USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ -120:sc= 0.473 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.131 K(o=0.6,f=-3.4!) USER MOD Set 2.1: A 48 SER OG : rot 75:sc= 0.232 USER MOD Set 2.2: A 51 GLN : amide:sc= 1.17 K(o=1.4,f=-6.2!) USER MOD Set 3.1: A 30 SER OG : rot 97:sc= 1.04 USER MOD Set 3.2: A 33 GLN : amide:sc= -0.742 K(o=0.3,f=-0.35) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 42 GLN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.519 K(o=-0.52,f=-4!) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0175 (180deg=-0.193) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 52 MET CE :methyl 164:sc= -0.35 (180deg=-1.21) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 56 SER OG : rot 22:sc= 0.922 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0382 F(o=-1.2,f=-0.038) USER MOD Single : A 60 ASN : amide:sc= -0.27 K(o=-0.27,f=-1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.0223 (180deg=-0.13) USER MOD Single : A 65 GLN : amide:sc= 0.708 K(o=0.71,f=-6.5!) USER MOD Single : A 68 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 72 ASN : amide:sc= -0.767 K(o=-0.77,f=-2.3!) USER MOD Single : A 73 GLN : amide:sc= -0.859 K(o=-0.86,f=-1.9!) USER MOD Single : A 75 MET CE :methyl -163:sc= -0.733 (180deg=-1.92) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 478 N SER A 30 8.483 1.007 2.924 1.00 0.00 N ATOM 479 CA SER A 30 8.954 1.870 4.001 1.00 0.00 C ATOM 480 C SER A 30 7.829 2.147 4.994 1.00 0.00 C ATOM 481 O SER A 30 6.650 1.992 4.658 1.00 0.00 O ATOM 482 CB SER A 30 9.473 3.186 3.421 1.00 0.00 C ATOM 483 OG SER A 30 10.403 2.955 2.375 1.00 0.00 O ATOM 0 HA SER A 30 9.764 1.364 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.637 3.775 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.946 3.772 4.209 1.00 0.00 H new ATOM 0 HG SER A 30 9.944 3.010 1.511 1.00 0.00 H new ATOM 489 N SER A 31 8.195 2.570 6.204 1.00 0.00 N ATOM 490 CA SER A 31 7.222 2.853 7.254 1.00 0.00 C ATOM 491 C SER A 31 6.164 3.838 6.766 1.00 0.00 C ATOM 492 O SER A 31 4.966 3.613 6.939 1.00 0.00 O ATOM 493 CB SER A 31 7.929 3.420 8.486 1.00 0.00 C ATOM 494 OG SER A 31 8.947 2.543 8.945 1.00 0.00 O ATOM 0 H SER A 31 9.165 2.724 6.480 1.00 0.00 H new ATOM 0 HA SER A 31 6.727 1.919 7.520 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.363 4.390 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.202 3.585 9.281 1.00 0.00 H new ATOM 0 HG SER A 31 9.383 2.931 9.732 1.00 0.00 H new ATOM 500 N THR A 32 6.622 4.917 6.134 1.00 0.00 N ATOM 501 CA THR A 32 5.734 5.943 5.612 1.00 0.00 C ATOM 502 C THR A 32 4.764 5.368 4.581 1.00 0.00 C ATOM 503 O THR A 32 3.576 5.680 4.591 1.00 0.00 O ATOM 504 CB THR A 32 6.548 7.080 4.966 1.00 0.00 C ATOM 505 OG1 THR A 32 7.657 7.415 5.811 1.00 0.00 O ATOM 506 CG2 THR A 32 5.685 8.312 4.741 1.00 0.00 C ATOM 0 H THR A 32 7.612 5.100 5.972 1.00 0.00 H new ATOM 0 HA THR A 32 5.159 6.335 6.451 1.00 0.00 H new ATOM 0 HB THR A 32 6.911 6.736 3.997 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.176 8.137 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.286 9.098 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.855 8.059 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.295 8.662 5.697 1.00 0.00 H new ATOM 514 N GLN A 33 5.279 4.508 3.711 1.00 0.00 N ATOM 515 CA GLN A 33 4.478 3.935 2.637 1.00 0.00 C ATOM 516 C GLN A 33 3.375 3.049 3.204 1.00 0.00 C ATOM 517 O GLN A 33 2.208 3.200 2.851 1.00 0.00 O ATOM 518 CB GLN A 33 5.363 3.122 1.689 1.00 0.00 C ATOM 519 CG GLN A 33 6.564 3.893 1.168 1.00 0.00 C ATOM 520 CD GLN A 33 7.437 3.060 0.250 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.655 3.219 0.223 1.00 0.00 O ATOM 522 NE2 GLN A 33 6.822 2.175 -0.512 1.00 0.00 N ATOM 0 H GLN A 33 6.249 4.192 3.728 1.00 0.00 H new ATOM 0 HA GLN A 33 4.019 4.752 2.081 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.712 2.229 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.763 2.786 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.219 4.777 0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.160 4.244 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.808 2.074 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.360 1.592 -1.153 1.00 0.00 H new ATOM 531 N LEU A 34 3.755 2.137 4.091 1.00 0.00 N ATOM 532 CA LEU A 34 2.800 1.225 4.715 1.00 0.00 C ATOM 533 C LEU A 34 1.725 1.987 5.483 1.00 0.00 C ATOM 534 O LEU A 34 0.538 1.673 5.377 1.00 0.00 O ATOM 535 CB LEU A 34 3.524 0.259 5.656 1.00 0.00 C ATOM 536 CG LEU A 34 4.434 -0.763 4.973 1.00 0.00 C ATOM 537 CD1 LEU A 34 5.174 -1.592 6.012 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.625 -1.662 4.050 1.00 0.00 C ATOM 0 H LEU A 34 4.720 2.008 4.396 1.00 0.00 H new ATOM 0 HA LEU A 34 2.315 0.658 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.122 0.841 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.778 -0.278 6.242 1.00 0.00 H new ATOM 0 HG LEU A 34 5.169 -0.226 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.817 -2.315 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.782 -0.936 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.453 -2.120 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.288 -2.383 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.869 -2.192 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.138 -1.055 3.287 1.00 0.00 H new ATOM 550 N CYS A 35 2.150 2.997 6.233 1.00 0.00 N ATOM 551 CA CYS A 35 1.242 3.781 7.060 1.00 0.00 C ATOM 552 C CYS A 35 0.168 4.460 6.210 1.00 0.00 C ATOM 553 O CYS A 35 -1.019 4.308 6.477 1.00 0.00 O ATOM 554 CB CYS A 35 2.025 4.827 7.864 1.00 0.00 C ATOM 555 SG CYS A 35 1.004 5.871 8.927 1.00 0.00 S ATOM 0 H CYS A 35 3.125 3.293 6.285 1.00 0.00 H new ATOM 0 HA CYS A 35 0.744 3.102 7.752 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.764 4.315 8.480 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.575 5.463 7.170 1.00 0.00 H new ATOM 0 HG CYS A 35 1.761 6.716 9.561 1.00 0.00 H new ATOM 561 N VAL A 36 0.590 5.178 5.173 1.00 0.00 N ATOM 562 CA VAL A 36 -0.337 5.939 4.338 1.00 0.00 C ATOM 563 C VAL A 36 -1.313 5.016 3.616 1.00 0.00 C ATOM 564 O VAL A 36 -2.511 5.296 3.547 1.00 0.00 O ATOM 565 CB VAL A 36 0.412 6.812 3.302 1.00 0.00 C ATOM 566 CG1 VAL A 36 -0.569 7.555 2.406 1.00 0.00 C ATOM 567 CG2 VAL A 36 1.336 7.798 4.000 1.00 0.00 C ATOM 0 H VAL A 36 1.567 5.249 4.890 