044 9.339 -8.085 1.00 21.35 H new ATOM 0 HB THR A 672 -6.743 8.486 -6.410 1.00 65.35 H new ATOM 0 HG1 THR A 672 -8.460 9.770 -7.359 1.00 30.25 H new ATOM 0 HG21 THR A 672 -7.950 10.153 -5.054 1.00 63.22 H new ATOM 0 HG22 THR A 672 -6.241 10.027 -4.574 1.00 63.22 H new ATOM 0 HG23 THR A 672 -6.789 11.402 -5.563 1.00 63.22 H new ATOM 1199 N SER A 673 -4.450 11.868 -6.093 1.00 14.42 N ATOM 1200 CA SER A 673 -4.170 13.299 -6.048 1.00 52.40 C ATOM 1201 C SER A 673 -2.909 13.631 -6.840 1.00 61.44 C ATOM 1202 O SER A 673 -2.822 14.682 -7.477 1.00 65.42 O ATOM 1203 CB SER A 673 -4.013 13.764 -4.599 1.00 25.34 C ATOM 1204 OG SER A 673 -4.242 15.157 -4.482 1.00 35.20 O ATOM 0 H SER A 673 -4.252 11.372 -5.224 1.00 14.42 H new ATOM 0 HA SER A 673 -5.011 13.823 -6.501 1.00 52.40 H new ATOM 0 HB2 SER A 673 -4.713 13.223 -3.962 1.00 25.34 H new ATOM 0 HB3 SER A 673 -3.010 13.526 -4.244 1.00 25.34 H new ATOM 0 HG SER A 673 -4.137 15.428 -3.546 1.00 35.20 H new ATOM 1210 N CYS A 674 -1.936 12.728 -6.796 1.00 61.31 N ATOM 1211 CA CYS A 674 -0.678 12.924 -7.509 1.00 31.23 C ATOM 1212 C CYS A 674 -0.836 12.596 -8.990 1.00 22.53 C ATOM 1213 O CYS A 674 -0.457 13.386 -9.856 1.00 24.44 O ATOM 1214 CB CYS A 674 0.420 12.054 -6.896 1.00 12.23 C ATOM 1215 SG CYS A 674 2.098 12.641 -7.227 1.00 15.34 S ATOM 0 H CYS A 674 -1.993 11.853 -6.275 1.00 61.31 H new ATOM 0 HA CYS A 674 -0.395 13.973 -7.416 1.00 31.23 H new ATOM 0 HB2 CYS A 674 0.270 12.005 -5.818 1.00 12.23 H new ATOM 0 HB3 CYS A 674 0.320 11.038 -7.278 1.00 12.23 H new ATOM 0 HG CYS A 674 2.956 11.841 -6.666 1.00 15.34 H new ATOM 1221 N LEU A 675 -1.398 11.426 -9.275 1.00 3.05 N ATOM 1222 CA LEU A 675 -1.604 10.992 -10.652 1.00 40.11 C ATOM 1223 C LEU A 675 -2.722 11.793 -11.314 1.00 23.44 C ATOM 1224 O LEU A 675 -2.731 11.975 -12.530 1.00 61.15 O ATOM 1225 CB LEU A 675 -1.938 9.499 -10.693 1.00 32.02 C ATOM 1226 CG LEU A 675 -0.789 8.565 -11.073 1.00 52.15 C ATOM 1227 CD1 LEU A 675 -0.435 7.652 -9.909 1.00 53.33 C ATOM 1228 CD2 LEU A 675 -1.153 7.747 -12.304 1.00 60.10 C ATOM 0 H LEU A 675 -1.719 10.761 -8.571 1.00 3.05 H new ATOM 0 HA LEU A 675 -0.680 11.167 -11.204 1.00 40.11 H new ATOM 0 HB2 LEU A 675 -2.311 9.203 -9.712 1.00 32.02 H new ATOM 0 HB3 LEU A 675 -2.752 9.348 -11.402 1.00 32.02 H new ATOM 0 HG LEU A 675 0.085 9.172 -11.309 1.00 52.15 H new ATOM 0 HD11 LEU A 675 0.385 6.995 -10.199 1.00 53.33 H new ATOM 0 HD12 LEU A 675 -0.132 8.255 -9.053 1.00 53.33 H new ATOM 0 HD13 LEU A 675 -1.304 7.051 -9.640 1.00 53.33 H new ATOM 0 HD21 LEU A 675 -0.324 7.087 -12.561 1.00 60.10 H new ATOM 0 HD22 LEU A 675 -2.040 7.150 -12.095 1.00 60.10 H new ATOM 0 HD23 LEU A 675 -1.356 8.417 -13.139 1.00 60.10 H new ATOM 1240 N ARG A 676 -3.660 12.270 -10.502 1.00 71.45 N ATOM 1241 CA ARG A 676 -4.782 13.052 -11.009 1.00 21.00 C ATOM 1242 C ARG A 676 -5.549 12.275 -12.075 1.00 35.32 C ATOM 1243 O ARG A 676 -5.416 12.539 -13.269 1.00 41.51 O ATOM 1244 CB ARG A 676 -4.285 14.377 -11.588 1.00 53.50 C ATOM 1245 CG ARG A 676 -4.003 15.435 -10.533 1.00 11.11 C ATOM 1246 CD ARG A 676 -4.711 16.743 -10.853 1.00 3.31 