USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1077 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 654 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 666 GLN : amide:sc= -0.982! X(o=-0.98!,f=-1.1) USER MOD Set 2.1: A 650 CYS SG : rot -24:sc= -0.0856 USER MOD Set 2.2: A 719 GLN :FLIP amide:sc= -1.45 F(o=-2.2,f=-1.5) USER MOD Set 3.1: A 622 HIS :FLIP no HD1:sc= -10.7! C(o=-18!,f=-16!) USER MOD Set 3.2: A 623 CYS SG : rot -79:sc= 1.78 USER MOD Set 3.3: A 649 TYR OH : rot -2:sc= 1.92 USER MOD Set 3.4: A 651 HIS : +bothHN:sc= -9.7! C(o=-16!,f=-23!) USER MOD Set 3.5: A 657 SER OG : rot 170:sc= 1.09 USER MOD Single : A 579 THR OG1 : rot 81:sc= 0.0381 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot -5:sc= 1.34 USER MOD Single : A 589 GLN : amide:sc= -2.69! C(o=-2.7!,f=-3.8!) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 595 GLN :FLIP amide:sc= -0.0388 F(o=-2,f=-0.039) USER MOD Single : A 596 GLN :FLIP amide:sc= -1.01 F(o=-3.6!,f=-1) USER MOD Single : A 599 ASN : amide:sc= -1.96! C(o=-2!,f=-2.7!) USER MOD Single : A 606 SER OG : rot -109:sc= 0.00236 USER MOD Single : A 609 CYS SG : rot 110:sc= -5.14! USER MOD Single : A 610 ASN : amide:sc= -4.56! C(o=-4.6!,f=-4.4!) USER MOD Single : A 611 CYS SG : rot 70:sc= -5.46! USER MOD Single : A 612 LYS NZ :NH3+ 161:sc= -0.293 (180deg=-0.944) USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 627 LYS NZ :NH3+ 151:sc= -1.89! (180deg=-2.98!) USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 HIS : no HE2:sc= 0.717 K(o=0.72,f=-2.9!) USER MOD Single : A 652 THR OG1 : rot -131:sc= -0.154! USER MOD Single : A 655 ASN :FLIP amide:sc= -1.45 F(o=-2.1!,f=-1.5) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 ASN : amide:sc= -0.371 K(o=-0.37,f=-7.1!) USER MOD Single : A 661 ASN : amide:sc= -0.34 K(o=-0.34,f=-3!) USER MOD Single : A 662 ASN :FLIP amide:sc= -1.98! C(o=-4!,f=-2!) USER MOD Single : A 664 MET CE :methyl -171:sc= -5.29! (180deg=-5.81!) USER MOD Single : A 668 THR OG1 : rot -97:sc= -0.303 USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 686 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 699 THR OG1 : rot 52:sc= 1.14 USER MOD Single : A 700 THR OG1 : rot -61:sc= 0.141 USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 575 -13.395 9.541 -24.325 1.00 0.66 N ATOM 23 CA GLY A 575 -12.641 8.891 -23.269 1.00 0.49 C ATOM 24 C GLY A 575 -11.418 8.141 -23.767 1.00 0.43 C ATOM 25 O GLY A 575 -10.534 7.824 -22.980 1.00 0.55 O ATOM 0 HA2 GLY A 575 -12.326 9.642 -22.544 1.00 0.49 H new ATOM 0 HA3 GLY A 575 -13.294 8.195 -22.743 1.00 0.49 H new ATOM 29 N ARG A 576 -11.358 7.859 -25.068 1.00 0.30 N ATOM 30 CA ARG A 576 -10.232 7.142 -25.647 1.00 0.27 C ATOM 31 C ARG A 576 -9.189 8.111 -26.162 1.00 0.30 C ATOM 32 O ARG A 576 -9.495 9.051 -26.894 1.00 0.45 O ATOM 33 CB ARG A 576 -10.705 6.233 -26.780 1.00 0.28 C ATOM 34 CG ARG A 576 -9.567 5.614 -27.576 1.00 0.48 C ATOM 35 CD ARG A 576 -10.085 4.704 -28.677 1.00 0.69 C ATOM 36 NE ARG A 576 -10.906 5.429 -29.646 1.00 0.77 N ATOM 37 CZ ARG A 576 -11.150 5.000 -30.883 1.00 1.01 C ATOM 38 NH1 ARG A 576 -10.638 3.852 -31.311 1.00 1.67 N ATOM 39 NH2 ARG A 576 -11.909 5.722 -31.697 1.00 1.08 N ATOM 0 H ARG A 576 -12.080 8.119 -25.739 1.00 0.30 H new ATOM 0 HA ARG A 576 -9.782 6.528 -24.867 1.00 0.27 H new ATOM 0 HB2 ARG A 576 -11.321 5.437 -26.363 1.00 0.28 H new ATOM 0 HB3 ARG A 576 -11.340 6.807 -27.455 1.00 0.28 H new ATOM 0 HG2 ARG A 576 -8.956 6.404 -28.013 1.00 0.48 H new ATOM 0 HG3 ARG A 576 -8.921 5.045 -26.907 1.00 0.48 H new ATOM 0 HD2 ARG A 576 -9.243 4.240 -29.190 1.00 0.69 H new ATOM 0 HD3 ARG A 576 -10.672 3.898 -28.235 1.00 0.69 H new ATOM 0 HE ARG A 576 -11.317 6.317 -29.357 1.00 0.77 H new ATOM 0 HH11 ARG A 576 -10.053 3.292 -30.691 1.00 1.67 H new ATOM 0 HH12 ARG A 576 -10.830 3.530 -32.260 1.00 1.67 H new ATOM 0 HH21 ARG A 576 -12.305 6.605 -31.375 1.00 1.08 H new ATOM 0 HH22 ARG A 576 -12.096 5.394 -32.645 1.00 1.08 H new ATOM 53 N PHE A 577 -7.956 7.865 -25.769 1.00 0.25 N ATOM 54 CA PHE A 577 -6.847 8.697 -26.178 1.00 0.27 C ATOM 55 C PHE A 577 -5.807 7.859 -26.906 1.00 0.27 C ATOM 56 O PHE A 577 -5.305 8.233 -27.965 1.00 0.30 O ATOM 57 CB PHE A 577 -6.225 9.363 -24.947 1.00 0.31 C ATOM 58 CG PHE A 577 -4.776 9.027 -24.710 1.00 0.42 C ATOM 59 CD1 PHE A 577 -3.782 9.676 -25.420 1.00 0.71 C ATOM 60 CD2 PHE A 577 -4.414 8.061 -23.785 1.00 0.55 C ATOM 61 CE1 PHE A 577 -2.451 9.369 -25.217 1.00 0.92 C ATOM 62 CE2 PHE A 577 -3.084 7.751 -23.574 1.00 0.78 C ATOM 63 CZ PHE A 577 -2.102 8.407 -24.293 1.00 0.90 C ATOM 0 H PHE A 577 -7.697 7.088 -25.161 1.00 0.25 H new ATOM 0 HA PHE A 577 -7.207 9.470 -26.857 1.00 0.27 H new ATOM 0 HB2 PHE A 577 -6.320 10.444 -25.049 1.00 0.31 H new ATOM 0 HB3 PHE A 577 -6.799 9.074 -24.066 1.00 0.31 H new ATOM 0 HD1 PHE A 577 -4.050 10.433 -26.142 1.00 0.71 H new ATOM 0 HD2 PHE A 577 -5.179 7.545 -23.223 1.00 0.55 H new ATOM 0 HE1 PHE A 577 -1.685 9.881 -25.781 1.00 0.92 H new ATOM 0 HE2 PHE A 577 -2.812 6.998 -22.849 1.00 0.78 H new ATOM 0 HZ PHE A 577 -1.062 8.166 -24.131 1.00 0.90 H new ATOM 73 N LEU A 578 -5.494 6.725 -26.302 1.00 0.25 N ATOM 74 CA LEU A 578 -4.505 5.799 -26.852 1.00 0.24 C ATOM 75 C LEU A 578 -5.160 4.483 -27.248 1.00 0.24 C ATOM 76 O LEU A 578 -6.078 4.009 -26.579 1.00 0.23 O ATOM 77 CB LEU A 578 -3.392 5.550 -25.835 1.00 0.24 C ATOM 78 CG LEU A 578 -2.297 4.581 -26.281 1.00 0.32 C ATOM 79 CD1 LEU A 578 -1.029 4.811 -25.477 1.00 0.93 C ATOM 80 CD2 LEU A 578 -2.763 3.142 -26.138 1.00 0.91 C ATOM 0 H LEU A 578 -5.911 6.417 -25.424 1.00 0.25 H new ATOM 0 HA LEU A 578 -4.073 6.249 -27.745 1.00 0.24 H new ATOM 0 HB2 LEU A 578 -2.929 6.505 -25.588 1.00 0.24 H new ATOM 0 HB3 LEU A 578 -3.840 5.167 -24.918 1.00 0.24 H new ATOM 0 HG LEU A 578 -2.081 4.767 -27.333 1.00 0.32 H new ATOM 0 HD11 LEU A 578 -0.258 4.114 -25.806 1.00 0.93 H new ATOM 0 HD12 LEU A 578 -0.682 5.833 -25.629 1.00 0.93 H new ATOM 0 HD13 LEU A 578 -1.235 4.651 -24.419 1.00 0.93 H new ATOM 0 HD21 LEU A 578 -1.969 2.469 -26.461 1.00 0.91 H new ATOM 0 HD22 LEU A 578 -3.008 2.941 -25.095 1.00 0.91 H new ATOM 0 HD23 LEU A 578 -3.647 2.983 -26.755 1.00 0.91 H new ATOM 92 N THR A 579 -4.693 3.899 -28.346 1.00 0.26 N ATOM 93 CA THR A 579 -5.252 2.645 -28.830 1.00 0.28 C ATOM 94 C THR A 579 -4.216 1.522 -28.857 1.00 0.24 C ATOM 95 O THR A 579 -3.247 1.573 -29.612 1.00 0.27 O ATOM 96 CB THR A 579 -5.844 2.804 -30.242 1.00 0.35 C ATOM 97 OG1 THR A 579 -6.736 3.924 -30.277 1.00 0.40 O ATOM 98 CG2 THR A 579 -6.589 1.545 -30.664 1.00 0.40 C ATOM 0 H THR A 579 -3.933 4.272 -28.914 1.00 0.26 H new ATOM 0 HA THR A 579 -6.041 2.377 -28.128 1.00 0.28 H new ATOM 0 HB THR A 579 -5.022 2.971 -30.938 1.00 0.35 H new ATOM 0 HG1 THR A 579 -6.219 4.751 -30.368 1.00 0.40 H new ATOM 0 HG21 THR A 579 -6.998 1.682 -31.665 1.00 0.40 H new ATOM 0 HG22 THR A 579 -5.902 0.699 -30.666 1.00 0.40 H new ATOM 0 HG23 THR A 579 -7.401 1.351 -29.964 1.00 0.40 H new ATOM 106 N LEU A 580 -4.467 0.485 -28.065 1.00 0.24 N ATOM 107 CA LEU A 580 -3.605 -0.686 -28.029 1.00 0.25 C ATOM 108 C LEU A 580 -4.340 -1.786 -28.762 1.00 0.23 C ATOM 109 O LEU A 580 -5.374 -2.261 -28.297 1.00 0.26 O ATOM 110 CB LEU A 580 -3.313 -1.106 -26.586 1.00 0.32 C ATOM 111 CG LEU A 580 -2.105 -0.426 -25.945 1.00 0.42 C ATOM 112 CD1 LEU A 580 -2.165 -0.547 -24.430 1.00 0.75 C ATOM 113 CD2 LEU A 580 -0.812 -1.024 -26.479 1.00 0.84 C ATOM 0 H LEU A 580 -5.268 0.434 -27.435 1.00 0.24 H new ATOM 0 HA LEU A 580 -2.644 -0.473 -28.498 1.00 0.25 H new ATOM 0 HB2 LEU A 580 -4.193 -0.897 -25.978 1.00 0.32 H new ATOM 0 HB3 LEU A 580 -3.158 -2.185 -26.562 1.00 0.32 H new ATOM 0 HG LEU A 580 -2.127 0.632 -26.205 1.00 0.42 H new ATOM 0 HD11 LEU A 580 -1.296 -0.057 -23.991 1.00 0.75 H new ATOM 0 HD12 LEU A 580 -3.074 -0.071 -24.063 1.00 0.75 H new ATOM 0 HD13 