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.896 6.595 5.005 1.00 0.00 H new ATOM 0 HB VAL A 36 1.014 6.151 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.018 8.161 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.191 6.836 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.201 8.201 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.853 8.402 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.750 8.447 4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.068 7.252 4.596 1.00 0.00 H new ATOM 577 N LEU A 37 -0.801 3.911 3.089 1.00 0.00 N ATOM 578 CA LEU A 37 -1.635 2.953 2.374 1.00 0.00 C ATOM 579 C LEU A 37 -2.680 2.349 3.306 1.00 0.00 C ATOM 580 O LEU A 37 -3.865 2.301 2.976 1.00 0.00 O ATOM 581 CB LEU A 37 -0.771 1.848 1.758 1.00 0.00 C ATOM 582 CG LEU A 37 0.202 2.310 0.669 1.00 0.00 C ATOM 583 CD1 LEU A 37 1.074 1.154 0.203 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.559 2.907 -0.504 1.00 0.00 C ATOM 0 H LEU A 37 0.185 3.656 3.143 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.152 3.480 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.200 1.370 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.428 1.088 1.336 1.00 0.00 H new ATOM 0 HG LEU A 37 0.849 3.079 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.758 1.503 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.646 0.767 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.443 0.362 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.147 3.230 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.229 2.156 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.141 3.763 -0.162 1.00 0.00 H new ATOM 596 N ASN A 38 -2.240 1.925 4.481 1.00 0.00 N ATOM 597 CA ASN A 38 -3.124 1.275 5.443 1.00 0.00 C ATOM 598 C ASN A 38 -4.101 2.279 6.038 1.00 0.00 C ATOM 599 O ASN A 38 -5.283 1.981 6.205 1.00 0.00 O ATOM 600 CB ASN A 38 -2.290 0.598 6.539 1.00 0.00 C ATOM 601 CG ASN A 38 -3.124 -0.086 7.611 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.258 -0.505 7.374 1.00 0.00 O ATOM 603 ND2 ASN A 38 -2.543 -0.246 8.790 1.00 0.00 N ATOM 0 H ASN A 38 -1.274 2.019 4.794 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.708 0.511 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.632 -0.139 6.079 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.652 1.345 7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.036 -0.730 9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.602 0.115 8.948 1.00 0.00 H new ATOM 610 N ASP A 39 -3.614 3.475 6.328 1.00 0.00 N ATOM 611 CA ASP A 39 -4.468 4.534 6.846 1.00 0.00 C ATOM 612 C ASP A 39 -5.568 4.867 5.848 1.00 0.00 C ATOM 613 O ASP A 39 -6.741 4.933 6.205 1.00 0.00 O ATOM 614 CB ASP A 39 -3.654 5.792 7.150 1.00 0.00 C ATOM 615 CG ASP A 39 -4.509 6.901 7.725 1.00 0.00 C ATOM 616 OD1 ASP A 39 -5.130 7.655 6.941 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.577 7.020 8.966 1.00 0.00 O ATOM 0 H ASP A 39 -2.635 3.737 6.214 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.919 4.176 7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.859 5.547 7.854 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.174 6.142 6.236 1.00 0.00 H new ATOM 622 N ARG A 40 -5.184 5.050 4.591 1.00 0.00 N ATOM 623 CA ARG A 40 -6.130 5.423 3.548 1.00 0.00 C ATOM 624 C ARG A 40 -7.132 4.308 3.268 1.00 0.00 C ATOM 625 O ARG A 40 -8.292 4.583 2.977 1.00 0.00 O ATOM 626 CB ARG A 40 -5.395 5.834 2.272 1.00 0.00 C ATOM 627 CG ARG A 40 -5.307 7.344 2.099 1.00 0.00 C ATOM 628 CD ARG A 40 -4.754 8.035 3.339 1.00 0.00 C ATOM 629 NE ARG A 40 -4.795 9.491 3.212 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.918 10.331 4.242 1.00 0.00 C ATOM 631 NH1 ARG A 40 -4.997 9.876 5.489 1.00 0.00 N ATOM 632 NH2 ARG A 40 -4.964 11.640 4.027 1.00 0.00 N ATOM 0 H ARG A 40 -4.222 4.946 4.269 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.696 6.282 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.388 5.416 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.905 5.404 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.671 7.573 1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.297 7.741 1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.330 7.730 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.726 7.713 3.507 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.725 9.891 2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.964 8.873 5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.091 10.530 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.905 12.003 3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.058 12.283 4.813 1.00 0.00 H new ATOM 646 N PHE A 41 -6.694 3.058 3.369 1.00 0.00 N ATOM 647 CA PHE A 41 -7.603 1.927 3.224 1.00 0.00 C ATOM 648 C PHE A 41 -8.555 1.838 4.409 1.00 0.00 C ATOM 649 O PHE A 41 -9.621 1.228 4.321 1.00 0.00 O ATOM 650 CB PHE A 41 -6.835 0.616 3.072 1.00 0.00 C ATOM 651 CG PHE A 41 -6.342 0.395 1.673 1.00 0.00 C ATOM 652 CD1 PHE A 41 -7.152 0.708 0.598 1.00 0.00 C ATOM 653 CD2 PHE A 41 -5.078 -0.116 1.429 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.718 0.521 -0.693 1.00 0.00 C ATOM 655 CE2 PHE A 41 -4.637 -0.309 0.134 1.00 0.00 C ATOM 656 CZ PHE A 41 -5.457 0.010 -0.930 1.00 0.00 C ATOM 0 H PHE A 41 -5.723 2.803 3.549 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.186 2.092 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.987 0.615 3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.480 -0.214 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.141 1.105 0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.432 -0.366 2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.363 0.774 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.650 -0.710 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.114 -0.139 -1.943 1.00 0.00 H new ATOM 666 N GLN A 42 -8.162 2.432 5.525 1.00 0.00 N ATOM 667 CA GLN A 42 -9.028 2.481 6.692 1.00 0.00 C ATOM 668 C GLN A 42 -10.007 3.651 6.572 1.00 0.00 C ATOM 669 O GLN A 42 -11.117 3.599 7.103 1.00 0.00 O ATOM 670 CB GLN A 42 -8.194 2.595 7.973 1.00 0.00 C ATOM 671 CG GLN A 42 -8.904 2.079 9.216 1.00 0.00 C ATOM 672 CD GLN A 42 -9.430 3.182 10.117 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.743 3.630 11.036 1.00 0.00 O ATOM 674 NE2 GLN A 42 -10.654 3.620 9.870 1.00 0.00 N ATOM 0 H GLN A 42 -7.256 2.884 5.647 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.602 