C ATOM 1247 NE ARG A 676 -3.966 17.902 -10.365 1.00 31.42 N ATOM 1248 CZ ARG A 676 -3.850 18.211 -9.078 1.00 62.10 C ATOM 1249 NH1 ARG A 676 -4.425 17.451 -8.156 1.00 1.45 N ATOM 1250 NH2 ARG A 676 -3.156 19.281 -8.712 1.00 22.45 N ATOM 0 H ARG A 676 -3.666 12.129 -9.492 1.00 71.45 H new ATOM 0 HA ARG A 676 -5.456 13.256 -10.177 1.00 21.00 H new ATOM 0 HB2 ARG A 676 -3.375 14.195 -12.160 1.00 53.50 H new ATOM 0 HB3 ARG A 676 -5.029 14.761 -12.286 1.00 53.50 H new ATOM 0 HG2 ARG A 676 -4.328 15.073 -9.557 1.00 11.11 H new ATOM 0 HG3 ARG A 676 -2.929 15.608 -10.467 1.00 11.11 H new ATOM 0 HD2 ARG A 676 -4.847 16.827 -11.931 1.00 3.31 H new ATOM 0 HD3 ARG A 676 -5.705 16.736 -10.406 1.00 3.31 H new ATOM 0 HE ARG A 676 -3.511 18.506 -11.049 1.00 31.42 H new ATOM 0 HH11 ARG A 676 -4.958 16.627 -8.434 1.00 1.45 H new ATOM 0 HH12 ARG A 676 -4.334 17.690 -7.169 1.00 1.45 H new ATOM 0 HH21 ARG A 676 -2.711 19.867 -9.419 1.00 22.45 H new ATOM 0 HH22 ARG A 676 -3.067 19.518 -7.724 1.00 22.45 H new ATOM 1264 N LYS A 677 -6.355 11.313 -11.633 1.00 43.20 N ATOM 1265 CA LYS A 677 -7.145 10.497 -12.547 1.00 41.22 C ATOM 1266 C LYS A 677 -8.635 10.632 -12.247 1.00 64.12 C ATOM 1267 O LYS A 677 -9.375 11.270 -12.997 1.00 22.54 O ATOM 1268 CB LYS A 677 -6.724 9.030 -12.447 1.00 44.11 C ATOM 1269 CG LYS A 677 -5.841 8.570 -13.595 1.00 55.12 C ATOM 1270 CD LYS A 677 -6.125 7.127 -13.974 1.00 52.12 C ATOM 1271 CE LYS A 677 -7.003 7.039 -15.213 1.00 21.42 C ATOM 1272 NZ LYS A 677 -7.536 5.663 -15.418 1.00 23.45 N ATOM 0 H LYS A 677 -6.477 11.081 -10.647 1.00 43.20 H new ATOM 0 HA LYS A 677 -6.963 10.852 -13.561 1.00 41.22 H new ATOM 0 HB2 LYS A 677 -6.193 8.876 -11.507 1.00 44.11 H new ATOM 0 HB3 LYS A 677 -7.617 8.406 -12.414 1.00 44.11 H new ATOM 0 HG2 LYS A 677 -6.003 9.213 -14.460 1.00 55.12 H new ATOM 0 HG3 LYS A 677 -4.793 8.673 -13.313 1.00 55.12 H new ATOM 0 HD2 LYS A 677 -5.185 6.605 -14.155 1.00 52.12 H new ATOM 0 HD3 LYS A 677 -6.615 6.621 -13.142 1.00 52.12 H new ATOM 0 HE2 LYS A 677 -7.833 7.740 -15.121 1.00 21.42 H new ATOM 0 HE3 LYS A 677 -6.427 7.340 -16.088 1.00 21.42 H new ATOM 0 HZ1 LYS A 677 -8.129 5.644 -16.272 1.00 23.45 H new ATOM 0 HZ2 LYS A 677 -6.745 4.998 -15.531 1.00 23.45 H new ATOM 0 HZ3 LYS A 677 -8.107 5.385 -14.594 1.00 23.45 H new ATOM 1286 N LYS A 678 -9.068 10.029 -11.145 1.00 43.01 N ATOM 1287 CA LYS A 678 -10.468 10.083 -10.742 1.00 65.24 C ATOM 1288 C LYS A 678 -10.623 10.796 -9.404 1.00 3.25 C ATOM 1289 O LYS A 678 -11.077 11.940 -9.379 1.00 62.44 O ATOM 1290 CB LYS A 678 -11.048 8.670 -10.651 1.00 34.45 C ATOM 1291 CG LYS A 678 -12.411 8.528 -11.305 1.00 54.54 C ATOM 1292 CD LYS A 678 -13.505 8.306 -10.274 1.00 33.44 C ATOM 1293 CE LYS A 678 -14.866 8.134 -10.932 1.00 1.42 C ATOM 1294 NZ LYS A 678 -15.886 9.044 -10.341 1.00 73.33 N ATOM 0 H LYS A 678 -8.469 9.497 -10.514 1.00 43.01 H new ATOM 0 HA LYS A 678 -11.016 10.646 -11.497 1.00 65.24 H new ATOM 0 HB2 LYS A 678 -10.355 7.971 -11.120 1.00 34.45 H new ATOM 0 HB3 LYS A 678 -11.127 8.386 -9.602 1.00 34.45 H new ATOM 0 HG2 LYS A 678 -12.633 9.424 -11.884 1.00 54.54 