LEU A 580 -2.168 -1.600 -24.149 1.00 0.75 H new ATOM 0 HD21 LEU A 580 0.039 -0.528 -26.012 1.00 0.84 H new ATOM 0 HD22 LEU A 580 -0.782 -2.089 -26.250 1.00 0.84 H new ATOM 0 HD23 LEU A 580 -0.765 -0.884 -27.559 1.00 0.84 H new ATOM 125 N LYS A 581 -3.860 -2.143 -29.938 1.00 0.24 N ATOM 126 CA LYS A 581 -4.572 -3.136 -30.739 1.00 0.25 C ATOM 127 C LYS A 581 -3.829 -4.449 -30.940 1.00 0.25 C ATOM 128 O LYS A 581 -2.949 -4.539 -31.789 1.00 0.29 O ATOM 129 CB LYS A 581 -4.935 -2.543 -32.104 1.00 0.29 C ATOM 130 CG LYS A 581 -3.910 -1.558 -32.642 1.00 0.95 C ATOM 131 CD LYS A 581 -4.233 -1.136 -34.068 1.00 1.08 C ATOM 132 CE LYS A 581 -5.616 -0.511 -34.165 1.00 1.16 C ATOM 133 NZ LYS A 581 -5.928 -0.065 -35.552 1.00 1.67 N ATOM 0 H LYS A 581 -3.005 -1.776 -30.356 1.00 0.24 H new ATOM 0 HA LYS A 581 -5.465 -3.383 -30.165 1.00 0.25 H new ATOM 0 HB2 LYS A 581 -5.055 -3.355 -32.821 1.00 0.29 H new ATOM 0 HB3 LYS A 581 -5.900 -2.042 -32.026 1.00 0.29 H new ATOM 0 HG2 LYS A 581 -3.878 -0.678 -32.000 1.00 0.95 H new ATOM 0 HG3 LYS A 581 -2.919 -2.010 -32.612 1.00 0.95 H new ATOM 0 HD2 LYS A 581 -3.485 -0.423 -34.416 1.00 1.08 H new ATOM 0 HD3 LYS A 581 -4.177 -2.003 -34.726 1.00 1.08 H new ATOM 0 HE2 LYS A 581 -6.364 -1.233 -33.839 1.00 1.16 H new ATOM 0 HE3 LYS A 581 -5.678 0.340 -33.487 1.00 1.16 H new ATOM 0 HZ1 LYS A 581 -6.879 0.355 -35.576 1.00 1.67 H new ATOM 0 HZ2 LYS A 581 -5.229 0.643 -35.854 1.00 1.67 H new ATOM 0 HZ3 LYS A 581 -5.894 -0.882 -36.195 1.00 1.67 H new ATOM 147 N PRO A 582 -4.222 -5.512 -30.204 1.00 0.24 N ATOM 148 CA PRO A 582 -3.618 -6.832 -30.381 1.00 0.25 C ATOM 149 C PRO A 582 -3.766 -7.274 -31.839 1.00 0.25 C ATOM 150 O PRO A 582 -4.879 -7.312 -32.367 1.00 0.30 O ATOM 151 CB PRO A 582 -4.405 -7.763 -29.450 1.00 0.29 C ATOM 152 CG PRO A 582 -5.497 -6.952 -28.819 1.00 0.30 C ATOM 153 CD PRO A 582 -5.309 -5.500 -29.211 1.00 0.24 C ATOM 0 HA PRO A 582 -2.553 -6.839 -30.147 1.00 0.25 H new ATOM 0 HB2 PRO A 582 -4.823 -8.600 -30.009 1.00 0.29 H new ATOM 0 HB3 PRO A 582 -3.751 -8.185 -28.687 1.00 0.29 H new ATOM 0 HG2 PRO A 582 -6.472 -7.310 -29.149 1.00 0.30 H new ATOM 0 HG3 PRO A 582 -5.468 -7.058 -27.735 1.00 0.30 H new ATOM 0 HD2 PRO A 582 -6.224 -5.083 -29.632 1.00 0.24 H new ATOM 0 HD3 PRO A 582 -5.048 -4.888 -28.347 1.00 0.24 H new ATOM 161 N LEU A 583 -2.642 -7.555 -32.496 1.00 0.32 N ATOM 162 CA LEU A 583 -2.645 -7.928 -33.918 1.00 0.33 C ATOM 163 C LEU A 583 -2.882 -9.414 -34.165 1.00 0.35 C ATOM 164 O LEU A 583 -2.628 -10.258 -33.313 1.00 0.42 O ATOM 165 CB LEU A 583 -1.338 -7.514 -34.600 1.00 0.51 C ATOM 166 CG LEU A 583 -0.337 -6.761 -33.727 1.00 0.41 C ATOM 167 CD1 LEU A 583 0.908 -6.432 -34.525 1.00 1.17 C ATOM 168 CD2 LEU A 583 -0.966 -5.497 -33.159 1.00 1.16 C ATOM 0 H LEU A 583 -1.715 -7.533 -32.070 1.00 0.32 H new ATOM 0 HA LEU A 583 -3.486 -7.387 -34.351 1.00 0.33 H new ATOM 0 HB2 LEU A 583 -0.852 -8.411 -34.985 1.00 0.51 H new ATOM 0 HB3 LEU A 583 -1.582 -6.890 -35.460 1.00 0.51 H new ATOM 0 HG LEU A 583 -0.052 -7.400 -32.891 1.00 0.41 H new ATOM 0 HD11 LEU A 583 1.615 -5.895 -33.892 1.00 1.17 H new ATOM 0 HD12 LEU A 583 1.367 -7.355 -34.880 1.00 1.17 H new ATOM 0 HD13 LEU A 583 0.639 -5.809 -35.378 1.00 1.17 H new ATOM 0 HD21 LEU A 583 -0.237 -4.974 -32.540 1.00 1.16 H new ATOM 0 HD22 LEU A 583 -1.280 -4.848 -33.976 1.00 1.16 H new ATOM 0 HD23 LEU A 583 -1.833 -5.762 -32.553 1.00 1.16 H new ATOM 180 N PRO A 584 -3.369 -9.731 -35.380 1.00 0.35 N ATOM 181 CA PRO A 584 -3.652 -11.106 -35.808 1.00 0.46 C ATOM 182 C PRO A 584 -2.449 -12.034 -35.669 1.00 0.53 C ATOM 183 O PRO A 584 -2.607 -13.234 -35.448 1.00 0.62 O ATOM 184 CB PRO A 584 -4.031 -10.954 -37.285 1.00 0.52 C ATOM 185 CG PRO A 584 -4.481 -9.542 -37.425 1.00 0.41 C ATOM 186 CD PRO A 584 -3.671 -8.750 -36.437 1.00 0.33 C ATOM 0 HA PRO A 584 -4.429 -11.559 -35.193 1.00 0.46 H new ATOM 0 HB2 PRO A 584 -3.181 -11.163 -37.934 1.00 0.52 H new ATOM 0 HB3 PRO A 584 -4.823 -11.650 -37.563 1.00 0.52 H new ATOM 0 HG2 PRO A 584 -4.320 -9.180 -38.441 1.00 0.41 H new ATOM 0 HG3 PRO A 584 -5.547 -9.450 -37.219 1.00 0.41 H new ATOM 0 HD2 PRO A 584 -2.762 -8.353 -36.889 1.00 0.33 H new ATOM 0 HD3 PRO A 584 -4.231 -7.900 -36.048 1.00 0.33 H new ATOM 194 N ASP A 585 -1.248 -11.479 -35.797 1.00 0.54 N ATOM 195 CA ASP A 585 -0.031 -12.277 -35.680 1.00 0.66 C ATOM 196 C ASP A 585 0.083 -12.866 -34.279 1.00 0.67 C ATOM 197 O ASP A 585 0.743 -13.884 -34.071 1.00 0.75 O ATOM 198 CB ASP A 585 1.203 -11.427 -35.987 1.00 0.72 C ATOM 199 CG ASP A 585 1.014 -10.546 -37.207 1.00 1.01 C ATOM 200 OD1 ASP A 585 0.484 -9.426 -37.054 1.00 1.60 O ATOM 201 OD2 ASP A 585 1.397 -10.977 -38.316 1.00 1.67 O ATOM 0 H ASP A 585 -1.091 -10.488 -35.980 1.00 0.54 H new ATOM 0 HA ASP A 585 -0.085 -13.089 -36.405 1.00 0.66 H new ATOM 0 HB2 ASP A 585 1.433 -10.802 -35.124 1.00 0.72 H new ATOM 0 HB3 ASP A 585 2.060 -12.081 -36.145 1.00 0.72 H new ATOM 206 N SER A 586 -0.574 -12.219 -33.324 1.00 0.59 N ATOM 207 CA SER A 586 -0.565 -12.665 -31.941 1.00 0.60 C ATOM 208 C SER A 586 -1.785 -13.513 -31.644 1.00 0.57 C ATOM 209 O SER A 586 -2.829 -13.347 -32.272 1.00 0.54 O ATOM 210 CB SER A 586 -0.537 -11.463 -31.002 1.00 0.58 C ATOM 211 OG SER A 586 -1.720 -10.693 -31.116 1.00 1.07 O ATOM 0 H SER A 586 -1.124 -11.376 -33.487 1.00 0.59 H new ATOM 0 HA SER A 586 0.329 -13.268 -31.783 1.00 0.60 H new ATOM 0 HB2 SER A 586 -0.421 -11.805 -29.974 1.00 0.58 H new ATOM 0 HB3 SER A 586 0.328 -10.840 -31.231 1.00 0.58 H new ATOM 0 HG SER A 586 -2.273 -11.049 -31.843 1.00 1.07 H new ATOM 217 N ILE A 587 -1.666 -14.403 -30.662 1.00 0.62 N ATOM 218 CA ILE A 587 -2.789 -15.244 -30.270 1.00 0.62 C ATOM 219 C ILE A 587 -4.040 -14.384 -30.093 1.00 0.55 C ATOM 220 O ILE A 587 -5.167 -14.857 -30.236 1.00 0.57 O ATOM 221 CB ILE A 587 -2.487 -16.018 -28.973 1.00 0.67 C ATOM 222 CG1 ILE A 587 -2.330 -15.057 -27.792 1.00 1.17 C ATOM 223 CG2 ILE A 587 -1.226 -16.852 -29.147 1.00 1.48 C ATOM 224 CD1 ILE A 587 -1.832 -15.730 -26.531 1.00 1.92 C ATOM 0 H ILE A 587 -0.811 -14.558 -30.129 1.00 0.62 H new ATOM 0 HA ILE A 587 -2.959 -15.975 -31.060 1.00 0.62 H new ATOM 0 HB ILE A 587 -3.325 -16.682 -28.762 1.00 0.67 H new ATOM 0 HG12 ILE A 587 -1.637 -14.263 -28.069 1.00 1.17 H new ATOM 0 HG13 ILE A 587 -3.291 -14.584 -27.588 1.00 1.17 H new ATOM 0 HG21 ILE A 587 -1.020 -17.396 -28.225 1.00 1.48 H new ATOM 0 HG22 ILE A 587 -1.368 -17.561 -29.963 1.00 1.48 H new ATOM 0 HG23 ILE A 587 -0.386 -16.197 -29.378 1.00 1.48 H new ATOM 0 HD11 ILE A 587 -1.744 -14.991 -25.735 1.00 1.92 H new ATOM 0 HD12 ILE A 587 -2.536 -16.506 -26.230 1.00 1.92 H new ATOM 0 HD13 ILE A 587 -0.857 -16.179 -26.719 1.00 1.92 H new ATOM 236 N ILE A 588 -3.813 -13.098 -29.820 1.00 0.50 N ATOM 237 CA ILE A 588 -4.886 -12.127 -29.665 1.00 0.46 C ATOM 238 C ILE A 588 -5.027 -11.325 -30.955 1.00 0.35 C ATOM 239 O ILE A 588 -4.051 -11.134 -31.674 1.00 0.36 O ATOM 240 CB ILE A 588 -4.624 -11.167 -28.490 1.00 0.56 C ATOM 241 CG1 ILE A 588 -4.214 -11.954 -27.244 1.00 0.98 C ATOM 242 CG2 ILE A 588 -5.860 -10.323 -28.213 1.00 0.79 C ATOM 243 CD1 ILE A 588 -4.047 -11.094 -26.010 1.00 1.39 C ATOM 0 H ILE A 588 -2.879 -12.705 -29.701 1.00 0.50 H new ATOM 0 HA ILE A 588 -5.806 -12.671 -29.452 1.00 0.46 H new ATOM 0 HB ILE A 588 -3.806 -10.498 -28.757 1.00 0.56 H new ATOM 0 HG12 ILE A 588 -4.965 -12.719 -27.044 1.00 0.98 H new ATOM 0 HG13 ILE A 588 -3.276 -12.472 -27.445 1.00 0.98 H new ATOM 0 HG21 ILE A 588 -5.661 -9.649 -27.380 1.00 0.79 H new ATOM 0 HG22 ILE A 588 -6.109 -9.740 -29.100 1.00 0.79 H new ATOM 0 HG23 ILE A 588 -6.696 -10.975 -27.960 1.00 0.79 H new ATOM 0 HD11 ILE A 588 -3.756 -11.720 -25.167 1.00 1.39 H new ATOM 0 HD12 ILE A 588 -3.275 -10.346 -26.190 1.00 1.39 H new ATOM 0 HD13 ILE A 588 -4.990 -10.596 -25.783 1.00 1.39 H new ATOM 255 N GLN A 589 -6.232 -10.857 -31.250 1.00 0.35 N ATOM 256 CA GLN A 589 -6.474 -10.078 -32.458 1.00 0.36 C ATOM 257 C GLN A 589 -7.662 -9.196 -32.193 1.00 0.40 C ATOM 258 O GLN A 589 -8.704 -9.274 -32.845 1.00 0.50 O ATOM 259 CB GLN A 589 -6.714 -10.973 -33.689 1.00 0.46 C ATOM 260 CG GLN A 589 -6.657 -12.474 -33.412 1.00 0.73 C ATOM 261 CD GLN A 589 -5.824 -13.225 -34.415 1.00 0.68 C ATOM 262 OE1 GLN A 589 -6.207 -13.374 -35.576 1.00 1.49 O ATOM 263 NE2 GLN A 589 -4.677 -13.705 -33.973 1.00 0.55 N ATOM 0 H GLN A 589 -7.058 -11.003 -30.670 1.00 0.35 H new ATOM 0 HA GLN A 589 -5.592 -9.481 -32.691 1.00 0.36 H new ATOM 0 HB2 GLN A 589 -7.690 -10.733 -34.110 1.00 0.46 H new ATOM 0 HB3 GLN A 589 -5.970 -10.730 -34.448 1.00 0.46 H new ATOM 0 HG2 GLN A 589 -6.251 -12.639 -32.414 1.00 0.73 H new ATOM 0 HG3 GLN A 589 -7.670 -12.877 -33.414 1.00 0.73 H new ATOM 0 HE21 GLN A 589 -4.402 -13.556 -33.002 1.00 0.55 H new ATOM 0 HE22 GLN A 589 -4.065 -14.225 -34.602 1.00 0.55 H new ATOM 272 N GLU A 590 -7.472 -8.378 -31.192 1.00 0.36 N ATOM 273 CA GLU A 590 -8.479 -7.457 -30.726 1.00 0.42 C ATOM 274 C GLU A 590 -7.908 -6.069 -30.692 1.00 0.37 C ATOM 275 O GLU A 590 -6.730 -5.876 -30.961 1.00 0.30 O ATOM 276 CB GLU A 590 -8.975 -7.859 -29.335 1.00 0.46 C ATOM 277 CG GLU A 590 -10.159 -8.811 -29.363 1.00 0.74 C ATOM 278 CD GLU A 590 -10.478 -9.383 -27.996 1.00 1.41 C ATOM 279 OE1 GLU A 590 -10.131 -8.736 -26.986 1.00 2.09 O ATOM 280 OE2 GLU A 590 -11.076 -10.478 -27.935 1.00 2.11 O ATOM 0 H GLU A 590 -6.599 -8.331 -30.667 1.00 0.36 H new ATOM 0 HA GLU A 590 -9.327 -7.483 -31.410 1.00 0.42 H new ATOM 0 HB2 GLU A 590 -8.156 -8.326 -28.788 1.00 0.46 H new ATOM 0 HB3 GLU A 590 -9.255 -6.961 -28.784 1.00 0.46 H new ATOM 0 HG2 GLU A 590 -11.034 -8.286 -29.747 1.00 0.74 H new ATOM 0 HG3 GLU A 590 -9.948 -9.627 -30.054 1.00 0.74 H new ATOM 287 N SER A 591 -8.739 -5.111 -30.362 1.00 0.42 N ATOM 288 CA SER A 591 -8.291 -3.729 -30.253 1.00 0.38 C ATOM 289 C SER A 591 -8.778 -3.102 -28.948 1.00 0.41 C ATOM 290 O SER A 591 -9.980 -2.931 -28.739 1.00 0.52 O ATOM 291 CB SER A 591 -8.748 -2.901 -31.448 1.00 0.45 C ATOM 292 OG SER A 591 -9.639 -3.633 -32.272 1.00 0.54 O ATOM 0 H SER A 591 -9.729 -5.254 -30.163 1.00 0.42 H new ATOM 0 HA SER A 591 -7.201 -3.735 -30.248 1.00 0.38 H new ATOM 0 HB2 SER A 591 -9.237 -1.992 -31.098 1.00 0.45 H new ATOM 0 HB3 SER A 591 -7.881 -2.592 -32.032 1.00 0.45 H new ATOM 0 HG SER A 591 -9.917 -3.076 -33.029 1.00 0.54 H new ATOM 298 N LEU A 592 -7.835 -2.744 -28.086 1.00 0.35 N ATOM 299 CA LEU A 592 -8.151 -2.116 -26.812 1.00 0.42 C ATOM 300 C LEU A 592 -7.621 -0.693 -26.809 1.00 0.35 C ATOM 301 O LEU A 592 -6.557 -0.430 -27.355 1.00 0.38 O ATOM 302 CB LEU A 592 -7.550 -2.919 -25.659 1.00 0.51 C ATOM 303 CG LEU A 592 -7.514 -4.433 -25.885 1.00 0.84 C ATOM 304 CD1 LEU A 592 -6.978 -5.146 -24.656 1.00 1.98 C ATOM 305 CD2 LEU A 592 -8.900 -4.951 -26.244 1.00 1.30 C ATOM 0 H LEU A 592 -6.837 -2.880 -28.249 1.00 0.35 H new ATOM 0 HA LEU A 592 -9.232 -2.094 -26.678 1.00 0.42 H new ATOM 0 HB2 LEU A 592 -6.534 -2.568 -25.480 1.00 0.51 H new ATOM 0 HB3 LEU A 592 -8.122 -2.714 -24.754 1.00 0.51 H new ATOM 0 HG LEU A 592 -6.843 -4.640 -26.718 1.00 0.84 H new ATOM 0 HD11 LEU A 592 -6.961 -6.221 -24.837 1.00 1.98 H new ATOM 0 HD12 LEU A 592 -5.967 -4.797 -24.445 1.00 1.98 H new ATOM 0 HD13 LEU A 592 -7.621 -4.933 -23.802 1.00 1.98 H new ATOM 0 HD21 LEU A 592 -8.856 -6.029 -26.401 1.00 1.30 H new ATOM 0 HD22 LEU A 592 -9.592 -4.731 -25.432 1.00 1.30 H new ATOM 0 HD23 LEU A 592 -9.245 -4.465 -27.157 1.00 1.30 H new ATOM 317 N GLU A 593 -8.363 0.233 -26.226 1.00 0.35 N ATOM 318 CA GLU A 593 -7.931 1.624 -26.212 1.00 0.36 C ATOM 319 C GLU A 593 -7.860 2.190 -24.801 1.00 0.30 C ATOM 320 O GLU A 593 -8.849 2.181 -24.068 1.00 0.34 O ATOM 321 CB GLU A 593 -8.869 2.477 -27.070 1.00 0.51 C ATOM 322 CG GLU A 593 -9.509 1.713 -28.223 1.00 0.68 C ATOM 323 CD GLU A 593 -10.950 1.333 -27.943 1.00 0.72 C ATOM 324 OE1 GLU A 593 -11.180 0.502 -27.039 1.00 1.50 O ATOM 325 OE2 GLU A 593 -11.849 1.866 -28.627 1.00 1.47 O ATOM 0 H GLU A 593 -9.254 0.054 -25.762 1.00 0.35 H new ATOM 0 HA GLU A 593 -6.924 1.654 -26.629 1.00 0.36 H new ATOM 0 HB2 GLU A 593 -9.656 2.886 -26.436 1.00 0.51 H new ATOM 0 HB3 GLU A 593 -8.311 3.323 -27.472 1.00 0.51 H new ATOM 0 HG2 GLU A 593 -9.467 2.323 -29.126 1.00 0.68 H new ATOM 0 HG3 GLU A 593 -8.931 0.810 -28.421 1.00 0.68 H new ATOM 332 N ILE A 594 -6.694 2.720 -24.436 1.00 0.25 N ATOM 333 CA ILE A 594 -6.522 3.329 -23.131 1.00 0.23 C ATOM 334 C ILE A 594 -7.260 4.650 -23.120 1.00 0.24 C ATOM 335 O ILE A 594 -7.190 5.409 -24.087 1.00 0.31 O ATOM 336 CB ILE A 594 -5.038 3.568 -22.796 1.00 0.24 C ATOM 337 CG1 ILE A 594 -4.242 2.277 -22.973 1.00 0.25 C ATOM 338 CG2 ILE A 594 -4.891 4.101 -21.379 1.00 0.26 C ATOM 339 CD1 ILE A 594 -2.746 2.465 -22.851 1.00 0.32 C ATOM 0 H ILE A 594 -5.862 2.737 -25.026 1.00 0.25 H new ATOM 0 HA ILE A 594 -6.921 2.650 -22.377 1.00 0.23 H new ATOM 0 HB ILE A 594 -4.641 4.315 -23.483 1.00 0.24 H new ATOM 0 HG12 ILE A 594 -4.570 1.553 -22.228 1.00 0.25 H new ATOM 0 HG13 ILE A 594 -4.468 1.852 -23.951 1.00 0.25 H new ATOM 0 HG21 ILE A 594 -3.836 4.264 -21.159 1.00 0.26 H new ATOM 0 HG22 ILE A 594 -5.431 5.043 -21.287 1.00 0.26 H new ATOM 0 HG23 ILE A 594 -5.301 3.378 -20.674 1.00 0.26 H new ATOM 0 HD11 ILE A 594 -2.246 1.506 -22.988 1.00 0.32 H new ATOM 0 HD12 ILE A 594 -2.404 3.165 -23.614 1.00 0.32 H new ATOM 0 HD13 ILE A 594 -2.508 2.860 -21.863 1.00 0.32 H new ATOM 351 N GLN A 595 -7.982 4.924 -22.052 1.00 0.22 N ATOM 352 CA GLN A 595 -8.737 6.158 -21.978 1.00 0.24 C ATOM 353 C GLN A 595 -7.866 7.297 -21.481 1.00 0.23 C ATOM 354 O GLN A 595 -7.114 7.138 -20.520 1.00 0.20 O ATOM 355 CB GLN A 595 -9.951 5.988 -21.062 1.00 0.25 C ATOM 356 CG GLN A 595 -11.134 5.295 -21.721 1.00 0.36 C ATOM 357 CD GLN A 595 -10.720 4.156 -22.629 1.00 0.86 C ATOM 358 OE1 GLN A 595 -10.805 4.384 -23.933 1.00 1.66 O flip ATOM 359 NE2 GLN A 595 -10.328 3.084 -22.165 1.00 1.01 N flip ATOM 0 H GLN A 595 -8.062 4.319 -21.235 1.00 0.22 H new ATOM 0 HA GLN A 595 -9.083 6.402 -22.982 1.00 0.24 H new ATOM 0 HB2 GLN A 595 -9.652 5.417 -20.183 1.00 0.25 H new ATOM 0 HB3 GLN A 595 -10.268 6.970 -20.711 1.00 0.25 H new ATOM 0 HG2 GLN A 595 -11.801 4.913 -20.948 1.00 0.36 H new ATOM 0 HG3 GLN A 595 -11.701 6.025 -22.298 1.00 0.36 H new ATOM 0 HE21 GLN A 595 -10.279 2.953 -21.155 1.00 1.01 H new ATOM 0 HE22 GLN A 595 -10.053 2.327 -22.791 1.00 1.01 H new ATOM 368 N GLN A 596 -7.986 8.461 -22.120 1.00 0.26 N ATOM 369 CA GLN A 596 -7.221 9.631 -21.703 1.00 0.27 C ATOM 370 C GLN A 596 -7.359 9.805 -20.198 1.00 0.25 C ATOM 371 O GLN A 596 -6.464 10.319 -19.526 1.00 0.28 O ATOM 372 CB GLN A 596 -7.715 10.892 -22.421 1.00 0.32 C ATOM 373 CG GLN A 596 -9.142 11.280 -22.060 1.00 0.33 C ATOM 374 CD GLN A 596 -10.068 11.343 -23.261 1.00 0.57 C ATOM 375 OE1 GLN A 596 -9.866 10.447 -24.218 1.00 1.11 O flip ATOM 376 NE2 GLN A 596 -10.958 12.190 -23.325 1.00 0.50 N flip ATOM 0 H GLN A 596 -8.600 8.616 -22.920 1.00 0.26 H new ATOM 0 HA GLN A 596 -6.174 9.480 -21.966 1.00 0.27 H new ATOM 0 HB2 GLN A 596 -7.050 11.721 -22.180 1.00 0.32 H new ATOM 0 HB3 GLN A 596 -7.651 10.735 -23.498 1.00 0.32 H new ATOM 0 HG2 GLN A 596 -9.537 10.560 -21.343 1.00 0.33 H new ATOM 0 HG3 GLN A 596 -9.133 12.251 -21.565 1.00 0.33 H new ATOM 0 HE21 GLN A 596 -11.079 12.861 -22.566 1.00 0.50 H new ATOM 0 HE22 GLN A 596 -11.575 12.221 -24.137 1.00 0.50 H new ATOM 385 N GLY A 597 -8.500 9.357 -19.683 1.00 0.23 N ATOM 386 CA GLY A 597 -8.768 9.448 -18.267 1.00 0.24 C ATOM 387 C GLY A 597 -8.253 8.253 -17.483 1.00 0.23 C ATOM 388 O GLY A 597 -8.033 8.362 -16.276 1.00 0.26 O ATOM 0 H GLY A 597 -9.247 8.930 -20.230 1.00 0.23 H new ATOM 0 HA2 GLY A 597 -8.311 10.356 -17.875 1.00 0.24 H new ATOM 0 HA3 