1.556 6.744 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.264 2.041 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.924 3.640 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.735 1.442 8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.215 1.454 9.785 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.192 3.224 9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.060 4.354 10.450 1.00 0.00 H new ATOM 683 N ARG A 43 -9.596 4.702 5.865 1.00 0.00 N ATOM 684 CA ARG A 43 -10.465 5.854 5.632 1.00 0.00 C ATOM 685 C ARG A 43 -11.450 5.551 4.512 1.00 0.00 C ATOM 686 O ARG A 43 -12.662 5.681 4.678 1.00 0.00 O ATOM 687 CB ARG A 43 -9.649 7.096 5.252 1.00 0.00 C ATOM 688 CG ARG A 43 -8.451 7.351 6.150 1.00 0.00 C ATOM 689 CD ARG A 43 -8.849 7.481 7.607 1.00 0.00 C ATOM 690 NE ARG A 43 -7.697 7.315 8.487 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.779 6.963 9.767 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.967 6.815 10.347 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.671 6.763 10.464 1.00 0.00 N ATOM 0 H ARG A 43 -8.670 4.780 5.445 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.004 6.053 6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.302 6.989 4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.302 7.968 5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.736 6.535 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.946 8.262 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.302 8.458 7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.605 6.733 7.848 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.770 7.479 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.820 6.972 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.025 6.545 11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.761 6.879 10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.728 6.493 11.446 1.00 0.00 H new ATOM 707 N GLN A 44 -10.908 5.136 3.375 1.00 0.00 N ATOM 708 CA GLN A 44 -11.699 4.861 2.187 1.00 0.00 C ATOM 709 C GLN A 44 -11.677 3.379 1.861 1.00 0.00 C ATOM 710 O GLN A 44 -10.787 2.653 2.290 1.00 0.00 O ATOM 711 CB GLN A 44 -11.174 5.660 0.992 1.00 0.00 C ATOM 712 CG GLN A 44 -11.759 7.060 0.882 1.00 0.00 C ATOM 713 CD GLN A 44 -13.202 7.056 0.394 1.00 0.00 C ATOM 714 OE1 GLN A 44 -13.959 6.115 0.645 1.00 0.00 O ATOM 715 NE2 GLN A 44 -13.588 8.100 -0.323 1.00 0.00 N ATOM 0 H GLN A 44 -9.907 4.981 3.252 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.726 5.163 2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.089 5.735 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.394 5.112 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.710 7.548 1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.150 7.651 0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.934 8.860 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.539 8.144 -0.688 1.00 0.00 H new ATOM 724 N LYS A 45 -12.668 2.943 1.103 1.00 0.00 N ATOM 725 CA LYS A 45 -12.779 1.545 0.714 1.00 0.00 C ATOM 726 C LYS A 45 -11.585 1.109 -0.137 1.00 0.00 C ATOM 727 O LYS A 45 -10.969 0.078 0.139 1.00 0.00 O ATOM 728 CB LYS A 45 -14.112 1.269 -0.017 1.00 0.00 C ATOM 729 CG LYS A 45 -14.306 1.982 -1.360 1.00 0.00 C ATOM 730 CD LYS A 45 -14.446 3.490 -1.214 1.00 0.00 C ATOM 731 CE LYS A 45 -14.939 4.138 -2.498 1.00 0.00 C ATOM 732 NZ LYS A 45 -16.359 3.801 -2.782 1.00 0.00 N ATOM 0 H LYS A 45 -13.412 3.540 0.742 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.772 0.950 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.196 0.195 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.931 1.554 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.458 1.762 -2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.194 1.585 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.140 3.714 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.483 3.919 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.831 5.220 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.316 3.813 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.731 4.448 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.421 2.822 -3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.919 3.897 -1.911 1.00 0.00 H new ATOM 746 N TYR A 46 -11.244 1.900 -1.148 1.00 0.00 N ATOM 747 CA TYR A 46 -10.133 1.581 -2.039 1.00 0.00 C ATOM 748 C TYR A 46 -9.490 2.857 -2.564 1.00 0.00 C ATOM 749 O TYR A 46 -9.967 3.959 -2.291 1.00 0.00 O ATOM 750 CB TYR A 46 -10.603 0.729 -3.227 1.00 0.00 C ATOM 751 CG TYR A 46 -11.076 -0.659 -2.860 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.188 -1.615 -2.383 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.414 -1.012 -2.993 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.618 -2.884 -2.050 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.851 -2.279 -2.663 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.950 -3.212 -2.191 1.00 0.00 C ATOM 757 OH TYR A 46 -12.381 -4.479 -1.865 1.00 0.00 O ATOM 0 H TYR A 46 -11.724 2.772 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.402 1.012 -1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.414 1.252 -3.734 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.784 0.642 -3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.144 -1.361 -2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.122 -0.284 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.915 -3.616 -1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.893 -2.539 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.346 -4.546 -2.021 1.00 0.00 H new ATOM 767 N LEU A 47 -8.415 2.699 -3.323 1.00 0.00 N ATOM 768 CA LEU A 47 -7.748 3.827 -3.955 1.00 0.00 C ATOM 769 C LEU A 47 -8.288 4.039 -5.360 1.00 0.00 C ATOM 770 O LEU A 47 -8.493 3.081 -6.108 1.00 0.00 O ATOM 771 CB LEU A 47 -6.235 3.601 -4.009 1.00 0.00 C ATOM 772 CG LEU A 47 -5.539 3.557 -2.650 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.062 3.238 -2.816 1.00 0.00 C ATOM 774 CD2 LEU A 47 -5.717 4.876 -1.913 1.00 0.00 C ATOM 0 H LEU A 47 -7.984 1.795 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.947 4.717 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.041 2.663 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.785 4.395 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.999 2.766 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.583 