H new ATOM 0 HG3 LYS A 678 -12.394 7.692 -12.005 1.00 54.54 H new ATOM 0 HD2 LYS A 678 -13.273 7.422 -9.680 1.00 33.44 H new ATOM 0 HD3 LYS A 678 -13.536 9.152 -9.587 1.00 33.44 H new ATOM 0 HE2 LYS A 678 -14.780 8.330 -12.001 1.00 1.42 H new ATOM 0 HE3 LYS A 678 -15.194 7.100 -10.823 1.00 1.42 H new ATOM 0 HZ1 LYS A 678 -16.799 8.897 -10.816 1.00 73.33 H new ATOM 0 HZ2 LYS A 678 -15.987 8.840 -9.326 1.00 73.33 H new ATOM 0 HZ3 LYS A 678 -15.585 10.031 -10.468 1.00 73.33 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 17.320 3.567 -2.163 1.00 44.33 N ATOM 1310 CA THR B 389 15.910 3.936 -2.167 1.00 42.44 C ATOM 1311 C THR B 389 15.030 2.744 -1.815 1.00 35.11 C ATOM 1312 O THR B 389 15.527 1.681 -1.444 1.00 65.11 O ATOM 1313 CB THR B 389 15.479 4.492 -3.537 1.00 72.00 C ATOM 1314 OG1 THR B 389 16.608 4.565 -4.414 1.00 62.04 O ATOM 1315 CG2 THR B 389 14.855 5.872 -3.389 1.00 75.33 C ATOM 0 HA THR B 389 15.784 4.713 -1.413 1.00 42.44 H new ATOM 0 HB THR B 389 14.735 3.817 -3.960 1.00 72.00 H new ATOM 0 HG1 THR B 389 17.411 4.262 -3.940 1.00 62.04 H new ATOM 0 HG21 THR B 389 14.558 6.244 -4.370 1.00 75.33 H new ATOM 0 HG22 THR B 389 13.978 5.808 -2.745 1.00 75.33 H new ATOM 0 HG23 THR B 389 15.581 6.554 -2.946 1.00 75.33 H new ATOM 1323 N TRP B 390 13.719 2.927 -1.932 1.00 10.20 N ATOM 1324 CA TRP B 390 12.768 1.864 -1.626 1.00 63.15 C ATOM 1325 C TRP B 390 12.579 0.942 -2.825 1.00 62.13 C ATOM 1326 O TRP B 390 12.969 1.275 -3.945 1.00 23.33 O ATOM 1327 CB TRP B 390 11.423 2.460 -1.208 1.00 61.31 C ATOM 1328 CG TRP B 390 11.338 2.762 0.258 1.00 41.13 C ATOM 1329 CD1 TRP B 390 11.891 3.828 0.909 1.00 54.15 C ATOM 1330 CD2 TRP B 390 10.662 1.988 1.254 1.00 14.02 C ATOM 1331 NE1 TRP B 390 11.597 3.764 2.250 1.00 64.13 N ATOM 1332 CE2 TRP B 390 10.845 2.644 2.487 1.00 52.35 C ATOM 1333 CE3 TRP B 390 9.917 0.805 1.225 1.00 13.11 C ATOM 1334 CZ2 TRP B 390 10.311 2.156 3.677 1.00 61.01 C ATOM 1335 CZ3 TRP B 390 9.389 0.322 2.406 1.00 31.23 C ATOM 1336 CH2 TRP B 390 9.587 0.996 3.619 1.00 44.15 C ATOM 0 H TRP B 390 13.291 3.801 -2.236 1.00 10.20 H new ATOM 0 HA TRP B 390 13.170 1.277 -0.800 1.00 63.15 H new ATOM 0 HB2 TRP B 390 11.249 3.377 -1.771 1.00 61.31 H new ATOM 0 HB3 TRP B 390 10.627 1.765 -1.476 1.00 61.31 H new ATOM 0 HD1 TRP B 390 12.474 4.607 0.439 1.00 54.15 H new ATOM 0 HE1 TRP B 390 11.891 4.441 2.954 1.00 64.13 H new ATOM 0 HE3 TRP B 390 9.757 0.279 0.296 1.00 13.11 H new ATOM 0 HZ2 TRP B 390 10.463 2.674 4.612 1.00 61.01 H new ATOM 0 HZ3 TRP B 390 8.813 -0.592 2.395 1.00 31.23 H new ATOM 0 HH2 TRP B 390 9.160 0.592 4.525 1.00 44.15 H new ATOM 1347 N ARG B 391 11.977 -0.219 -2.585 1.00 23.35 N ATOM 1348 CA ARG B 391 11.737 -1.190 -3.645 1.00 62.12 C ATOM 1349 C ARG B 391 10.404 -1.902 -3.438 1.00 61.33 C ATOM 1350 O ARG B 391 9.764 -1.753 -2.398 1.00 31.33 O ATOM 1351 CB ARG B 391 12.873 -2.214 -3.696 1.00 13.34 C ATOM 1352 CG ARG B 391 12.973 -3.074 -2.447 1.00 30.05 C ATOM 1353 CD ARG B 391 14.320 -3.774 -2.359 1.00 63.42 C ATOM 1354 NE ARG B 391 14.529 -4.700 -3.469 1.00 64.12 N ATOM 1355 CZ ARG B 391 15.599 -5.478 -3.586 1.00 32.30 C ATOM 1356 NH1 ARG B 391 16.552 -5.444 -2.665 1.00 72.40 N ATOM 1357 NH2 ARG B 391 15.717 -6.295 -4.626 1.00 14.24 N ATOM 0 H ARG B 391 11.647 -0.510 -1.665 1.00 23.35 H new ATOM 0 HA ARG B 391 11.699 -0.653 -4.593 1.00 62.12 H new ATOM 0 HB2 ARG B 391 12.730 -2.861 -4.562 1.00 13.34 H new ATOM 0 HB3 ARG B 391 13.817 -1.690 -3.843 1.00 13.34 H new ATOM 0 HG2 ARG B 391 12.826 -2.453 -1.563 1.00 30.05 H new ATOM 0 HG3 ARG B 391 12.175 -3.817 -2.451 1.00 30.05 H new ATOM 0 HD2 ARG B 391 15.116 -3.029 -2.353 1.00 63.42 H new ATOM 0 HD3 ARG B 391 14.385 -4.317 -1.416 1.00 63.42 H new ATOM 0 HE ARG B 391 13.814 -4.752 -4.194 1.00 64.12 H new ATOM 0 HH11 ARG B 391 16.465 -4.819 -1.864 1.00 72.40 H new ATOM 0 HH12 ARG B 391 17.373 -6.043 -2.758 1.00 72.40 H new ATOM 0 HH21 ARG B 391 14.985 -6.326 -5.336 1.00 14.24 H new ATOM 0 HH22 ARG B 391 16.539 -6.892 -4.715 1.00 14.24 H new ATOM 1371 N VAL B 392 9.992 -2.678 -4.437 1.00 12.45 N ATOM 1372 CA VAL B 392 8.736 -3.415 -4.364 1.00 10.41 C ATOM 1373 C VAL B 392 8.916 -4.855 -4.827 1.00 64.15 C ATOM 1374 O VAL B 392 9.746 -5.140 -5.691 1.00 3.24 O ATOM 1375 CB VAL B 392 7.643 -2.745 -5.218 1.00 21.14 C ATOM 1376 CG1 VAL B 392 8.053 -2.714 -6.683 1.00 34.13 C ATOM 1377 CG2 VAL B 392 6.315 -3.466 -5.043 1.00 31.31 C ATOM 0 H VAL B 392 10.510 -2.812 -5.305 1.00 12.45 H new ATOM 0 HA VAL B 392 8.425 -3.409 -3.319 1.00 10.41 H new ATOM 0 HB VAL B 392 7.520 -1.717 -4.878 1.00 21.14 H new ATOM 0 HG11 VAL B 392 7.268 -2.237 -7.270 1.00 34.13 H new ATOM 0 HG12 VAL B 392 8.980 -2.150 -6.790 1.00 34.13 H new ATOM 0 HG13 VAL B 392 8.205 -3.733 -7.040 1.00 34.13 H new ATOM 0 HG21 VAL B 392 5.554 -2.980 -5.653 1.00 31.31 H new ATOM 0 HG22 VAL B 392 6.421 -4.505 -5.355 1.00 31.31 H new ATOM 0 HG23 VAL B 392 6.017 -3.431 -3.995 1.00 31.31 H new ATOM 1387 N GLN B 393 8.133 -5.760 -4.248 1.00 4.23 N ATOM 1388 CA GLN B 393 8.208 -7.172 -4.602 1.00 72.31 C ATOM 1389 C GLN B 393 6.978 -7.924 -4.104 1.00 42.11 C ATOM 1390 O GLN B 393 6.935 -8.373 -2.958 1.00 63.01 O ATOM 1391 CB GLN B 393 9.475 -7.801 -4.019 1.00 13.01 C ATOM 1392 CG GLN B 393 9.693 -7.479 -2.550 1.00 34.52 C ATOM 1393 CD GLN B 393 10.620 -6.299 -2.341 1.00 12.14 C ATOM 1394 OE1 GLN B 393 11.104 -5.698 -3.301 1.00 1.20 O ATOM 1395 NE2 GLN B 393 10.872 -5.959 -1.083 1.00 11.31 N ATOM 0 H GLN B 393 7.440 -5.540 -3.532 1.00 4.23 H new ATOM 0 HA GLN B 393 8.242 -7.246 -5.689 1.00 72.31 H new ATOM 0 HB2 GLN B 393 9.423 -8.883 -4.141 1.00 13.01 H new ATOM 0 HB3 GLN B 393 10.337 -7.457 -4.590 1.00 13.01 H new ATOM 0 HG2 GLN B 393 8.731 -7.268 -2.082 1.00 34.52 H new ATOM 0 HG3 GLN B 393 10.106 -8.354 -2.048 1.00 34.52 H new ATOM 0 HE21 GLN B 393 10.449 -6.485 -0.318 1.00 11.31 H new ATOM 0 HE22 GLN B 393 11.488 -5.172 -0.881 1.00 11.31 H new ATOM 1404 N ARG B 394 5.980 -8.057 -4.971 1.00 71.01 N ATOM 1405 CA ARG B 394 4.748 -8.752 -4.618 1.00 42.23 C ATOM 1406 C ARG B 394 5.044 -10.164 -4.120 1.00 2.44 C ATOM 1407 O ARG B 394 6.192 -10.610 -4.135 1.00 71.33 O ATOM 1408 CB ARG B 394 3.808 -8.813 -5.823 1.00 51.14 C ATOM 1409 CG ARG B 394 