GLY A 597 -9.843 9.540 -18.112 1.00 0.24 H new ATOM 392 N VAL A 598 -8.056 7.103 -18.143 1.00 0.21 N ATOM 393 CA VAL A 598 -7.568 5.931 -17.432 1.00 0.21 C ATOM 394 C VAL A 598 -6.045 5.935 -17.345 1.00 0.20 C ATOM 395 O VAL A 598 -5.342 5.776 -18.342 1.00 0.19 O ATOM 396 CB VAL A 598 -8.044 4.625 -18.107 1.00 0.21 C ATOM 397 CG1 VAL A 598 -7.350 3.414 -17.499 1.00 0.82 C ATOM 398 CG2 VAL A 598 -9.554 4.488 -17.987 1.00 0.81 C ATOM 0 H VAL A 598 -8.224 6.968 -19.140 1.00 0.21 H new ATOM 0 HA VAL A 598 -7.980 5.974 -16.424 1.00 0.21 H new ATOM 0 HB VAL A 598 -7.780 4.672 -19.163 1.00 0.21 H new ATOM 0 HG11 VAL A 598 -7.702 2.508 -17.991 1.00 0.82 H new ATOM 0 HG12 VAL A 598 -6.272 3.506 -17.635 1.00 0.82 H new ATOM 0 HG13 VAL A 598 -7.578 3.361 -16.434 1.00 0.82 H new ATOM 0 HG21 VAL A 598 -9.875 3.563 -18.467 1.00 0.81 H new ATOM 0 HG22 VAL A 598 -9.835 4.467 -16.934 1.00 0.81 H new ATOM 0 HG23 VAL A 598 -10.036 5.336 -18.474 1.00 0.81 H new ATOM 408 N ASN A 599 -5.559 6.085 -16.121 1.00 0.23 N ATOM 409 CA ASN A 599 -4.140 6.077 -15.826 1.00 0.25 C ATOM 410 C ASN A 599 -3.901 5.471 -14.437 1.00 0.27 C ATOM 411 O ASN A 599 -4.431 5.973 -13.447 1.00 0.30 O ATOM 412 CB ASN A 599 -3.573 7.499 -15.931 1.00 0.29 C ATOM 413 CG ASN A 599 -2.965 8.029 -14.649 1.00 0.80 C ATOM 414 OD1 ASN A 599 -3.646 8.168 -13.634 1.00 1.88 O ATOM 415 ND2 ASN A 599 -1.682 8.348 -14.695 1.00 0.46 N ATOM 0 H ASN A 599 -6.148 6.217 -15.299 1.00 0.23 H new ATOM 0 HA ASN A 599 -3.617 5.458 -16.556 1.00 0.25 H new ATOM 0 HB2 ASN A 599 -2.814 7.517 -16.713 1.00 0.29 H new ATOM 0 HB3 ASN A 599 -4.370 8.172 -16.246 1.00 0.29 H new ATOM 0 HD21 ASN A 599 -1.220 8.725 -13.867 1.00 0.46 H new ATOM 0 HD22 ASN A 599 -1.154 8.216 -15.558 1.00 0.46 H new ATOM 422 N PRO A 600 -3.101 4.404 -14.322 1.00 0.27 N ATOM 423 CA PRO A 600 -2.439 3.748 -15.435 1.00 0.25 C ATOM 424 C PRO A 600 -3.316 2.640 -15.995 1.00 0.22 C ATOM 425 O PRO A 600 -4.227 2.165 -15.318 1.00 0.22 O ATOM 426 CB PRO A 600 -1.204 3.161 -14.772 1.00 0.28 C ATOM 427 CG PRO A 600 -1.679 2.761 -13.418 1.00 0.30 C ATOM 428 CD PRO A 600 -2.786 3.725 -13.050 1.00 0.30 C ATOM 0 HA PRO A 600 -2.218 4.412 -16.271 1.00 0.25 H new ATOM 0 HB2 PRO A 600 -0.820 2.306 -15.329 1.00 0.28 H new ATOM 0 HB3 PRO A 600 -0.397 3.892 -14.713 1.00 0.28 H new ATOM 0 HG2 PRO A 600 -2.044 1.734 -13.423 1.00 0.30 H new ATOM 0 HG3 PRO A 600 -0.867 2.807 -12.692 1.00 0.30 H new ATOM 0 HD2 PRO A 600 -3.655 3.202 -12.650 1.00 0.30 H new ATOM 0 HD3 PRO A 600 -2.462 4.434 -12.288 1.00 0.30 H new ATOM 436 N PHE A 601 -3.044 2.222 -17.217 1.00 0.21 N ATOM 437 CA PHE A 601 -3.823 1.161 -17.825 1.00 0.19 C ATOM 438 C PHE A 601 -3.178 -0.155 -17.446 1.00 0.20 C ATOM 439 O PHE A 601 -2.014 -0.400 -17.755 1.00 0.21 O ATOM 440 CB PHE A 601 -3.857 1.323 -19.347 1.00 0.20 C ATOM 441 CG PHE A 601 -5.076 0.741 -20.009 1.00 0.19 C ATOM 442 CD1 PHE A 601 -6.280 1.426 -20.003 1.00 0.23 C ATOM 443 CD2 PHE A 601 -5.010 -0.480 -20.662 1.00 0.22 C ATOM 444 CE1 PHE A 601 -7.393 0.903 -20.631 1.00 0.26 C ATOM 445 CE2 PHE A 601 -6.120 -1.004 -21.297 1.00 0.25 C ATOM 446 CZ PHE A 601 -7.313 -0.311 -21.280 1.00 0.25 C ATOM 0 H PHE A 601 -2.298 2.596 -17.803 1.00 0.21 H new ATOM 0 HA PHE A 601 -4.853 1.196 -17.470 1.00 0.19 H new ATOM 0 HB2 PHE A 601 -3.800 2.384 -19.588 1.00 0.20 H new ATOM 0 HB3 PHE A 601 -2.970 0.852 -19.770 1.00 0.20 H new ATOM 0 HD1 PHE A 601 -6.349 2.380 -19.501 1.00 0.23 H new ATOM 0 HD2 PHE A 601 -4.080 -1.029 -20.675 1.00 0.22 H new ATOM 0 HE1 PHE A 601 -8.327 1.445 -20.614 1.00 0.26 H new ATOM 0 HE2 PHE A 601 -6.054 -1.954 -21.806 1.00 0.25 H new ATOM 0 HZ PHE A 601 -8.183 -0.719 -21.774 1.00 0.25 H new ATOM 456 N PHE A 602 -3.924 -0.976 -16.720 1.00 0.19 N ATOM 457 CA PHE A 602 -3.399 -2.239 -16.237 1.00 0.19 C ATOM 458 C PHE A 602 -3.631 -3.347 -17.239 1.00 0.19 C ATOM 459 O PHE A 602 -4.682 -3.434 -17.868 1.00 0.18 O ATOM 460 CB PHE A 602 -4.027 -2.590 -14.890 1.00 0.20 C ATOM 461 CG PHE A 602 -3.881 -1.502 -13.865 1.00 0.20 C ATOM 462 CD1 PHE A 602 -2.715 -1.378 -13.127 1.00 0.22 C ATOM 463 CD2 PHE A 602 -4.910 -0.600 -13.644 1.00 0.22 C ATOM 464 CE1 PHE A 602 -2.577 -0.374 -12.189 1.00 0.24 C ATOM 465 CE2 PHE A 602 -4.778 0.405 -12.706 1.00 0.24 C ATOM 466 CZ PHE A 602 -3.610 0.519 -11.977 1.00 0.24 C ATOM 0 H PHE A 602 -4.891 -0.788 -16.455 1.00 0.19 H new ATOM 0 HA PHE A 602 -2.322 -2.132 -16.105 1.00 0.19 H new ATOM 0 HB2 PHE A 602 -5.086 -2.803 -15.035 1.00 0.20 H new ATOM 0 HB3 PHE A 602 -3.568 -3.502 -14.509 1.00 0.20 H new ATOM 0 HD1 PHE A 602 -1.905 -2.074 -13.287 1.00 0.22 H new ATOM 0 HD2 PHE A 602 -5.825 -0.684 -14.212 1.00 0.22 H new ATOM 0 HE1 PHE A 602 -1.662 -0.287 -11.621 1.00 0.24 H new ATOM 0 HE2 PHE A 602 -5.587 1.101 -12.542 1.00 0.24 H new ATOM 0 HZ PHE A 602 -3.505 1.304 -11.243 1.00 0.24 H new ATOM 476 N ILE A 603 -2.601 -4.160 -17.409 1.00 0.20 N ATOM 477 CA ILE A 603 -2.623 -5.250 -18.366 1.00 0.19 C ATOM 478 C ILE A 603 -2.107 -6.547 -17.757 1.00 0.20 C ATOM 479 O ILE A 603 -1.105 -6.565 -17.046 1.00 0.22 O ATOM 480 CB ILE A 603 -1.749 -4.895 -19.584 1.00 0.23 C ATOM 481 CG1 ILE A 603 -1.780 -3.381 -19.839 1.00 0.36 C ATOM 482 CG2 ILE A 603 -2.200 -5.658 -20.812 1.00 0.20 C ATOM 483 CD1 ILE A 603 -0.802 -2.916 -20.892 1.00 0.45 C ATOM 0 H ILE A 603 -1.728 -4.082 -16.887 1.00 0.20 H new ATOM 0 HA ILE A 603 -3.660 -5.396 -18.669 1.00 0.19 H new ATOM 0 HB ILE A 603 -0.721 -5.187 -19.368 1.00 0.23 H new ATOM 0 HG12 ILE A 603 -2.787 -3.094 -20.141 1.00 0.36 H new ATOM 0 HG13 ILE A 603 -1.567 -2.861 -18.905 1.00 0.36 H new ATOM 0 HG21 ILE A 603 -1.568 -5.391 -21.659 1.00 0.20 H new ATOM 0 HG22 ILE A 603 -2.121 -6.729 -20.624 1.00 0.20 H new ATOM 0 HG23 ILE A 603 -3.236 -5.404 -21.038 1.00 0.20 H new ATOM 0 HD11 ILE A 603 -0.885 -1.836 -21.014 1.00 0.45 H new ATOM 0 HD12 ILE A 603 0.212 -3.170 -20.584 1.00 0.45 H new ATOM 0 HD13 ILE A 603 -1.027 -3.406 -21.839 1.00 0.45 H new ATOM 495 N GLY A 604 -2.807 -7.626 -18.052 1.00 0.20 N ATOM 496 CA GLY A 604 -2.431 -8.932 -17.551 1.00 0.21 C ATOM 497 C GLY A 604 -3.523 -9.966 -17.738 1.00 0.21 C ATOM 498 O GLY A 604 -4.603 -9.656 -18.239 1.00 0.30 O ATOM 0 H GLY A 604 -3.642 -7.622 -18.638 1.00 0.20 H new ATOM 0 HA2 GLY A 604 -1.528 -9.267 -18.062 1.00 0.21 H new ATOM 0 HA3 GLY A 604 -2.188 -8.854 -16.491 1.00 0.21 H new ATOM 502 N ARG A 605 -3.234 -11.202 -17.341 1.00 0.20 N ATOM 503 CA ARG A 605 -4.189 -12.296 -17.474 1.00 0.22 C ATOM 504 C ARG A 605 -5.536 -11.940 -16.858 1.00 0.22 C ATOM 505 O ARG A 605 -6.581 -12.144 -17.474 1.00 0.27 O ATOM 506 CB ARG A 605 -3.637 -13.564 -16.822 1.00 0.26 C ATOM 507 CG ARG A 605 -4.538 -14.776 -16.989 1.00 0.55 C ATOM 508 CD ARG A 605 -4.069 -15.666 -18.128 1.00 0.36 C ATOM 509 NE ARG A 605 -3.278 -16.798 -17.652 1.00 0.71 N ATOM 510 CZ ARG A 605 -3.755 -17.757 -16.859 1.00 0.45 C ATOM 511 NH1 ARG A 605 -5.020 -17.730 -16.458 1.00 1.02 N ATOM 512 NH2 ARG A 605 -2.964 -18.749 -16.472 1.00 1.02 N ATOM 0 H ARG A 605 -2.343 -11.471 -16.923 1.00 0.20 H new ATOM 0 HA ARG A 605 -4.341 -12.474 -18.538 1.00 0.22 H new ATOM 0 HB2 ARG A 605 -2.660 -13.787 -17.250 1.00 0.26 H new ATOM 0 HB3 ARG A 605 -3.485 -13.379 -15.759 1.00 0.26 H new ATOM 0 HG2 ARG A 605 -4.555 -15.349 -16.062 1.00 0.55 H new ATOM 0 HG3 ARG A 605 -5.560 -14.448 -17.179 1.00 0.55 H new ATOM 0 HD2 ARG A 605 -4.934 -16.035 -18.679 1.00 0.36 H new ATOM 0 HD3 ARG A 605 -3.474 -15.077 -18.826 1.00 0.36 H new ATOM 0 HE ARG A 605 -2.303 -16.858 -17.944 1.00 0.71 H new ATOM 0 HH11 ARG A 605 -5.634 -16.972 -16.757 1.00 1.02 H new ATOM 0 HH12 ARG A 605 -5.378 -18.467 -15.851 1.00 1.02 H new ATOM 0 HH21 ARG A 605 -1.992 -18.777 -16.781 1.00 1.02 H new ATOM 0 HH22 ARG A 605 -3.327 -19.484 -15.865 1.00 1.02 H new ATOM 526 N SER A 606 -5.511 -11.404 -15.643 1.00 0.22 N ATOM 527 CA