3.211 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.952 2.268 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.591 4.006 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.214 4.824 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.286 5.684 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.779 5.066 -1.759 1.00 0.00 H new ATOM 786 N SER A 48 -8.514 5.294 -5.710 1.00 0.00 N ATOM 787 CA SER A 48 -9.045 5.647 -7.007 1.00 0.00 C ATOM 788 C SER A 48 -7.950 5.618 -8.066 1.00 0.00 C ATOM 789 O SER A 48 -6.766 5.449 -7.758 1.00 0.00 O ATOM 790 CB SER A 48 -9.670 7.040 -6.937 1.00 0.00 C ATOM 791 OG SER A 48 -10.599 7.133 -5.871 1.00 0.00 O ATOM 0 H SER A 48 -8.334 6.092 -5.101 1.00 0.00 H new ATOM 0 HA SER A 48 -9.806 4.918 -7.286 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.887 7.787 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.170 7.265 -7.879 1.00 0.00 H new ATOM 0 HG SER A 48 -10.116 7.198 -5.021 1.00 0.00 H new ATOM 797 N LEU A 49 -8.356 5.815 -9.306 1.00 0.00 N ATOM 798 CA LEU A 49 -7.440 5.787 -10.441 1.00 0.00 C ATOM 799 C LEU A 49 -6.436 6.926 -10.311 1.00 0.00 C ATOM 800 O LEU A 49 -5.239 6.754 -10.542 1.00 0.00 O ATOM 801 CB LEU A 49 -8.238 5.900 -11.756 1.00 0.00 C ATOM 802 CG LEU A 49 -7.490 5.563 -13.061 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.534 6.674 -13.463 1.00 0.00 C ATOM 804 CD2 LEU A 49 -6.745 4.248 -12.923 1.00 0.00 C ATOM 0 H LEU A 49 -9.327 5.999 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.894 4.844 -10.453 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.105 5.243 -11.683 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.616 6.919 -11.836 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.235 5.465 -13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.025 6.400 -14.387 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.093 7.597 -13.617 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.797 6.823 -12.674 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.223 4.026 -13.854 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.022 4.323 -12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.454 3.449 -12.706 1.00 0.00 H new ATOM 816 N GLN A 50 -6.929 8.086 -9.909 1.00 0.00 N ATOM 817 CA GLN A 50 -6.077 9.252 -9.750 1.00 0.00 C ATOM 818 C GLN A 50 -5.238 9.120 -8.483 1.00 0.00 C ATOM 819 O GLN A 50 -4.140 9.656 -8.391 1.00 0.00 O ATOM 820 CB GLN A 50 -6.928 10.522 -9.705 1.00 0.00 C ATOM 821 CG GLN A 50 -6.127 11.808 -9.829 1.00 0.00 C ATOM 822 CD GLN A 50 -7.011 13.037 -9.806 1.00 0.00 C ATOM 823 OE1 GLN A 50 -8.060 13.047 -9.163 1.00 0.00 O ATOM 824 NE2 GLN A 50 -6.609 14.071 -10.527 1.00 0.00 N ATOM 0 H GLN A 50 -7.912 8.245 -9.687 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.403 9.319 -10.604 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.662 10.484 -10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.484 10.541 -8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.407 11.865 -9.013 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.556 11.790 -10.757 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.732 14.021 -11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.176 14.918 -10.564 1.00 0.00 H new ATOM 833 N GLN A 51 -5.757 8.373 -7.517 1.00 0.00 N ATOM 834 CA GLN A 51 -5.082 8.193 -6.242 1.00 0.00 C ATOM 835 C GLN A 51 -3.912 7.219 -6.344 1.00 0.00 C ATOM 836 O GLN A 51 -2.889 7.418 -5.700 1.00 0.00 O ATOM 837 CB GLN A 51 -6.067 7.730 -5.175 1.00 0.00 C ATOM 838 CG GLN A 51 -6.910 8.856 -4.605 1.00 0.00 C ATOM 839 CD GLN A 51 -7.924 8.362 -3.597 1.00 0.00 C ATOM 840 OE1 GLN A 51 -8.429 7.245 -3.710 1.00 0.00 O ATOM 841 NE2 GLN A 51 -8.218 9.180 -2.596 1.00 0.00 N ATOM 0 H GLN A 51 -6.647 7.881 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.675 9.162 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.725 6.973 -5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.516 7.252 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.259 9.590 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.428 9.366 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.776 10.098 -2.541 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.886 8.892 -1.881 1.00 0.00 H new ATOM 850 N MET A 52 -4.055 6.168 -7.144 1.00 0.00 N ATOM 851 CA MET A 52 -2.977 5.188 -7.294 1.00 0.00 C ATOM 852 C MET A 52 -1.753 5.807 -7.975 1.00 0.00 C ATOM 853 O MET A 52 -0.619 5.536 -7.582 1.00 0.00 O ATOM 854 CB MET A 52 -3.459 3.943 -8.049 1.00 0.00 C ATOM 855 CG MET A 52 -3.958 4.213 -9.455 1.00 0.00 C ATOM 856 SD MET A 52 -4.624 2.736 -10.249 1.00 0.00 S ATOM 857 CE MET A 52 -5.955 2.312 -9.124 1.00 0.00 C ATOM 0 H MET A 52 -4.892 5.971 -7.693 1.00 0.00 H new ATOM 0 HA MET A 52 -2.676 4.875 -6.294 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.641 3.225 -8.099 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.260 3.474 -7.477 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.729 4.982 -9.422 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.140 4.608 -10.058 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.632 1.609 -9.610 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.540 1.855 -8.225 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.503 3.214 -8.852 1.00 0.00 H new ATOM 867 N GLN A 53 -1.975 6.649 -8.978 1.00 0.00 N ATOM 868 CA GLN A 53 -0.869 7.354 -9.620 1.00 0.00 C ATOM 869 C GLN A 53 -0.345 8.458 -8.701 1.00 0.00 C ATOM 870 O GLN A 53 0.847 8.773 -8.710 1.00 0.00 O ATOM 871 CB GLN A 53 -1.276 7.920 -10.984 1.00 0.00 C ATOM 872 CG GLN A 53 -2.497 8.819 -10.952 1.00 0.00 C ATOM 873 CD GLN A 53 -2.802 9.430 -12.307 1.00 0.00 C ATOM 874 OE1 GLN A 53 -2.433 8.734 -13.371 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -3.361 10.522 -12.398 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.897 6.859 -9.361 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.067 6.637 -9.797 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.437 8.482 -11.395 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.469 7.091 -11.665 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.359 8.244 -10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.339 9.615 -10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.630 11.029 -11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.555 10.921 -13.317 1.00 0.00 H new ATOM 884 N GLU A 54 -1.245 9.032 -7.909 1.00 