USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 397 ASN : amide:sc= -2.09 K(o=-1.1,f=-4.6) USER MOD Set 1.2: B 400 LYS NZ :NH3+ 145:sc= 0.953 (180deg=0) USER MOD Set 2.1: A 635 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.2: A 639 SER OG : rot 92:sc= 1.24 USER MOD Single : A 601 SER OG : rot 160:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 CYS SG : rot 81:sc= 0.156 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -123:sc= -2.45 (180deg=-7.87!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 617 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.8!) USER MOD Single : A 619 SER OG : rot 44:sc= -1.59! USER MOD Single : A 623 ASN : amide:sc= -0.682 K(o=-0.68,f=-1.6!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -176:sc= -0.0466 (180deg=-0.0913) USER MOD Single : A 638 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.043) USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 645 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0147) USER MOD Single : A 646 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.0068) USER MOD Single : A 647 SER OG : rot 180:sc= 0 USER MOD Single : A 648 ASN : amide:sc= -1.93 K(o=-1.9,f=-4.4!) 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 160:sc= -0.772 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot 100:sc= -0.368 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 15:sc= 0.723 USER MOD Single : B 393 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 395 SER OG : rot 180:sc= 0 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : B 404 THR OG1 : rot 180:sc= -0.0853 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -20.498 3.218 19.860 1.00 4.34 N ATOM 2 CA GLU A 600 -20.823 4.187 18.820 1.00 32.13 C ATOM 3 C GLU A 600 -19.666 4.341 17.839 1.00 42.15 C ATOM 4 O GLU A 600 -18.716 5.083 18.092 1.00 55.41 O ATOM 5 CB GLU A 600 -21.160 5.543 19.445 1.00 72.23 C ATOM 6 CG GLU A 600 -22.615 5.676 19.862 1.00 34.31 C ATOM 7 CD GLU A 600 -23.473 6.322 18.791 1.00 30.32 C ATOM 8 OE1 GLU A 600 -23.426 5.856 17.633 1.00 31.25 O ATOM 9 OE2 GLU A 600 -24.191 7.293 19.111 1.00 24.22 O ATOM 0 HA GLU A 600 -21.692 3.819 18.274 1.00 32.13 H new ATOM 0 HB2 GLU A 600 -20.525 5.700 20.317 1.00 72.23 H new ATOM 0 HB3 GLU A 600 -20.922 6.332 18.731 1.00 72.23 H new ATOM 0 HG2 GLU A 600 -23.014 4.689 20.095 1.00 34.31 H new ATOM 0 HG3 GLU A 600 -22.674 6.268 20.776 1.00 34.31 H new ATOM 16 N SER A 601 -19.751 3.634 16.716 1.00 33.21 N ATOM 17 CA SER A 601 -18.709 3.687 15.697 1.00 12.42 C ATOM 18 C SER A 601 -18.631 5.078 15.074 1.00 45.35 C ATOM 19 O SER A 601 -17.694 5.833 15.332 1.00 10.21 O ATOM 20 CB SER A 601 -18.974 2.643 14.612 1.00 55.03 C ATOM 21 OG SER A 601 -18.612 1.346 15.052 1.00 53.44 O ATOM 0 H SER A 601 -20.531 3.018 16.489 1.00 33.21 H new ATOM 0 HA SER A 601 -17.754 3.468 16.175 1.00 12.42 H new ATOM 0 HB2 SER A 601 -20.029 2.657 14.340 1.00 55.03 H new ATOM 0 HB3 SER A 601 -18.410 2.896 13.714 1.00 55.03 H new ATOM 0 HG SER A 601 -19.069 0.675 14.503 1.00 53.44 H new ATOM 27 N GLU A 602 -19.622 5.408 14.252 1.00 51.15 N ATOM 28 CA GLU A 602 -19.665 6.707 13.590 1.00 11.11 C ATOM 29 C GLU A 602 -18.367 6.975 12.833 1.00 11.05 C ATOM 30 O GLU A 602 -17.781 8.050 12.949 1.00 54.31 O ATOM 31 CB GLU A 602 -19.910 7.817 14.614 1.00 30.02 C ATOM 32 CG GLU A 602 -20.676 9.004 14.054 1.00 42.23 C ATOM 33 CD GLU A 602 -22.179 8.822 14.143 1.00 53.50 C ATOM 34 OE1 GLU A 602 -22.766 8.265 13.192 1.00 1.52 O ATOM 35 OE2 GLU A 602 -22.768 9.237 15.162 1.00 1.54 O ATOM 0 H GLU A 602 -20.406 4.794 14.028 1.00 51.15 H new ATOM 0 HA GLU A 602 -20.487 6.695 12.874 1.00 11.11 H new ATOM 0 HB2 GLU A 602 -20.462 7.405 15.459 1.00 30.02 H new ATOM 0 HB3 GLU A 602 -18.951 8.163 14.999 1.00 30.02 H new ATOM 0 HG2 GLU A 602 -20.390 9.905 14.597 1.00 42.23 H new ATOM 0 HG3 GLU A 602 -20.393 9.156 13.012 1.00 42.23 H new ATOM 42 N GLU A 603 -17.926 5.988 12.060 1.00 71.30 N ATOM 43 CA GLU A 603 -16.697 6.117 11.285 1.00 1.30 C ATOM 44 C GLU A 603 -16.561 4.972 10.285 1.00 34.44 C ATOM 45 O GLU A 603 -16.162 5.180 9.140 1.00 34.52 O ATOM 46 CB GLU A 603 -15.483 6.144 12.215 1.00 65.31 C ATOM 47 CG GLU A 603 -14.608 7.375 12.038 1.00 32.25 C ATOM 48 CD GLU A 603 -13.367 7.338 12.909 1.00 32.12 C ATOM 49 OE1 GLU A 603 -13.147 6.310 13.583 1.00 60.11 O ATOM 50 OE2 GLU A 603 -12.617 8.336 12.915 1.00 11.05 O ATOM 0 H GLU A 603 -18.400 5.091 11.954 1.00 71.30 H new ATOM 0 HA GLU A 603 -16.743 7.055 10.732 1.00 1.30 H new ATOM 0 HB2 GLU A 603 -15.826 6.098 13.248 1.00 65.31 H new ATOM 0 HB3 GLU A 603 -14.881 5.252 12.039 1.00 65.31 H new ATOM 0 HG2 GLU A 603 -14.311 7.458 10.992 1.00 32.25 H new ATOM 0 HG3 GLU A 603 -15.188 8.266 12.276 1.00 32.25 H new ATOM 57 N GLU A 604 -16.896 3.765 10.729 1.00 33.41 N ATOM 58 CA GLU A 604 -16.810 2.586 9.874 1.00 4.43 C ATOM 59 C GLU A 604 -17.870 2.633 8.776 1.00 23.52 C ATOM 60 O GLU A 604 -17.626 2.206 7.647 1.00 54.45 O ATOM 61 CB GLU A 604 -16.976 1.312 10.705 1.00 52.32 C ATOM 62 CG GLU A 604 -18.269 1.270 11.502 1.00 25.52 C ATOM 63 CD GLU A 604 -19.343 0.441 10.827 1.00 73.25 C ATOM 64 OE1 GLU A 604 -19.090 -0.750 10.549 1.00 2.02 O ATOM 65 OE2 GLU A 604 -20.440 0.984 10.574 1.00 43.23 O ATOM 0 H GLU A 604 -17.229 3.577 11.675 1.00 33.41 H new ATOM 0 HA GLU A 604 -15.826 2.579 9.406 1.00 4.43 H new ATOM 0 HB2 GLU A 604 -16.940 0.448 10.041 1.00 52.32 H new ATOM 0 HB3 GLU A 604 -16.133 1.223 11.391 1.00 52.32 H new ATOM 0 HG2 GLU A 604 -18.068 0.861 12.492 1.00 25.52 H new ATOM 0 HG3 GLU A 604 -18.636 2.286 11.646 1.00 25.52 H new ATOM 72 N ASP A 605 -19.044 3.150 9.117 1.00 14.35 N ATOM 73 CA ASP A 605 -20.141 3.252 8.162 1.00 11.40 C ATOM 74 C ASP A 605 -19.708 4.021 6.918 1.00 44.43 C ATOM 75 O ASP A 605 -20.139 3.718 5.805 1.00 31.52 O ATOM 76 CB ASP A 605 -21.345 3.940 8.808 1.00 73.12 C ATOM 77 CG ASP A 605 -22.613 3.772 7.994 1.00 63.04 C ATOM 78 OD1 ASP A 605 -23.289 2.735 8.155 1.00 11.12 O ATOM 79 OD2 ASP A 605 -22.929 4.677 7.192 1.00 4.34 O ATOM 0 H ASP A 605 -19.261 3.505 10.048 1.00 14.35 H new ATOM 0 HA ASP A 605 -20.425 2.243 7.863 1.00 11.40 H new ATOM 0 HB2 ASP A 605 -21.501 3.531 9.806 1.00 73.12 H new ATOM 0 HB3 ASP A 605 -21.132 5.002 8.928 1.00 73.12 H new ATOM 84 N LYS A 606 -18.853 5.019 7.113 1.00 4.32 N ATOM 85 CA LYS A 606 -18.360 5.833 6.007 1.00 23.04 C ATOM 86 C LYS A 606 -17.225 5.125 5.275 1.00 2.22 C ATOM 87 O LYS A 606 -17.042 5.307 4.070 1.00 4.35 O ATOM 88 CB LYS A 606 -17.881 7.192 6.522 1.00 62.35 C ATOM 89 CG LYS A 606 -19.005 8.188 6.748 1.00 35.22 C ATOM 90 CD LYS A 606 -18.573 9.316 7.670 1.00 71.11 C ATOM 91 CE LYS A 606 -19.572 10.464 7.651 1.00 23.11 C ATOM 92 NZ LYS A 606 -20.820 10.125 8.387 1.00 21.35 N ATOM 0 H LYS A 606 -18.486 5.284 8.027 1.00 4.32 H new ATOM 0 HA LYS A 606 -19.181 5.986 5.306 1.00 23.04 H new ATOM 0 HB2 LYS A 606 -17.342 7.047 7.458 1.00 62.35 H new ATOM 0 HB3 LYS A 606 -17.173 7.612 5.808 1.00 62.35 H new ATOM 0 HG2 LYS A 606 -19.324 8.601 5.791 1.00 35.22 H new ATOM 0 HG3 LYS A 606 -19.866 7.675 7.177 1.00 35.22 H new ATOM 0 HD2 LYS A 606 -18.471 8.937 8.687 1.00 71.11 H new ATOM 0 HD3 LYS A 606 -17.592 9.681 7.366 1.00 71.11 H new ATOM 0 HE2 LYS A 606 -19.117 11.349 8.096 1.00 23.11 H new ATOM 0 HE3 LYS A 606 -19.816 10.716 6.619 1.00 23.11 H new ATOM 0 HZ1 LYS A 606 -21.475 10.932 8.351 1.00 21.35 H new ATOM 0 HZ2 LYS A 606 -21.268 9.296 7.947 1.00 21.35 H new ATOM 0 HZ3 LYS A 606 -20.591 9.909 9.378 1.00 21.35 H new ATOM 106 N CYS A 607 -16.467 4.317 6.009 1.00 43.34 N ATOM 107 CA CYS A 607 -15.349 3.581 5.428 1.00 44.52 C ATOM 108 C CYS A 607 -15.843 2.364 4.655 1.00 70.14 C ATOM 109 O CYS A 607 -16.285 1.377 5.244 1.00 4.41 O ATOM 110 CB CYS A 607 -14.375 3.145 6.523 1.00 73.45 C ATOM 111 SG CYS A 607 -13.459 4.506 7.282 1.00 2.53 S ATOM 0 H CYS A 607 -16.606 4.155 7.006 1.00 43.34 H new ATOM 0 HA CYS A 607 -14.831 4.243 4.734 1.00 44.52 H new ATOM 0 HB2 CYS A 607 -14.930 2.618 7.299 1.00 73.45 H new ATOM 0 HB3 CYS A 607 -13.665 2.434 6.100 1.00 73.45 H new ATOM 0 HG CYS A 607 -14.207 5.090 8.170 1.00 2.53 H new ATOM 117 N LYS A 608 -15.768 2.440 3.330 1.00 33.11 N ATOM 118 CA LYS A 608 -16.208 1.345 2.474 1.00 10.10 C ATOM 119 C LYS A 608 -15.044 0.418 2.134 1.00 11.25 C ATOM 120 O LYS A 608 -13.878 0.812 2.163 1.00 21.31 O ATOM 121 CB LYS A 608 -16.829 1.894 1.187 1.00 62.41 C ATOM 122 CG LYS A 608 -18.174 2.566 1.399 1.00 2.02 C ATOM 123 CD LYS A 608 -19.190 1.606 1.994 1.00 30.44 C ATOM 124 CE LYS A 608 -20.602 2.163 1.903 1.00 34.11 C ATOM 125 NZ LYS A 608 -21.500 1.271 1.117 1.00 50.33 N ATOM 0 H LYS A 608 -15.406 3.250 2.826 1.00 33.11 H new ATOM 0 HA LYS A 608 -16.959 0.772 3.017 1.00 10.10 H new ATOM 0 HB2 LYS A 608 -16.141 2.611 0.739 1.00 62.41 H new ATOM 0 HB3 LYS A 608 -16.948 1.078 0.474 1.00 62.41 H new ATOM 0 HG2 LYS A 608 -18.053 3.424 2.060 1.00 2.02 H new ATOM 0 HG3 LYS A 608 -18.546 2.946 0.448 1.00 2.02 H new ATOM 0 HD2 LYS A 608 -19.140 0.651 1.471 1.00 30.44 H new ATOM 0 HD3 LYS A 608 -18.941 1.411 3.037 1.00 30.44 H new ATOM 0 HE2 LYS A 608 -21.007 2.293 2.907 1.00 34.11 H new ATOM 0 HE3 LYS A 608 -20.574 3.150 1.440 1.00 34.11 H new ATOM 0 HZ1 LYS A 608 -22.453 1.685 1.078 1.00 50.33 H new ATOM 0 HZ2 LYS A 608 -21.128 1.167 0.151 1.00 50.33 H new ATOM 0 HZ3 LYS A 608 -21.547 0.337 1.572 1.00 50.33 H new ATOM 139 N PRO A 609 -15.366 -0.841 1.805 1.00 32.42 N ATOM 140 CA PRO A 609 -14.362 -1.849 1.453 1.00 23.41 C ATOM 141 C PRO A 609 -13.701 -1.563 0.109 1.00 12.22 C ATOM 142 O PRO A 609 -14.232 -0.809 -0.707 1.00 23.32 O ATOM 143 CB PRO A 609 -15.170 -3.148 1.385 1.00 14.13 C ATOM 144 CG PRO A 609 -16.561 -2.712 1.078 1.00 21.34 C ATOM 145 CD PRO A 609 -16.736 -1.379 1.751 1.00 31.04 C ATOM 0 HA PRO A 609 -13.544 -1.877 2.173 1.00 23.41 H new ATOM 0 HB2 PRO A 609 -14.784 -3.814 0.613 1.00 14.13 H new ATOM 0 HB3 PRO A 609 -15.125 -3.693 2.328 1.00 14.13 H new ATOM 0 HG2 PRO A 609 -16.715 -2.629 0.002 1.00 21.34 H new ATOM 0 HG3 PRO A 609 -17.287 -3.435 1.449 1.00 21.34 H new ATOM 0 HD2 PRO A 609 -17.401 -0.727 1.185 1.00 31.04 H new ATOM 0 HD3 PRO A 609 -17.165 -1.485 2.747 1.00 31.04 H new ATOM 153 N MET A 610 -12.540 -2.169 -0.115 1.00 53.13 N ATOM 154 CA MET A 610 -11.808 -1.980 -1.363 1.00 32.23 C ATOM 155 C MET A 610 -11.640 -3.305 -2.101 1.00 24.13 C ATOM 156 O MET A 610 -10.852 -4.158 -1.692 1.00 61.00 O ATOM 157 CB MET A 610 -10.437 -1.360 -1.085 1.00 50.42 C ATOM 158 CG MET A 610 -10.505 -0.071 -0.282 1.00 75.03 C ATOM 159 SD MET A 610 -10.917 1.360 -1.300 1.00 3.44 S ATOM 160 CE MET A 610 -9.512 1.402 -2.410 1.00 3.23 C ATOM 0 H MET A 610 -12.086 -2.795 0.550 1.00 53.13 H new ATOM 0 HA MET A 610 -12.384 -1.304 -1.995 1.00 32.23 H new ATOM 0 HB2 MET A 610 -9.823 -2.082 -0.547 1.00 50.42 H new ATOM 0 HB3 MET A 610 -9.938 -1.162 -2.033 1.00 50.42 H new ATOM 0 HG2 MET A 610 -11.250 -0.178 0.507 1.00 75.03 H new ATOM 0 HG3 MET A 610 -9.546 0.099 0.206 1.00 75.03 H new ATOM 0 HE1 MET A 610 -9.021 2.373 -2.339 1.00 3.23 H new ATOM 0 HE2 MET A 610 -8.807 0.618 -2.134 1.00 3.23 H new ATOM 0 HE3 MET A 610 -9.852 1.241 -3.433 1.00 3.23 H new ATOM 170 N SER A 611 -12.385 -3.470 -3.188 1.00 64.05 N ATOM 171 CA SER A 611 -12.321 -4.692 -3.980 1.00 72.41 C ATOM 172 C SER A 611 -10.907 -4.925 -4.505 1.00 70.44 C ATOM 173 O SER A 611 -10.123 -3.987 -4.648 1.00 33.01 O ATOM 174 CB SER A 611 -13.306 -4.620 -5.149 1.00 70.43 C ATOM 175 OG SER A 611 -14.631 -4.869 -4.715 1.00 31.53 O ATOM 0 H SER A 611 -13.040 -2.773 -3.541 1.00 64.05 H new ATOM 0 HA SER A 611 -12.594 -5.528 -3.336 1.00 72.41 H new ATOM 0 HB2 SER A 611 -13.251 -3.636 -5.615 1.00 70.43 H new ATOM 0 HB3 SER A 611 -13.026 -5.349 -5.910 1.00 70.43 H new ATOM 0 HG SER