SER A 606 -6.738 -11.025 -14.967 1.00 0.24 C ATOM 528 C SER A 606 -7.372 -9.824 -15.654 1.00 0.21 C ATOM 529 O SER A 606 -6.770 -8.753 -15.730 1.00 0.20 O ATOM 530 CB SER A 606 -6.463 -10.713 -13.500 1.00 0.29 C ATOM 531 OG SER A 606 -7.357 -11.413 -12.653 1.00 1.32 O ATOM 0 H SER A 606 -4.659 -11.224 -15.112 1.00 0.22 H new ATOM 0 HA SER A 606 -7.434 -11.862 -15.018 1.00 0.24 H new ATOM 0 HB2 SER A 606 -5.436 -10.984 -13.254 1.00 0.29 H new ATOM 0 HB3 SER A 606 -6.559 -9.641 -13.329 1.00 0.29 H new ATOM 0 HG SER A 606 -7.994 -10.782 -12.258 1.00 1.32 H new ATOM 537 N GLU A 607 -8.593 -10.004 -16.153 1.00 0.23 N ATOM 538 CA GLU A 607 -9.302 -8.926 -16.832 1.00 0.24 C ATOM 539 C GLU A 607 -9.329 -7.668 -15.973 1.00 0.23 C ATOM 540 O GLU A 607 -9.523 -6.567 -16.489 1.00 0.24 O ATOM 541 CB GLU A 607 -10.726 -9.356 -17.186 1.00 0.28 C ATOM 542 CG GLU A 607 -11.604 -9.614 -15.972 1.00 1.05 C ATOM 543 CD GLU A 607 -11.935 -11.082 -15.791 1.00 1.67 C ATOM 544 OE1 GLU A 607 -12.111 -11.781 -16.812 1.00 2.26 O ATOM 545 OE2 GLU A 607 -12.019 -11.535 -14.630 1.00 2.37 O ATOM 0 H GLU A 607 -9.109 -10.882 -16.100 1.00 0.23 H new ATOM 0 HA GLU A 607 -8.767 -8.701 -17.755 1.00 0.24 H new ATOM 0 HB2 GLU A 607 -11.188 -8.583 -17.800 1.00 0.28 H new ATOM 0 HB3 GLU A 607 -10.683 -10.261 -17.792 1.00 0.28 H new ATOM 0 HG2 GLU A 607 -11.099 -9.247 -15.079 1.00 1.05 H new ATOM 0 HG3 GLU A 607 -12.529 -9.047 -16.071 1.00 1.05 H new ATOM 552 N ASP A 608 -9.100 -7.824 -14.662 1.00 0.23 N ATOM 553 CA ASP A 608 -9.065 -6.677 -13.761 1.00 0.25 C ATOM 554 C ASP A 608 -8.203 -5.584 -14.381 1.00 0.23 C ATOM 555 O ASP A 608 -8.438 -4.391 -14.181 1.00 0.25 O ATOM 556 CB ASP A 608 -8.504 -7.082 -12.397 1.00 0.27 C ATOM 557 CG ASP A 608 -9.520 -7.825 -11.552 1.00 1.06 C ATOM 558 OD1 ASP A 608 -10.356 -7.159 -10.906 1.00 1.88 O ATOM 559 OD2 ASP A 608 -9.478 -9.073 -11.535 1.00 1.72 O ATOM 0 H ASP A 608 -8.939 -8.725 -14.211 1.00 0.23 H new ATOM 0 HA ASP A 608 -10.079 -6.305 -13.613 1.00 0.25 H new ATOM 0 HB2 ASP A 608 -7.625 -7.711 -12.541 1.00 0.27 H new ATOM 0 HB3 ASP A 608 -8.174 -6.191 -11.864 1.00 0.27 H new ATOM 564 N CYS A 609 -7.224 -6.021 -15.169 1.00 0.21 N ATOM 565 CA CYS A 609 -6.334 -5.127 -15.870 1.00 0.20 C ATOM 566 C CYS A 609 -7.089 -4.424 -16.987 1.00 0.20 C ATOM 567 O CYS A 609 -7.640 -5.079 -17.872 1.00 0.21 O ATOM 568 CB CYS A 609 -5.162 -5.925 -16.423 1.00 0.20 C ATOM 569 SG CYS A 609 -3.768 -6.030 -15.282 1.00 0.27 S ATOM 0 H CYS A 609 -7.033 -7.009 -15.334 1.00 0.21 H new ATOM 0 HA CYS A 609 -5.952 -4.368 -15.188 1.00 0.20 H new ATOM 0 HB2 CYS A 609 -5.500 -6.932 -16.666 1.00 0.20 H new ATOM 0 HB3 CYS A 609 -4.827 -5.468 -17.354 1.00 0.20 H new ATOM 0 HG CYS A 609 -3.663 -7.246 -14.836 1.00 0.27 H new ATOM 575 N ASN A 610 -7.124 -3.090 -16.939 1.00 0.20 N ATOM 576 CA ASN A 610 -7.826 -2.300 -17.953 1.00 0.21 C ATOM 577 C ASN A 610 -7.670 -2.929 -19.334 1.00 0.20 C ATOM 578 O ASN A 610 -8.592 -2.919 -20.150 1.00 0.21 O ATOM 579 CB ASN A 610 -7.320 -0.871 -17.955 1.00 0.22 C ATOM 580 CG ASN A 610 -8.440 0.117 -17.796 1.00 0.31 C ATOM 581 OD1 ASN A 610 -9.213 0.358 -18.723 1.00 1.24 O ATOM 582 ND2 ASN A 610 -8.542 0.689 -16.618 1.00 1.10 N ATOM 0 H ASN A 610 -6.675 -2.535 -16.210 1.00 0.20 H new ATOM 0 HA ASN A 610 -8.887 -2.289 -17.705 1.00 0.21 H new ATOM 0 HB2 ASN A 610 -6.601 -0.739 -17.146 1.00 0.22 H new ATOM 0 HB3 ASN A 610 -6.791 -0.674 -18.887 1.00 0.22 H new ATOM 0 HD21 ASN A 610 -9.286 1.365 -16.442 1.00 1.10 H new ATOM 0 HD22 ASN A 610 -7.878 0.458 -15.879 1.00 1.10 H new ATOM 589 N CYS A 611 -6.501 -3.513 -19.558 1.00 0.20 N ATOM 590 CA CYS A 611 -6.201 -4.203 -20.803 1.00 0.21 C ATOM 591 C CYS A 611 -6.404 -5.695 -20.587 1.00 0.22 C ATOM 592 O CYS A 611 -6.140 -6.204 -19.498 1.00 0.24 O ATOM 593 CB CYS A 611 -4.769 -3.918 -21.242 1.00 0.24 C ATOM 594 SG CYS A 611 -4.469 -4.171 -23.007 1.00 0.50 S ATOM 0 H CYS A 611 -5.736 -3.521 -18.883 1.00 0.20 H new ATOM 0 HA CYS A 611 -6.866 -3.849 -21.590 1.00 0.21 H new ATOM 0 HB2 CYS A 611 -4.521 -2.888 -20.987 1.00 0.24 H new ATOM 0 HB3 CYS A 611 -4.093 -4.558 -20.675 1.00 0.24 H new ATOM 0 HG CYS A 611 -5.081 -3.248 -23.688 1.00 0.50 H new ATOM 600 N LYS A 612 -6.899 -6.395 -21.597 1.00 0.22 N ATOM 601 CA LYS A 612 -7.155 -7.831 -21.439 1.00 0.26 C ATOM 602 C LYS A 612 -6.261 -8.698 -22.318 1.00 0.32 C ATOM 603 O LYS A 612 -6.245 -8.565 -23.543 1.00 0.41 O ATOM 604 CB LYS A 612 -8.629 -8.147 -21.703 1.00 0.31 C ATOM 605 CG LYS A 612 -9.320 -8.805 -20.516 1.00 0.38 C ATOM 606 CD LYS A 612 -9.893 -10.165 -20.880 1.00 1.00 C ATOM 607 CE LYS A 612 -11.214 -10.033 -21.620 1.00 1.54 C ATOM 608 NZ LYS A 612 -11.013 -9.763 -23.070 1.00 2.07 N ATOM 0 H LYS A 612 -7.128 -6.011 -22.514 1.00 0.22 H new ATOM 0 HA LYS A 612 -6.911 -8.076 -20.405 1.00 0.26 H new ATOM 0 HB2 LYS A 612 -9.153 -7.225 -21.955 1.00 0.31 H new ATOM 0 HB3 LYS A 612 -8.704 -8.804 -22.570 1.00 0.31 H new ATOM 0 HG2 LYS A 612 -8.609 -8.917 -19.698 1.00 0.38 H new ATOM 0 HG3 LYS A 612 -10.120 -8.158 -20.156 1.00 0.38 H new ATOM 0 HD2 LYS A 612 -9.180 -10.707 -21.501 1.00 1.00 H new ATOM 0 HD3 LYS A 612 -10.039 -10.754 -19.974 1.00 1.00 H new ATOM 0 HE2 LYS A 612 -11.792 -10.949 -21.498 1.00 1.54 H new ATOM 0 HE3 LYS A 612 -11.799 -9.226 -21.178 1.00 1.54 H new ATOM 0 HZ1 LYS A 612 -11.883 -9.995 -23.590 1.00 2.07 H new ATOM 0 HZ2 LYS A 612 -10.785 -8.758 -23.208 1.00 2.07 H new ATOM 0 HZ3 LYS A 612 -10.230 -10.348 -23.427 1.00 2.07 H new ATOM 622 N ILE A 613 -5.530 -9.602 -21.666 1.00 0.31 N ATOM 623 CA ILE A 613 -4.634 -10.527 -22.350 1.00 0.39 C ATOM 624 C ILE A 613 -4.744 -11.913 -21.739 1.00 0.35 C ATOM 625 O ILE A 613 -4.292 -12.124 -20.616 1.00 0.33 O ATOM 626 CB ILE A 613 -3.162 -10.079 -22.242 1.00 0.48 C ATOM 627 CG1 ILE A 613 -3.047 -8.560 -22.378 1.00 0.84 C ATOM 628 CG2 ILE A 613 -2.309 -10.782 -23.289 1.00 0.63 C ATOM 629 CD1 ILE A 613 -3.537 -8.037 -23.705 1.00 1.11 C ATOM 0 H ILE A 613 -5.544 -9.712 -20.652 1.00 0.31 H new ATOM 0 HA ILE A 613 -4.932 -10.541 -23.398 1.00 0.39 H new ATOM 0 HB ILE A 613 -2.791 -10.360 -21.256 1.00 0.48 H new ATOM 0 HG12 ILE A 613 -3.616 -8.087 -21.577 1.00 0.84 H new ATOM 0 HG13 ILE A 613 -2.005 -8.269 -22.244 1.00 0.84 H new ATOM 0 HG21 ILE A 613 -1.274 -10.452 -23.196 1.00 0.63 H new ATOM 0 HG22 ILE A 613 -2.362 -11.860 -23.137 1.00 0.63 H new ATOM 0 HG23 ILE A 613 -2.680 -10.537 -24.284 1.00 0.63 H new ATOM 0 HD11 ILE A 613 -3.426 -6.953 -23.732 1.00 1.11 H new ATOM 0 HD12 ILE A 613 -2.952 -8.482 -24.510 1.00 1.11 H new ATOM 0 HD13 ILE A 613 -4.588 -8.298 -23.833 1.00 1.11 H new ATOM 641 N GLU A 614 -5.308 -12.870 -22.469 1.00 0.38 N ATOM 642 CA GLU A 614 -5.400 -14.207 -21.937 1.00 0.37 C ATOM 643 C GLU A 614 -4.169 -14.974 -22.361 1.00 0.36 C ATOM 644 O GLU A 614 -4.079 -15.510 -23.465 1.00 0.38 O ATOM 645 CB GLU A 614 -6.668 -14.906 -22.436 1.00 0.41 C ATOM 646 CG GLU A 614 -7.661 -15.224 -21.331 1.00 1.26 C ATOM 647 CD GLU A 614 -8.726 -16.209 -21.770 1.00 2.05 C ATOM 648 OE1 GLU A 614 -8.382 -17.182 -22.475 1.00 2.62 O ATOM 649 OE2 GLU A 614 -9.905 -16.010 -21.411 1.00 2.75 O ATOM 0 H GLU A 614 -5.696 -12.743 -23.404 1.00 0.38 H new ATOM 0 HA GLU A 614 -5.456 -14.166 -20.849 1.00 0.37 H new ATOM 0 HB2 GLU A 614 -7.154 -14.273 -23.179 1.00 0.41 H new ATOM 0 HB3 GLU A 614 -6.389 -15.831 -22.940 1.00 0.41 H new ATOM 0 HG2 GLU A 614 -7.126 -15.631 -20.473 1.00 1.26 H new ATOM 0 HG3 GLU A 614 -8.139 -14.302 -21.000 1.00 1.26 H new ATOM 656 N ASP A 615 -3.239 -15.016 -21.441 1.00 0.34 N ATOM 657 CA ASP A 615 -1.982 -15.704 -21.616 1.00 0.35 C ATOM 658 C ASP A 615 -1.683 -16.544 -20.383 1.00 0.34 C ATOM 659 O ASP A 615 -1.352 -16.010 -19.326 1.00 0.34 O ATOM 660 CB ASP A 615 -0.869 -14.691 -21.867 1.00 0.36 C ATOM 661 CG ASP A 615 -0.847 -14.196 -23.298 1.00 0.90 C ATOM 662 OD1 ASP