4.499 -9.215 -7.115 1.00 43.13 C ATOM 1410 CD ARG B 394 4.721 -8.018 -8.026 1.00 12.34 C ATOM 1411 NE ARG B 394 3.912 -8.095 -9.239 1.00 12.53 N ATOM 1412 CZ ARG B 394 4.240 -8.830 -10.296 1.00 22.21 C ATOM 1413 NH1 ARG B 394 5.356 -9.547 -10.288 1.00 14.02 N ATOM 1414 NH2 ARG B 394 3.452 -8.849 -11.363 1.00 61.13 N ATOM 0 H ARG B 394 6.000 -7.692 -5.923 1.00 71.01 H new ATOM 0 HA ARG B 394 4.264 -8.195 -3.816 1.00 42.23 H new ATOM 0 HB2 ARG B 394 3.008 -9.523 -5.613 1.00 51.14 H new ATOM 0 HB3 ARG B 394 3.341 -7.837 -5.959 1.00 51.14 H new ATOM 0 HG2 ARG B 394 5.457 -9.682 -6.886 1.00 43.13 H new ATOM 0 HG3 ARG B 394 3.897 -9.961 -7.634 1.00 43.13 H new ATOM 0 HD2 ARG B 394 4.479 -7.102 -7.487 1.00 12.34 H new ATOM 0 HD3 ARG B 394 5.775 -7.959 -8.297 1.00 12.34 H new ATOM 0 HE ARG B 394 3.048 -7.555 -9.277 1.00 12.53 H new ATOM 0 HH11 ARG B 394 5.964 -9.535 -9.469 1.00 14.02 H new ATOM 0 HH12 ARG B 394 5.606 -10.111 -11.101 1.00 14.02 H new ATOM 0 HH21 ARG B 394 2.593 -8.299 -11.373 1.00 61.13 H new ATOM 0 HH22 ARG B 394 3.705 -9.414 -12.174 1.00 61.13 H new ATOM 1428 N SER B 395 4.003 -10.861 -3.676 1.00 51.41 N ATOM 1429 CA SER B 395 4.153 -12.219 -3.169 1.00 15.21 C ATOM 1430 C SER B 395 3.062 -13.130 -3.726 1.00 22.23 C ATOM 1431 O SER B 395 2.328 -12.750 -4.638 1.00 11.25 O ATOM 1432 CB SER B 395 4.104 -12.223 -1.640 1.00 0.33 C ATOM 1433 OG SER B 395 4.869 -13.290 -1.108 1.00 44.23 O ATOM 0 H SER B 395 3.047 -10.507 -3.657 1.00 51.41 H new ATOM 0 HA SER B 395 5.121 -12.598 -3.496 1.00 15.21 H new ATOM 0 HB2 SER B 395 4.482 -11.275 -1.258 1.00 0.33 H new ATOM 0 HB3 SER B 395 3.070 -12.311 -1.306 1.00 0.33 H new ATOM 0 HG SER B 395 4.823 -13.269 -0.129 1.00 44.23 H new ATOM 1439 N GLN B 396 2.965 -14.334 -3.171 1.00 4.45 N ATOM 1440 CA GLN B 396 1.966 -15.299 -3.612 1.00 70.13 C ATOM 1441 C GLN B 396 0.558 -14.819 -3.276 1.00 24.23 C ATOM 1442 O GLN B 396 -0.407 -15.171 -3.953 1.00 44.10 O ATOM 1443 CB GLN B 396 2.221 -16.661 -2.965 1.00 24.34 C ATOM 1444 CG GLN B 396 1.986 -16.675 -1.463 1.00 12.11 C ATOM 1445 CD GLN B 396 2.969 -17.562 -0.725 1.00 72.42 C ATOM 1446 OE1 GLN B 396 4.153 -17.610 -1.061 1.00 34.41 O ATOM 1447 NE2 GLN B 396 2.481 -18.273 0.286 1.00 44.53 N ATOM 0 H GLN B 396 3.566 -14.664 -2.416 1.00 4.45 H new ATOM 0 HA GLN B 396 2.047 -15.398 -4.694 1.00 70.13 H new ATOM 0 HB2 GLN B 396 1.574 -17.403 -3.433 1.00 24.34 H new ATOM 0 HB3 GLN B 396 3.249 -16.963 -3.166 1.00 24.34 H new ATOM 0 HG2 GLN B 396 2.061 -15.658 -1.078 1.00 12.11 H new ATOM 0 HG3 GLN B 396 0.971 -17.018 -1.261 1.00 12.11 H new ATOM 0 HE21 GLN B 396 1.493 -18.202 0.529 1.00 44.53 H new ATOM 0 HE22 GLN B 396 3.094 -18.890 0.819 1.00 44.53 H new ATOM 1456 N ASN B 397 0.449 -14.013 -2.225 1.00 52.55 N ATOM 1457 CA ASN B 397 -0.842 -13.483 -1.798 1.00 62.24 C ATOM 1458 C ASN B 397 -1.625 -12.935 -2.987 1.00 31.22 C ATOM 1459 O ASN B 397 -1.078 -12.690 -4.062 1.00 2.12 O ATOM 1460 CB ASN B 397 -0.645 -12.385 -0.751 1.00 52.13 C ATOM 1461 CG ASN B 397 -1.091 -12.819 0.632 1.00 15.50 C ATOM 1462 OD1 ASN B 397 -1.958 -12.190 1.242 1.00 40.43 O ATOM 