A 611 -15.241 -4.816 -5.480 1.00 31.53 H new ATOM 181 N TYR A 612 -10.589 -6.183 -4.791 1.00 74.03 N ATOM 182 CA TYR A 612 -9.270 -6.542 -5.299 1.00 73.52 C ATOM 183 C TYR A 612 -8.895 -5.679 -6.500 1.00 32.21 C ATOM 184 O TYR A 612 -7.732 -5.321 -6.680 1.00 50.03 O ATOM 185 CB TYR A 612 -9.236 -8.021 -5.689 1.00 32.54 C ATOM 186 CG TYR A 612 -10.444 -8.467 -6.482 1.00 43.01 C ATOM 187 CD1 TYR A 612 -10.511 -8.262 -7.855 1.00 43.13 C ATOM 188 CD2 TYR A 612 -11.516 -9.093 -5.860 1.00 31.44 C ATOM 189 CE1 TYR A 612 -11.612 -8.667 -8.584 1.00 14.32 C ATOM 190 CE2 TYR A 612 -12.621 -9.502 -6.581 1.00 71.14 C ATOM 191 CZ TYR A 612 -12.665 -9.287 -7.943 1.00 63.10 C ATOM 192 OH TYR A 612 -13.762 -9.692 -8.666 1.00 32.35 O ATOM 0 H TYR A 612 -11.227 -6.971 -4.680 1.00 74.03 H new ATOM 0 HA TYR A 612 -8.543 -6.365 -4.506 1.00 73.52 H new ATOM 0 HB2 TYR A 612 -8.337 -8.213 -6.274 1.00 32.54 H new ATOM 0 HB3 TYR A 612 -9.163 -8.625 -4.785 1.00 32.54 H new ATOM 0 HD1 TYR A 612 -9.688 -7.778 -8.360 1.00 43.13 H new ATOM 0 HD2 TYR A 612 -11.485 -9.263 -4.794 1.00 31.44 H new ATOM 0 HE1 TYR A 612 -11.649 -8.499 -9.650 1.00 14.32 H new ATOM 0 HE2 TYR A 612 -13.446 -9.988 -6.081 1.00 71.14 H new ATOM 0 HH TYR A 612 -14.413 -10.112 -8.065 1.00 32.35 H new ATOM 202 N GLU A 613 -9.890 -5.350 -7.317 1.00 53.43 N ATOM 203 CA GLU A 613 -9.666 -4.528 -8.501 1.00 61.51 C ATOM 204 C GLU A 613 -9.131 -3.153 -8.115 1.00 43.13 C ATOM 205 O GLU A 613 -8.154 -2.672 -8.690 1.00 73.35 O ATOM 206 CB GLU A 613 -10.963 -4.378 -9.299 1.00 41.11 C ATOM 207 CG GLU A 613 -10.838 -4.809 -10.751 1.00 11.44 C ATOM 208 CD GLU A 613 -12.119 -4.598 -11.534 1.00 63.41 C ATOM 209 OE1 GLU A 613 -13.133 -4.209 -10.919 1.00 75.43 O ATOM 210 OE2 GLU A 613 -12.106 -4.823 -12.762 1.00 62.40 O ATOM 0 H GLU A 613 -10.859 -5.640 -7.181 1.00 53.43 H new ATOM 0 HA GLU A 613 -8.922 -5.027 -9.122 1.00 61.51 H new ATOM 0 HB2 GLU A 613 -11.745 -4.968 -8.820 1.00 41.11 H new ATOM 0 HB3 GLU A 613 -11.283 -3.337 -9.264 1.00 41.11 H new ATOM 0 HG2 GLU A 613 -10.031 -4.249 -11.224 1.00 11.44 H new ATOM 0 HG3 GLU A 613 -10.561 -5.863 -10.791 1.00 11.44 H new ATOM 217 N GLU A 614 -9.777 -2.525 -7.139 1.00 30.15 N ATOM 218 CA GLU A 614 -9.367 -1.204 -6.677 1.00 71.02 C ATOM 219 C GLU A 614 -7.920 -1.221 -6.195 1.00 2.24 C ATOM 220 O GLU A 614 -7.070 -0.499 -6.717 1.00 12.20 O ATOM 221 CB GLU A 614 -10.286 -0.725 -5.552 1.00 53.40 C ATOM 222 CG GLU A 614 -11.193 0.425 -5.954 1.00 54.44 C ATOM 223 CD GLU A 614 -12.559 -0.044 -6.417 1.00 71.22 C ATOM 224 OE1 GLU A 614 -12.699 -1.246 -6.728 1.00 51.23 O ATOM 225 OE2 GLU A 614 -13.487 0.789 -6.469 1.00 53.22 O ATOM 0 H GLU A 614 -10.587 -2.909 -6.652 1.00 30.15 H new ATOM 0 HA GLU A 614 -9.443 -0.514 -7.517 1.00 71.02 H new ATOM 0 HB2 GLU A 614 -10.900 -1.560 -5.216 1.00 53.40 H new ATOM 0 HB3 GLU A 614 -9.676 -0.416 -4.703 1.00 53.40 H new ATOM 0 HG2 GLU A 614 -11.313 1.101 -5.108 1.00 54.44 H new ATOM 0 HG3 GLU A 614 -10.719 0.995 -6.753 1.00 54.44 H new ATOM 232 N LYS A 615 -7.646 -2.051 -5.194 1.00 4.41 N ATOM 233 CA LYS A 615 -6.303 -2.164 -4.639 1.00 65.32 C ATOM 234 C LYS A 615 -5.311 -2.619 -5.705 1.00 24.51 C ATOM 235 O LYS A 615 -4.145 -2.221 -5.693 1.00 33.42 O ATOM 236 CB LYS A 615 -6.294 -3.148 -3.466 1.00 74.14 C ATOM 237 CG LYS A 615 -6.920 -4.492 -3.795 1.00 23.22 C ATOM 238 CD LYS A 615 -6.861 -5.439 -2.609 1.00 63.32 C ATOM 239 CE LYS A 615 -8.243 -5.695 -2.029 1.00 2.35 C ATOM 240 NZ LYS A 615 -8.413 -7.110 -1.600 1.00 1.03 N ATOM 0 H LYS A 615 -8.337 -2.656 -4.750 1.00 4.41 H new ATOM 0 HA LYS A 615 -6.001 -1.180 -4.282 1.00 65.32 H new ATOM 0 HB2 LYS A 615 -5.265 -3.305 -3.143 1.00 74.14 H new ATOM 0 HB3 LYS A 615 -6.828 -2.704 -2.626 1.00 74.14 H new ATOM 0 HG2 LYS A 615 -7.958 -4.347 -4.095 1.00 23.22 H new ATOM 0 HG3 LYS A 615 -6.402 -4.938 -4.644 1.00 23.22 H new ATOM 0 HD2 LYS A 615 -6.415 -6.384 -2.919 1.00 63.32 H new ATOM 0 HD3 LYS A 615 -6.214 -5.019 -1.839 1.00 63.32 H new ATOM 0 HE2 LYS A 615 -8.407 -5.035 -1.177 1.00 2.35 H new ATOM 0 HE3 LYS A 615 -9.000 -5.448 -2.773 1.00 2.35 H new ATOM 0 HZ1 LYS A 615 -9.368 -7.242 -1.211 1.00 1.03 H new ATOM 0 HZ2 LYS A 615 -8.282 -7.739 -2.418 1.00 1.03 H new ATOM 0 HZ3 LYS A 615 -7.707 -7.339 -0.871 1.00 1.03 H new ATOM 254 N ARG A 616 -5.780 -3.455 -6.626 1.00 73.30 N ATOM 255 CA ARG A 616 -4.934 -3.964 -7.699 1.00 75.12 C ATOM 256 C ARG A 616 -4.217 -2.822 -8.413 1.00 32.44 C ATOM 257 O ARG A 616 -3.040 -2.935 -8.757 1.00 34.13 O ATOM 258 CB ARG A 616 -5.771 -4.761 -8.702 1.00 31.10 C ATOM 259 CG ARG A 616 -5.372 -4.526 -10.150 1.00 34.13 C ATOM 260 CD ARG A 616 -3.985 -5.075 -10.442 1.00 63.00 C ATOM 261 NE ARG A 616 -3.982 -5.967 -11.599 1.00 12.45 N ATOM 262 CZ ARG A 616 -2.913 -6.645 -12.002 1.00 12.53 C ATOM 263 NH1 ARG A 616 -1.767 -6.533 -11.344 1.00 21.12 N ATOM 264 NH2 ARG A 616 -2.989 -7.437 -13.064 1.00 3.51 N ATOM 0 H ARG A 616 -6.742 -3.794 -6.651 1.00 73.30 H new ATOM 0 HA ARG A 616 -4.185 -4.621 -7.257 1.00 75.12 H new ATOM 0 HB2 ARG A 616 -5.679 -5.823 -8.476 1.00 31.10 H new ATOM 0 HB3 ARG A 616 -6.821 -4.498 -8.576 1.00 31.10 H new ATOM 0 HG2 ARG A 616 -6.098 -5.000 -10.810 1.00 34.13 H new ATOM 0 HG3 ARG A 616 -5.394 -3.458 -10.366 1.00 34.13 H new ATOM 0 HD2 ARG A 616 -3.298 -4.248 -10.620 1.00 63.00 H new ATOM 0 HD3 ARG A 616 -3.617 -5.613 -9.568 1.00 63.00 H new ATOM 0 HE ARG A 616 -4.848 -6.075 -12.126 1.00 12.45 H new ATOM 0 HH11 ARG A 616 -1.705 -5.926 -10.527 1.00 21.12 H new ATOM 0 HH12 ARG A 616 -0.947 -7.054 -11.655 1.00 21.12 H new ATOM 0 HH21 ARG A 616 -3.869 -7.526 -13.572 1.00 3.51 H new ATOM 0 HH22 ARG A 616 -2.167 -7.957 -13.372 1.00 3.51 H new ATOM 278 N GLN A 617 -4.934 -1.724 -8.632 1.00 65.22 N ATOM 279 CA GLN A 617 -4.365 -0.564 -9.307 1.00 51.51 C ATOM 280 C GLN A 617 -3.393 0.175 -8.392 1.00 14.41 C ATOM 281 O GLN A 617 -2.415 0.765 -8.854 1.00 73.55 O ATOM 282 CB GLN A 617 -5.476 0.384 -9.761 1.00 51.31 C ATOM 283 CG GLN A 617 -4.963 1.711 -10.298 1.00 10.05 C ATOM 284 CD GLN A 617 -4.090 1.545 -11.526 1.00 15.32 C ATOM 285 OE1 GLN A 617 -3.962 0.447 -12.067 1.00 20.24 O ATOM 286 NE2 GLN A 617 -3.486 2.638 -11.975 1.00 3.52 N ATOM 0 H GLN A 617 -5.909 -1.614 -8.352 1.00 65.22 H new ATOM 0 HA GLN A 617 -3.817 -0.916 -10.181 1.00 51.51 H new ATOM 0 HB2 GLN A 617 -6.068 -0.107 -10.534 1.00 51.31 H new ATOM 0 HB3 GLN A 617 -6.144 0.575 -8.921 1.00 51.31 H new ATOM 0 HG2 GLN A 617 -5.810 2.351 -10.543 1.00 10.05 H new ATOM 0 HG3 GLN A 617 -4.395 2.219 -9.519 1.00 10.05 H new ATOM 0 HE21 GLN A 617 -3.620 3.528 -11.496 1.00 3.52 H new ATOM 0 HE22 GLN A 617 -2.888 2.588 -12.800 1.00 3.52 H new ATOM 295 N LEU A 618 -3.669 0.140 -7.093 1.00 64.10 N ATOM 296 CA LEU A 618 -2.818 0.806 -6.112 1.00 50.54 C ATOM 297 C LEU A 618 -1.426 0.184 -6.086 1.00 72.30 C ATOM 298 O LEU A 618 -0.418 0.891 -6.096 1.00 35.44 O ATOM 299 CB LEU A 618 -3.452 0.728 -4.723 1.00 5.05 C ATOM 300 CG LEU A 618 -4.444 1.837 -4.374 1.00 23.14 C ATOM 301 CD1 LEU A 618 -5.339 2.147 -5.563 1.00 3.23 C ATOM 302 CD2 LEU A 618 -5.280 1.443 -3.164 1.00 41.41 C ATOM 0 H LEU A 618 -4.475 -0.342 -6.694 1.00 64.10 H new ATOM 0 HA LEU A 618 -2.721 1.852 -6.402 1.00 50.54 H new ATOM 0 HB2 LEU A 618 -3.963 -0.231 -4.632 1.00 5.05 H new ATOM 0 HB3 LEU A 618 -2.654 0.735 -3.981 1.00 5.05 H new ATOM 0 HG LEU A 618 -3.881 2.736 -4.125 1.00 23.14 H new ATOM 0 HD11 LEU A 618 -6.038 2.939 -5.295 1.00 3.23 H new ATOM 0 HD12 LEU A 618 -4.727 2.473 -6.404 1.00 3.23 H new ATOM 0 HD13 LEU A 618 -5.894 1.252 -5.844 1.00 3.23 H new ATOM 0 HD21 LEU A 618 -5.981 2.244 -2.930 1.00 41.41 H new ATOM 0 HD22 LEU A 618 -5.833 0.530 -3.386 1.00 41.41 H new ATOM 0 HD23 LEU A 618 -4.625 1.272 -2.309 1.00 41.41 H new ATOM 314 N SER A 619 -1.378 -1.145 -6.056 1.00 14.34 N ATOM 315 CA SER A 619 -0.109 -1.863 -6.026 1.00 14.24 C ATOM 316 C SER A 619 0.758 -1.483 -7.222 1.00 73.23 C ATOM 317 O SER A 619 1.931 -1.139 -7.069 1.00 72.24 O ATOM 318 CB SER A 619 -0.354 -3.373 -6.018 1.00 0.21 C ATOM 319 OG SER A 619 -1.580 -3.694 -6.653 1.00 72.01 O ATOM 0 H SER A 619 -2.203 -1.745 -6.052 1.00 14.34 H new ATOM 0 HA SER A 619 0.418 -1.583 -5.114 1.00 14.24 H new ATOM 0 HB2 SER A 619 0.466 -3.880 -6.526 1.00 0.21 H new ATOM 0 HB3 SER A 619 -0.367 -3.737 -4.991 1.00 0.21 H new ATOM 0 HG SER A 619 -1.667 -3.173 -7.479 1.00 72.01 H new ATOM 325 N LEU A 620 0.173 -1.548 -8.414 1.00 15.54 N ATOM 326 CA LEU A 620 0.890 -1.211 -9.637 1.00 43.44 C ATOM 327 C LEU A 620 1.220 0.278 -9.684 1.00 62.43 C ATOM 328 O LEU A 620 2.381 0.662 -9.820 1.00 52.40 O ATOM 329 CB LEU A 620 0.060 -1.599 -10.862 1.00 52.22 C ATOM 330 CG LEU A 620 0.523 -1.019 -12.199 1.00 50.44 C ATOM 331 CD1 LEU A 620 0.886 -2.133 -13.168 1.00 72.33 C ATOM 332 CD2 LEU A 620 -0.553 -0.122 -12.793 1.00 72.22 C ATOM 0 H LEU A 620 -0.796 -1.831 -8.558 1.00 15.54 H new ATOM 0 HA LEU A 620 1.825 -1.772 -9.646 1.00 43.44 H new ATOM 0 HB2 LEU A 620 0.055 -2.686 -10.943 1.00 52.22 H new ATOM 0 HB3 LEU A 620 -0.970 -1.287 -10.691 1.00 52.22 H new ATOM 0 HG LEU A 620 1.413 -0.416 -12.022 1.00 50.44 H new ATOM 0 HD11 LEU A 620 1.213 -1.701 -14.114 1.00 72.33 H new ATOM 0 HD12 LEU A 620 1.691 -2.734 -12.746 1.00 72.33 H new ATOM 0 HD13 LEU A 620 0.014 -2.764 -13.340 1.00 72.33 H new ATOM 0 HD21 LEU A 620 -0.206 0.282 -13.744 1.00 72.22 H new ATOM 0 HD22 LEU A 620 -1.462 -0.702 -12.955 1.00 72.22 H new ATOM 0 HD23 LEU A 620 -0.763 0.698 -12.106 1.00 72.22 H new ATOM 344 N ASP A 621 0.191 1.110 -9.567 1.00 22.40 N ATOM 345 CA ASP A 621 0.371 2.557 -9.592 1.00 3.13 C ATOM 346 C ASP A 621 1.457 2.986 -8.611 1.00 61.22 C ATOM 347 O ASP A 621 2.445 3.611 -8.998 1.00 63.52 O ATOM 348 CB ASP A 621 -0.944 3.262 -9.256 1.00 53.12 C ATOM 349 CG ASP A 621 -0.924 4.731 -9.628 1.00 53.05 C ATOM 350 OD1 ASP A 621 0.165 5.245 -9.955 1.00 10.30 O ATOM 351 OD2 ASP A 621 -1.999 5.367 -9.591 1.00 4.41 O ATOM 0 H ASP A 621 -0.776 0.807 -9.454 1.00 22.40 H new ATOM 0 HA ASP A 621 0.681 2.843 -10.597 1.00 3.13 H new ATOM 0 HB2 ASP A 621 -1.762 2.768 -9.781 1.00 53.12 H new ATOM 0 HB3 ASP A 621 -1.144 3.163 -8.189 1.00 53.12 H new ATOM 356 N ILE A 622 1.267 2.648 -7.340 1.00 73.30 N ATOM 357 CA ILE A 622 2.230 2.999 -6.304 1.00 61.44 C ATOM 358 C ILE A 622 3.610 2.433 -6.623 1.00 43.52 C ATOM 359 O ILE A 622 4.630 3.062 -6.341 1.00 73.41 O ATOM 360 CB ILE A 622 1.784 2.485 -4.923 1.00 60.41 C ATOM 361 CG1 ILE A 622 0.468 3.147 -4.509 1.00 33.44 C ATOM 362 CG2 ILE A 622 2.865 2.748 -3.885 1.00 63.23 C ATOM 363 CD1 ILE A 622 -0.250 2.419 -3.394 1.00 73.42 C ATOM 0 H ILE A 622 0.455 2.131 -7.003 1.00 73.30 H new ATOM 0 HA ILE A 622 2.283 4.087 -6.278 1.00 61.44 H new ATOM 0 HB ILE A 622 1.623 1.409 -4.987 1.00 60.41 H new ATOM 0 HG12 ILE A 622 0.669 4.171 -4.193 1.00 33.44 H new ATOM 0 HG13 ILE A 622 -0.189 3.205 -5.377 1.00 33.44 H new ATOM 0 HG21 ILE A 622 2.535 2.379 -2.914 1.00 63.23 H new ATOM 0 HG22 ILE A 622 3.781 2.234 -4.176 1.00 63.23 H new ATOM 0 HG23 ILE A 622 3.055 3.819 -3.821 1.00 63.23 H new ATOM 0 HD11 ILE A 622 -1.174 2.944 -3.152 1.00 73.42 H new ATOM 0 HD12 ILE A 622 -0.483 1.403 -3.713 1.00 73.42 H new ATOM 0 HD13 ILE A 622 0.389 2.384 -2.512 1.00 73.42 H new ATOM 375 N ASN A 623 3.634 1.244 -7.214 1.00 71.54 N ATOM 376 CA ASN A 623 4.889 0.593 -7.573 1.00 41.01 C ATOM 377 C ASN A 623 5.615 1.375 -8.664 1.00 11.32 C ATOM 378 O ASN A 623 6.834 1.539 -8.620 1.00 53.13 O ATOM 379 CB ASN A 623 4.629 -0.840 -8.044 1.00 45.41 C ATOM 380 CG ASN A 623 5.873 -1.496 -8.611 1.00 41.03 C ATOM 381 OD1 ASN A 623 6.993 -1.046 -8.368 1.00 32.12 O ATOM 382 ND2 ASN A 623 5.681 -2.566 -9.374 1.00 71.00 N ATOM 0 H ASN A 623 2.799 0.711 -7.455 1.00 71.54 H new ATOM 0 HA ASN A 623 5.522 0.567 -6.686 1.00 