A 615 -1.935 -13.972 -23.867 1.00 1.61 O ATOM 663 OD2 ASP A 615 0.260 -14.027 -23.848 1.00 1.61 O ATOM 0 H ASP A 615 -3.335 -14.565 -20.531 1.00 0.34 H new ATOM 0 HA ASP A 615 -2.044 -16.366 -22.479 1.00 0.35 H new ATOM 0 HB2 ASP A 615 -0.996 -13.843 -21.194 1.00 0.36 H new ATOM 0 HB3 ASP A 615 0.092 -15.146 -21.628 1.00 0.36 H new ATOM 668 N ASN A 616 -1.810 -17.847 -20.520 1.00 0.35 N ATOM 669 CA ASN A 616 -1.559 -18.768 -19.410 1.00 0.36 C ATOM 670 C ASN A 616 -0.315 -18.366 -18.610 1.00 0.36 C ATOM 671 O ASN A 616 -0.285 -18.495 -17.387 1.00 0.35 O ATOM 672 CB ASN A 616 -1.401 -20.195 -19.936 1.00 0.39 C ATOM 673 CG ASN A 616 -2.730 -20.829 -20.297 1.00 0.99 C ATOM 674 OD1 ASN A 616 -3.381 -21.453 -19.460 1.00 1.89 O ATOM 675 ND2 ASN A 616 -3.139 -20.669 -21.550 1.00 1.31 N ATOM 0 H ASN A 616 -2.086 -18.303 -21.390 1.00 0.35 H new ATOM 0 HA ASN A 616 -2.417 -18.720 -18.740 1.00 0.36 H new ATOM 0 HB2 ASN A 616 -0.755 -20.186 -20.814 1.00 0.39 H new ATOM 0 HB3 ASN A 616 -0.904 -20.804 -19.181 1.00 0.39 H new ATOM 0 HD21 ASN A 616 -4.026 -21.072 -21.852 1.00 1.31 H new ATOM 0 HD22 ASN A 616 -2.566 -20.143 -22.210 1.00 1.31 H new ATOM 682 N ARG A 617 0.708 -17.885 -19.313 1.00 0.37 N ATOM 683 CA ARG A 617 1.957 -17.468 -18.677 1.00 0.39 C ATOM 684 C ARG A 617 1.835 -16.091 -18.023 1.00 0.37 C ATOM 685 O ARG A 617 2.512 -15.799 -17.037 1.00 0.38 O ATOM 686 CB ARG A 617 3.087 -17.461 -19.707 1.00 0.43 C ATOM 687 CG ARG A 617 3.304 -18.808 -20.379 1.00 0.68 C ATOM 688 CD ARG A 617 3.538 -19.908 -19.356 1.00 0.57 C ATOM 689 NE ARG A 617 2.291 -20.353 -18.734 1.00 0.50 N ATOM 690 CZ ARG A 617 2.224 -20.943 -17.542 1.00 0.54 C ATOM 691 NH1 ARG A 617 3.329 -21.173 -16.842 1.00 0.61 N ATOM 692 NH2 ARG A 617 1.049 -21.310 -17.049 1.00 0.59 N ATOM 0 H ARG A 617 0.697 -17.774 -20.327 1.00 0.37 H new ATOM 0 HA ARG A 617 2.183 -18.186 -17.888 1.00 0.39 H new ATOM 0 HB2 ARG A 617 2.868 -16.714 -20.470 1.00 0.43 H new ATOM 0 HB3 ARG A 617 4.012 -17.155 -19.218 1.00 0.43 H new ATOM 0 HG2 ARG A 617 2.436 -19.056 -20.989 1.00 0.68 H new ATOM 0 HG3 ARG A 617 4.159 -18.747 -21.052 1.00 0.68 H new ATOM 0 HD2 ARG A 617 4.024 -20.755 -19.840 1.00 0.57 H new ATOM 0 HD3 ARG A 617 4.219 -19.547 -18.585 1.00 0.57 H new ATOM 0 HE ARG A 617 1.421 -20.202 -19.244 1.00 0.50 H new ATOM 0 HH11 ARG A 617 4.237 -20.897 -17.217 1.00 0.61 H new ATOM 0 HH12 ARG A 617 3.270 -21.625 -15.930 1.00 0.61 H new ATOM 0 HH21 ARG A 617 0.197 -21.140 -17.583 1.00 0.59 H new ATOM 0 HH22 ARG A 617 0.998 -21.762 -16.136 1.00 0.59 H new ATOM 706 N LEU A 618 0.978 -15.246 -18.583 1.00 0.37 N ATOM 707 CA LEU A 618 0.772 -13.893 -18.065 1.00 0.37 C ATOM 708 C LEU A 618 0.285 -13.912 -16.615 1.00 0.31 C ATOM 709 O LEU A 618 -0.265 -14.907 -16.147 1.00 0.32 O ATOM 710 CB LEU A 618 -0.249 -13.159 -18.932 1.00 0.45 C ATOM 711 CG LEU A 618 0.348 -12.194 -19.951 1.00 0.37 C ATOM 712 CD1 LEU A 618 1.249 -12.923 -20.935 1.00 0.63 C ATOM 713 CD2 LEU A 618 -0.753 -11.445 -20.681 1.00 0.72 C ATOM 0 H LEU A 618 0.411 -15.472 -19.400 1.00 0.37 H new ATOM 0 HA LEU A 618 1.731 -13.376 -18.095 1.00 0.37 H new ATOM 0 HB2 LEU A 618 -0.851 -13.897 -19.462 1.00 0.45 H new ATOM 0 HB3 LEU A 618 -0.925 -12.604 -18.281 1.00 0.45 H new ATOM 0 HG LEU A 618 0.961 -11.470 -19.413 1.00 0.37 H new ATOM 0 HD11 LEU A 618 1.660 -12.210 -21.649 1.00 0.63 H new ATOM 0 HD12 LEU A 618 2.063 -13.405 -20.394 1.00 0.63 H new ATOM 0 HD13 LEU A 618 0.670 -13.677 -21.468 1.00 0.63 H new ATOM 0 HD21 LEU A 618 -0.310 -10.761 -21.404 1.00 0.72 H new ATOM 0 HD22 LEU A 618 -1.394 -12.157 -21.201 1.00 0.72 H new ATOM 0 HD23 LEU A 618 -1.346 -10.879 -19.963 1.00 0.72 H new ATOM 725 N SER A 619 0.484 -12.795 -15.918 1.00 0.34 N ATOM 726 CA SER A 619 0.059 -12.668 -14.526 1.00 0.30 C ATOM 727 C SER A 619 -1.108 -11.689 -14.408 1.00 0.29 C ATOM 728 O SER A 619 -1.513 -11.077 -15.397 1.00 0.30 O ATOM 729 CB SER A 619 1.224 -12.198 -13.654 1.00 0.29 C ATOM 730 OG SER A 619 2.155 -13.244 -13.439 1.00 1.09 O ATOM 0 H SER A 619 0.938 -11.963 -16.296 1.00 0.34 H new ATOM 0 HA SER A 619 -0.270 -13.648 -14.179 1.00 0.30 H new ATOM 0 HB2 SER A 619 1.723 -11.355 -14.132 1.00 0.29 H new ATOM 0 HB3 SER A 619 0.845 -11.842 -12.696 1.00 0.29 H new ATOM 0 HG SER A 619 2.891 -12.917 -12.880 1.00 1.09 H new ATOM 736 N ARG A 620 -1.646 -11.538 -13.197 1.00 0.30 N ATOM 737 CA ARG A 620 -2.763 -10.622 -12.972 1.00 0.30 C ATOM 738 C ARG A 620 -2.404 -9.226 -13.462 1.00 0.27 C ATOM 739 O ARG A 620 -2.930 -8.760 -14.472 1.00 0.27 O ATOM 740 CB ARG A 620 -3.147 -10.583 -11.493 1.00 0.32 C ATOM 741 CG ARG A 620 -3.902 -11.818 -11.031 1.00 0.37 C ATOM 742 CD ARG A 620 -2.980 -13.022 -10.918 1.00 0.37 C ATOM 743 NE ARG A 620 -2.953 -13.810 -12.149 1.00 0.60 N ATOM 744 CZ ARG A 620 -2.010 -14.707 -12.435 1.00 0.65 C ATOM 745 NH1 ARG A 620 -1.018 -14.932 -11.584 1.00 0.76 N ATOM 746 NH2 ARG A 620 -2.061 -15.381 -13.577 1.00 0.91 N ATOM 0 H ARG A 620 -1.329 -12.034 -12.364 1.00 0.30 H new ATOM 0 HA ARG A 620 -3.622 -10.985 -13.536 1.00 0.30 H new ATOM 0 HB2 ARG A 620 -2.243 -10.474 -10.894 1.00 0.32 H new ATOM 0 HB3 ARG A 620 -3.760 -9.701 -11.308 1.00 0.32 H new ATOM 0 HG2 ARG A 620 -4.367 -11.622 -10.065 1.00 0.37 H new ATOM 0 HG3 ARG A 620 -4.706 -12.038 -11.733 1.00 0.37 H new ATOM 0 HD2 ARG A 620 -1.971 -12.685 -10.682 1.00 0.37 H new ATOM 0 HD3 ARG A 620 -3.307 -13.653 -10.091 1.00 0.37 H new ATOM 0 HE ARG A 620 -3.700 -13.665 -12.829 1.00 0.60 H new ATOM 0 HH11 ARG A 620 -0.974 -14.417 -10.705 1.00 0.76 H new ATOM 0 HH12 ARG A 620 -0.299 -15.620 -11.809 1.00 0.76 H new ATOM 0 HH21 ARG A 620 -2.822 -15.212 -14.235 1.00 0.91 H new ATOM 0 HH22 ARG A 620 -1.339 -16.068 -13.797 1.00 0.91 H new ATOM 760 N VAL A 621 -1.478 -8.575 -12.766 1.00 0.25 N ATOM 761 CA VAL A 621 -1.027 -7.252 -13.169 1.00 0.23 C ATOM 762 C VAL A 621 0.243 -7.389 -13.994 1.00 0.22 C ATOM 763 O VAL A 621 1.282 -6.800 -13.693 1.00 0.23 O ATOM 764 CB VAL A 621 -0.777 -6.323 -11.971 1.00 0.24 C ATOM 765 CG1 VAL A 621 -0.473 -4.914 -12.462 1.00 0.25 C ATOM 766 CG2 VAL A 621 -1.983 -6.327 -11.042 1.00 0.26 C ATOM 0 H VAL A 621 -1.029 -8.940 -11.926 1.00 0.25 H new ATOM 0 HA VAL A 621 -1.820 -6.797 -13.762 1.00 0.23 H new ATOM 0 HB VAL A 621 0.084 -6.686 -11.410 1.00 0.24 H new ATOM 0 HG11 VAL A 621 -0.297 -4.261 -11.607 1.00 0.25 H new ATOM 0 HG12 VAL A 621 0.415 -4.933 -13.094 1.00 0.25 H new ATOM 0 HG13 VAL A 621 -1.319 -4.539 -13.037 1.00 0.25 H new ATOM 0 HG21 VAL A 621 -1.794 -5.665 -10.197 1.00 0.26 H new ATOM 0 HG22 VAL A 621 -2.862 -5.980 -11.585 1.00 0.26 H new ATOM 0 HG23 VAL A 621 -2.158 -7.339 -10.678 1.00 0.26 H new ATOM 776 N HIS A 622 0.125 -8.202 -15.031 1.00 0.21 N ATOM 777 CA HIS A 622 1.210 -8.502 -15.950 1.00 0.21 C ATOM 778 C HIS A 622 2.026 -7.272 -16.323 1.00 0.21 C ATOM 779 O HIS A 622 3.249 -7.327 -16.413 1.00 0.23 O ATOM 780 CB HIS A 622 0.611 -9.103 -17.205 1.00 0.21 C ATOM 781 CG HIS A 622 1.611 -9.672 -18.138 1.00 0.22 C ATOM 782 ND1 HIS A 622 1.863 -9.381 -19.429 1.00 0.22 N flip ATOM 783 CD2 HIS A 622 2.475 -10.685 -17.791 1.00 0.26 C flip ATOM 784 CE1 HIS A 622 2.876 -10.219 -19.843 1.00 0.25 C flip ATOM 785 NE2 HIS A 622 3.221 -10.999 -18.830 1.00 0.28 N flip ATOM 0 H HIS A 622 -0.745 -8.681 -15.262 1.00 0.21 H new ATOM 0 HA HIS A 622 1.890 -9.195 -15.455 1.00 0.21 H new ATOM 0 HB2 HIS A 622 -0.092 -9.886 -16.921 1.00 0.21 H new ATOM 0 HB3 HIS A 622 0.039 -8.335 -17.726 1.00 0.21 H new ATOM 0 HD2 HIS A 622 2.533 -11.150 -16.818 1.00 0.26 H new ATOM 0 HE1 HIS A 622 3.315 -10.237 -20.829 1.00 0.25 H new ATOM 0 HE2 HIS A 622 3.942 -11.720 -18.851 1.00 0.28 H new ATOM 794 N CYS A 623 1.339 -6.169 -16.562 1.00 0.19 N ATOM 795 CA CYS A 623 1.990 -4.930 -16.946 1.00 0.19 C ATOM 796 C CYS A 623 0.946 -3.859 -17.155 1.00 0.20 C ATOM 797 O CYS A 623 -0.198 -4.156 -17.479 