0.00 N ATOM 885 CA GLU A 54 -0.871 10.031 -6.917 1.00 0.00 C ATOM 886 C GLU A 54 0.078 9.424 -5.886 1.00 0.00 C ATOM 887 O GLU A 54 1.175 9.930 -5.666 1.00 0.00 O ATOM 888 CB GLU A 54 -2.128 10.559 -6.219 1.00 0.00 C ATOM 889 CG GLU A 54 -1.864 11.651 -5.200 1.00 0.00 C ATOM 890 CD GLU A 54 -1.451 12.956 -5.841 1.00 0.00 C ATOM 891 OE1 GLU A 54 -0.284 13.081 -6.252 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.295 13.878 -5.917 1.00 0.00 O ATOM 0 H GLU A 54 -2.242 8.820 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.363 10.854 -7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.815 10.941 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.630 9.728 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.762 11.811 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.082 11.323 -4.516 1.00 0.00 H new ATOM 899 N LEU A 55 -0.342 8.315 -5.282 1.00 0.00 N ATOM 900 CA LEU A 55 0.442 7.633 -4.273 1.00 0.00 C ATOM 901 C LEU A 55 1.781 7.186 -4.835 1.00 0.00 C ATOM 902 O LEU A 55 2.791 7.187 -4.135 1.00 0.00 O ATOM 903 CB LEU A 55 -0.340 6.437 -3.737 1.00 0.00 C ATOM 904 CG LEU A 55 -1.038 6.656 -2.390 1.00 0.00 C ATOM 905 CD1 LEU A 55 -0.023 7.022 -1.317 1.00 0.00 C ATOM 906 CD2 LEU A 55 -2.108 7.735 -2.499 1.00 0.00 C ATOM 0 H LEU A 55 -1.237 7.869 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 55 0.639 8.327 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.092 6.156 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.342 5.593 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.524 5.723 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.536 7.174 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.703 6.215 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.493 7.939 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.588 7.871 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.648 8.673 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.854 7.434 -3.234 1.00 0.00 H new ATOM 918 N SER A 56 1.773 6.801 -6.099 1.00 0.00 N ATOM 919 CA SER A 56 2.993 6.473 -6.814 1.00 0.00 C ATOM 920 C SER A 56 4.005 7.612 -6.727 1.00 0.00 C ATOM 921 O SER A 56 5.173 7.391 -6.401 1.00 0.00 O ATOM 922 CB SER A 56 2.657 6.153 -8.275 1.00 0.00 C ATOM 923 OG SER A 56 3.817 6.062 -9.080 1.00 0.00 O ATOM 0 H SER A 56 0.924 6.707 -6.657 1.00 0.00 H new ATOM 0 HA SER A 56 3.448 5.597 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.108 5.212 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.000 6.926 -8.673 1.00 0.00 H new ATOM 0 HG SER A 56 4.594 5.871 -8.514 1.00 0.00 H new ATOM 929 N ASN A 57 3.547 8.825 -6.992 1.00 0.00 N ATOM 930 CA ASN A 57 4.420 9.986 -6.971 1.00 0.00 C ATOM 931 C ASN A 57 4.859 10.300 -5.543 1.00 0.00 C ATOM 932 O ASN A 57 5.995 10.712 -5.304 1.00 0.00 O ATOM 933 CB ASN A 57 3.705 11.197 -7.579 1.00 0.00 C ATOM 934 CG ASN A 57 4.631 12.384 -7.791 1.00 0.00 C ATOM 935 OD1 ASN A 57 5.886 12.110 -8.116 1.00 0.00 O flip ATOM 936 ND2 ASN A 57 4.214 13.537 -7.681 1.00 0.00 N flip ATOM 0 H ASN A 57 2.575 9.030 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 57 5.306 9.762 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.264 10.911 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.885 11.494 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.240 13.705 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.842 14.324 -7.842 1.00 0.00 H new ATOM 943 N ILE A 58 3.962 10.066 -4.593 1.00 0.00 N ATOM 944 CA ILE A 58 4.219 10.385 -3.197 1.00 0.00 C ATOM 945 C ILE A 58 5.215 9.408 -2.584 1.00 0.00 C ATOM 946 O ILE A 58 6.139 9.812 -1.877 1.00 0.00 O ATOM 947 CB ILE A 58 2.919 10.363 -2.366 1.00 0.00 C ATOM 948 CG1 ILE A 58 1.856 11.235 -3.034 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.186 10.837 -0.942 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.562 11.331 -2.253 1.00 0.00 C ATOM 0 H ILE A 58 3.045 9.654 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 58 4.639 11.391 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 58 2.550 9.338 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.259 12.238 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.642 10.835 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.258 10.815 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.918 10.180 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.574 11.855 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.141 11.966 -2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.134 10.336 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.761 11.760 -1.271 1.00 0.00 H new ATOM 962 N LEU A 59 5.035 8.125 -2.873 1.00 0.00 N ATOM 963 CA LEU A 59 5.851 7.087 -2.257 1.00 0.00 C ATOM 964 C LEU A 59 7.100 6.793 -3.081 1.00 0.00 C ATOM 965 O LEU A 59 7.839 5.857 -2.780 1.00 0.00 O ATOM 966 CB LEU A 59 5.035 5.805 -2.068 1.00 0.00 C ATOM 967 CG LEU A 59 3.767 5.957 -1.226 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.065 4.617 -1.080 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.090 6.547 0.141 1.00 0.00 C ATOM 0 H LEU A 59 4.334 7.779 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 59 6.169 7.456 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.756 5.423 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.673 5.053 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 59 3.096 6.645 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.165 4.742 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.793 4.239 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.733 3.908 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.172 6.645 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.783 5.890 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.546 7.529 0.015 1.00 0.00 H new ATOM 981 N ASN A 60 7.318 7.597 -4.122 1.00 0.00 N ATOM 982 CA ASN A 60 8.507 7.487 -4.973 1.00 0.00 C ATOM 983 C ASN A 60 8.526 6.141 -5.705 1.00 0.00 C ATOM 984 O ASN A 60 9.583 5.601 -6.047 1.00 0.00 O ATOM 985 CB ASN A 60 9.779 7.667 -4.134 1.00 0.00 C ATOM 986 CG ASN A 60 11.022 7.869 -4.976 1.00 0.00 C ATOM 987 OD1 ASN A 60 10.973 8.458 -6.061 1.00 0.00 O ATOM 988 ND2 ASN A 60 12.144 7.368 -4.490 1.00 0.00 N ATOM 0 H ASN A 60 6.678 8.341 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 60 8.472 8.278 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.652 8.524 -3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.916 