41.01 H new ATOM 0 HB2 ASN A 623 4.258 -1.433 -7.208 1.00 45.41 H new ATOM 0 HB3 ASN A 623 3.847 -0.834 -8.803 1.00 45.41 H new ATOM 0 HD21 ASN A 623 6.480 -3.049 -9.785 1.00 71.00 H new ATOM 0 HD22 ASN A 623 4.735 -2.904 -9.549 1.00 71.00 H new ATOM 389 N LYS A 624 4.856 1.856 -9.643 1.00 43.11 N ATOM 390 CA LYS A 624 5.424 2.623 -10.745 1.00 73.02 C ATOM 391 C LYS A 624 5.818 4.024 -10.288 1.00 22.43 C ATOM 392 O LYS A 624 6.741 4.630 -10.834 1.00 4.22 O ATOM 393 CB LYS A 624 4.423 2.716 -11.899 1.00 22.13 C ATOM 394 CG LYS A 624 5.038 2.446 -13.261 1.00 44.13 C ATOM 395 CD LYS A 624 5.022 3.690 -14.136 1.00 21.53 C ATOM 396 CE LYS A 624 5.555 3.396 -15.529 1.00 41.44 C ATOM 397 NZ LYS A 624 4.490 3.505 -16.565 1.00 41.22 N ATOM 0 H LYS A 624 3.845 1.728 -9.695 1.00 43.11 H new ATOM 0 HA LYS A 624 6.320 2.106 -11.089 1.00 73.02 H new ATOM 0 HB2 LYS A 624 3.616 2.004 -11.727 1.00 22.13 H new ATOM 0 HB3 LYS A 624 3.976 3.710 -11.902 1.00 22.13 H new ATOM 0 HG2 LYS A 624 6.064 2.101 -13.136 1.00 44.13 H new ATOM 0 HG3 LYS A 624 4.490 1.644 -13.756 1.00 44.13 H new ATOM 0 HD2 LYS A 624 4.004 4.073 -14.208 1.00 21.53 H new ATOM 0 HD3 LYS A 624 5.624 4.471 -13.672 1.00 21.53 H new ATOM 0 HE2 LYS A 624 6.362 4.090 -15.763 1.00 41.44 H new ATOM 0 HE3 LYS A 624 5.981 2.393 -15.551 1.00 41.44 H new ATOM 0 HZ1 LYS A 624 4.893 3.297 -17.501 1.00 41.22 H new ATOM 0 HZ2 LYS A 624 3.732 2.825 -16.356 1.00 41.22 H new ATOM 0 HZ3 LYS A 624 4.100 4.469 -16.562 1.00 41.22 H new ATOM 411 N LEU A 625 5.116 4.532 -9.281 1.00 11.10 N ATOM 412 CA LEU A 625 5.394 5.861 -8.748 1.00 72.12 C ATOM 413 C LEU A 625 6.840 5.967 -8.276 1.00 23.51 C ATOM 414 O LEU A 625 7.508 4.966 -8.012 1.00 51.42 O ATOM 415 CB LEU A 625 4.444 6.178 -7.592 1.00 62.31 C ATOM 416 CG LEU A 625 3.042 6.645 -7.984 1.00 33.13 C ATOM 417 CD1 LEU A 625 2.194 6.889 -6.746 1.00 31.44 C ATOM 418 CD2 LEU A 625 3.118 7.903 -8.836 1.00 44.14 C ATOM 0 H LEU A 625 4.350 4.044 -8.817 1.00 11.10 H new ATOM 0 HA LEU A 625 5.238 6.585 -9.547 1.00 72.12 H new ATOM 0 HB2 LEU A 625 4.348 5.287 -6.972 1.00 62.31 H new ATOM 0 HB3 LEU A 625 4.902 6.949 -6.973 1.00 62.31 H new ATOM 0 HG LEU A 625 2.570 5.859 -8.573 1.00 33.13 H new ATOM 0 HD11 LEU A 625 1.200 7.221 -7.046 1.00 31.44 H new ATOM 0 HD12 LEU A 625 2.111 5.965 -6.174 1.00 31.44 H new ATOM 0 HD13 LEU A 625 2.662 7.657 -6.130 1.00 31.44 H new ATOM 0 HD21 LEU A 625 2.111 8.221 -9.106 1.00 44.14 H new ATOM 0 HD22 LEU A 625 3.610 8.695 -8.272 1.00 44.14 H new ATOM 0 HD23 LEU A 625 3.688 7.695 -9.742 1.00 44.14 H new ATOM 430 N PRO A 626 7.338 7.207 -8.164 1.00 41.33 N ATOM 431 CA PRO A 626 8.709 7.474 -7.720 1.00 45.51 C ATOM 432 C PRO A 626 8.913 7.154 -6.244 1.00 22.45 C ATOM 433 O PRO A 626 7.950 7.002 -5.492 1.00 63.34 O ATOM 434 CB PRO A 626 8.878 8.975 -7.970 1.00 71.30 C ATOM 435 CG PRO A 626 7.495 9.525 -7.918 1.00 74.12 C ATOM 436 CD PRO A 626 6.599 8.447 -8.461 1.00 61.45 C ATOM 0 HA PRO A 626 9.435 6.856 -8.248 1.00 45.51 H new ATOM 0 HB2 PRO A 626 9.515 9.433 -7.213 1.00 71.30 H new ATOM 0 HB3 PRO A 626 9.344 9.165 -8.937 1.00 71.30 H new ATOM 0 HG2 PRO A 626 7.217 9.786 -6.897 1.00 74.12 H new ATOM 0 HG3 PRO A 626 7.415 10.435 -8.512 1.00 74.12 H new ATOM 0 HD2 PRO A 626 5.621 8.457 -7.980 1.00 61.45 H new ATOM 0 HD3 PRO A 626 6.429 8.567 -9.531 1.00 61.45 H new ATOM 444 N GLY A 627 10.174 7.053 -5.833 1.00 44.01 N ATOM 445 CA GLY A 627 10.481 6.752 -4.447 1.00 15.24 C ATOM 446 C GLY A 627 9.757 7.668 -3.480 1.00 65.24 C ATOM 447 O GLY A 627 9.041 7.204 -2.595 1.00 33.45 O ATOM 0 H GLY A 627 10.988 7.174 -6.435 1.00 44.01 H new ATOM 0 HA2 GLY A 627 10.210 5.718 -4.235 1.00 15.24 H new ATOM 0 HA3 GLY A 627 11.556 6.839 -4.289 1.00 15.24 H new ATOM 451 N GLU A 628 9.946 8.973 -3.650 1.00 10.13 N ATOM 452 CA GLU A 628 9.307 9.956 -2.783 1.00 21.35 C ATOM 453 C GLU A 628 7.813 9.677 -2.653 1.00 73.41 C ATOM 454 O GLU A 628 7.231 9.831 -1.578 1.00 61.43 O ATOM 455 CB GLU A 628 9.528 11.369 -3.327 1.00 75.14 C ATOM 456 CG GLU A 628 9.004 12.463 -2.412 1.00 24.54 C ATOM 457 CD GLU A 628 9.822 12.601 -1.143 1.00 3.52 C ATOM 458 OE1 GLU A 628 10.893 13.243 -1.194 1.00 21.54 O ATOM 459 OE2 GLU A 628 9.392 12.069 -0.098 1.00 72.43 O ATOM 0 H GLU A 628 10.536 9.374 -4.379 1.00 10.13 H new ATOM 0 HA GLU A 628 9.760 9.880 -1.795 1.00 21.35 H new ATOM 0 HB2 GLU A 628 10.595 11.524 -3.490 1.00 75.14 H new ATOM 0 HB3 GLU A 628 9.041 11.455 -4.298 1.00 75.14 H new ATOM 0 HG2 GLU A 628 9.007 13.412 -2.947 1.00 24.54 H new ATOM 0 HG3 GLU A 628 7.968 12.248 -2.151 1.00 24.54 H new ATOM 466 N LYS A 629 7.196 9.264 -3.755 1.00 73.41 N ATOM 467 CA LYS A 629 5.769 8.961 -3.766 1.00 4.23 C ATOM 468 C LYS A 629 5.471 7.715 -2.940 1.00 22.24 C ATOM 469 O LYS A 629 4.463 7.651 -2.234 1.00 42.22 O ATOM 470 CB LYS A 629 5.280 8.764 -5.203 1.00 22.41 C ATOM 471 CG LYS A 629 4.631 9.999 -5.800 1.00 75.10 C ATOM 472 CD LYS A 629 3.381 10.398 -5.033 1.00 5.30 C ATOM 473 CE LYS A 629 3.364 11.889 -4.731 1.00 31.52 C ATOM 474 NZ LYS A 629 4.029 12.200 -3.436 1.00 12.35 N ATOM 0 H LYS A 629 7.662 9.131 -4.653 1.00 73.41 H new ATOM 0 HA LYS A 629 5.240 9.804 -3.321 1.00 4.23 H new ATOM 0 HB2 LYS A 629 6.123 8.469 -5.827 1.00 22.41 H new ATOM 0 HB3 LYS A 629 4.565 7.942 -5.225 1.00 22.41 H new ATOM 0 HG2 LYS A 629 5.343 10.825 -5.793 1.00 75.10 H new ATOM 0 HG3 LYS A 629 4.374 9.809 -6.842 1.00 75.10 H new ATOM 0 HD2 LYS A 629 2.497 10.133 -5.613 1.00 5.30 H new ATOM 0 HD3 LYS A 629 3.330 9.836 -4.100 1.00 5.30 H new ATOM 0 HE2 LYS A 629 3.865 12.428 -5.535 1.00 31.52 H new ATOM 0 HE3 LYS A 629 2.333 12.242 -4.704 1.00 31.52 H new ATOM 0 HZ1 LYS A 629 3.937 13.216 -3.234 1.00 12.35 H new ATOM 0 HZ2 LYS A 629 3.579 11.653 -2.674 1.00 12.35 H new ATOM 0 HZ3 LYS A 629 5.036 11.948 -3.494 1.00 12.35 H new ATOM 488 N LEU A 630 6.353 6.726 -3.031 1.00 25.43 N ATOM 489 CA LEU A 630 6.185 5.481 -2.290 1.00 30.45 C ATOM 490 C LEU A 630 6.407 5.701 -0.797 1.00 34.30 C ATOM 491 O LEU A 630 5.608 5.263 0.031 1.00 53.53 O ATOM 492 CB LEU A 630 7.156 4.420 -2.809 1.00 64.42 C ATOM 493 CG LEU A 630 6.839 2.973 -2.427 1.00 71.01 C ATOM 494 CD1 LEU A 630 6.487 2.159 -3.662 1.00 73.03 C ATOM 495 CD2 LEU A 630 8.013 2.346 -1.690 1.00 12.24 C ATOM 0 H LEU A 630 7.192 6.762 -3.610 1.00 25.43 H new ATOM 0 HA LEU A 630 5.163 5.134 -2.440 1.00 30.45 H new ATOM 0 HB2 LEU A 630 7.190 4.488 -3.896 1.00 64.42 H new ATOM 0 HB3 LEU A 630 8.154 4.660 -2.444 1.00 64.42 H new ATOM 0 HG LEU A 630 5.977 2.975 -1.761 1.00 71.01 H new ATOM 0 HD11 LEU A 630 6.265 1.133 -3.370 1.00 73.03 H new ATOM 0 HD12 LEU A 630 5.614 2.595 -4.149 1.00 73.03 H new ATOM 0 HD13 LEU A 630 7.329 2.165 -4.354 1.00 73.03 H new ATOM 0 HD21 LEU A 630 7.769 1.317 -1.426 1.00 12.24 H new ATOM 0 HD22 LEU A 630 8.894 2.357 -2.332 1.00 12.24 H new ATOM 0 HD23 LEU A 630 8.218 2.914 -0.783 1.00 12.24 H new ATOM 507 N GLY A 631 7.496 6.384 -0.459 1.00 51.45 N ATOM 508 CA GLY A 631 7.801 6.652 0.933 1.00 3.10 C ATOM 509 C GLY A 631 6.590 7.126 1.712 1.00 30.53 C ATOM 510 O GLY A 631 6.356 6.683 2.837 1.00 13.51 O ATOM 0 H GLY A 631 8.173 6.757 -1.125 1.00 51.45 H new ATOM 0 HA2 GLY A 631 8.195 5.747 1.396 1.00 3.10 H new ATOM 0 HA3 GLY A 631 8.585 7.407 0.991 1.00 3.10 H new ATOM 514 N ARG A 632 5.820 8.028 1.114 1.00 51.32 N ATOM 515 CA ARG A 632 4.628 8.565 1.760 1.00 65.31 C ATOM 516 C ARG A 632 3.563 7.483 1.919 1.00 41.13 C ATOM 517 O ARG A 632 2.976 7.328 2.990 1.00 5.11 O ATOM 518 CB ARG A 632 4.065 9.735 0.951 1.00 64.52 C ATOM 519 CG ARG A 632 4.511 11.096 1.458 1.00 24.23 C ATOM 520 CD ARG A 632 5.228 11.887 0.375 1.00 62.41 C ATOM 521 NE ARG A 632 5.528 13.251 0.801 1.00 15.51 N ATOM 522 CZ ARG A 632 5.788 14.244 -0.042 1.00 14.42 C ATOM 523 NH1 ARG A 632 5.784 14.025 -1.350 1.00 41.42 N ATOM 524 NH2 ARG A 632 6.050 15.459 0.422 1.00 64.32 N ATOM 0 H ARG A 632 6.000 8.403 0.183 1.00 51.32 H new ATOM 0 HA ARG A 632 4.911 8.921 2.750 1.00 65.31 H new ATOM 0 HB2 ARG A 632 4.370 9.626 -0.090 1.00 64.52 H new ATOM 0 HB3 ARG A 632 2.976 9.688 0.970 1.00 64.52 H new ATOM 0 HG2 ARG A 632 3.644 11.657 1.806 1.00 24.23 H new ATOM 0 HG3 ARG A 632 5.173 10.967 2.314 1.00 24.23 H new ATOM 0 HD2 ARG A 632 6.155 11.379 0.108 1.00 62.41 H new ATOM 0 HD3 ARG A 632 4.610 11.915 -0.522 1.00 62.41 H new ATOM 0 HE ARG A 632 5.538 13.452 1.801 1.00 15.51 H new ATOM 0 HH11 ARG A 632 5.581 13.093 -1.710 1.00 41.42 H new ATOM 0 HH12 ARG A 632 5.984 14.789 -1.996 1.00 41.42 H new ATOM 0 HH21 ARG A 632 6.052 15.632 1.427 1.00 64.32 H new ATOM 0 HH22 ARG A 632 6.249 16.221 -0.227 1.00 64.32 H new ATOM 538 N VAL A 633 3.319 6.739 0.845 1.00 13.00 N ATOM 539 CA VAL A 633 2.325 5.672 0.865 1.00 11.14 C ATOM 540 C VAL A 633 2.670 4.619 1.913 1.00 74.14 C ATOM 541 O VAL A 633 1.894 4.367 2.835 1.00 13.50 O ATOM 542 CB VAL A 633 2.205 4.991 -0.512 1.00 1.35 C ATOM 543 CG1 VAL A 633 1.072 3.976 -0.508 1.00 13.24 C ATOM 544 CG2 VAL A 633 1.998 6.030 -1.603 1.00 40.43 C ATOM 0 H VAL A 633 3.796 6.855 -0.049 1.00 13.00 H new ATOM 0 HA VAL A 633 1.370 6.133 1.118 1.00 11.14 H new ATOM 0 HB VAL A 633 3.135 4.461 -0.719 1.00 1.35 H new ATOM 0 HG11 VAL A 633 1.002 3.505 -1.488 1.00 13.24 H new ATOM 0 HG12 VAL A 633 1.268 3.215 0.247 1.00 13.24 H new ATOM 0 HG13 VAL A 633 0.133 4.480 -0.280 1.00 13.24 H new ATOM 0 HG21 VAL A 633 1.915 5.532 -2.569 1.00 40.43 H new ATOM 0 HG22 VAL A 633 1.084 6.590 -1.404 1.00 40.43 H new ATOM 0 HG23 VAL A 633 2.846 6.714 -1.619 1.00 40.43 H new ATOM 554 N VAL A 634 3.840 4.006 1.765 1.00 52.32 N ATOM 555 CA VAL A 634 4.289 2.981 2.699 1.00 42.33 C ATOM 556 C VAL A 634 4.209 3.476 4.139 1.00 71.23 C ATOM 557 O VAL A 634 3.933 2.703 5.057 1.00 4.10 O ATOM 558 CB VAL A 634 5.736 2.543 2.398 1.00 55.21 C ATOM 559 CG1 VAL A 634 6.084 1.281 3.173 1.00 73.23 C ATOM 560 CG2 VAL A 634 5.928 2.332 0.904 1.00 3.30 C ATOM 0 H VAL A 634 4.494 4.202 1.007 1.00 52.32 H new ATOM 0 HA VAL A 634 3.624 2.126 2.574 1.00 42.33 H new ATOM 0 HB VAL A 634 6.412 3.335 2.719 1.00 55.21 H new ATOM 0 HG11 VAL A 634 7.109 0.987 2.948 1.00 73.23 H new ATOM 0 HG12 VAL A 634 5.988 1.472 4.242 1.00 73.23 H new ATOM 0 HG13 VAL A 634 5.405 0.478 2.885 1.00 73.23 H new ATOM 0 HG21 VAL A 634 6.955 2.023 0.709 1.00 3.30 H new ATOM 0 HG22 VAL A 634 5.244 1.558 0.555 1.00 3.30 H new ATOM 0 HG23 VAL A 634 5.723 3.263 0.376 1.00 3.30 H new ATOM 570 N HIS A 635 4.449 4.769 4.328 1.00 32.01 N ATOM 571 CA HIS A 635 4.402 5.368 5.657 1.00 21.23 C ATOM 572 C HIS A 635 2.995 5.287 6.241 1.00 71.02 C ATOM 573 O HIS A 635 2.819 5.222 7.457 1.00 4.53 O ATOM 574 CB HIS A 635 4.859 6.826 5.599 1.00 44.21 C ATOM 575 CG HIS A 635 5.035 7.453 6.948 1.00 34.33 C ATOM 576 ND1 HIS A 635 6.241 7.476 7.616 1.00 13.11 N ATOM 577 CD2 HIS A 635 4.148 8.084 7.753 1.00 2.00 C ATOM 578 CE1 HIS A 635 6.088 8.092 8.775 1.00 14.12 C ATOM 579 NE2 HIS A 635 4.827 8.471 8.882 1.00 11.43 N ATOM 0 H HIS A 635 4.678 5.422 3.579 1.00 32.01 H new ATOM 0 HA HIS A 635 5.077 4.808 6.304 1.00 21.23 H new ATOM 0 HB2 HIS A 635 5.803 6.881 5.056 1.00 44.21 H new ATOM 0 HB3 HIS A 635 4.130 7.404 5.031 1.00 44.21 H new ATOM 0 HD2 HIS A 635 3.101 8.252 7.546 1.00 2.00 H new ATOM 0 HE1 HIS A 635 6.862 8.257 9.510 1.00 14.12 H new ATOM 0 HE2 HIS A 635 4.423 8.970 9.675 1.00 11.43 H new ATOM 587 N ILE A 636 1.995 5.292 5.365 1.00 51.45 N ATOM 588 CA ILE A 636 0.604 5.219 5.792 1.00 12.34 C ATOM 589 C ILE A 636 0.234 3.802 6.220 1.00 3.31 C ATOM 590 O ILE A 636 -0.505 3.607 7.185 1.00 2.30 O ATOM 591 CB ILE A 636 -0.354 5.673 4.676 1.00 61.45 C ATOM 592 CG1 ILE A 636 0.266 6.822 3.878 1.00 12.45 C ATOM 593 CG2 ILE A 636 -1.693 6.089 5.263 1.00 12.22 C ATOM 594 CD1 ILE A 636 -0.758 7.742 3.249 1.00 70.11 C ATOM 0 H ILE A 636 2.123 