1463 ND2 ASN B 397 -0.501 -13.897 1.134 1.00 55.43 N ATOM 0 H ASN B 397 1.238 -13.712 -1.653 1.00 52.55 H new ATOM 0 HA ASN B 397 -1.413 -14.299 -1.355 1.00 62.24 H new ATOM 0 HB2 ASN B 397 0.407 -12.102 -0.718 1.00 52.13 H new ATOM 0 HB3 ASN B 397 -1.204 -11.498 -1.049 1.00 52.13 H new ATOM 0 HD21 ASN B 397 -0.761 -14.236 2.060 1.00 55.43 H new ATOM 0 HD22 ASN B 397 0.212 -14.387 0.593 1.00 55.43 H new ATOM 1470 N PRO B 398 -2.937 -12.737 -2.790 1.00 0.53 N ATOM 1471 CA PRO B 398 -3.823 -12.213 -3.834 1.00 12.34 C ATOM 1472 C PRO B 398 -3.549 -10.746 -4.146 1.00 44.21 C ATOM 1473 O PRO B 398 -3.909 -10.250 -5.214 1.00 24.31 O ATOM 1474 CB PRO B 398 -5.219 -12.379 -3.228 1.00 12.41 C ATOM 1475 CG PRO B 398 -4.997 -12.366 -1.755 1.00 73.04 C ATOM 1476 CD PRO B 398 -3.655 -13.007 -1.533 1.00 10.51 C ATOM 0 HA PRO B 398 -3.689 -12.734 -4.782 1.00 12.34 H new ATOM 0 HB2 PRO B 398 -5.883 -11.571 -3.535 1.00 12.41 H new ATOM 0 HB3 PRO B 398 -5.682 -13.312 -3.550 1.00 12.41 H new ATOM 0 HG2 PRO B 398 -5.012 -11.347 -1.367 1.00 73.04 H new ATOM 0 HG3 PRO B 398 -5.783 -12.916 -1.237 1.00 73.04 H new ATOM 0 HD2 PRO B 398 -3.140 -12.575 -0.675 1.00 10.51 H new ATOM 0 HD3 PRO B 398 -3.747 -14.077 -1.344 1.00 10.51 H new ATOM 1484 N LEU B 399 -2.908 -10.056 -3.208 1.00 72.23 N ATOM 1485 CA LEU B 399 -2.584 -8.645 -3.384 1.00 23.23 C ATOM 1486 C LEU B 399 -1.695 -8.145 -2.250 1.00 64.33 C ATOM 1487 O LEU B 399 -2.047 -7.204 -1.539 1.00 32.14 O ATOM 1488 CB LEU B 399 -3.864 -7.811 -3.448 1.00 14.00 C ATOM 1489 CG LEU B 399 -3.933 -6.771 -4.568 1.00 35.04 C ATOM 1490 CD1 LEU B 399 -2.669 -5.926 -4.588 1.00 11.51 C ATOM 1491 CD2 LEU B 399 -4.146 -7.449 -5.913 1.00 24.12 C ATOM 0 H LEU B 399 -2.603 -10.451 -2.319 1.00 72.23 H new ATOM 0 HA LEU B 399 -2.040 -8.537 -4.323 1.00 23.23 H new ATOM 0 HB2 LEU B 399 -4.710 -8.489 -3.557 1.00 14.00 H new ATOM 0 HB3 LEU B 399 -3.987 -7.297 -2.495 1.00 14.00 H new ATOM 0 HG LEU B 399 -4.782 -6.114 -4.377 1.00 35.04 H new ATOM 0 HD11 LEU B 399 -2.735 -5.192 -5.391 1.00 11.51 H new ATOM 0 HD12 LEU B 399 -2.560 -5.411 -3.633 1.00 11.51 H new ATOM 0 HD13 LEU B 399 -1.804 -6.569 -4.754 1.00 11.51 H new ATOM 0 HD21 LEU B 399 -4.193 -6.694 -6.698 1.00 24.12 H new ATOM 0 HD22 LEU B 399 -3.318 -8.129 -6.113 1.00 24.12 H new ATOM 0 HD23 LEU B 399 -5.080 -8.010 -5.894 1.00 24.12 H new ATOM 1503 N LYS B 400 -0.539 -8.780 -2.088 1.00 0.03 N ATOM 1504 CA LYS B 400 0.404 -8.398 -1.043 1.00 21.52 C ATOM 1505 C LYS B 400 1.654 -7.762 -1.643 1.00 53.30 C ATOM 1506 O LYS B 400 2.357 -8.383 -2.440 1.00 73.34 O ATOM 1507 CB LYS B 400 0.793 -9.620 -0.207 1.00 60.25 C ATOM 1508 CG LYS B 400 1.796 -9.313 0.890 1.00 12.14 C ATOM 1509 CD LYS B 400 2.454 -10.577 1.415 1.00 3.20 C ATOM 1510 CE LYS B 400 1.581 -11.273 2.448 1.00 21.44 C ATOM 1511 NZ LYS B 400 2.315 -12.360 3.153 1.00 24.34 N ATOM 0 H LYS B 400 -0.232 -9.562 -2.667 1.00 0.03 H new ATOM 0 HA LYS B 400 -0.083 -7.665 -0.400 1.00 21.52 H new ATOM 0 HB2 LYS B 400 -0.106 -10.043 0.242 1.00 60.25 H new ATOM 0 HB3 LYS B 400 1.210 -10.382 -0.865 1.00 60.25 H new ATOM 0 HG2 LYS B 