6.791 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.013 7.461 -5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.141 6.889 -3.590 1.00 0.00 H new ATOM 995 N LEU A 61 7.340 5.621 -5.965 1.00 0.00 N ATOM 996 CA LEU A 61 7.185 4.357 -6.665 1.00 0.00 C ATOM 997 C LEU A 61 6.623 4.604 -8.054 1.00 0.00 C ATOM 998 O LEU A 61 6.390 5.749 -8.441 1.00 0.00 O ATOM 999 CB LEU A 61 6.258 3.419 -5.886 1.00 0.00 C ATOM 1000 CG LEU A 61 6.737 3.032 -4.486 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.701 2.156 -3.799 1.00 0.00 C ATOM 1002 CD2 LEU A 61 8.079 2.319 -4.560 1.00 0.00 C ATOM 0 H LEU A 61 6.459 6.061 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 61 8.163 3.884 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.281 3.893 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.119 2.508 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 61 6.866 3.941 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.054 1.888 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.761 2.701 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.544 1.250 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.405 2.051 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.978 1.416 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.817 2.979 -5.017 1.00 0.00 H new ATOM 1014 N SER A 62 6.405 3.536 -8.792 1.00 0.00 N ATOM 1015 CA SER A 62 5.856 3.633 -10.127 1.00 0.00 C ATOM 1016 C SER A 62 4.390 3.211 -10.131 1.00 0.00 C ATOM 1017 O SER A 62 3.967 2.395 -9.310 1.00 0.00 O ATOM 1018 CB SER A 62 6.672 2.763 -11.091 1.00 0.00 C ATOM 1019 OG SER A 62 6.107 2.760 -12.391 1.00 0.00 O ATOM 0 H SER A 62 6.602 2.583 -8.486 1.00 0.00 H new ATOM 0 HA SER A 62 5.912 4.670 -10.459 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.696 3.133 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.719 1.742 -10.711 1.00 0.00 H new ATOM 0 HG SER A 62 6.650 2.198 -12.983 1.00 0.00 H new ATOM 1025 N TYR A 63 3.628 3.785 -11.055 1.00 0.00 N ATOM 1026 CA TYR A 63 2.216 3.466 -11.228 1.00 0.00 C ATOM 1027 C TYR A 63 2.033 1.975 -11.482 1.00 0.00 C ATOM 1028 O TYR A 63 1.068 1.374 -11.022 1.00 0.00 O ATOM 1029 CB TYR A 63 1.640 4.283 -12.391 1.00 0.00 C ATOM 1030 CG TYR A 63 0.240 3.877 -12.814 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.877 4.327 -12.124 1.00 0.00 C ATOM 1032 CD2 TYR A 63 0.041 3.043 -13.910 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.152 3.953 -12.512 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.229 2.668 -14.303 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.322 3.125 -13.601 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.588 2.750 -13.993 1.00 0.00 O ATOM 0 H TYR A 63 3.974 4.488 -11.708 1.00 0.00 H new ATOM 0 HA TYR A 63 1.680 3.723 -10.314 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.629 5.336 -12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.306 4.190 -13.249 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.750 4.978 -11.272 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.895 2.682 -14.464 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.011 4.309 -11.963 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.364 2.020 -15.156 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.528 2.166 -14.778 1.00 0.00 H new ATOM 1046 N LYS A 64 2.986 1.383 -12.196 1.00 0.00 N ATOM 1047 CA LYS A 64 2.953 -0.042 -12.489 1.00 0.00 C ATOM 1048 C LYS A 64 2.999 -0.836 -11.189 1.00 0.00 C ATOM 1049 O LYS A 64 2.291 -1.828 -11.020 1.00 0.00 O ATOM 1050 CB LYS A 64 4.140 -0.419 -13.379 1.00 0.00 C ATOM 1051 CG LYS A 64 4.175 -1.887 -13.778 1.00 0.00 C ATOM 1052 CD LYS A 64 2.997 -2.262 -14.665 1.00 0.00 C ATOM 1053 CE LYS A 64 2.998 -3.749 -14.995 1.00 0.00 C ATOM 1054 NZ LYS A 64 4.240 -4.169 -15.709 1.00 0.00 N ATOM 0 H LYS A 64 3.793 1.873 -12.583 1.00 0.00 H new ATOM 0 HA LYS A 64 2.029 -0.278 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.112 0.191 -14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.065 -0.173 -12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.107 -2.098 -14.303 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.166 -2.507 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.065 -2.000 -14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.036 -1.683 -15.588 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.899 -4.324 -14.074 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.130 -3.983 -15.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.126 -5.141 -16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.414 -3.528 -16.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.047 -4.131 -15.054 1.00 0.00 H new ATOM 1068 N GLN A 65 3.824 -0.364 -10.267 1.00 0.00 N ATOM 1069 CA GLN A 65 3.980 -1.007 -8.972 1.00 0.00 C ATOM 1070 C GLN A 65 2.733 -0.798 -8.119 1.00 0.00 C ATOM 1071 O GLN A 65 2.222 -1.738 -7.511 1.00 0.00 O ATOM 1072 CB GLN A 65 5.199 -0.442 -8.240 1.00 0.00 C ATOM 1073 CG GLN A 65 6.496 -0.564 -9.018 1.00 0.00 C ATOM 1074 CD GLN A 65 7.669 0.063 -8.293 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.942 1.252 -8.447 1.00 0.00 O ATOM 1076 NE2 GLN A 65 8.370 -0.727 -7.498 1.00 0.00 N ATOM 0 H GLN A 65 4.400 0.468 -10.394 1.00 0.00 H new ATOM 0 HA GLN A 65 4.124 -2.075 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.020 0.609 -8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.309 -0.958 -7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.708 -1.617 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.378 -0.088 -9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.111 -1.708 -7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.170 -0.355 -6.985 1.00 0.00 H new ATOM 1085 N VAL A 66 2.237 0.438 -8.096 1.00 0.00 N ATOM 1086 CA VAL A 66 1.123 0.791 -7.218 1.00 0.00 C ATOM 1087 C VAL A 66 -0.187 0.161 -7.699 1.00 0.00 C ATOM 1088 O VAL A 66 -0.973 -0.344 -6.893 1.00 0.00 O ATOM 1089 CB VAL A 66 0.962 2.326 -7.079 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.198 2.669 -6.156 1.00 0.00 C ATOM 1091 CG2 VAL A 66 2.252 2.944 -6.561 1.00 0.00 C ATOM 0 H VAL A 66 2.585 1.206 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 66 1.359 0.388 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 66 0.744 2.738 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.290 3.752 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.121 2.256 