5.346 4.355 1.00 51.45 H new ATOM 0 HA ILE A 636 0.500 5.892 6.643 1.00 12.34 H new ATOM 0 HB ILE A 636 -0.522 4.835 3.999 1.00 61.45 H new ATOM 0 HG12 ILE A 636 0.910 7.405 4.536 1.00 12.45 H new ATOM 0 HG13 ILE A 636 0.901 6.408 3.095 1.00 12.45 H new ATOM 0 HG21 ILE A 636 -2.359 6.407 4.461 1.00 12.22 H new ATOM 0 HG22 ILE A 636 -2.137 5.245 5.790 1.00 12.22 H new ATOM 0 HG23 ILE A 636 -1.544 6.914 5.960 1.00 12.22 H new ATOM 0 HD11 ILE A 636 -0.248 8.533 2.699 1.00 70.11 H new ATOM 0 HD12 ILE A 636 -1.387 7.173 2.565 1.00 70.11 H new ATOM 0 HD13 ILE A 636 -1.378 8.184 4.029 1.00 70.11 H new ATOM 606 N ILE A 637 0.755 2.817 5.496 1.00 35.02 N ATOM 607 CA ILE A 637 0.481 1.419 5.802 1.00 64.54 C ATOM 608 C ILE A 637 1.228 0.973 7.055 1.00 13.42 C ATOM 609 O ILE A 637 0.654 0.336 7.937 1.00 60.14 O ATOM 610 CB ILE A 637 0.874 0.499 4.631 1.00 52.12 C ATOM 611 CG1 ILE A 637 -0.032 0.758 3.425 1.00 61.50 C ATOM 612 CG2 ILE A 637 0.797 -0.961 5.054 1.00 41.44 C ATOM 613 CD1 ILE A 637 0.419 1.921 2.569 1.00 21.24 C ATOM 0 H ILE A 637 1.369 2.961 4.694 1.00 35.02 H new ATOM 0 HA ILE A 637 -0.592 1.339 5.973 1.00 64.54 H new ATOM 0 HB ILE A 637 1.902 0.720 4.344 1.00 52.12 H new ATOM 0 HG12 ILE A 637 -0.071 -0.141 2.810 1.00 61.50 H new ATOM 0 HG13 ILE A 637 -1.046 0.948 3.777 1.00 61.50 H new ATOM 0 HG21 ILE A 637 1.078 -1.598 4.215 1.00 41.44 H new ATOM 0 HG22 ILE A 637 1.479 -1.135 5.886 1.00 41.44 H new ATOM 0 HG23 ILE A 637 -0.221 -1.197 5.364 1.00 41.44 H new ATOM 0 HD11 ILE A 637 -0.269 2.046 1.733 1.00 21.24 H new ATOM 0 HD12 ILE A 637 0.431 2.831 3.169 1.00 21.24 H new ATOM 0 HD13 ILE A 637 1.421 1.725 2.187 1.00 21.24 H new ATOM 625 N GLN A 638 2.510 1.318 7.126 1.00 74.40 N ATOM 626 CA GLN A 638 3.334 0.954 8.273 1.00 64.42 C ATOM 627 C GLN A 638 2.882 1.696 9.525 1.00 2.02 C ATOM 628 O GLN A 638 3.189 1.288 10.646 1.00 33.20 O ATOM 629 CB GLN A 638 4.806 1.261 7.986 1.00 22.12 C ATOM 630 CG GLN A 638 5.125 2.747 7.967 1.00 15.11 C ATOM 631 CD GLN A 638 6.609 3.023 7.828 1.00 41.43 C ATOM 632 OE1 GLN A 638 7.235 3.585 8.727 1.00 52.53 O ATOM 633 NE2 GLN A 638 7.181 2.629 6.697 1.00 62.02 N ATOM 0 H GLN A 638 2.999 1.848 6.405 1.00 74.40 H new ATOM 0 HA GLN A 638 3.220 -0.116 8.447 1.00 64.42 H new ATOM 0 HB2 GLN A 638 5.424 0.775 8.741 1.00 22.12 H new ATOM 0 HB3 GLN A 638 5.078 0.827 7.024 1.00 22.12 H new ATOM 0 HG2 GLN A 638 4.593 3.219 7.141 1.00 15.11 H new ATOM 0 HG3 GLN A 638 4.758 3.205 8.886 1.00 15.11 H new ATOM 0 HE21 GLN A 638 6.624 2.167 5.978 1.00 62.02 H new ATOM 0 HE22 GLN A 638 8.177 2.789 6.547 1.00 62.02 H new ATOM 642 N SER A 639 2.152 2.789 9.329 1.00 43.44 N ATOM 643 CA SER A 639 1.662 3.591 10.443 1.00 54.40 C ATOM 644 C SER A 639 0.236 3.194 10.812 1.00 72.23 C ATOM 645 O SER A 639 -0.139 3.201 11.984 1.00 21.02 O ATOM 646 CB SER A 639 1.713 5.080 10.090 1.00 63.22 C ATOM 647 OG SER A 639 3.052 5.543 10.026 1.00 33.14 O ATOM 0 H SER A 639 1.887 3.139 8.409 1.00 43.44 H new ATOM 0 HA SER A 639 2.307 3.406 11.302 1.00 54.40 H new ATOM 0 HB2 SER A 639 1.221 5.247 9.132 1.00 63.22 H new ATOM 0 HB3 SER A 639 1.162 5.653 10.836 1.00 63.22 H new ATOM 0 HG SER A 639 3.381 5.468 9.106 1.00 33.14 H new ATOM 653 N ARG A 640 -0.555 2.848 9.802 1.00 13.10 N ATOM 654 CA ARG A 640 -1.941 2.448 10.018 1.00 4.54 C ATOM 655 C ARG A 640 -2.023 0.992 10.466 1.00 11.24 C ATOM 656 O ARG A 640 -2.905 0.621 11.239 1.00 30.34 O ATOM 657 CB ARG A 640 -2.757 2.647 8.739 1.00 20.35 C ATOM 658 CG ARG A 640 -3.069 4.102 8.435 1.00 53.30 C ATOM 659 CD ARG A 640 -4.353 4.550 9.116 1.00 2.22 C ATOM 660 NE ARG A 640 -4.879 5.784 8.537 1.00 63.41 N ATOM 661 CZ ARG A 640 -6.111 6.230 8.752 1.00 71.31 C ATOM 662 NH1 ARG A 640 -6.941 5.547 9.529 1.00 21.24 N ATOM 663 NH2 ARG A 640 -6.517 7.360 8.188 1.00 5.52 N ATOM 0 H ARG A 640 -0.260 2.836 8.826 1.00 13.10 H new ATOM 0 HA ARG A 640 -2.356 3.076 10.806 1.00 4.54 H new ATOM 0 HB2 ARG A 640 -2.210 2.219 7.899 1.00 20.35 H new ATOM 0 HB3 ARG A 640 -3.692 2.094 8.825 1.00 20.35 H new ATOM 0 HG2 ARG A 640 -2.242 4.730 8.767 1.00 53.30 H new ATOM 0 HG3 ARG A 640 -3.161 4.238 7.357 1.00 53.30 H new ATOM 0 HD2 ARG A 640 -5.102 3.762 9.032 1.00 2.22 H new ATOM 0 HD3 ARG A 640 -4.166 4.700 10.179 1.00 2.22 H new ATOM 0 HE ARG A 640 -4.266 6.333 7.934 1.00 63.41 H new ATOM 0 HH11 ARG A 640 -6.633 4.677 9.963 1.00 21.24 H new ATOM 0 HH12 ARG A 640 -7.887 5.892 9.692 1.00 21.24 H new ATOM 0 HH21 ARG A 640 -5.882 7.887 7.588 1.00 5.52 H new ATOM 0 HH22 ARG A 640 -7.464 7.701 8.354 1.00 5.52 H new ATOM 677 N GLU A 641 -1.098 0.174 9.975 1.00 1.22 N ATOM 678 CA GLU A 641 -1.067 -1.241 10.325 1.00 13.14 C ATOM 679 C GLU A 641 -0.446 -1.448 11.703 1.00 33.03 C ATOM 680 O GLU A 641 0.739 -1.199 11.922 1.00 62.12 O ATOM 681 CB GLU A 641 -0.282 -2.032 9.276 1.00 44.23 C ATOM 682 CG GLU A 641 -0.266 -3.529 9.529 1.00 30.33 C ATOM 683 CD GLU A 641 -1.386 -4.254 8.807 1.00 64.31 C ATOM 684 OE1 GLU A 641 -2.564 -3.994 9.125 1.00 12.30 O ATOM 685 OE2 GLU A 641 -1.082 -5.084 7.924 1.00 45.41 O ATOM 0 H GLU A 641 -0.360 0.467 9.334 1.00 1.22 H new ATOM 0 HA GLU A 641 -2.094 -1.604 10.350 1.00 13.14 H new ATOM 0 HB2 GLU A 641 -0.713 -1.843 8.293 1.00 44.23 H new ATOM 0 HB3 GLU A 641 0.744 -1.666 9.250 1.00 44.23 H new ATOM 0 HG2 GLU A 641 0.692 -3.938 9.209 1.00 30.33 H new ATOM 0 HG3 GLU A 641 -0.349 -3.714 10.600 1.00 30.33 H new ATOM 692 N PRO A 642 -1.266 -1.913 12.657 1.00 14.11 N ATOM 693 CA PRO A 642 -0.821 -2.164 14.031 1.00 62.11 C ATOM 694 C PRO A 642 0.126 -3.356 14.125 1.00 33.44 C ATOM 695 O PRO A 642 1.072 -3.349 14.912 1.00 2.30 O ATOM 696 CB PRO A 642 -2.124 -2.455 14.779 1.00 10.31 C ATOM 697 CG PRO A 642 -3.057 -2.958 13.733 1.00 10.20 C ATOM 698 CD PRO A 642 -2.692 -2.231 12.468 1.00 24.32 C ATOM 0 HA PRO A 642 -0.260 -1.323 14.438 1.00 62.11 H new ATOM 0 HB2 PRO A 642 -1.973 -3.196 15.564 1.00 10.31 H new ATOM 0 HB3 PRO A 642 -2.514 -1.557 15.259 1.00 10.31 H new ATOM 0 HG2 PRO A 642 -2.957 -4.036 13.606 1.00 10.20 H new ATOM 0 HG3 PRO A 642 -4.094 -2.765 14.009 1.00 10.20 H new ATOM 0 HD2 PRO A 642 -2.852 -2.852 11.587 1.00 24.32 H new ATOM 0 HD3 PRO A 642 -3.291 -1.330 12.335 1.00 24.32 H new ATOM 706 N SER A 643 -0.137 -4.379 13.318 1.00 31.04 N ATOM 707 CA SER A 643 0.689 -5.580 13.314 1.00 64.42 C ATOM 708 C SER A 643 2.087 -5.275 12.785 1.00 63.32 C ATOM 709 O SER A 643 3.077 -5.847 13.245 1.00 12.23 O ATOM 710 CB SER A 643 0.036 -6.671 12.463 1.00 23.22 C ATOM 711 OG SER A 643 0.491 -7.958 12.845 1.00 4.44 O ATOM 0 H SER A 643 -0.915 -4.400 12.659 1.00 31.04 H new ATOM 0 HA SER A 643 0.777 -5.935 14.341 1.00 64.42 H new ATOM 0 HB2 SER A 643 -1.048 -6.619 12.569 1.00 23.22 H new ATOM 0 HB3 SER A 643 0.262 -6.500 11.411 1.00 23.22 H new ATOM 0 HG SER A 643 0.058 -8.637 12.287 1.00 4.44 H new ATOM 717 N LEU A 644 2.162 -4.372 11.814 1.00 72.12 N ATOM 718 CA LEU A 644 3.438 -3.989 11.220 1.00 72.32 C ATOM 719 C LEU A 644 4.443 -3.593 12.296 1.00 14.25 C ATOM 720 O LEU A 644 4.379 -2.493 12.846 1.00 14.52 O ATOM 721 CB LEU A 644 3.241 -2.832 10.239 1.00 13.53 C ATOM 722 CG LEU A 644 4.163 -2.821 9.020 1.00 10.54 C ATOM 723 CD1 LEU A 644 5.613 -2.663 9.449 1.00 25.22 C ATOM 724 CD2 LEU A 644 3.980 -4.090 8.202 1.00 5.30 C ATOM 0 H LEU A 644 1.353 -3.891 11.421 1.00 72.12 H new ATOM 0 HA LEU A 644 3.832 -4.851 10.681 1.00 72.32 H new ATOM 0 HB2 LEU A 644 2.209 -2.851 9.889 1.00 13.53 H new ATOM 0 HB3 LEU A 644 3.377 -1.896 10.781 1.00 13.53 H new ATOM 0 HG LEU A 644 3.897 -1.969 8.394 1.00 10.54 H new ATOM 0 HD11 LEU A 644 6.255 -2.657 8.568 1.00 25.22 H new ATOM 0 HD12 LEU A 644 5.732 -1.725 9.991 1.00 25.22 H new ATOM 0 HD13 LEU A 644 5.893 -3.494 10.097 1.00 25.22 H new ATOM 0 HD21 LEU A 644 4.644 -4.065 7.338 1.00 5.30 H new ATOM 0 HD22 LEU A 644 4.218 -4.957 8.818 1.00 5.30 H new ATOM 0 HD23 LEU A 644 2.946 -4.158 7.863 1.00 5.30 H new ATOM 736 N LYS A 645 5.372 -4.496 12.593 1.00 51.13 N ATOM 737 CA LYS A 645 6.393 -4.241 13.602 1.00 41.32 C ATOM 738 C LYS A 645 7.698 -4.944 13.244 1.00 42.35 C ATOM 739 O LYS A 645 8.366 -5.509 14.109 1.00 65.32 O ATOM 740 CB LYS A 645 5.910 -4.707 14.977 1.00 62.42 C ATOM 741 CG LYS A 645 6.325 -3.787 16.112 1.00 73.11 C ATOM 742 CD LYS A 645 5.484 -4.022 17.355 1.00 74.13 C ATOM 743 CE LYS A 645 5.652 -2.897 18.363 1.00 4.23 C ATOM 744 NZ LYS A 645 7.058 -2.788 18.844 1.00 61.32 N ATOM 0 H LYS A 645 5.438 -5.412 12.149 1.00 51.13 H new ATOM 0 HA LYS A 645 6.576 -3.167 13.634 1.00 41.32 H new ATOM 0 HB2 LYS A 645 4.823 -4.786 14.963 1.00 62.42 H new ATOM 0 HB3 LYS A 645 6.299 -5.707 15.170 1.00 62.42 H new ATOM 0 HG2 LYS A 645 7.377 -3.949 16.347 1.00 73.11 H new ATOM 0 HG3 LYS A 645 6.226 -2.749 15.795 1.00 73.11 H new ATOM 0 HD2 LYS A 645 4.434 -4.107 17.074 1.00 74.13 H new ATOM 0 HD3 LYS A 645 5.768 -4.969 17.814 1.00 74.13 H new ATOM 0 HE2 LYS A 645 5.350 -1.954 17.908 1.00 4.23 H new ATOM 0 HE3 LYS A 645 4.990 -3.068 19.212 1.00 4.23 H new ATOM 0 HZ1 LYS A 645 7.111 -2.079 19.603 1.00 61.32 H new ATOM 0 HZ2 LYS A 645 7.373 -3.710 19.209 1.00 61.32 H new ATOM 0 HZ3 LYS A 645 7.673 -2.499 18.057 1.00 61.32 H new ATOM 758 N ASN A 646 8.057 -4.903 11.964 1.00 14.12 N ATOM 759 CA ASN A 646 9.283 -5.536 11.493 1.00 20.15 C ATOM 760 C ASN A 646 10.478 -5.098 12.334 1.00 43.34 C ATOM 761 O ASN A 646 10.506 -3.986 12.860 1.00 45.54 O ATOM 762 CB ASN A 646 9.526 -5.193 10.023 1.00 53.51 C ATOM 763 CG ASN A 646 9.404 -6.403 9.118 1.00 41.04 C ATOM 764 OD1 ASN A 646 10.304 -7.241 9.059 1.00 1.55 O ATOM 765 ND2 ASN A 646 8.287 -6.501 8.407 1.00 32.11 N ATOM 0 H ASN A 646 7.516 -4.438 11.235 1.00 14.12 H new ATOM 0 HA ASN A 646 9.167 -6.615 11.592 1.00 20.15 H new ATOM 0 HB2 ASN A 646 8.811 -4.433 9.707 1.00 53.51 H new ATOM 0 HB3 ASN A 646 10.520 -4.760 9.914 1.00 53.51 H new ATOM 0 HD21 ASN A 646 8.149 -7.294 7.781 1.00 32.11 H new ATOM 0 HD22 ASN A 646 7.567 -5.783 8.487 1.00 32.11 H new ATOM 772 N SER A 647 11.465 -5.981 12.455 1.00 11.21 N ATOM 773 CA SER A 647 12.661 -5.688 13.234 1.00 45.01 C ATOM 774 C SER A 647 13.360 -4.438 12.706 1.00 31.04 C ATOM 775 O SER A 647 13.932 -3.664 13.472 1.00 21.12 O ATOM 776 CB SER A 647 13.623 -6.877 13.198 1.00 42.14 C ATOM 777 OG SER A 647 13.970 -7.212 11.865 1.00 31.25 O ATOM 0 H SER A 647 11.459 -6.905 12.023 1.00 11.21 H new ATOM 0 HA SER A 647 12.358 -5.506 14.265 1.00 45.01 H new ATOM 0 HB2 SER A 647 14.524 -6.637 13.762 1.00 42.14 H new ATOM 0 HB3 SER A 647 13.162 -7.737 13.684 1.00 42.14 H new ATOM 0 HG SER A 647 14.587 -7.974 11.869 1.00 31.25 H new ATOM 783 N ASN A 648 13.308 -4.249 11.392 1.00 25.22 N ATOM 784 CA ASN A 648 13.936 -3.094 10.761 1.00 2.12 C ATOM 785 C ASN A 648 12.897 -2.226 10.058 1.00 31.31 C ATOM 786 O ASN A 648 12.002 -2.719 9.373 1.00 73.24 O ATOM 787 CB ASN A 648 14.998 -3.550 9.758 1.00 62.14 C ATOM 788 CG ASN A 648 14.394 -4.023 8.450 1.00 35.34 C ATOM 789 OD1 ASN A 648 13.617 -4.978 8.424 1.00 54.34 O ATOM 790 ND2 ASN A 648 14.750 -3.357 7.359 1.00 74.42 N ATOM 0 H ASN A 648 12.838 -4.880 10.743 1.00 25.22 H new ATOM 0 HA ASN A 648 14.412 -2.500 11.541 1.00 2.12 H new ATOM 0 HB2 ASN A 648 15.685 -2.727 9.561 1.00 62.14 H new ATOM 0 HB3 ASN A 648 15.585 -4.357 10.197 1.00 62.14 H new ATOM 0 HD21 ASN A 648 14.377 -3.630 6.450 1.00 74.42 H new ATOM 0 HD22 ASN A 648 15.397 -2.572 7.429 1.00 74.42 H new ATOM 797 N PRO A 649 13.017 -0.901 10.232 1.00 64.20 N ATOM 798 CA PRO A 649 12.098 0.064 9.621 1.00 22.35 C ATOM 799 C PRO A 649 12.266 0.147 8.109 1.00 44.21 C ATOM 800 O PRO A 649 11.487 0.810 7.424 1.00 54.02 O ATOM 801 CB PRO A 649 12.490 1.390 10.278 1.00 1.00 C ATOM 802 CG PRO A 649 13.913 1.209 10.678 1.00 64.13 C ATOM 803 CD PRO A 649 14.061 -0.244 11.036 1.00 24.52 C ATOM 0 HA PRO