400 2.560 -8.637 0.507 1.00 12.14 H new ATOM 0 HG3 LYS B 400 1.294 -8.796 1.708 1.00 12.14 H new ATOM 0 HD2 LYS B 400 2.651 -11.257 0.586 1.00 3.20 H new ATOM 0 HD3 LYS B 400 3.418 -10.329 1.860 1.00 3.20 H new ATOM 0 HE2 LYS B 400 1.227 -10.543 3.176 1.00 21.44 H new ATOM 0 HE3 LYS B 400 0.700 -11.688 1.958 1.00 21.44 H new ATOM 0 HZ1 LYS B 400 1.686 -12.809 3.848 1.00 24.34 H new ATOM 0 HZ2 LYS B 400 2.631 -13.070 2.462 1.00 24.34 H new ATOM 0 HZ3 LYS B 400 3.142 -11.961 3.642 1.00 24.34 H new ATOM 1525 N ILE B 401 1.924 -6.520 -1.255 1.00 21.44 N ATOM 1526 CA ILE B 401 3.090 -5.801 -1.753 1.00 33.23 C ATOM 1527 C ILE B 401 4.153 -5.660 -0.668 1.00 70.22 C ATOM 1528 O ILE B 401 3.931 -5.008 0.352 1.00 10.51 O ATOM 1529 CB ILE B 401 2.710 -4.401 -2.269 1.00 1.11 C ATOM 1530 CG1 ILE B 401 1.293 -4.414 -2.846 1.00 52.12 C ATOM 1531 CG2 ILE B 401 3.710 -3.933 -3.315 1.00 44.24 C ATOM 1532 CD1 ILE B 401 0.224 -4.072 -1.831 1.00 44.25 C ATOM 0 H ILE B 401 1.351 -5.991 -0.597 1.00 21.44 H new ATOM 0 HA ILE B 401 3.493 -6.386 -2.579 1.00 33.23 H new ATOM 0 HB ILE B 401 2.735 -3.702 -1.433 1.00 1.11 H new ATOM 0 HG12 ILE B 401 1.239 -3.704 -3.672 1.00 52.12 H new ATOM 0 HG13 ILE B 401 1.087 -5.401 -3.260 1.00 52.12 H new ATOM 0 HG21 ILE B 401 3.428 -2.942 -3.670 1.00 44.24 H new ATOM 0 HG22 ILE B 401 4.706 -3.890 -2.873 1.00 44.24 H new ATOM 0 HG23 ILE B 401 3.714 -4.631 -4.152 1.00 44.24 H new ATOM 0 HD11 ILE B 401 -0.755 -4.100 -2.310 1.00 44.25 H new ATOM 0 HD12 ILE B 401 0.251 -4.796 -1.017 1.00 44.25 H new ATOM 0 HD13 ILE B 401 0.405 -3.073 -1.435 1.00 44.25 H new ATOM 1544 N ARG B 402 5.310 -6.274 -0.898 1.00 15.22 N ATOM 1545 CA ARG B 402 6.408 -6.216 0.059 1.00 64.12 C ATOM 1546 C ARG B 402 7.370 -5.083 -0.286 1.00 30.25 C ATOM 1547 O ARG B 402 8.224 -5.224 -1.162 1.00 60.14 O ATOM 1548 CB ARG B 402 7.160 -7.548 0.085 1.00 5.21 C ATOM 1549 CG ARG B 402 7.054 -8.282 1.411 1.00 34.10 C ATOM 1550 CD ARG B 402 8.292 -8.069 2.268 1.00 12.12 C ATOM 1551 NE ARG B 402 9.506 -8.529 1.599 1.00 72.51 N ATOM 1552 CZ ARG B 402 9.890 -9.800 1.568 1.00 42.03 C ATOM 1553 NH1 ARG B 402 9.160 -10.733 2.164 1.00 55.41 N ATOM 1554 NH2 ARG B 402 11.008 -10.141 0.940 1.00 73.54 N ATOM 0 H ARG B 402 5.510 -6.817 -1.738 1.00 15.22 H new ATOM 0 HA ARG B 402 5.987 -6.024 1.046 1.00 64.12 H new ATOM 0 HB2 ARG B 402 6.773 -8.189 -0.707 1.00 5.21 H new ATOM 0 HB3 ARG B 402 8.212 -7.366 -0.137 1.00 5.21 H new ATOM 0 HG2 ARG B 402 6.173 -7.935 1.951 1.00 34.10 H new ATOM 0 HG3 ARG B 402 6.916 -9.348 1.228 1.00 34.10 H new ATOM 0 HD2 ARG B 402 8.389 -7.010 2.508 1.00 12.12 H new ATOM 0 HD3 ARG B 402 8.175 -8.600 3.213 1.00 12.12 H new ATOM 0 HE ARG B 402 10.090 -7.837 1.130 1.00 72.51 H new ATOM 0 HH11 ARG B 402 8.300 -10.476 2.649 1.00 55.41 H new ATOM 0 HH12 ARG B 402 9.458 -11.708 2.138 1.00 55.41 H new ATOM 0 HH21 ARG B 402 11.573 -9.427 0.481 1.00 73.54 H new ATOM 0 HH22 ARG B 402 11.302 -11.117 0.917 1.00 73.54 H new ATOM 1568 N LEU B 403 7.226 -3.959 0.408 1.00 33.32 N ATOM 1569 CA LEU B 403 8.081 -2.801 0.176 1.00 54.05 C ATOM 1570 C LEU B 403 9.197 -2.732 