1.00 0.23 O ATOM 798 CB CYS A 623 2.809 -5.113 -18.225 1.00 0.20 C ATOM 799 SG CYS A 623 2.002 -6.123 -19.490 1.00 0.24 S ATOM 0 H CYS A 623 0.323 -6.107 -16.496 1.00 0.19 H new ATOM 0 HA CYS A 623 2.670 -4.633 -16.148 1.00 0.19 H new ATOM 0 HB2 CYS A 623 3.027 -4.131 -18.646 1.00 0.20 H new ATOM 0 HB3 CYS A 623 3.765 -5.570 -17.968 1.00 0.20 H new ATOM 0 HG CYS A 623 2.138 -7.381 -19.193 1.00 0.24 H new ATOM 805 N PHE A 624 1.333 -2.616 -16.964 1.00 0.17 N ATOM 806 CA PHE A 624 0.410 -1.516 -17.130 1.00 0.17 C ATOM 807 C PHE A 624 1.098 -0.320 -17.734 1.00 0.17 C ATOM 808 O PHE A 624 2.291 -0.101 -17.531 1.00 0.18 O ATOM 809 CB PHE A 624 -0.194 -1.115 -15.787 1.00 0.18 C ATOM 810 CG PHE A 624 0.836 -0.814 -14.750 1.00 0.19 C ATOM 811 CD1 PHE A 624 1.402 0.448 -14.644 1.00 0.25 C ATOM 812 CD2 PHE A 624 1.245 -1.806 -13.889 1.00 0.27 C ATOM 813 CE1 PHE A 624 2.363 0.700 -13.685 1.00 0.25 C ATOM 814 CE2 PHE A 624 2.201 -1.564 -12.930 1.00 0.30 C ATOM 815 CZ PHE A 624 2.765 -0.307 -12.825 1.00 0.22 C ATOM 0 H PHE A 624 2.278 -2.343 -16.694 1.00 0.17 H new ATOM 0 HA PHE A 624 -0.381 -1.850 -17.801 1.00 0.17 H new ATOM 0 HB2 PHE A 624 -0.827 -0.239 -15.927 1.00 0.18 H new ATOM 0 HB3 PHE A 624 -0.837 -1.919 -15.430 1.00 0.18 H new ATOM 0 HD1 PHE A 624 1.090 1.236 -15.314 1.00 0.25 H new ATOM 0 HD2 PHE A 624 0.808 -2.791 -13.967 1.00 0.27 H new ATOM 0 HE1 PHE A 624 2.801 1.684 -13.606 1.00 0.25 H new ATOM 0 HE2 PHE A 624 2.510 -2.354 -12.261 1.00 0.30 H new ATOM 0 HZ PHE A 624 3.517 -0.111 -12.075 1.00 0.22 H new ATOM 825 N ILE A 625 0.325 0.477 -18.435 1.00 0.17 N ATOM 826 CA ILE A 625 0.838 1.688 -19.029 1.00 0.17 C ATOM 827 C ILE A 625 0.410 2.848 -18.157 1.00 0.18 C ATOM 828 O ILE A 625 -0.777 3.041 -17.900 1.00 0.19 O ATOM 829 CB ILE A 625 0.334 1.879 -20.470 1.00 0.19 C ATOM 830 CG1 ILE A 625 0.945 0.819 -21.388 1.00 0.63 C ATOM 831 CG2 ILE A 625 0.659 3.276 -20.981 1.00 0.58 C ATOM 832 CD1 ILE A 625 0.248 0.702 -22.725 1.00 0.76 C ATOM 0 H ILE A 625 -0.666 0.307 -18.608 1.00 0.17 H new ATOM 0 HA ILE A 625 1.925 1.630 -19.087 1.00 0.17 H new ATOM 0 HB ILE A 625 -0.750 1.763 -20.471 1.00 0.19 H new ATOM 0 HG12 ILE A 625 1.996 1.057 -21.555 1.00 0.63 H new ATOM 0 HG13 ILE A 625 0.913 -0.147 -20.885 1.00 0.63 H new ATOM 0 HG21 ILE A 625 0.292 3.385 -22.002 1.00 0.58 H new ATOM 0 HG22 ILE A 625 0.180 4.018 -20.342 1.00 0.58 H new ATOM 0 HG23 ILE A 625 1.738 3.427 -20.966 1.00 0.58 H new ATOM 0 HD11 ILE A 625 0.735 -0.068 -23.323 1.00 0.76 H new ATOM 0 HD12 ILE A 625 -0.797 0.434 -22.568 1.00 0.76 H new ATOM 0 HD13 ILE A 625 0.303 1.656 -23.249 1.00 0.76 H new ATOM 844 N PHE A 626 1.379 3.597 -17.677 1.00 0.19 N ATOM 845 CA PHE A 626 1.100 4.710 -16.802 1.00 0.21 C ATOM 846 C PHE A 626 1.372 6.015 -17.529 1.00 0.22 C ATOM 847 O PHE A 626 2.189 6.073 -18.443 1.00 0.22 O ATOM 848 CB PHE A 626 1.958 4.618 -15.544 1.00 0.23 C ATOM 849 CG PHE A 626 2.223 5.933 -14.875 1.00 0.25 C ATOM 850 CD1 PHE A 626 1.237 6.572 -14.142 1.00 0.28 C ATOM 851 CD2 PHE A 626 3.466 6.530 -14.987 1.00 0.27 C ATOM 852 CE1 PHE A 626 1.490 7.785 -13.533 1.00 0.30 C ATOM 853 CE2 PHE A 626 3.725 7.739 -14.381 1.00 0.30 C ATOM 854 CZ PHE A 626 2.737 8.369 -13.653 1.00 0.30 C ATOM 0 H PHE A 626 2.368 3.453 -17.880 1.00 0.19 H new ATOM 0 HA PHE A 626 0.050 4.679 -16.510 1.00 0.21 H new ATOM 0 HB2 PHE A 626 1.467 3.955 -14.832 1.00 0.23 H new ATOM 0 HB3 PHE A 626 2.912 4.158 -15.803 1.00 0.23 H new ATOM 0 HD1 PHE A 626 0.262 6.118 -14.046 1.00 0.28 H new ATOM 0 HD2 PHE A 626 4.243 6.042 -15.557 1.00 0.27 H new ATOM 0 HE1 PHE A 626 0.715 8.277 -12.964 1.00 0.30 H new ATOM 0 HE2 PHE A 626 4.700 8.193 -14.475 1.00 0.30 H new ATOM 0 HZ PHE A 626 2.938 9.318 -13.177 1.00 0.30 H new ATOM 864 N LYS A 627 0.676 7.052 -17.121 1.00 0.23 N ATOM 865 CA LYS A 627 0.830 8.364 -17.737 1.00 0.26 C ATOM 866 C LYS A 627 1.375 9.372 -16.731 1.00 0.26 C ATOM 867 O LYS A 627 0.912 9.443 -15.594 1.00 0.27 O ATOM 868 CB LYS A 627 -0.499 8.823 -18.330 1.00 0.30 C ATOM 869 CG LYS A 627 -0.685 10.334 -18.390 1.00 0.49 C ATOM 870 CD LYS A 627 -2.088 10.704 -18.840 1.00 0.57 C ATOM 871 CE LYS A 627 -2.369 10.213 -20.251 1.00 0.58 C ATOM 872 NZ LYS A 627 -3.669 10.722 -20.768 1.00 0.91 N ATOM 0 H LYS A 627 -0.006 7.019 -16.363 1.00 0.23 H new ATOM 0 HA LYS A 627 1.554 8.292 -18.548 1.00 0.26 H new ATOM 0 HB2 LYS A 627 -0.589 8.420 -19.339 1.00 0.30 H new ATOM 0 HB3 LYS A 627 -1.310 8.394 -17.742 1.00 0.30 H new ATOM 0 HG2 LYS A 627 -0.491 10.765 -17.408 1.00 0.49 H new ATOM 0 HG3 LYS A 627 0.044 10.765 -19.076 1.00 0.49 H new ATOM 0 HD2 LYS A 627 -2.817 10.275 -18.152 1.00 0.57 H new ATOM 0 HD3 LYS A 627 -2.211 11.786 -18.799 1.00 0.57 H new ATOM 0 HE2 LYS A 627 -1.565 10.533 -20.913 1.00 0.58 H new ATOM 0 HE3 LYS A 627 -2.376 9.123 -20.261 1.00 0.58 H new ATOM 0 HZ1 LYS A 627 -3.622 10.807 -21.803 1.00 0.91 H new ATOM 0 HZ2 LYS A 627 -4.429 10.061 -20.509 1.00 0.91 H new ATOM 0 HZ3 LYS A 627 -3.866 11.655 -20.353 1.00 0.91 H new ATOM 886 N LYS A 628 2.372 10.138 -17.158 1.00 0.27 N ATOM 887 CA LYS A 628 2.998 11.131 -16.289 1.00 0.29 C ATOM 888 C LYS A 628 3.230 12.450 -17.010 1.00 0.31 C ATOM 889 O LYS A 628 3.302 12.495 -18.235 1.00 0.32 O ATOM 890 CB LYS A 628 4.312 10.609 -15.731 1.00 0.31 C ATOM 891 CG LYS A 628 4.458 10.837 -14.236 1.00 0.34 C ATOM 892 CD LYS A 628 5.479 11.924 -13.931 1.00 0.39 C ATOM 893 CE LYS A 628 5.784 11.999 -12.444 1.00 1.20 C ATOM 894 NZ LYS A 628 6.764 13.076 -12.132 1.00 1.80 N ATOM 0 H LYS A 628 2.765 10.092 -18.098 1.00 0.27 H new ATOM 0 HA LYS A 628 2.308 11.314 -15.466 1.00 0.29 H new ATOM 0 HB2 LYS A 628 4.390 9.542 -15.939 1.00 0.31 H new ATOM 0 HB3 LYS A 628 5.138 11.096 -16.249 1.00 0.31 H new ATOM 0 HG2 LYS A 628 3.492 11.116 -13.814 1.00 0.34 H new ATOM 0 HG3 LYS A 628 4.760 9.908 -13.754 1.00 0.34 H new ATOM 0 HD2 LYS A 628 6.398 11.727 -14.483 1.00 0.39 H new ATOM 0 HD3 LYS A 628 5.101 12.887 -14.275 1.00 0.39 H new ATOM 0 HE2 LYS A 628 4.861 12.177 -11.893 1.00 1.20 H new ATOM 0 HE3 LYS A 628 6.178 11.041 -12.105 1.00 1.20 H new ATOM 0 HZ1 LYS A 628 6.945 13.094 -11.108 1.00 1.80 H new ATOM 0 HZ2 LYS A 628 7.654 12.893 -12.638 1.00 1.80 H new ATOM 0 HZ3 LYS A 628 6.378 13.994 -12.432 1.00 1.80 H new ATOM 908 N ARG A 629 3.355 13.523 -16.238 1.00 0.33 N ATOM 909 CA ARG A 629 3.584 14.843 -16.804 1.00 0.36 C ATOM 910 C ARG A 629 5.049 14.997 -17.213 1.00 0.41 C ATOM 911 O ARG A 629 5.946 15.013 -16.371 1.00 0.45 O ATOM 912 CB ARG A 629 3.173 15.930 -15.794 1.00 0.38 C ATOM 913 CG ARG A 629 4.090 17.149 -15.750 1.00 0.58 C ATOM 914 CD ARG A 629 4.115 17.890 -17.078 1.00 0.96 C ATOM 915 NE ARG A 629 4.601 19.260 -16.930 1.00 1.12 N ATOM 916 CZ ARG A 629 3.939 20.216 -16.280 1.00 1.50 C ATOM 917 NH1 ARG A 629 2.763 19.956 -15.721 1.00 2.29 N ATOM 918 NH2 ARG A 629 4.454 21.434 -16.190 1.00 1.57 N ATOM 0 H ARG A 629 3.301 13.503 -15.220 1.00 0.33 H new ATOM 0 HA ARG A 629 2.971 14.959 -17.698 1.00 0.36 H new ATOM 0 HB2 ARG A 629 2.163 16.263 -16.032 1.00 0.38 H new ATOM 0 HB3 ARG A 629 3.136 15.486 -14.799 1.00 0.38 H new ATOM 0 HG2 ARG A 629 3.756 17.826 -14.963 1.00 0.58 H new ATOM 0 HG3 ARG A 629 5.101 16.833 -15.492 1.00 0.58 H new ATOM 0 HD2 ARG A 629 4.752 17.353 -17.781 1.00 0.96 H new ATOM 0 HD3 ARG A 629 3.112 17.905 -17.504 1.00 0.96 H new ATOM 0 HE ARG A 629 5.500 19.498 -17.349 1.00 1.12 H new ATOM 0 HH11 ARG A 629 2.362 19.020 -15.788 1.00 2.29 H new ATOM 0 HH12 ARG A 629 2.261 20.692 -15.225 1.00 2.29 H new ATOM 0 HH21 ARG A 629 5.357 21.639 -16.618 1.00 1.57 H new ATOM 0 HH22 ARG A 629 3.948 22.166 -15.692 1.00 1.57 H new ATOM 932 N HIS A 630 5.276 15.102 -18.519 1.00 0.44 N ATOM 933 CA HIS A 630 6.621 15.248 -19.062 1.00 0.50 C ATOM 934 C HIS A 630 7.263 16.555 -18.608 1.00 0.66 C ATOM 935 O HIS A 630 6.693 17.632 -18.781 1.00 0.81 O