A 649 11.055 -0.212 9.775 1.00 22.35 H new ATOM 0 HB2 PRO A 649 12.377 2.224 9.585 1.00 1.00 H new ATOM 0 HB3 PRO A 649 11.860 1.605 11.141 1.00 1.00 H new ATOM 0 HG2 PRO A 649 14.585 1.481 9.864 1.00 64.13 H new ATOM 0 HG3 PRO A 649 14.164 1.847 11.525 1.00 64.13 H new ATOM 0 HD2 PRO A 649 15.054 -0.620 10.789 1.00 24.52 H new ATOM 0 HD3 PRO A 649 13.912 -0.412 12.103 1.00 24.52 H new ATOM 811 N ASP A 650 13.287 -0.528 7.592 1.00 2.55 N ATOM 812 CA ASP A 650 13.556 -0.530 6.160 1.00 65.33 C ATOM 813 C ASP A 650 12.839 -1.690 5.474 1.00 1.53 C ATOM 814 O ASP A 650 13.213 -2.100 4.377 1.00 73.31 O ATOM 815 CB ASP A 650 15.061 -0.621 5.902 1.00 62.32 C ATOM 816 CG ASP A 650 15.881 -0.207 7.108 1.00 40.34 C ATOM 817 OD1 ASP A 650 15.680 0.923 7.601 1.00 62.22 O ATOM 818 OD2 ASP A 650 16.724 -1.010 7.557 1.00 5.04 O ATOM 0 H ASP A 650 13.942 -1.081 8.145 1.00 2.55 H new ATOM 0 HA ASP A 650 13.180 0.404 5.743 1.00 65.33 H new ATOM 0 HB2 ASP A 650 15.318 -1.643 5.625 1.00 62.32 H new ATOM 0 HB3 ASP A 650 15.320 0.014 5.055 1.00 62.32 H new ATOM 823 N GLU A 651 11.809 -2.212 6.131 1.00 32.35 N ATOM 824 CA GLU A 651 11.041 -3.326 5.585 1.00 61.12 C ATOM 825 C GLU A 651 9.579 -3.242 6.016 1.00 64.10 C ATOM 826 O GLU A 651 9.279 -2.959 7.176 1.00 51.51 O ATOM 827 CB GLU A 651 11.642 -4.658 6.036 1.00 32.35 C ATOM 828 CG GLU A 651 10.791 -5.864 5.672 1.00 64.04 C ATOM 829 CD GLU A 651 11.580 -7.159 5.684 1.00 70.52 C ATOM 830 OE1 GLU A 651 12.816 -7.103 5.513 1.00 34.41 O ATOM 831 OE2 GLU A 651 10.961 -8.228 5.865 1.00 74.24 O ATOM 0 H GLU A 651 11.487 -1.883 7.041 1.00 32.35 H new ATOM 0 HA GLU A 651 11.085 -3.266 4.498 1.00 61.12 H new ATOM 0 HB2 GLU A 651 12.629 -4.772 5.588 1.00 32.35 H new ATOM 0 HB3 GLU A 651 11.783 -4.636 7.117 1.00 32.35 H new ATOM 0 HG2 GLU A 651 9.960 -5.943 6.373 1.00 64.04 H new ATOM 0 HG3 GLU A 651 10.360 -5.715 4.682 1.00 64.04 H new ATOM 838 N ILE A 652 8.676 -3.490 5.073 1.00 43.01 N ATOM 839 CA ILE A 652 7.246 -3.443 5.354 1.00 24.12 C ATOM 840 C ILE A 652 6.499 -4.525 4.584 1.00 62.11 C ATOM 841 O ILE A 652 6.827 -4.822 3.435 1.00 1.44 O ATOM 842 CB ILE A 652 6.647 -2.069 5.000 1.00 24.31 C ATOM 843 CG1 ILE A 652 5.736 -1.580 6.128 1.00 70.25 C ATOM 844 CG2 ILE A 652 5.882 -2.148 3.688 1.00 0.31 C ATOM 845 CD1 ILE A 652 4.343 -1.215 5.663 1.00 64.45 C ATOM 0 H ILE A 652 8.909 -3.725 4.108 1.00 43.01 H new ATOM 0 HA ILE A 652 7.129 -3.616 6.424 1.00 24.12 H new ATOM 0 HB ILE A 652 7.460 -1.353 4.880 1.00 24.31 H new ATOM 0 HG12 ILE A 652 5.665 -2.357 6.889 1.00 70.25 H new ATOM 0 HG13 ILE A 652 6.192 -0.711 6.602 1.00 70.25 H new ATOM 0 HG21 ILE A 652 5.464 -1.170 3.451 1.00 0.31 H new ATOM 0 HG22 ILE A 652 6.558 -2.457 2.891 1.00 0.31 H new ATOM 0 HG23 ILE A 652 5.075 -2.874 3.781 1.00 0.31 H new ATOM 0 HD11 ILE A 652 3.752 -0.877 6.514 1.00 64.45 H new ATOM 0 HD12 ILE A 652 4.404 -0.417 4.924 1.00 64.45 H new ATOM 0 HD13 ILE A 652 3.868 -2.088 5.216 1.00 64.45 H new ATOM 857 N GLU A 653 5.491 -5.111 5.222 1.00 22.14 N ATOM 858 CA GLU A 653 4.696 -6.160 4.596 1.00 12.41 C ATOM 859 C GLU A 653 3.242 -5.723 4.443 1.00 33.13 C ATOM 860 O GLU A 653 2.456 -5.807 5.387 1.00 13.43 O ATOM 861 CB GLU A 653 4.769 -7.448 5.419 1.00 42.13 C ATOM 862 CG GLU A 653 4.008 -8.609 4.802 1.00 41.21 C ATOM 863 CD GLU A 653 4.134 -9.884 5.611 1.00 21.41 C ATOM 864 OE1 GLU A 653 3.873 -9.843 6.831 1.00 73.13 O ATOM 865 OE2 GLU A 653 4.495 -10.926 5.023 1.00 43.32 O ATOM 0 H GLU A 653 5.206 -4.877 6.173 1.00 22.14 H new ATOM 0 HA GLU A 653 5.107 -6.348 3.604 1.00 12.41 H new ATOM 0 HB2 GLU A 653 5.814 -7.733 5.540 1.00 42.13 H new ATOM 0 HB3 GLU A 653 4.374 -7.255 6.416 1.00 42.13 H new ATOM 0 HG2 GLU A 653 2.955 -8.342 4.713 1.00 41.21 H new ATOM 0 HG3 GLU A 653 4.378 -8.786 3.792 1.00 41.21 H new ATOM 872 N ILE A 654 2.892 -5.256 3.249 1.00 0.54 N ATOM 873 CA ILE A 654 1.533 -4.806 2.974 1.00 31.43 C ATOM 874 C ILE A 654 0.679 -5.943 2.425 1.00 33.33 C ATOM 875 O ILE A 654 0.870 -6.388 1.294 1.00 24.31 O ATOM 876 CB ILE A 654 1.520 -3.639 1.970 1.00 40.32 C ATOM 877 CG1 ILE A 654 2.549 -2.580 2.371 1.00 31.22 C ATOM 878 CG2 ILE A 654 0.129 -3.028 1.886 1.00 54.12 C ATOM 879 CD1 ILE A 654 2.535 -1.356 1.482 1.00 60.24 C ATOM 0 H ILE A 654 3.530 -5.179 2.457 1.00 0.54 H new ATOM 0 HA ILE A 654 1.115 -4.465 3.921 1.00 31.43 H new ATOM 0 HB ILE A 654 1.787 -4.024 0.986 1.00 40.32 H new ATOM 0 HG12 ILE A 654 2.361 -2.274 3.400 1.00 31.22 H new ATOM 0 HG13 ILE A 654 3.544 -3.025 2.348 1.00 31.22 H new ATOM 0 HG21 ILE A 654 0.136 -2.204 1.172 1.00 54.12 H new ATOM 0 HG22 ILE A 654 -0.582 -3.786 1.558 1.00 54.12 H new ATOM 0 HG23 ILE A 654 -0.165 -2.655 2.867 1.00 54.12 H new ATOM 0 HD11 ILE A 654 3.290 -0.648 1.825 1.00 60.24 H new ATOM 0 HD12 ILE A 654 2.753 -1.650 0.455 1.00 60.24 H new ATOM 0 HD13 ILE A 654 1.552 -0.887 1.524 1.00 60.24 H new ATOM 891 N ASP A 655 -0.266 -6.409 3.235 1.00 13.01 N ATOM 892 CA ASP A 655 -1.154 -7.493 2.830 1.00 62.31 C ATOM 893 C ASP A 655 -2.615 -7.063 2.921 1.00 44.43 C ATOM 894 O ASP A 655 -3.232 -7.145 3.983 1.00 62.51 O ATOM 895 CB ASP A 655 -0.917 -8.727 3.703 1.00 72.31 C ATOM 896 CG ASP A 655 -1.637 -9.953 3.178 1.00 30.53 C ATOM 897 OD1 ASP A 655 -2.436 -9.813 2.228 1.00 51.20 O ATOM 898 OD2 ASP A 655 -1.402 -11.056 3.717 1.00 5.50 O ATOM 0 H ASP A 655 -0.437 -6.053 4.176 1.00 13.01 H new ATOM 0 HA ASP A 655 -0.932 -7.743 1.792 1.00 62.31 H new ATOM 0 HB2 ASP A 655 0.152 -8.932 3.755 1.00 72.31 H new ATOM 0 HB3 ASP A 655 -1.252 -8.520 4.719 1.00 72.31 H new ATOM 903 N PHE A 656 -3.161 -6.601 1.801 1.00 71.32 N ATOM 904 CA PHE A 656 -4.549 -6.156 1.755 1.00 42.03 C ATOM 905 C PHE A 656 -5.493 -7.271 2.193 1.00 72.43 C ATOM 906 O PHE A 656 -6.576 -7.011 2.716 1.00 55.42 O ATOM 907 CB PHE A 656 -4.911 -5.691 0.342 1.00 63.44 C ATOM 908 CG PHE A 656 -4.087 -4.531 -0.137 1.00 65.03 C ATOM 909 CD1 PHE A 656 -3.650 -3.561 0.751 1.00 20.22 C ATOM 910 CD2 PHE A 656 -3.748 -4.410 -1.475 1.00 13.42 C ATOM 911 CE1 PHE A 656 -2.891 -2.491 0.313 1.00 32.22 C ATOM 912 CE2 PHE A 656 -2.989 -3.343 -1.919 1.00 2.04 C ATOM 913 CZ PHE A 656 -2.561 -2.382 -1.023 1.00 32.53 C ATOM 0 H PHE A 656 -2.664 -6.525 0.914 1.00 71.32 H new ATOM 0 HA PHE A 656 -4.659 -5.319 2.445 1.00 42.03 H new ATOM 0 HB2 PHE A 656 -4.787 -6.525 -0.349 1.00 63.44 H new ATOM 0 HB3 PHE A 656 -5.964 -5.412 0.319 1.00 63.44 H new ATOM 0 HD1 PHE A 656 -3.905 -3.642 1.797 1.00 20.22 H new ATOM 0 HD2 PHE A 656 -4.081 -5.158 -2.179 1.00 13.42 H new ATOM 0 HE1 PHE A 656 -2.557 -1.742 1.015 1.00 32.22 H new ATOM 0 HE2 PHE A 656 -2.731 -3.261 -2.965 1.00 2.04 H new ATOM 0 HZ PHE A 656 -1.969 -1.547 -1.367 1.00 32.53 H new ATOM 923 N GLU A 657 -5.074 -8.514 1.976 1.00 62.12 N ATOM 924 CA GLU A 657 -5.883 -9.669 2.347 1.00 41.31 C ATOM 925 C GLU A 657 -6.341 -9.568 3.798 1.00 2.04 C ATOM 926 O GLU A 657 -7.419 -10.042 4.156 1.00 14.45 O ATOM 927 CB GLU A 657 -5.092 -10.961 2.139 1.00 70.44 C ATOM 928 CG GLU A 657 -5.965 -12.203 2.054 1.00 1.34 C ATOM 929 CD GLU A 657 -5.170 -13.455 1.743 1.00 64.54 C ATOM 930 OE1 GLU A 657 -4.375 -13.885 2.605 1.00 41.43 O ATOM 931 OE2 GLU A 657 -5.343 -14.007 0.636 1.00 43.04 O ATOM 0 H GLU A 657 -4.179 -8.747 1.545 1.00 62.12 H new ATOM 0 HA GLU A 657 -6.765 -9.684 1.706 1.00 41.31 H new ATOM 0 HB2 GLU A 657 -4.507 -10.875 1.223 1.00 70.44 H new ATOM 0 HB3 GLU A 657 -4.385 -11.080 2.960 1.00 70.44 H new ATOM 0 HG2 GLU A 657 -6.492 -12.337 2.999 1.00 1.34 H new ATOM 0 HG3 GLU A 657 -6.723 -12.058 1.284 1.00 1.34 H new ATOM 938 N THR A 658 -5.512 -8.947 4.633 1.00 22.42 N ATOM 939 CA THR A 658 -5.829 -8.785 6.046 1.00 12.24 C ATOM 940 C THR A 658 -5.928 -7.311 6.422 1.00 51.05 C ATOM 941 O THR A 658 -6.584 -6.952 7.400 1.00 11.14 O ATOM 942 CB THR A 658 -4.773 -9.461 6.941 1.00 51.24 C ATOM 943 OG1 THR A 658 -5.200 -9.437 8.307 1.00 63.32 O ATOM 944 CG2 THR A 658 -3.428 -8.762 6.812 1.00 72.42 C ATOM 0 H THR A 658 -4.616 -8.548 4.354 1.00 22.42 H new ATOM 0 HA THR A 658 -6.794 -9.265 6.210 1.00 12.24 H new ATOM 0 HB THR A 658 -4.660 -10.495 6.615 1.00 51.24 H new ATOM 0 HG1 THR A 658 -4.524 -9.870 8.869 1.00 63.32 H new ATOM 0 HG21 THR A 658 -2.698 -9.257 7.453 1.00 72.42 H new ATOM 0 HG22 THR A 658 -3.092 -8.808 5.776 1.00 72.42 H new ATOM 0 HG23 THR A 658 -3.529 -7.720 7.114 1.00 72.42 H new ATOM 952 N LEU A 659 -5.275 -6.460 5.639 1.00 22.10 N ATOM 953 CA LEU A 659 -5.289 -5.023 5.888 1.00 33.15 C ATOM 954 C LEU A 659 -6.720 -4.497 5.953 1.00 50.34 C ATOM 955 O LEU A 659 -7.651 -5.134 5.459 1.00 65.11 O ATOM 956 CB LEU A 659 -4.511 -4.288 4.797 1.00 14.12 C ATOM 957 CG LEU A 659 -3.819 -2.993 5.223 1.00 4.21 C ATOM 958 CD1 LEU A 659 -2.489 -3.295 5.898 1.00 15.12 C ATOM 959 CD2 LEU A 659 -3.615 -2.077 4.025 1.00 54.21 C ATOM 0 H LEU A 659 -4.728 -6.741 4.825 1.00 22.10 H new ATOM 0 HA LEU A 659 -4.810 -4.841 6.850 1.00 33.15 H new ATOM 0 HB2 LEU A 659 -3.756 -4.965 4.398 1.00 14.12 H new ATOM 0 HB3 LEU A 659 -5.197 -4.059 3.981 1.00 14.12 H new ATOM 0 HG LEU A 659 -4.460 -2.481 5.941 1.00 4.21 H new ATOM 0 HD11 LEU A 659 -2.011 -2.361 6.194 1.00 15.12 H new ATOM 0 HD12 LEU A 659 -2.661 -3.911 6.781 1.00 15.12 H new ATOM 0 HD13 LEU A 659 -1.841 -3.830 5.203 1.00 15.12 H new ATOM 0 HD21 LEU A 659 -3.121 -1.160 4.348 1.00 54.21 H new ATOM 0 HD22 LEU A 659 -2.996 -2.581 3.283 1.00 54.21 H new ATOM 0 HD23 LEU A 659 -4.582 -1.833 3.585 1.00 54.21 H new ATOM 971 N LYS A 660 -6.887 -3.328 6.561 1.00 15.42 N ATOM 972 CA LYS A 660 -8.204 -2.712 6.687 1.00 62.25 C ATOM 973 C LYS A 660 -8.515 -1.841 5.473 1.00 21.31 C ATOM 974 O LYS A 660 -7.620 -1.394 4.755 1.00 14.31 O ATOM 975 CB LYS A 660 -8.277 -1.872 7.964 1.00 42.34 C ATOM 976 CG LYS A 660 -8.984 -2.570 9.111 1.00 11.13 C ATOM 977 CD LYS A 660 -9.235 -1.621 10.272 1.00 61.35 C ATOM 978 CE LYS A 660 -9.436 -2.377 11.576 1.00 50.42 C ATOM 979 NZ LYS A 660 -9.536 -1.455 12.741 1.00 10.43 N ATOM 0 H LYS A 660 -6.127 -2.787 6.975 1.00 15.42 H new ATOM 0 HA LYS A 660 -8.947 -3.508 6.741 1.00 62.25 H new ATOM 0 HB2 LYS A 660 -7.266 -1.612 8.276 1.00 42.34 H new ATOM 0 HB3 LYS A 660 -8.793 -0.937 7.745 1.00 42.34 H new ATOM 0 HG2 LYS A 660 -9.933 -2.977 8.761 1.00 11.13 H new ATOM 0 HG3 LYS A 660 -8.382 -3.412 9.452 1.00 11.13 H new ATOM 0 HD2 LYS A 660 -8.392 -0.937 10.373 1.00 61.35 H new ATOM 0 HD3 LYS A 660 -10.115 -1.013 10.063 1.00 61.35 H new ATOM 0 HE2 LYS A 660 -10.342 -2.979 11.511 1.00 50.42 H new ATOM 0 HE3 LYS A 660 -8.605 -3.066 11.728 1.00 50.42 H new ATOM 0 HZ1 LYS A 660 -9.673 -2.008 13.611 1.00 10.43 H new ATOM 0 HZ2 LYS A 660 -8.661 -0.898 12.819 1.00 10.43 H new ATOM 0 HZ3 LYS A 660 -10.344 -0.814 12.608 1.00 10.43 H new ATOM 993 N PRO A 661 -9.812 -1.593 5.240 1.00 40.43 N ATOM 994 CA PRO A 661 -10.270 -0.771 4.114 1.00 21.53 C ATOM 995 C PRO A 661 -9.918 0.702 4.291 1.00 12.54 C ATOM 996 O PRO A 661 -9.551 1.382 3.334 1.00 50.33 O ATOM 997 CB PRO A 661 -11.788 -0.964 4.130 1.00 70.35 C ATOM 998 CG PRO A 661 -12.111 -1.316 5.540 1.00 33.43 C ATOM 999 CD PRO A 661 -10.931 -2.094 6.054 1.00 11.42 C ATOM 0 HA PRO A 661 -9.799 -1.065 3.176 1.00 21.53 H new ATOM 0 HB2 PRO A 661 -12.306 -0.056 3.820 1.00 70.35 H new ATOM 0 HB3 PRO A 661 -12.094 -1.755 3.445 1.00 70.35 H new ATOM 0 HG2 PRO A 661 -12.278 -0.420 6.138 1.00 33.43 H new ATOM 0 HG3 PRO A 661 -13.024 -1.910 5.595 1.00 33.43 H new ATOM 0 HD2 PRO A 661 -10.765 -1.918 7.117 1.00 11.42 H new ATOM 0 HD3 PRO A 661 -11.071 -3.167 5.927 1.00 11.42 H new ATOM 1007 N SER A 662 -10.034 1.189 5.523 1.00 40.21 N ATOM 1008 CA SER A 662 -9.731 2.583 5.825 1.00 61.02 C ATOM 1009 C SER A 662 -8.353 2.967 5.296 1.00 1.11 C ATOM 1010 O SER A 662 -8.181 4.021 4.682 1.00 22.04 O ATOM 1011 CB SER A 662 -9.797 2.826 7.334 