1.213 1.00 51.31 C ATOM 1571 O LEU B 403 8.994 -3.058 2.383 1.00 5.54 O ATOM 1572 CB LEU B 403 7.254 -1.515 0.214 1.00 35.21 C ATOM 1573 CG LEU B 403 6.152 -1.394 -0.839 1.00 54.40 C ATOM 1574 CD1 LEU B 403 6.647 -1.893 -2.188 1.00 64.13 C ATOM 1575 CD2 LEU B 403 4.912 -2.162 -0.406 1.00 64.43 C ATOM 0 H LEU B 403 6.525 -3.826 1.136 1.00 33.32 H new ATOM 0 HA LEU B 403 8.532 -2.906 -0.811 1.00 54.05 H new ATOM 0 HB2 LEU B 403 6.797 -1.429 1.200 1.00 35.21 H new ATOM 0 HB3 LEU B 403 7.931 -0.668 0.101 1.00 35.21 H new ATOM 0 HG LEU B 403 5.885 -0.342 -0.939 1.00 54.40 H new ATOM 0 HD11 LEU B 403 5.850 -1.800 -2.925 1.00 64.13 H new ATOM 0 HD12 LEU B 403 7.505 -1.299 -2.503 1.00 64.13 H new ATOM 0 HD13 LEU B 403 6.942 -2.939 -2.103 1.00 64.13 H new ATOM 0 HD21 LEU B 403 4.139 -2.064 -1.168 1.00 64.43 H new ATOM 0 HD22 LEU B 403 5.163 -3.215 -0.277 1.00 64.43 H new ATOM 0 HD23 LEU B 403 4.545 -1.758 0.537 1.00 64.43 H new ATOM 1587 N THR B 404 10.378 -2.303 0.777 1.00 62.41 N ATOM 1588 CA THR B 404 11.526 -2.190 1.666 1.00 40.01 C ATOM 1589 C THR B 404 12.408 -1.008 1.278 1.00 2.14 C ATOM 1590 O THR B 404 12.596 -0.724 0.096 1.00 62.25 O ATOM 1591 CB THR B 404 12.375 -3.475 1.654 1.00 4.13 C ATOM 1592 OG1 THR B 404 12.875 -3.720 0.334 1.00 53.24 O ATOM 1593 CG2 THR B 404 11.558 -4.669 2.122 1.00 73.23 C ATOM 0 H THR B 404 10.563 -2.028 -0.188 1.00 62.41 H new ATOM 0 HA THR B 404 11.133 -2.033 2.670 1.00 40.01 H new ATOM 0 HB THR B 404 13.211 -3.337 2.339 1.00 4.13 H new ATOM 0 HG1 THR B 404 13.072 -4.674 0.231 1.00 53.24 H new ATOM 0 HG21 THR B 404 12.179 -5.564 2.105 1.00 73.23 H new ATOM 0 HG22 THR B 404 11.204 -4.492 3.138 1.00 73.23 H new ATOM 0 HG23 THR B 404 10.704 -4.807 1.459 1.00 73.23 H new ATOM 1601 N ARG B 405 12.946 -0.323 2.282 1.00 20.44 N ATOM 1602 CA ARG B 405 13.808 0.828 2.046 1.00 13.30 C ATOM 1603 C ARG B 405 14.878 0.503 1.008 1.00 4.21 C ATOM 1604 O ARG B 405 16.053 0.347 1.342 1.00 73.31 O ATOM 1605 CB ARG B 405 14.467 1.276 3.352 1.00 41.15 C ATOM 1606 CG ARG B 405 13.533 2.045 4.273 1.00 25.41 C ATOM 1607 CD ARG B 405 14.153 2.253 5.646 1.00 4.31 C ATOM 1608 NE ARG B 405 14.201 3.665 6.016 1.00 50.25 N ATOM 1609 CZ ARG B 405 15.040 4.160 6.920 1.00 40.32 C ATOM 1610 NH1 ARG B 405 15.896 3.361 7.541 1.00 4.34 N ATOM 1611 NH2 ARG B 405 15.024 5.456 7.202 1.00 54.33 N ATOM 0 H ARG B 405 12.800 -0.546 3.267 1.00 20.44 H new ATOM 0 HA ARG B 405 13.190 1.640 1.663 1.00 13.30 H new ATOM 0 HB2 ARG B 405 14.842 0.399 3.879 1.00 41.15 H new ATOM 0 HB3 ARG B 405 15.329 1.901 3.118 1.00 41.15 H new ATOM 0 HG2 ARG B 405 13.297 3.012 3.829 1.00 25.41 H new ATOM 0 HG3 ARG B 405 12.593 1.503 4.375 1.00 25.41 H new ATOM 0 HD2 ARG B 405 13.578 1.702 6.391 1.00 4.31 H new ATOM 0 HD3 ARG B 405 15.162 1.841 5.654 1.00 4.31 H new ATOM 0 HE ARG B 405 13.555 4.306 5.555 1.00 50.25 H new ATOM 0 HH11 ARG B 405 15.912 2.364 7.325 1.00 4.34 H new ATOM 0 HH12 ARG B 405 16.539 3.743 8.234 1.00 4.34 H new ATOM 0 HH21 ARG B 405 14.367 6.074 6.725 1.00 54.33 H new ATOM 0 HH22 ARG B 405 15.668 5.835 7.896 1.00 54.33 H new TER 1625 ARG B 405