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.015 2.245 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.127 4.023 -6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.492 2.521 -5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.063 2.732 -7.258 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.406 0.162 -9.009 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.643 -0.368 -9.570 1.00 0.00 C ATOM 1103 C LYS A 67 -1.688 -1.886 -9.431 1.00 0.00 C ATOM 1104 O LYS A 67 -2.718 -2.453 -9.061 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.787 0.058 -11.040 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.165 -0.206 -11.637 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.299 -1.626 -12.161 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.722 -1.923 -12.595 1.00 0.00 C ATOM 1109 NZ LYS A 67 -4.834 -3.247 -13.258 1.00 0.00 N ATOM 0 H LYS A 67 0.253 0.522 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.484 0.044 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.567 1.122 -11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.040 -0.468 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.928 -0.026 -10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.349 0.498 -12.448 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.622 -1.770 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.998 -2.331 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.380 -1.895 -11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.063 -1.145 -13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.187 -3.121 -14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.899 -3.701 -13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.494 -3.848 -12.724 1.00 0.00 H new ATOM 1123 N THR A 68 -0.568 -2.537 -9.711 1.00 0.00 N ATOM 1124 CA THR A 68 -0.486 -3.990 -9.611 1.00 0.00 C ATOM 1125 C THR A 68 -0.666 -4.446 -8.159 1.00 0.00 C ATOM 1126 O THR A 68 -1.325 -5.455 -7.889 1.00 0.00 O ATOM 1127 CB THR A 68 0.856 -4.518 -10.165 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.019 -4.096 -11.526 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.922 -6.038 -10.102 1.00 0.00 C ATOM 0 H THR A 68 0.296 -2.084 -10.009 1.00 0.00 H new ATOM 0 HA THR A 68 -1.293 -4.404 -10.215 1.00 0.00 H new ATOM 0 HB THR A 68 1.657 -4.111 -9.548 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.647 -3.345 -11.563 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.879 -6.377 -10.499 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.823 -6.364 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.112 -6.462 -10.695 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.092 -3.688 -7.229 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.232 -3.980 -5.809 1.00 0.00 C ATOM 1139 C TRP A 69 -1.697 -3.888 -5.400 1.00 0.00 C ATOM 1140 O TRP A 69 -2.237 -4.804 -4.775 1.00 0.00 O ATOM 1141 CB TRP A 69 0.617 -3.008 -4.985 1.00 0.00 C ATOM 1142 CG TRP A 69 0.613 -3.303 -3.514 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.346 -4.258 -2.869 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.158 -2.638 -2.506 1.00 0.00 C ATOM 1145 NE1 TRP A 69 1.074 -4.230 -1.524 1.00 0.00 N ATOM 1146 CE2 TRP A 69 0.155 -3.243 -1.274 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.084 -1.588 -2.525 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -0.424 -2.836 -0.076 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -1.658 -1.184 -1.335 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -1.325 -1.807 -0.123 1.00 0.00 C ATOM 0 H TRP A 69 0.475 -2.866 -7.436 1.00 0.00 H new ATOM 0 HA TRP A 69 0.120 -4.994 -5.618 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.644 -3.037 -5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.250 -1.994 -5.144 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.038 -4.936 -3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.489 -4.844 -0.823 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.345 -1.102 -3.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.171 -3.315 0.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -2.374 -0.376 -1.338 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -1.789 -1.468 0.791 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.334 -2.788 -5.788 1.00 0.00 N ATOM 1162 CA PHE A 70 -3.745 -2.565 -5.505 1.00 0.00 C ATOM 1163 C PHE A 70 -4.610 -3.677 -6.101 1.00 0.00 C ATOM 1164 O PHE A 70 -5.561 -4.141 -5.470 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.179 -1.198 -6.050 1.00 0.00 C ATOM 1166 CG PHE A 70 -5.670 -0.998 -6.086 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.376 -0.694 -4.936 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.363 -1.125 -7.280 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -7.746 -0.522 -4.975 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.732 -0.952 -7.325 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.425 -0.651 -6.170 1.00 0.00 C ATOM 0 H PHE A 70 -1.888 -2.030 -6.305 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.884 -2.578 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.733 -0.415 -5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.782 -1.078 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.851 -0.590 -3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.825 -1.362 -8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.286 -0.286 -4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.260 -1.052 -8.262 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.496 -0.517 -6.201 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.269 -4.103 -7.311 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.029 -5.136 -8.002 1.00 0.00 C ATOM 1183 C GLN A 71 -5.013 -6.444 -7.212 1.00 0.00 C ATOM 1184 O GLN A 71 -6.049 -7.080 -7.025 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.453 -5.362 -9.400 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.328 -6.222 -10.294 1.00 0.00 C ATOM 1187 CD GLN A 71 -6.671 -5.580 -10.586 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -6.812 -4.828 -11.550 1.00 0.00 O ATOM 1189 NE2 GLN A 71 -7.664 -5.867 -9.757 1.00 0.00 N ATOM 0 H GLN A 71 -3.469 -3.748 -7.835 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.063 -4.801 -8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.300 -4.395 -9.880 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.473 -5.831 