1.00 43.20 C ATOM 1012 OG SER A 662 -8.912 3.863 7.723 1.00 12.00 O ATOM 0 H SER A 662 -10.335 0.639 6.327 1.00 40.21 H new ATOM 0 HA SER A 662 -10.477 3.206 5.331 1.00 61.02 H new ATOM 0 HB2 SER A 662 -10.816 3.087 7.619 1.00 43.20 H new ATOM 0 HB3 SER A 662 -9.543 1.909 7.865 1.00 43.20 H new ATOM 0 HG SER A 662 -8.974 4.000 8.691 1.00 12.00 H new ATOM 1018 N THR A 663 -7.371 2.104 5.539 1.00 75.42 N ATOM 1019 CA THR A 663 -6.006 2.351 5.089 1.00 14.31 C ATOM 1020 C THR A 663 -5.879 2.146 3.584 1.00 24.01 C ATOM 1021 O THR A 663 -5.364 3.009 2.871 1.00 20.13 O ATOM 1022 CB THR A 663 -5.002 1.431 5.809 1.00 54.13 C ATOM 1023 OG1 THR A 663 -5.197 1.506 7.226 1.00 54.13 O ATOM 1024 CG2 THR A 663 -3.572 1.819 5.467 1.00 72.42 C ATOM 0 H THR A 663 -7.496 1.227 6.045 1.00 75.42 H new ATOM 0 HA THR A 663 -5.775 3.388 5.332 1.00 14.31 H new ATOM 0 HB THR A 663 -5.174 0.408 5.473 1.00 54.13 H new ATOM 0 HG1 THR A 663 -4.805 0.716 7.652 1.00 54.13 H new ATOM 0 HG21 THR A 663 -2.881 1.156 5.987 1.00 72.42 H new ATOM 0 HG22 THR A 663 -3.419 1.732 4.391 1.00 72.42 H new ATOM 0 HG23 THR A 663 -3.390 2.848 5.777 1.00 72.42 H new ATOM 1032 N LEU A 664 -6.349 1.000 3.106 1.00 42.22 N ATOM 1033 CA LEU A 664 -6.287 0.682 1.683 1.00 30.33 C ATOM 1034 C LEU A 664 -6.770 1.859 0.841 1.00 71.50 C ATOM 1035 O LEU A 664 -6.117 2.251 -0.126 1.00 70.53 O ATOM 1036 CB LEU A 664 -7.132 -0.557 1.381 1.00 75.22 C ATOM 1037 CG LEU A 664 -6.371 -1.879 1.277 1.00 64.53 C ATOM 1038 CD1 LEU A 664 -6.837 -2.850 2.350 1.00 2.42 C ATOM 1039 CD2 LEU A 664 -6.545 -2.488 -0.107 1.00 52.42 C ATOM 0 H LEU A 664 -6.777 0.275 3.682 1.00 42.22 H new ATOM 0 HA LEU A 664 -5.248 0.477 1.426 1.00 30.33 H new ATOM 0 HB2 LEU A 664 -7.887 -0.656 2.161 1.00 75.22 H new ATOM 0 HB3 LEU A 664 -7.662 -0.391 0.443 1.00 75.22 H new ATOM 0 HG LEU A 664 -5.311 -1.678 1.433 1.00 64.53 H new ATOM 0 HD11 LEU A 664 -6.284 -3.785 2.260 1.00 2.42 H new ATOM 0 HD12 LEU A 664 -6.660 -2.417 3.334 1.00 2.42 H new ATOM 0 HD13 LEU A 664 -7.902 -3.045 2.226 1.00 2.42 H new ATOM 0 HD21 LEU A 664 -5.996 -3.428 -0.162 1.00 52.42 H new ATOM 0 HD22 LEU A 664 -7.603 -2.674 -0.292 1.00 52.42 H new ATOM 0 HD23 LEU A 664 -6.160 -1.799 -0.859 1.00 52.42 H new ATOM 1051 N ARG A 665 -7.916 2.418 1.217 1.00 63.53 N ATOM 1052 CA ARG A 665 -8.485 3.550 0.496 1.00 53.44 C ATOM 1053 C ARG A 665 -7.635 4.802 0.691 1.00 64.22 C ATOM 1054 O ARG A 665 -7.528 5.637 -0.207 1.00 14.34 O ATOM 1055 CB ARG A 665 -9.916 3.815 0.968 1.00 63.13 C ATOM 1056 CG ARG A 665 -10.747 4.609 -0.026 1.00 55.10 C ATOM 1057 CD ARG A 665 -12.237 4.412 0.211 1.00 33.11 C ATOM 1058 NE ARG A 665 -13.030 5.502 -0.352 1.00 22.32 N ATOM 1059 CZ ARG A 665 -13.198 6.675 0.249 1.00 32.41 C ATOM 1060 NH1 ARG A 665 -12.632 6.908 1.425 1.00 40.13 N ATOM 1061 NH2 ARG A 665 -13.934 7.617 -0.327 1.00 42.01 N ATOM 0 H ARG A 665 -8.468 2.106 2.016 1.00 63.53 H new ATOM 0 HA ARG A 665 -8.499 3.302 -0.565 1.00 53.44 H new ATOM 0 HB2 ARG A 665 -10.408 2.862 1.161 1.00 63.13 H new ATOM 0 HB3 ARG A 665 -9.883 4.355 1.915 1.00 63.13 H new ATOM 0 HG2 ARG A 665 -10.501 5.668 0.056 1.00 55.10 H new ATOM 0 HG3 ARG A 665 -10.495 4.301 -1.041 1.00 55.10 H new ATOM 0 HD2 ARG A 665 -12.553 3.468 -0.232 1.00 33.11 H new ATOM 0 HD3 ARG A 665 -12.427 4.341 1.282 1.00 33.11 H new ATOM 0 HE ARG A 665 -13.479 5.355 -1.256 1.00 22.32 H new ATOM 0 HH11 ARG A 665 -12.066 6.186 1.871 1.00 40.13 H new ATOM 0 HH12 ARG A 665 -12.763 7.809 1.884 1.00 40.13 H new ATOM 0 HH21 ARG A 665 -14.371 7.441 -1.232 1.00 42.01 H new ATOM 0 HH22 ARG A 665 -14.063 8.517 0.135 1.00 42.01 H new ATOM 1075 N GLU A 666 -7.031 4.923 1.870 1.00 54.33 N ATOM 1076 CA GLU A 666 -6.191 6.074 2.182 1.00 43.43 C ATOM 1077 C GLU A 666 -5.140 6.290 1.097 1.00 22.15 C ATOM 1078 O GLU A 666 -4.976 7.400 0.588 1.00 72.24 O ATOM 1079 CB GLU A 666 -5.509 5.883 3.538 1.00 70.21 C ATOM 1080 CG GLU A 666 -5.075 7.185 4.190 1.00 61.51 C ATOM 1081 CD GLU A 666 -6.249 8.062 4.578 1.00 71.03 C ATOM 1082 OE1 GLU A 666 -7.373 7.530 4.700 1.00 4.34 O ATOM 1083 OE2 GLU A 666 -6.045 9.281 4.757 1.00 34.32 O ATOM 0 H GLU A 666 -7.108 4.239 2.623 1.00 54.33 H new ATOM 0 HA GLU A 666 -6.829 6.956 2.226 1.00 43.43 H new ATOM 0 HB2 GLU A 666 -6.192 5.361 4.208 1.00 70.21 H new ATOM 0 HB3 GLU A 666 -4.637 5.242 3.409 1.00 70.21 H new ATOM 0 HG2 GLU A 666 -4.483 6.963 5.078 1.00 61.51 H new ATOM 0 HG3 GLU A 666 -4.428 7.732 3.504 1.00 61.51 H new ATOM 1090 N LEU A 667 -4.429 5.223 0.749 1.00 1.25 N ATOM 1091 CA LEU A 667 -3.391 5.295 -0.273 1.00 75.44 C ATOM 1092 C LEU A 667 -3.998 5.584 -1.643 1.00 41.24 C ATOM 1093 O LEU A 667 -3.401 6.286 -2.460 1.00 21.42 O ATOM 1094 CB LEU A 667 -2.601 3.986 -0.320 1.00 22.15 C ATOM 1095 CG LEU A 667 -1.802 3.640 0.937 1.00 15.52 C ATOM 1096 CD1 LEU A 667 -1.181 4.892 1.537 1.00 53.54 C ATOM 1097 CD2 LEU A 667 -2.689 2.942 1.958 1.00 15.22 C ATOM 0 H LEU A 667 -4.553 4.298 1.160 1.00 1.25 H new ATOM 0 HA LEU A 667 -2.716 6.110 -0.014 1.00 75.44 H new ATOM 0 HB2 LEU A 667 -3.297 3.171 -0.520 1.00 22.15 H new ATOM 0 HB3 LEU A 667 -1.912 4.030 -1.164 1.00 22.15 H new ATOM 0 HG LEU A 667 -0.999 2.959 0.657 1.00 15.52 H new ATOM 0 HD11 LEU A 667 -0.616 4.626 2.431 1.00 53.54 H new ATOM 0 HD12 LEU A 667 -0.512 5.351 0.809 1.00 53.54 H new ATOM 0 HD13 LEU A 667 -1.968 5.597 1.802 1.00 53.54 H new ATOM 0 HD21 LEU A 667 -2.103 2.703 2.846 1.00 15.22 H new ATOM 0 HD22 LEU A 667 -3.514 3.599 2.233 1.00 15.22 H new ATOM 0 HD23 LEU A 667 -3.086 2.023 1.527 1.00 15.22 H new ATOM 1109 N GLU A 668 -5.186 5.042 -1.886 1.00 33.42 N ATOM 1110 CA GLU A 668 -5.873 5.243 -3.156 1.00 11.21 C ATOM 1111 C GLU A 668 -6.144 6.725 -3.399 1.00 20.04 C ATOM 1112 O GLU A 668 -6.192 7.179 -4.542 1.00 12.33 O ATOM 1113 CB GLU A 668 -7.189 4.462 -3.180 1.00 0.44 C ATOM 1114 CG GLU A 668 -8.082 4.811 -4.358 1.00 74.12 C ATOM 1115 CD GLU A 668 -9.269 3.875 -4.488 1.00 64.02 C ATOM 1116 OE1 GLU A 668 -10.310 4.145 -3.853 1.00 44.32 O ATOM 1117 OE2 GLU A 668 -9.155 2.873 -5.225 1.00 3.13 O ATOM 0 H GLU A 668 -5.693 4.460 -1.220 1.00 33.42 H new ATOM 0 HA GLU A 668 -5.226 4.874 -3.952 1.00 11.21 H new ATOM 0 HB2 GLU A 668 -6.968 3.395 -3.206 1.00 0.44 H new ATOM 0 HB3 GLU A 668 -7.732 4.653 -2.254 1.00 0.44 H new ATOM 0 HG2 GLU A 668 -8.441 5.834 -4.246 1.00 74.12 H new ATOM 0 HG3 GLU A 668 -7.496 4.778 -5.276 1.00 74.12 H new ATOM 1124 N ARG A 669 -6.321 7.474 -2.315 1.00 24.23 N ATOM 1125 CA ARG A 669 -6.588 8.904 -2.409 1.00 35.45 C ATOM 1126 C ARG A 669 -5.315 9.675 -2.738 1.00 64.52 C ATOM 1127 O ARG A 669 -5.348 10.668 -3.465 1.00 1.00 O ATOM 1128 CB ARG A 669 -7.185 9.420 -1.097 1.00 74.35 C ATOM 1129 CG ARG A 669 -8.550 10.066 -1.264 1.00 11.54 C ATOM 1130 CD ARG A 669 -9.671 9.109 -0.887 1.00 22.31 C ATOM 1131 NE ARG A 669 -10.976 9.764 -0.890 1.00 42.34 N ATOM 1132 CZ ARG A 669 -11.416 10.528 0.102 1.00 1.44 C ATOM 1133 NH1 ARG A 669 -10.661 10.733 1.173 1.00 63.52 N ATOM 1134 NH2 ARG A 669 -12.616 11.091 0.026 1.00 3.54 N ATOM 0 H ARG A 669 -6.284 7.114 -1.361 1.00 24.23 H new ATOM 0 HA ARG A 669 -7.305 9.062 -3.214 1.00 35.45 H new ATOM 0 HB2 ARG A 669 -7.268 8.591 -0.394 1.00 74.35 H new ATOM 0 HB3 ARG A 669 -6.501 10.145 -0.656 1.00 74.35 H new ATOM 0 HG2 ARG A 669 -8.609 10.960 -0.643 1.00 11.54 H new ATOM 0 HG3 ARG A 669 -8.677 10.388 -2.298 1.00 11.54 H new ATOM 0 HD2 ARG A 669 -9.684 8.273 -1.586 1.00 22.31 H new ATOM 0 HD3 ARG A 669 -9.476 8.695 0.102 1.00 22.31 H new ATOM 0 HE ARG A 669 -11.582 9.627 -1.699 1.00 42.34 H new ATOM 0 HH11 ARG A 669 -9.738 10.303 1.236 1.00 63.52 H new ATOM 0 HH12 ARG A 669 -11.003 11.321 1.933 1.00 63.52 H new ATOM 0 HH21 ARG A 669 -13.201 10.937 -0.795 1.00 3.54 H new ATOM 0 HH22 ARG A 669 -12.953 11.678 0.789 1.00 3.54 H new ATOM 1148 N TYR A 670 -4.192 9.211 -2.199 1.00 41.21 N ATOM 1149 CA TYR A 670 -2.907 9.859 -2.434 1.00 33.10 C ATOM 1150 C TYR A 670 -2.354 9.491 -3.807 1.00 44.12 C ATOM 1151 O TYR A 670 -1.802 10.334 -4.514 1.00 12.34 O ATOM 1152 CB TYR A 670 -1.907 9.464 -1.346 1.00 71.10 C ATOM 1153 CG TYR A 670 -2.006 10.310 -0.097 1.00 3.13 C ATOM 1154 CD1 TYR A 670 -1.586 11.635 -0.096 1.00 30.33 C ATOM 1155 CD2 TYR A 670 -2.520 9.786 1.083 1.00 24.43 C ATOM 1156 CE1 TYR A 670 -1.674 12.411 1.044 1.00 61.14 C ATOM 1157 CE2 TYR A 670 -2.613 10.555 2.226 1.00 24.20 C ATOM 1158 CZ TYR A 670 -2.188 11.867 2.202 1.00 24.32 C ATOM 1159 OH TYR A 670 -2.278 12.637 3.339 1.00 52.12 O ATOM 0 H TYR A 670 -4.146 8.389 -1.597 1.00 41.21 H new ATOM 0 HA TYR A 670 -3.061 10.938 -2.402 1.00 33.10 H new ATOM 0 HB2 TYR A 670 -2.066 8.419 -1.080 1.00 71.10 H new ATOM 0 HB3 TYR A 670 -0.897 9.541 -1.748 1.00 71.10 H new ATOM 0 HD1 TYR A 670 -1.184 12.065 -1.001 1.00 30.33 H new ATOM 0 HD2 TYR A 670 -2.853 8.759 1.106 1.00 24.43 H new ATOM 0 HE1 TYR A 670 -1.342 13.439 1.028 1.00 61.14 H new ATOM 0 HE2 TYR A 670 -3.016 10.131 3.134 1.00 24.20 H new ATOM 0 HH TYR A 670 -2.663 12.104 4.066 1.00 52.12 H new ATOM 1169 N VAL A 671 -2.506 8.224 -4.179 1.00 33.21 N ATOM 1170 CA VAL A 671 -2.024 7.742 -5.468 1.00 31.41 C ATOM 1171 C VAL A 671 -2.794 8.382 -6.617 1.00 34.50 C ATOM 1172 O VAL A 671 -2.251 8.595 -7.701 1.00 14.41 O ATOM 1173 CB VAL A 671 -2.144 6.209 -5.575 1.00 5.53 C ATOM 1174 CG1 VAL A 671 -3.595 5.800 -5.773 1.00 33.44 C ATOM 1175 CG2 VAL A 671 -1.273 5.686 -6.706 1.00 21.40 C ATOM 0 H VAL A 671 -2.959 7.513 -3.606 1.00 33.21 H new ATOM 0 HA VAL A 671 -0.973 8.023 -5.538 1.00 31.41 H new ATOM 0 HB VAL A 671 -1.792 5.767 -4.643 1.00 5.53 H new ATOM 0 HG11 VAL A 671 -3.660 4.714 -5.846 1.00 33.44 H new ATOM 0 HG12 VAL A 671 -4.189 6.143 -4.925 1.00 33.44 H new ATOM 0 HG13 VAL A 671 -3.978 6.249 -6.689 1.00 33.44 H new ATOM 0 HG21 VAL A 671 -1.369 4.602 -6.768 1.00 21.40 H new ATOM 0 HG22 VAL A 671 -1.592 6.133 -7.648 1.00 21.40 H new ATOM 0 HG23 VAL A 671 -0.232 5.947 -6.515 1.00 21.40 H new ATOM 1185 N THR A 672 -4.065 8.687 -6.373 1.00 2.21 N ATOM 1186 CA THR A 672 -4.912 9.303 -7.388 1.00 4.14 C ATOM 1187 C THR A 672 -4.624 10.795 -7.512 1.00 22.23 C ATOM 1188 O THR A 672 -4.807 11.385 -8.576 1.00 23.42 O ATOM 1189 CB THR A 672 -6.406 9.104 -7.069 1.00 22.15 C ATOM 1190 OG1 THR A 672 -6.717 7.707 -7.032 1.00 42.31 O ATOM 1191 CG2 THR A 672 -7.277 9.796 -8.105 1.00 41.14 C ATOM 0 H THR A 672 -4.531 8.518 -5.481 1.00 2.21 H new ATOM 0 HA THR A 672 -4.682 8.812 -8.333 1.00 4.14 H new ATOM 0 HB THR A 672 -6.609 9.546 -6.094 1.00 22.15 H new ATOM 0 HG1 THR A 672 -6.747 7.403 -6.101 1.00 42.31 H new ATOM 0 HG21 THR A 672 -8.328 9.642 -7.859 1.00 41.14 H new ATOM 0 HG22 THR A 672 -7.058 10.864 -8.109 1.00 41.14 H new ATOM 0 HG23 THR A 672 -7.070 9.379 -9.091 1.00 41.14 H new ATOM 1199 N SER A 673 -4.173 11.398 -6.418 1.00 2.53 N ATOM 1200 CA SER A 673 -3.863 12.823 -6.403 1.00 41.41 C ATOM 1201 C SER A 673 -2.594 13.111 -7.201 1.00 11.01 C ATOM 1202 O SER A 673 -2.474 14.158 -7.840 1.00 23.54 O ATOM 1203 CB SER A 673 -3.697 13.317 -4.965 1.00 54.32 C ATOM 1204 OG SER A 673 -3.357 14.692 -4.934 1.00 41.12 O ATOM 0 H SER A 673 -4.014 10.922 -5.530 1.00 2.53 H new ATOM 0 HA SER A 673 -4.693 13.354 -6.868 1.00 41.41 H new ATOM 0 HB2 SER A 673 -4.623 13.156 -4.413 1.00 54.32 H new ATOM 0 HB3 SER A 673 -2.922 12.736 -4.465 1.00 54.32 H new ATOM 0 HG SER A 673 -3.258 14.984 -4.004 1.00 41.12 H new ATOM 1210 N CYS A 674 -1.652 12.176 -7.159 1.00 61.23 N ATOM 1211 CA CYS A 674 -0.392 12.328 -7.878 1.00 31.22 C ATOM 1212 C CYS A 674 -0.507 11.788 -9.300 1.00 12.24 C ATOM 1213 O CYS A 674 -0.159 12.470 -10.264 1.00 43.33 O ATOM 1214 CB CYS A 674 0.733 11.605 -7.135 1.00 34.14 C ATOM 1215 SG CYS A 674 2.305 11.571 -8.027 1.00 4.32 S ATOM 0 H CYS A 674 -1.736 11.305 -6.635 1.00 61.23 H new ATOM 0 HA CYS A 