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.808 -6.411 -11.233 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.488 -7.190 -9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.505 -6.495 -8.969 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.587 -5.460 -9.906 1.00 0.00 H new ATOM 1198 N ASN A 72 -3.835 -6.824 -6.734 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.662 -8.064 -5.988 1.00 0.00 C ATOM 1200 C ASN A 72 -4.290 -7.935 -4.613 1.00 0.00 C ATOM 1201 O ASN A 72 -4.970 -8.849 -4.144 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.173 -8.405 -5.859 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.927 -9.707 -5.116 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.788 -9.725 -3.895 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.845 -10.806 -5.852 1.00 0.00 N ATOM 0 H ASN A 72 -2.977 -6.285 -6.851 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.158 -8.870 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.733 -8.472 -6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.663 -7.594 -5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.661 -11.705 -5.407 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.966 -10.753 -6.863 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.071 -6.783 -3.986 1.00 0.00 N ATOM 1213 CA GLN A 73 -4.639 -6.497 -2.678 1.00 0.00 C ATOM 1214 C GLN A 73 -6.155 -6.636 -2.724 1.00 0.00 C ATOM 1215 O GLN A 73 -6.744 -7.332 -1.896 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.227 -5.087 -2.220 1.00 0.00 C ATOM 1217 CG GLN A 73 -4.674 -4.715 -0.807 1.00 0.00 C ATOM 1218 CD GLN A 73 -6.114 -4.228 -0.732 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -6.632 -3.631 -1.676 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.773 -4.486 0.389 1.00 0.00 N ATOM 0 H GLN A 73 -3.500 -6.029 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.253 -7.216 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.142 -5.005 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.638 -4.359 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.559 -5.583 -0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.016 -3.938 -0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.310 -4.983 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.743 -4.187 0.491 1.00 0.00 H new ATOM 1229 N ARG A 74 -6.776 -6.000 -3.711 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.223 -6.048 -3.851 1.00 0.00 C ATOM 1231 C ARG A 74 -8.690 -7.458 -4.195 1.00 0.00 C ATOM 1232 O ARG A 74 -9.716 -7.915 -3.688 1.00 0.00 O ATOM 1233 CB ARG A 74 -8.712 -5.059 -4.913 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.228 -5.011 -5.026 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.691 -3.991 -6.053 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.148 -3.904 -6.108 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.822 -3.115 -6.943 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.174 -2.333 -7.797 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.147 -3.109 -6.924 1.00 0.00 N ATOM 0 H ARG A 74 -6.300 -5.447 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.653 -5.761 -2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.339 -4.063 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.289 -5.334 -5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.602 -5.997 -5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.656 -4.767 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.277 -3.013 -5.807 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.305 -4.263 -7.036 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.685 -4.486 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.154 -2.334 -7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.696 -1.731 -8.434 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.650 -3.708 -6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.663 -2.505 -7.563 1.00 0.00 H new ATOM 1253 N MET A 75 -7.935 -8.160 -5.039 1.00 0.00 N ATOM 1254 CA MET A 75 -8.334 -9.503 -5.451 1.00 0.00 C ATOM 1255 C MET A 75 -8.365 -10.463 -4.268 1.00 0.00 C ATOM 1256 O MET A 75 -9.338 -11.197 -4.082 1.00 0.00 O ATOM 1257 CB MET A 75 -7.415 -10.060 -6.543 1.00 0.00 C ATOM 1258 CG MET A 75 -7.732 -9.536 -7.935 1.00 0.00 C ATOM 1259 SD MET A 75 -6.809 -10.391 -9.227 1.00 0.00 S ATOM 1260 CE MET A 75 -5.127 -9.957 -8.793 1.00 0.00 C ATOM 0 H MET A 75 -7.060 -7.828 -5.444 1.00 0.00 H new ATOM 0 HA MET A 75 -9.341 -9.416 -5.859 1.00 0.00 H new ATOM 0 HB2 MET A 75 -6.382 -9.812 -6.298 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.489 -11.147 -6.548 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.800 -9.644 -8.125 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.507 -8.470 -7.978 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.472 -10.146 -9.643 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.081 -8.901 -8.527 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.803 -10.559 -7.944 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.312 -10.440 -3.459 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.197 -11.373 -2.344 1.00 0.00 C ATOM 1272 C LYS A 76 -8.120 -10.983 -1.192 1.00 0.00 C ATOM 1273 O LYS A 76 -8.579 -11.841 -0.440 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.750 -11.464 -1.851 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.760 -11.883 -2.929 1.00 0.00 C ATOM 1276 CD LYS A 76 -3.481 -12.448 -2.328 1.00 0.00 C ATOM 1277 CE LYS A 76 -2.815 -11.474 -1.369 1.00 0.00 C ATOM 1278 NZ LYS A 76 -1.644 -12.087 -0.690 1.00 0.00 N ATOM 0 H LYS A 76 -6.531 -9.791 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.504 -12.353 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.450 -10.495 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.700 -12.177 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.220 -12.631 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.519 -11.024 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.708 -13.375 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.786 -12.699 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.496 -10.586 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.538 -11.146 -0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.215 -11.394 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.953 -12.920 -0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.943 -12.377 -1.401 1.00 0.00 H new