674 -0.159 13.392 -7.931 1.00 31.22 H new ATOM 0 HB2 CYS A 674 0.886 12.088 -6.170 1.00 34.14 H new ATOM 0 HB3 CYS A 674 0.420 10.581 -6.933 1.00 34.14 H new ATOM 0 HG CYS A 674 3.091 12.494 -7.557 1.00 4.32 H new ATOM 1221 N LEU A 675 -0.997 10.560 -9.422 1.00 31.21 N ATOM 1222 CA LEU A 675 -1.157 9.926 -10.727 1.00 0.03 C ATOM 1223 C LEU A 675 -2.279 10.590 -11.519 1.00 65.54 C ATOM 1224 O LEU A 675 -2.262 10.596 -12.751 1.00 4.33 O ATOM 1225 CB LEU A 675 -1.449 8.434 -10.559 1.00 61.13 C ATOM 1226 CG LEU A 675 -0.839 7.508 -11.612 1.00 52.41 C ATOM 1227 CD1 LEU A 675 -1.363 7.857 -12.997 1.00 32.21 C ATOM 1228 CD2 LEU A 675 0.680 7.591 -11.579 1.00 34.50 C ATOM 0 H LEU A 675 -1.291 9.983 -8.634 1.00 31.21 H new ATOM 0 HA LEU A 675 -0.225 10.047 -11.280 1.00 0.03 H new ATOM 0 HB2 LEU A 675 -1.090 8.122 -9.578 1.00 61.13 H new ATOM 0 HB3 LEU A 675 -2.530 8.293 -10.563 1.00 61.13 H new ATOM 0 HG LEU A 675 -1.133 6.484 -11.382 1.00 52.41 H new ATOM 0 HD11 LEU A 675 -0.918 7.188 -13.734 1.00 32.21 H new ATOM 0 HD12 LEU A 675 -2.447 7.746 -13.014 1.00 32.21 H new ATOM 0 HD13 LEU A 675 -1.100 8.887 -13.237 1.00 32.21 H new ATOM 0 HD21 LEU A 675 1.097 6.926 -12.335 1.00 34.50 H new ATOM 0 HD22 LEU A 675 0.993 8.615 -11.784 1.00 34.50 H new ATOM 0 HD23 LEU A 675 1.039 7.292 -10.594 1.00 34.50 H new ATOM 1240 N ARG A 676 -3.252 11.147 -10.806 1.00 44.55 N ATOM 1241 CA ARG A 676 -4.380 11.815 -11.443 1.00 74.51 C ATOM 1242 C ARG A 676 -5.284 10.804 -12.144 1.00 64.22 C ATOM 1243 O ARG A 676 -6.368 10.480 -11.657 1.00 43.43 O ATOM 1244 CB ARG A 676 -3.884 12.855 -12.448 1.00 73.24 C ATOM 1245 CG ARG A 676 -4.258 14.282 -12.083 1.00 34.11 C ATOM 1246 CD ARG A 676 -4.105 15.219 -13.270 1.00 4.33 C ATOM 1247 NE ARG A 676 -5.285 15.214 -14.129 1.00 52.41 N ATOM 1248 CZ ARG A 676 -6.425 15.822 -13.815 1.00 61.43 C ATOM 1249 NH1 ARG A 676 -6.536 16.479 -12.670 1.00 3.30 N ATOM 1250 NH2 ARG A 676 -7.456 15.771 -14.649 1.00 42.02 N ATOM 0 H ARG A 676 -3.282 11.149 -9.786 1.00 44.55 H new ATOM 0 HA ARG A 676 -4.958 12.318 -10.667 1.00 74.51 H new ATOM 0 HB2 ARG A 676 -2.799 12.782 -12.528 1.00 73.24 H new ATOM 0 HB3 ARG A 676 -4.293 12.621 -13.431 1.00 73.24 H new ATOM 0 HG2 ARG A 676 -5.288 14.310 -11.727 1.00 34.11 H new ATOM 0 HG3 ARG A 676 -3.628 14.626 -11.263 1.00 34.11 H new ATOM 0 HD2 ARG A 676 -3.923 16.232 -12.911 1.00 4.33 H new ATOM 0 HD3 ARG A 676 -3.232 14.926 -13.853 1.00 4.33 H new ATOM 0 HE ARG A 676 -5.232 14.717 -15.018 1.00 52.41 H new ATOM 0 HH11 ARG A 676 -5.746 16.519 -12.027 1.00 3.30 H new ATOM 0 HH12 ARG A 676 -7.412 16.944 -12.432 1.00 3.30 H new ATOM 0 HH21 ARG A 676 -7.374 15.265 -15.531 1.00 42.02 H new ATOM 0 HH22 ARG A 676 -8.330 16.237 -14.408 1.00 42.02 H new ATOM 1264 N LYS A 677 -4.830 10.308 -13.290 1.00 40.44 N ATOM 1265 CA LYS A 677 -5.595 9.334 -14.059 1.00 50.33 C ATOM 1266 C LYS A 677 -4.827 8.898 -15.303 1.00 33.12 C ATOM 1267 O LYS A 677 -4.218 9.719 -15.990 1.00 32.15 O ATOM 1268 CB LYS A 677 -6.949 9.922 -14.464 1.00 12.42 C ATOM 1269 CG LYS A 677 -7.717 9.059 -15.449 1.00 32.13 C ATOM 1270 CD LYS A 677 -9.218 9.253 -15.308 1.00 54.45 C ATOM 1271 CE LYS A 677 -9.831 8.210 -14.387 1.00 11.31 C ATOM 1272 NZ LYS A 677 -10.499 7.120 -15.150 1.00 34.34 N ATOM 0 H LYS A 677 -3.935 10.565 -13.707 1.00 40.44 H new ATOM 0 HA LYS A 677 -5.759 8.460 -13.429 1.00 50.33 H new ATOM 0 HB2 LYS A 677 -7.555 10.065 -13.570 1.00 12.42 H new ATOM 0 HB3 LYS A 677 -6.791 10.907 -14.903 1.00 12.42 H new ATOM 0 HG2 LYS A 677 -7.411 9.306 -16.466 1.00 32.13 H new ATOM 0 HG3 LYS A 677 -7.468 8.010 -15.287 1.00 32.13 H new ATOM 0 HD2 LYS A 677 -9.422 10.250 -14.917 1.00 54.45 H new ATOM 0 HD3 LYS A 677 -9.687 9.194 -16.290 1.00 54.45 H new ATOM 0 HE2 LYS A 677 -9.054 7.785 -13.752 1.00 11.31 H new ATOM 0 HE3 LYS A 677 -10.555 8.688 -13.728 1.00 11.31 H new ATOM 0 HZ1 LYS A 677 -10.904 6.429 -14.486 1.00 34.34 H new ATOM 0 HZ2 LYS A 677 -11.257 7.522 -15.737 1.00 34.34 H new ATOM 0 HZ3 LYS A 677 -9.803 6.646 -15.760 1.00 34.34 H new ATOM 1286 N LYS A 678 -4.861 7.601 -15.589 1.00 53.01 N ATOM 1287 CA LYS A 678 -4.171 7.055 -16.752 1.00 43.04 C ATOM 1288 C LYS A 678 -5.165 6.663 -17.841 1.00 30.23 C ATOM 1289 O LYS A 678 -5.191 7.303 -18.890 1.00 51.01 O ATOM 1290 CB LYS A 678 -3.333 5.839 -16.349 1.00 41.33 C ATOM 1291 CG LYS A 678 -2.212 5.523 -17.324 1.00 43.41 C ATOM 1292 CD LYS A 678 -1.542 4.200 -16.993 1.00 21.00 C ATOM 1293 CE LYS A 678 -0.996 3.525 -18.242 1.00 34.35 C ATOM 1294 NZ LYS A 678 0.445 3.836 -18.455 1.00 72.14 N ATOM 0 H LYS A 678 -5.359 6.908 -15.031 1.00 53.01 H new ATOM 0 HA LYS A 678 -3.512 7.828 -17.148 1.00 43.04 H new ATOM 0 HB2 LYS A 678 -2.906 6.014 -15.362 1.00 41.33 H new ATOM 0 HB3 LYS A 678 -3.986 4.970 -16.265 1.00 41.33 H new ATOM 0 HG2 LYS A 678 -2.610 5.487 -18.338 1.00 43.41 H new ATOM 0 HG3 LYS A 678 -1.472 6.323 -17.300 1.00 43.41 H new ATOM 0 HD2 LYS A 678 -0.731 4.369 -16.285 1.00 21.00 H new ATOM 0 HD3 LYS A 678 -2.259 3.540 -16.505 1.00 21.00 H new ATOM 0 HE2 LYS A 678 -1.126 2.446 -18.158 1.00 34.35 H new ATOM 0 HE3 LYS A 678 -1.570 3.849 -19.110 1.00 34.35 H new ATOM 0 HZ1 LYS A 678 0.780 3.358 -19.316 1.00 72.14 H new ATOM 0 HZ2 LYS A 678 0.567 4.863 -18.560 1.00 72.14 H new ATOM 0 HZ3 LYS A 678 0.996 3.504 -17.638 1.00 72.14 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.663 4.019 -3.819 1.00 71.31 N ATOM 1310 CA THR B 389 15.228 4.206 -3.649 1.00 13.12 C ATOM 1311 C THR B 389 14.589 2.987 -2.995 1.00 34.14 C ATOM 1312 O THR B 389 15.280 2.050 -2.594 1.00 11.42 O ATOM 1313 CB THR B 389 14.532 4.476 -4.996 1.00 63.40 C ATOM 1314 OG1 THR B 389 15.493 4.449 -6.057 1.00 23.41 O ATOM 1315 CG2 THR B 389 13.825 5.822 -4.980 1.00 13.52 C ATOM 0 HA THR B 389 15.097 5.073 -3.002 1.00 13.12 H new ATOM 0 HB THR B 389 13.789 3.696 -5.159 1.00 63.40 H new ATOM 0 HG1 THR B 389 16.325 4.044 -5.735 1.00 23.41 H new ATOM 0 HG21 THR B 389 13.341 5.990 -5.942 1.00 13.52 H new ATOM 0 HG22 THR B 389 13.074 5.829 -4.190 1.00 13.52 H new ATOM 0 HG23 THR B 389 14.552 6.613 -4.797 1.00 13.52 H new ATOM 1323 N TRP B 390 13.264 3.004 -2.890 1.00 23.34 N ATOM 1324 CA TRP B 390 12.531 1.898 -2.284 1.00 50.33 C ATOM 1325 C TRP B 390 12.241 0.810 -3.312 1.00 74.11 C ATOM 1326 O TRP B 390 12.485 0.989 -4.505 1.00 53.25 O ATOM 1327 CB TRP B 390 11.223 2.401 -1.672 1.00 23.04 C ATOM 1328 CG TRP B 390 11.357 2.808 -0.235 1.00 40.45 C ATOM 1329 CD1 TRP B 390 12.094 3.848 0.256 1.00 74.42 C ATOM 1330 CD2 TRP B 390 10.740 2.181 0.894 1.00 11.00 C ATOM 1331 NE1 TRP B 390 11.971 3.905 1.624 1.00 4.31 N ATOM 1332 CE2 TRP B 390 11.146 2.894 2.040 1.00 54.42 C ATOM 1333 CE3 TRP B 390 9.883 1.088 1.050 1.00 40.55 C ATOM 1334 CZ2 TRP B 390 10.723 2.547 3.320 1.00 15.51 C ATOM 1335 CZ3 TRP B 390 9.465 0.745 2.322 1.00 40.51 C ATOM 1336 CH2 TRP B 390 9.884 1.474 3.443 1.00 2.20 C ATOM 0 H TRP B 390 12.676 3.771 -3.216 1.00 23.34 H new ATOM 0 HA TRP B 390 13.152 1.471 -1.496 1.00 50.33 H new ATOM 0 HB2 TRP B 390 10.863 3.251 -2.251 1.00 23.04 H new ATOM 0 HB3 TRP B 390 10.468 1.619 -1.752 1.00 23.04 H new ATOM 0 HD1 TRP B 390 12.686 4.525 -0.342 1.00 74.42 H new ATOM 0 HE1 TRP B 390 12.421 4.590 2.231 1.00 4.31 H new ATOM 0 HE3 TRP B 390 9.553 0.521 0.192 1.00 40.55 H new ATOM 0 HZ2 TRP B 390 11.046 3.106 4.186 1.00 15.51 H new ATOM 0 HZ3 TRP B 390 8.804 -0.099 2.454 1.00 40.51 H new ATOM 0 HH2 TRP B 390 9.537 1.183 4.424 1.00 2.20 H new ATOM 1347 N ARG B 391 11.717 -0.317 -2.842 1.00 24.14 N ATOM 1348 CA ARG B 391 11.395 -1.435 -3.722 1.00 12.51 C ATOM 1349 C ARG B 391 10.205 -2.225 -3.183 1.00 41.22 C ATOM 1350 O ARG B 391 9.822 -2.074 -2.022 1.00 71.44 O ATOM 1351 CB ARG B 391 12.605 -2.357 -3.876 1.00 24.01 C ATOM 1352 CG ARG B 391 13.115 -2.918 -2.558 1.00 41.25 C ATOM 1353 CD ARG B 391 14.561 -3.376 -2.669 1.00 53.51 C ATOM 1354 NE ARG B 391 14.755 -4.314 -3.772 1.00 3.13 N ATOM 1355 CZ ARG B 391 15.942 -4.593 -4.298 1.00 61.53 C ATOM 1356 NH1 ARG B 391 17.035 -4.011 -3.826 1.00 10.33 N ATOM 1357 NH2 ARG B 391 16.037 -5.459 -5.300 1.00 24.14 N ATOM 0 H ARG B 391 11.506 -0.481 -1.858 1.00 24.14 H new ATOM 0 HA ARG B 391 11.129 -1.031 -4.699 1.00 12.51 H new ATOM 0 HB2 ARG B 391 12.340 -3.184 -4.535 1.00 24.01 H new ATOM 0 HB3 ARG B 391 13.410 -1.807 -4.363 1.00 24.01 H new ATOM 0 HG2 ARG B 391 13.032 -2.158 -1.781 1.00 41.25 H new ATOM 0 HG3 ARG B 391 12.489 -3.756 -2.252 1.00 41.25 H new ATOM 0 HD2 ARG B 391 15.206 -2.509 -2.813 1.00 53.51 H new ATOM 0 HD3 ARG B 391 14.865 -3.848 -1.734 1.00 53.51 H new ATOM 0 HE ARG B 391 13.934 -4.780 -4.159 1.00 3.13 H new ATOM 0 HH11 ARG B 391 16.967 -3.346 -3.056 1.00 10.33 H new ATOM 0 HH12 ARG B 391 17.945 -4.228 -4.233 1.00 10.33 H new ATOM 0 HH21 ARG B 391 15.198 -5.910 -5.666 1.00 24.14 H new ATOM 0 HH22 ARG B 391 16.949 -5.673 -5.704 1.00 24.14 H new ATOM 1371 N VAL B 392 9.626 -3.067 -4.033 1.00 42.41 N ATOM 1372 CA VAL B 392 8.482 -3.880 -3.643 1.00 35.23 C ATOM 1373 C VAL B 392 8.644 -5.321 -4.117 1.00 2.52 C ATOM 1374 O VAL B 392 9.259 -5.577 -5.152 1.00 11.14 O ATOM 1375 CB VAL B 392 7.168 -3.310 -4.210 1.00 11.14 C ATOM 1376 CG1 VAL B 392 6.993 -3.716 -5.665 1.00 22.23 C ATOM 1377 CG2 VAL B 392 5.983 -3.770 -3.374 1.00 1.31 C ATOM 0 H VAL B 392 9.931 -3.203 -4.997 1.00 42.41 H new ATOM 0 HA VAL B 392 8.438 -3.861 -2.554 1.00 35.23 H new ATOM 0 HB VAL B 392 7.215 -2.222 -4.165 1.00 11.14 H new ATOM 0 HG11 VAL B 392 6.059 -3.304 -6.048 1.00 22.23 H new ATOM 0 HG12 VAL B 392 7.827 -3.332 -6.253 1.00 22.23 H new ATOM 0 HG13 VAL B 392 6.967 -4.803 -5.739 1.00 22.23 H new ATOM 0 HG21 VAL B 392 5.063 -3.358 -3.789 1.00 1.31 H new ATOM 0 HG22 VAL B 392 5.930 -4.859 -3.385 1.00 1.31 H new ATOM 0 HG23 VAL B 392 6.105 -3.423 -2.348 1.00 1.31 H new ATOM 1387 N GLN B 393 8.088 -6.256 -3.353 1.00 3.44 N ATOM 1388 CA GLN B 393 8.172 -7.670 -3.695 1.00 61.13 C ATOM 1389 C GLN B 393 6.827 -8.360 -3.493 1.00 3.41 C ATOM 1390 O GLN B 393 6.490 -8.769 -2.382 1.00 54.51 O ATOM 1391 CB GLN B 393 9.244 -8.358 -2.848 1.00 64.34 C ATOM 1392 CG GLN B 393 10.627 -7.746 -3.001 1.00 54.51 C ATOM 1393 CD GLN B 393 11.473 -7.896 -1.753 1.00 4.53 C ATOM 1394 OE1 GLN B 393 12.386 -8.720 -1.702 1.00 31.50 O ATOM 1395 NE2 GLN B 393 11.174 -7.097 -0.734 1.00 52.13 N ATOM 0 H GLN B 393 7.575 -6.059 -2.494 1.00 3.44 H new ATOM 0 HA GLN B 393 8.445 -7.748 -4.747 1.00 61.13 H new ATOM 0 HB2 GLN B 393 8.950 -8.313 -1.799 1.00 64.34 H new ATOM 0 HB3 GLN B 393 9.290 -9.412 -3.122 1.00 64.34 H new ATOM 0 HG2 GLN B 393 11.138 -8.218 -3.840 1.00 54.51 H new ATOM 0 HG3 GLN B 393 10.527 -6.688 -3.242 1.00 54.51 H new ATOM 0 HE21 GLN B 393 10.409 -6.428 -0.818 1.00 52.13 H new ATOM 0 HE22 GLN B 393 11.710 -7.153 0.132 1.00 52.13 H new ATOM 1404 N ARG B 394 6.064 -8.485 -4.574 1.00 33.12 N ATOM 1405 CA ARG B 394 4.754 -9.124 -4.514 1.00 22.03 C ATOM 1406 C ARG B 394 4.883 -10.591 -4.112 1.00 11.25 C ATOM 1407 O ARG B 394 5.939 -11.201 -4.281 1.00 11.13 O ATOM 1408 CB ARG B 394 4.048 -9.016 -5.867 1.00 44.50 C ATOM 1409 CG ARG B 394 4.930 -9.396 -7.046 1.00 12.24 C ATOM 1410 CD ARG B 394 5.187 -8.204 -7.955 1.00 54.22 C ATOM 1411 NE ARG B 394 4.393 -8.268 -9.179 1.00 33.01 N ATOM 1412 CZ ARG B 394 4.502 -7.393 -10.172 1.00 53.31 C ATOM 1413 NH1 ARG B 394 5.367 -6.392 -10.087 1.00 15.11 N ATOM 1414 NH2 ARG B 394 3.744 -7.518 -11.255 1.00 10.13 N ATOM 0 H ARG B 394 6.330 -8.153 -5.501 1.00 33.12 H new ATOM 0 HA ARG B 394 4.160 -8.608 -3.759 1.00 22.03 H new ATOM 0 HB2 ARG B 394 3.168 -9.659 -5.860 1.00 44.50 H new ATOM 0 HB3 ARG B 394 3.695 -7.994 -6.003 1.00 44.50 H new ATOM 0 HG2 ARG B 394 5.879 -9.788 -6.681 1.00 12.24 H new ATOM 0 HG3 ARG B 394 4.454 -10.194 -7.616 1.00 12.24 H new ATOM 0 HD2 ARG B 394 4.955 -7.283 -7.420 1.00 54.22 H new ATOM 0 HD3 ARG B 394 6.246 -8.165 -8.211 1.00 54.22 H new ATOM 0 HE ARG B 394 3.718 -9.026 -9.277 1.00 33.01 H new ATOM 0 HH11 ARG B 394 5.951 -6.292 -9.257 1.00 15.11 H new ATOM 0 HH12 ARG B 394 5.448 -5.722 -10.852 1.00 15.11 H new ATOM 0 HH21 ARG B 394 3.077 -8.287 -11.325 1.00 10.13 H new ATOM 0 HH22 ARG B 394 3.829 -6.845 -12.017 1.00 10.13 H new ATOM 1428 N SER B 395 3.801 -11.149 -3.578 1.00 3.11 N ATOM 1429 CA SER B 395 3.794 -12.542 -3.147 1.00 5.22 C ATOM 1430 C SER B 395 2.590 -13.283 -3.721 1.00 11.53 C ATOM 1431 O SER B 395 1.796 -12.711 -4.469 1.00 25.32 O ATOM 1432 CB SER B 395 3.777 -12.625 -1.619 1.00 74.41 C ATOM 1433 OG SER B 395 4.425 -13.801 -1.166 1.00 32.14 O ATOM 0 H SER B 395 2.919 -10.658 -3.434 1.00 3.11 H new ATOM 0 HA SER B 395 4.702 -13.016 -3.520 1.00 5.22 H new ATOM 0 HB2 SER B 395 4.270 -11.749 -1.198 1.00 74.41 H new ATOM 0 HB3 SER B 395 2.747 -12.613 -1.262 1.00 74.41 H new ATOM 0 HG SER B 395 4.403 -13.830 -0.187 1.00 32.14 H new ATOM 1439 N GLN B 396 2.461 -14.556 -3.365 1.00 64.23 N ATOM 1440 CA GLN B 396 1.355 -15.375 -3.846 1.00 53.41 C ATOM 1441 C GLN B 396 0.014 -14.750 -3.475 1.00 41.14 C ATOM 1442 O GLN B 396 -0.996 -14.988 -4.136 1.00 61.35 O ATOM 1443 CB GLN B 396 1.450 -16.787 -3.266 1.00 75.44 C ATOM 1444 CG GLN B 396 1.225 -16.845 -1.764 1.00 73.44 C ATOM 1445 CD GLN B 396 1.665 -18.164 -1.160 1.00 10.25 C ATOM 1446 OE1 GLN B 396 2.845 -18.513 -1.192 1.00 51.30 O ATOM 1447 NE2 GLN B 396 0.715 -18.906 -0.602 1.00 20.31 N ATOM 0 H GLN B 396 3.108 -15.043 -2.745 1.00 64.23 H new ATOM 0 HA GLN B 396 1.422 -15.430 -4.933 1.00 53.41 H new ATOM 0 HB2 GLN B 396 0.716 -17.424 -3.760 1.00 75.44 H new ATOM 0 HB3 GLN B 396 2.433 -17.199 -3.494 1.00 75.44 H new ATOM 0 HG2 GLN B 396 1.771 -16.031 -1.287 1.00 73.44 H new ATOM 0 HG3 GLN B 396 0.167 -16.687 -1.552 1.00 73.44 H new ATOM 0 HE21 GLN B 396 -0.251 -18.579 -0.597 1.00 20.31 H new ATOM 0 HE22 GLN B 396 0.952 -19.803 -0.178 1.00 20.31 H new ATOM 1456 N ASN B 397 0.013 -13.948 -2.415 1.00 74.34 N ATOM 1457 CA ASN B 397 -1.205 -13.290 -1.957 1.00 1.43 C ATOM 1458 C ASN B 397 -1.962 -12.670 -3.127 1.00 72.21 C ATOM 1459 O ASN B 397 -1.417 -12.464 -4.212 1.00 1.03 O ATOM 1460 CB ASN B 397 -0.867 -12.211 -0.925 1.00 13.12 C ATOM 1461 CG ASN B 397 -0.875 -12.746 0.494 1.00 21.33 C ATOM 1462 OD1 ASN B 397 -0.009 -13.533 0.877 1.00 44.40 O ATOM 1463 ND2 ASN B 397 -1.855 -12.321 1.282 1.00 42.30 N ATOM 0 H ASN B 397 0.841 -13.738 -1.858 1.00 74.34 H new ATOM 0 HA ASN B 397 -1.843 -14.042 -1.493 1.00 1.43 H new ATOM 0 HB2 ASN B 397 0.115 -11.794 -1.148 1.00 13.12 H new ATOM 0 HB3 ASN B 397 -1.586 -11.396 -1.007 1.00 13.12 H new ATOM 0 HD21 ASN B 397 -1.911 -12.647 2.247 1.00 42.30 H new ATOM 0 HD22 ASN B 397 -2.552 -11.668 0.923 1.00 42.30 H new ATOM 1470 N PRO B 398 -3.249 -12.365 -2.905 1.00 33.35 N ATOM 1471 CA PRO B 398 -4.109 -11.765 -3.928 1.00 1.53 C ATOM 1472 C PRO B 398 -3.720 -10.323 -4.239 1.00 1.21 C ATOM 1473 O PRO B 398 -4.056 -9.793 -5.299 1.00 44.00 O ATOM 1474 CB PRO B 398 -5.503 -11.818 -3.297 1.00 24.24 C ATOM 1475 CG PRO B 398 -5.252 -11.834 -1.828 1.00 53.15 C ATOM 1476 CD PRO B 398 -3.963 -12.584 -1.636 1.00 15.14 C ATOM 0 HA PRO B 398 -4.037 -12.291 -4.880 1.00 1.53 H new ATOM 0 HB2 PRO B 398 -6.102 -10.955 -3.587 1.00 24.24 H new ATOM 0 HB3 PRO B 398 -6.048 -12.706 -3.615 1.00 24.24 H new ATOM 0 HG2 PRO B 398 -5.176 -10.821 -1.434 1.00 53.15 H new ATOM 0 HG3 PRO B 398 -6.070 -12.322 -1.298 1.00 53.15 H new ATOM 0 HD2 PRO B 398 -3.398 -12.201 -0.786 1.00 15.14 H new ATOM 0 HD3 PRO B 398 -4.138 -13.644 -1.451 1.00 15.14 H new ATOM 1484 N LEU B 399 -3.010 -9.693 -3.309 1.00 33.21 N ATOM 1485 CA LEU B 399 -2.574 -8.312 -3.483 1.00 70.33 C ATOM 1486 C LEU B 399 -1.687 -7.870 -2.324 1.00 61.11 C ATOM 1487 O LEU B 399 -2.012 -6.927 -1.604 1.00 11.20 O ATOM 1488 CB LEU B 399 -3.785 -7.384 -3.595 1.00 73.31 C ATOM 1489 CG LEU B 399 -3.665 -6.241 -4.603 1.00 43.23 C ATOM 1490 CD1 LEU B 399 -2.412 -5.422 -4.333 1.00 21.15 C ATOM 1491 CD2 LEU B 399 -3.653 -6.782 -6.025 1.00 32.30 C ATOM 0 H LEU B 399 -2.724 -10.117 -2.426 1.00 33.21 H new ATOM 0 HA LEU B 399 -1.993 -8.255 -4.403 1.00 70.33 H new ATOM 0 HB2 LEU B 399 -4.655 -7.985 -3.860 1.00 73.31 H new ATOM 0 HB3 LEU B 399 -3.981 -6.956 -2.612 1.00 73.31 H new ATOM 0 HG LEU B 399 -4.532 -5.591 -4.490 1.00 43.23 H new ATOM 0 HD11 LEU B 399 -2.343 -4.613 -5.060 1.00 21.15 H new ATOM 0 HD12 LEU B 399 -2.460 -5.004 -3.328 1.00 21.15 H new ATOM 0 HD13 LEU B 399 -1.534 -6.062 -4.418 1.00 21.15 H new ATOM 0 HD21 LEU B 399 -3.567 -5.954 -6.729 1.00 32.30 H new ATOM 0 HD22 LEU B 399 -2.805 -7.455 -6.151 1.00 32.30 H new ATOM 0 HD23 LEU B 399 -4.579 -7.325 -6.215 1.00 32.30 H new ATOM 1503 N LYS B 400 -0.562 -8.557 -2.152 1.00 32.22 N ATOM 1504 CA LYS B 400 0.375 -8.235 -1.082 1.00 61.13 C ATOM 1505 C LYS B 400 1.681 -7.690 -1.651 1.00 63.22 C ATOM 1506 O LYS B 400 2.388 -8.384 -2.381 1.00 64.41 O ATOM 1507 CB LYS B 400 0.655 -9.475 -0.231 1.00 22.24 C ATOM 1508 CG LYS B 400 1.493 -9.189 1.004 1.00 14.01 C ATOM 1509 CD LYS B 400 2.146 -10.452 1.540 1.00 43.44 C ATOM 1510 CE LYS B 400 1.242 -11.170 2.530 1.00 55.14 C ATOM 1511 NZ LYS B 400 1.728 -12.545 2.829 1.00 71.11 N ATOM 0 H LYS B 400 -0.277 -9.340 -2.740 1.00 32.22 H new ATOM 0 HA LYS B 400 -0.077 -7.467 -0.455 1.00 61.13 H new ATOM 0 HB2 LYS B 400 -0.293 -9.915 0.078 1.00 22.24 H new ATOM 0 HB3 LYS B 400 1.167 -10.217 -0.843 1.00 22.24 H new ATOM 0 HG2 LYS B 400 2.262 -8.456 0.761 1.00 14.01 H new ATOM 0 HG3 LYS B 400 0.864 -8.747 1.777 1.00 14.01 H new ATOM 0 HD2 LYS B 400 2.383 -11.120 0.712 1.00 43.44 H new ATOM 0 HD3 LYS B 400 3.089 -10.198 2.025 1.00 43.44 H new ATOM 0 HE2 LYS B 400 1.187 -10.595 3.455 1.00 55.14 H new ATOM 0 HE3 LYS B 400 0.231 -11.222 2.127 1.00 55.14 H new ATOM 0 HZ1 LYS B 400 1.528 -12.775 3.823 1.00 71.11 H new ATOM 0 HZ2 LYS B 400 1.242 -13.227 2.212 1.00 71.11 H new ATOM 0 HZ3 LYS B 400 2.753 -12.595 2.661 1.00 71.11 H new ATOM 1525 N ILE B 401 1.996 -6.444 -1.311 1.00 34.44 N ATOM 1526 CA ILE B 401 3.218 -5.809 -1.785 1.00 50.12 C ATOM 1527 C ILE B 401 4.127 -5.426 -0.622 1.00 34.24 C ATOM 1528 O ILE B 401 3.820 -4.511 0.143 1.00 23.15 O ATOM 1529 CB ILE B 401 2.911 -4.549 -2.617 1.00 71.32 C ATOM 1530 CG1 ILE B 401 1.500 -4.041 -2.312 1.00 60.42 C ATOM 1531 CG2 ILE B 401 3.064 -4.845 -4.102 1.00 31.45 C ATOM 1532 CD1 ILE B 401 1.263 -2.614 -2.754 1.00 64.35 C ATOM 0 H ILE B 401 1.421 -5.855 -0.709 1.00 34.44 H new ATOM 0 HA ILE B 401 3.727 -6.538 -2.416 1.00 50.12 H new ATOM 0 HB ILE B 401 3.624 -3.770 -2.346 1.00 71.32 H new ATOM 0 HG12 ILE B 401 0.775 -4.690 -2.803 1.00 60.42 H new ATOM 0 HG13 ILE B 401 1.320 -4.115 -1.240 1.00 60.42 H new ATOM 0 HG21 ILE B 401 2.844 -3.945 -4.677 1.00 31.45 H new ATOM 0 HG22 ILE B 401 4.086 -5.165 -4.306 1.00 31.45 H new ATOM 0 HG23 ILE B 401 2.372 -5.637 -4.388 1.00 31.45 H new ATOM 0 HD11 ILE B 401 0.243 -2.321 -2.506 1.00 64.35 H new ATOM 0 HD12 ILE B 401 1.964 -1.954 -2.244 1.00 64.35 H new ATOM 0 HD13 ILE B 401 1.411 -2.537 -3.831 1.00 64.35 H new ATOM 1544 N ARG B 402 5.245 -6.131 -0.495 1.00 63.01 N ATOM 1545 CA ARG B 402 6.199 -5.865 0.576 1.00 64.53 C ATOM 1546 C ARG B 402 7.150 -4.735 0.188 1.00 20.33 C ATOM 1547 O ARG B 402 8.103 -4.942 -0.565 1.00 52.30 O ATOM 1548 CB ARG B 402 6.998 -7.129 0.901 1.00 53.30 C ATOM 1549 CG ARG B 402 6.286 -8.068 1.861 1.00 60.12 C ATOM 1550 CD ARG B 402 7.088 -8.274 3.137 1.00 60.32 C ATOM 1551 NE ARG B 402 8.233 -9.155 2.927 1.00 20.00 N ATOM 1552 CZ ARG B 402 8.142 -10.479 2.871 1.00 11.13 C ATOM 1553 NH1 ARG B 402 6.964 -11.072 3.009 1.00 31.31 N ATOM 1554 NH2 ARG B 402 9.230 -11.213 2.678 1.00 45.22 N ATOM 0 H ARG B 402 5.514 -6.891 -1.120 1.00 63.01 H new ATOM 0 HA ARG B 402 5.640 -5.559 1.460 1.00 64.53 H new ATOM 0 HB2 ARG B 402 7.211 -7.663 -0.025 1.00 53.30 H new ATOM 0 HB3 ARG B 402 7.957 -6.842 1.331 1.00 53.30 H new ATOM 0 HG2 ARG B 402 5.305 -7.662 2.108 1.00 60.12 H new ATOM 0 HG3 ARG B 402 6.120 -9.029 1.375 1.00 60.12 H new ATOM 0 HD2 ARG B 402 7.436 -7.309 3.506 1.00 60.32 H new ATOM 0 HD3 ARG B 402 6.442 -8.696 3.907 1.00 60.32 H new ATOM 0 HE ARG B 402 9.154 -8.730 2.817 1.00 20.00 H new ATOM 0 HH11 ARG B 402 6.125 -10.511 3.159 1.00 31.31 H new ATOM 0 HH12 ARG B 402 6.897 -12.089 2.966 1.00 31.31 H new ATOM 0 HH21 ARG B 402 10.138 -10.761 2.572 1.00 45.22 H new ATOM 0 HH22 ARG B 402 9.158 -12.230 2.635 1.00 45.22 H new ATOM 1568 N LEU B 403 6.883 -3.542 0.708 1.00 44.03 N ATOM 1569 CA LEU B 403 7.714 -2.379 0.416 1.00 25.22 C ATOM 1570 C LEU B 403 8.918 -2.321 1.351 1.00 24.22 C ATOM 1571 O LEU B 403 8.796 -2.559 2.554 1.00 60.54 O ATOM 1572 CB LEU B 403 6.892 -1.096 0.544 1.00 3.21 C ATOM 1573 CG LEU B 403 6.015 -0.737 -0.656 1.00 65.43 C ATOM 1574 CD1 LEU B 403 6.823 -0.794 -1.944 1.00 33.12 C ATOM 1575 CD2 LEU B 403 4.814 -1.669 -0.736 1.00 4.40 C ATOM 0 H LEU B 403 6.099 -3.355 1.333 1.00 44.03 H new ATOM 0 HA LEU B 403 8.077 -2.470 -0.608 1.00 25.22 H new ATOM 0 HB2 LEU B 403 6.252 -1.184 1.422 1.00 3.21 H new ATOM 0 HB3 LEU B 403 7.576 -0.268 0.730 1.00 3.21 H new ATOM 0 HG LEU B 403 5.651 0.282 -0.524 1.00 65.43 H new ATOM 0 HD11 LEU B 403 6.182 -0.536 -2.787 1.00 33.12 H new ATOM 0 HD12 LEU B 403 7.650 -0.086 -1.886 1.00 33.12 H new ATOM 0 HD13 LEU B 403 7.216 -1.801 -2.082 1.00 33.12 H new ATOM 0 HD21 LEU B 403 4.201 -1.399 -1.596 1.00 4.40 H new ATOM 0 HD22 LEU B 403 5.158 -2.698 -0.844 1.00 4.40 H new ATOM 0 HD23 LEU B 403 4.222 -1.579 0.175 1.00 4.40 H new ATOM 1587 N THR B 404 10.081 -2.001 0.793 1.00 71.43 N ATOM 1588 CA THR B 404 11.307 -1.911 1.576 1.00 11.21 C ATOM 1589 C THR B 404 12.245 -0.852 1.010 1.00 42.42 C ATOM 1590 O THR B 404 12.330 -0.670 -0.205 1.00 21.15 O ATOM 1591 CB THR B 404 12.045 -3.262 1.623 1.00 33.12 C ATOM 1592 OG1 THR B 404 12.667 -3.524 0.360 1.00 21.12 O ATOM 1593 CG2 THR B 404 11.084 -4.392 1.964 1.00 22.24 C ATOM 0 H THR B 404 10.200 -1.800 -0.200 1.00 71.43 H new ATOM 0 HA THR B 404 11.015 -1.630 2.588 1.00 11.21 H new ATOM 0 HB THR B 404 12.808 -3.208 2.400 1.00 33.12 H new ATOM 0 HG1 THR B 404 13.136 -4.384 0.398 1.00 21.12 H new ATOM 0 HG21 THR B 404 11.628 -5.336 1.991 1.00 22.24 H new ATOM 0 HG22 THR B 404 10.633 -4.204 2.938 1.00 22.24 H new ATOM 0 HG23 THR B 404 10.302 -4.446 1.207 1.00 22.24 H new ATOM 1601 N ARG B 405 12.947 -0.155 1.897 1.00 64.20 N ATOM 1602 CA ARG B 405 13.880 0.887 1.484 1.00 32.43 C ATOM 1603 C ARG B 405 14.786 0.392 0.361 1.00 25.02 C ATOM 1604 O ARG B 405 15.779 -0.293 0.608 1.00 51.35 O ATOM 1605 CB ARG B 405 14.727 1.343 2.674 1.00 4.52 C ATOM 1606 CG ARG B 405 13.994 2.281 3.619 1.00 10.13 C ATOM 1607 CD ARG B 405 14.856 2.650 4.816 1.00 22.43 C ATOM 1608 NE ARG B 405 16.265 2.785 4.456 1.00 12.42 N ATOM 1609 CZ ARG B 405 16.739 3.772 3.703 1.00 12.33 C ATOM 1610 NH1 ARG B 405 15.921 4.706 3.236 1.00 61.20 N ATOM 1611 NH2 ARG B 405 18.034 3.828 3.419 1.00 43.10 N ATOM 0 H ARG B 405 12.888 -0.293 2.906 1.00 64.20 H new ATOM 0 HA ARG B 405 13.301 1.733 1.113 1.00 32.43 H new ATOM 0 HB2 ARG B 405 15.058 0.466 3.230 1.00 4.52 H new ATOM 0 HB3 ARG B 405 15.622 1.842 2.302 1.00 4.52 H new ATOM 0 HG2 ARG B 405 13.705 3.186 3.084 1.00 10.13 H new ATOM 0 HG3 ARG B 405 13.075 1.807 3.963 1.00 10.13 H new ATOM 0 HD2 ARG B 405 14.500 3.587 5.244 1.00 22.43 H new ATOM 0 HD3 ARG B 405 14.751 1.887 5.587 1.00 22.43 H new ATOM 0 HE ARG B 405 16.921 2.084 4.801 1.00 12.42 H new ATOM 0 HH11 ARG B 405 14.925 4.668 3.455 1.00 61.20 H new ATOM 0 HH12 ARG B 405 16.288 5.462 2.658 1.00 61.20 H new ATOM 0 HH21 ARG B 405 18.666 3.113 3.779 1.00 43.10 H new ATOM 0 HH22 ARG B 405 18.397 4.586 2.841 1.00 43.10 H new TER 1625 ARG B 405