ATOM 936 CB HIS A 630 6.581 15.194 -20.580 1.00 0.57 C ATOM 937 CG HIS A 630 7.922 14.992 -21.212 1.00 0.59 C ATOM 938 ND1 HIS A 630 8.247 13.872 -21.949 1.00 0.78 N ATOM 939 CD2 HIS A 630 9.025 15.777 -21.218 1.00 0.77 C ATOM 940 CE1 HIS A 630 9.492 13.977 -22.379 1.00 0.97 C ATOM 941 NE2 HIS A 630 9.985 15.125 -21.950 1.00 0.99 N ATOM 0 H HIS A 630 4.540 15.088 -19.225 1.00 0.44 H new ATOM 0 HA HIS A 630 7.225 14.423 -18.686 1.00 0.50 H new ATOM 0 HB2 HIS A 630 5.919 14.385 -20.888 1.00 0.57 H new ATOM 0 HB3 HIS A 630 6.148 16.121 -20.956 1.00 0.57 H new ATOM 0 HD1 HIS A 630 7.624 13.086 -22.133 1.00 0.78 H new ATOM 0 HD2 HIS A 630 9.130 16.738 -20.736 1.00 0.77 H new ATOM 0 HE1 HIS A 630 10.017 13.248 -22.979 1.00 0.97 H new ATOM 1128 N LEU A 644 3.783 18.761 -20.216 1.00 0.54 N ATOM 1129 CA LEU A 644 2.500 18.148 -20.523 1.00 0.47 C ATOM 1130 C LEU A 644 2.486 16.691 -20.062 1.00 0.41 C ATOM 1131 O LEU A 644 3.168 16.352 -19.100 1.00 0.41 O ATOM 1132 CB LEU A 644 2.201 18.296 -22.018 1.00 0.45 C ATOM 1133 CG LEU A 644 1.913 19.739 -22.449 1.00 0.54 C ATOM 1134 CD1 LEU A 644 1.819 19.850 -23.958 1.00 1.13 C ATOM 1135 CD2 LEU A 644 0.634 20.242 -21.793 1.00 1.25 C ATOM 0 HA LEU A 644 1.705 18.659 -19.980 1.00 0.47 H new ATOM 0 HB2 LEU A 644 3.050 17.918 -22.588 1.00 0.45 H new ATOM 0 HB3 LEU A 644 1.344 17.672 -22.272 1.00 0.45 H new ATOM 0 HG LEU A 644 2.743 20.364 -22.119 1.00 0.54 H new ATOM 0 HD11 LEU A 644 1.614 20.884 -24.235 1.00 1.13 H new ATOM 0 HD12 LEU A 644 2.762 19.535 -24.405 1.00 1.13 H new ATOM 0 HD13 LEU A 644 1.014 19.211 -24.320 1.00 1.13 H new ATOM 0 HD21 LEU A 644 0.442 21.268 -22.108 1.00 1.25 H new ATOM 0 HD22 LEU A 644 -0.201 19.609 -22.091 1.00 1.25 H new ATOM 0 HD23 LEU A 644 0.744 20.210 -20.709 1.00 1.25 H new ATOM 1147 N ASP A 645 1.697 15.836 -20.705 1.00 0.44 N ATOM 1148 CA ASP A 645 1.607 14.434 -20.282 1.00 0.40 C ATOM 1149 C ASP A 645 2.305 13.467 -21.239 1.00 0.37 C ATOM 1150 O ASP A 645 2.334 13.670 -22.453 1.00 0.40 O ATOM 1151 CB ASP A 645 0.145 14.005 -20.100 1.00 0.41 C ATOM 1152 CG ASP A 645 -0.834 15.163 -20.198 1.00 0.71 C ATOM 1153 OD1 ASP A 645 -0.615 16.184 -19.512 1.00 1.03 O ATOM 1154 OD2 ASP A 645 -1.817 15.047 -20.959 1.00 1.52 O ATOM 0 H ASP A 645 1.118 16.079 -21.509 1.00 0.44 H new ATOM 0 HA ASP A 645 2.129 14.382 -19.327 1.00 0.40 H new ATOM 0 HB2 ASP A 645 -0.105 13.261 -20.856 1.00 0.41 H new ATOM 0 HB3 ASP A 645 0.032 13.523 -19.129 1.00 0.41 H new ATOM 1159 N ASP A 646 2.850 12.399 -20.656 1.00 0.33 N ATOM 1160 CA ASP A 646 3.541 11.351 -21.400 1.00 0.32 C ATOM 1161 C ASP A 646 3.058 9.982 -20.926 1.00 0.29 C ATOM 1162 O ASP A 646 2.743 9.807 -19.749 1.00 0.38 O ATOM 1163 CB ASP A 646 5.054 11.461 -21.202 1.00 0.35 C ATOM 1164 CG ASP A 646 5.834 11.019 -22.425 1.00 0.58 C ATOM 1165 OD1 ASP A 646 5.247 10.331 -23.286 1.00 1.29 O ATOM 1166 OD2 ASP A 646 7.031 11.362 -22.523 1.00 1.36 O ATOM 0 H ASP A 646 2.823 12.238 -19.649 1.00 0.33 H new ATOM 0 HA ASP A 646 3.319 11.470 -22.460 1.00 0.32 H new ATOM 0 HB2 ASP A 646 5.312 12.493 -20.964 1.00 0.35 H new ATOM 0 HB3 ASP A 646 5.350 10.853 -20.347 1.00 0.35 H new ATOM 1171 N ILE A 647 2.991 9.014 -21.836 1.00 0.29 N ATOM 1172 CA ILE A 647 2.532 7.677 -21.475 1.00 0.26 C ATOM 1173 C ILE A 647 3.677 6.682 -21.402 1.00 0.25 C ATOM 1174 O ILE A 647 4.345 6.397 -22.396 1.00 0.28 O ATOM 1175 CB ILE A 647 1.458 7.159 -22.443 1.00 0.27 C ATOM 1176 CG1 ILE A 647 1.886 7.373 -23.902 1.00 0.25 C ATOM 1177 CG2 ILE A 647 0.147 7.866 -22.152 1.00 0.35 C ATOM 1178 CD1 ILE A 647 1.418 6.277 -24.843 1.00 0.28 C ATOM 0 H ILE A 647 3.245 9.128 -22.817 1.00 0.29 H new ATOM 0 HA ILE A 647 2.090 7.768 -20.483 1.00 0.26 H new ATOM 0 HB ILE A 647 1.328 6.087 -22.297 1.00 0.27 H new ATOM 0 HG12 ILE A 647 1.495 8.329 -24.249 1.00 0.25 H new ATOM 0 HG13 ILE A 647 2.973 7.438 -23.947 1.00 0.25 H new ATOM 0 HG21 ILE A 647 -0.621 7.504 -22.835 1.00 0.35 H new ATOM 0 HG22 ILE A 647 -0.156 7.663 -21.125 1.00 0.35 H new ATOM 0 HG23 ILE A 647 0.275 8.940 -22.287 1.00 0.35 H new ATOM 0 HD11 ILE A 647 1.758 6.497 -25.855 1.00 0.28 H new ATOM 0 HD12 ILE A 647 1.830 5.321 -24.521 1.00 0.28 H new ATOM 0 HD13 ILE A 647 0.329 6.226 -24.829 1.00 0.28 H new ATOM 1190 N TRP A 648 3.891 6.168 -20.201 1.00 0.24 N ATOM 1191 CA TRP A 648 4.947 5.206 -19.939 1.00 0.24 C ATOM 1192 C TRP A 648 4.392 3.795 -19.786 1.00 0.23 C ATOM 1193 O TRP A 648 3.435 3.573 -19.049 1.00 0.21 O ATOM 1194 CB TRP A 648 5.680 5.587 -18.652 1.00 0.26 C ATOM 1195 CG TRP A 648 6.192 6.991 -18.645 1.00 0.27 C ATOM 1196 CD1 TRP A 648 5.526 8.119 -18.246 1.00 0.28 C ATOM 1197 CD2 TRP A 648 7.492 7.415 -19.054 1.00 0.31 C ATOM 1198 NE1 TRP A 648 6.336 9.219 -18.400 1.00 0.31 N ATOM 1199 CE2 TRP A 648 7.549 8.810 -18.891 1.00 0.33 C ATOM 1200 CE3 TRP A 648 8.612 6.743 -19.544 1.00 0.36 C ATOM 1201 CZ2 TRP A 648 8.686 9.546 -19.205 1.00 0.39 C ATOM 1202 CZ3 TRP A 648 9.740 7.474 -19.854 1.00 0.42 C ATOM 1203 CH2 TRP A 648 9.771 8.864 -19.684 1.00 0.43 C ATOM 0 H TRP A 648 3.336 6.407 -19.380 1.00 0.24 H new ATOM 0 HA TRP A 648 5.630 5.222 -20.789 1.00 0.24 H new ATOM 0 HB2 TRP A 648 5.005 5.451 -17.807 1.00 0.26 H new ATOM 0 HB3 TRP A 648 6.517 4.904 -18.505 1.00 0.26 H new ATOM 0 HD1 TRP A 648 4.515 8.141 -17.867 1.00 0.28 H new ATOM 0 HE1 TRP A 648 6.077 10.182 -18.184 1.00 0.31 H new ATOM 0 HE3 TRP A 648 8.596 5.671 -19.678 1.00 0.36 H new ATOM 0 HZ2 TRP A 648 8.712 10.618 -19.075 1.00 0.39 H new ATOM 0 HZ3 TRP A 648 10.614 6.966 -20.234 1.00 0.42 H new ATOM 0 HH2 TRP A 648 10.669 9.408 -19.936 1.00 0.43 H new ATOM 1214 N TYR A 649 5.028 2.835 -20.445 1.00 0.24 N ATOM 1215 CA TYR A 649 4.624 1.444 -20.333 1.00 0.23 C ATOM 1216 C TYR A 649 5.390 0.823 -19.176 1.00 0.23 C ATOM 1217 O TYR A 649 6.620 0.775 -19.194 1.00 0.26 O ATOM 1218 CB TYR A 649 4.903 0.692 -21.628 1.00 0.26 C ATOM 1219 CG TYR A 649 4.776 -0.812 -21.504 1.00 0.24 C ATOM 1220 CD1 TYR A 649 3.673 -1.387 -20.887 1.00 0.26 C ATOM 1221 CD2 TYR A 649 5.762 -1.654 -22.002 1.00 0.27 C ATOM 1222 CE1 TYR A 649 3.556 -2.759 -20.769 1.00 0.28 C ATOM 1223 CE2 TYR A 649 5.652 -3.027 -21.888 1.00 0.30 C ATOM 1224 CZ TYR A 649 4.548 -3.574 -21.271 1.00 0.29 C ATOM 1225 OH TYR A 649 4.433 -4.940 -21.156 1.00 0.34 O ATOM 0 H TYR A 649 5.825 2.996 -21.061 1.00 0.24 H new ATOM 0 HA TYR A 649 3.552 1.383 -20.148 1.00 0.23 H new ATOM 0 HB2 TYR A 649 4.214 1.043 -22.396 1.00 0.26 H new ATOM 0 HB3 TYR A 649 5.910 0.935 -21.968 1.00 0.26 H new ATOM 0 HD1 TYR A 649 2.894 -0.752 -20.493 1.00 0.26 H new ATOM 0 HD2 TYR A 649 6.629 -1.229 -22.486 1.00 0.27 H new ATOM 0 HE1 TYR A 649 2.692 -3.190 -20.286 1.00 0.28 H new ATOM 0 HE2 TYR A 649 6.428 -3.668 -22.281 1.00 0.30 H new ATOM 0 HH TYR A 649 3.611 -5.159 -20.669 1.00 0.34 H new ATOM 1235 N CYS A 650 4.672 0.386 -18.151 1.00 0.21 N ATOM 1236 CA CYS A 650 5.322 -0.184 -16.976 1.00 0.23 C ATOM 1237 C CYS A 650 5.065 -1.676 -16.840 1.00 0.21 C ATOM 1238 O CYS A 650 3.973 -2.095 -16.456 1.00 0.22 O ATOM 1239 CB CYS A 650 4.851 0.537 -15.712 1.00 0.25 C ATOM 1240 SG CYS A 650 6.182 0.959 -14.564 1.00 0.44 S ATOM 0 H CYS A 650 3.653 0.413 -18.107 1.00 0.21 H new ATOM 0 HA CYS A 650 6.395 -0.045 -17.104 1.00 0.23 H new ATOM 0 HB2 CYS A 650 4.331 1.451 -16.000 1.00 0.25 H new ATOM 0 HB3 CYS A 650 4.127 -0.093 -15.196 1.00 0.25 H new ATOM 0 HG CYS A 650 7.192 0.165 -14.760 1.00 0.44 H new ATOM 1246 N HIS A 651 6.082 -2.476 -17.139 1.00 0.23 N ATOM 1247 CA HIS A 651 5.956 -3.922 -17.025 1.00 0.21 C ATOM 1248 C HIS A 651 5.998 -4.358 -15.562 1.00 0.22 C ATOM 1249 O HIS A 651 6.875 -3.942 -14.801 1.00 0.25 O ATOM 1250 CB HIS A 651 7.061 -4.629 -17.805 1.00 0.22 C ATOM 1251 CG HIS A 651 6.856 -6.108 -17.896 1.00 0.21 C ATOM 1252 ND1 HIS A 651 6.128 -6.703 -18.904 1.00 0.22 N ATOM 1253 CD2 HIS A 651 7.280 -7.115 -17.095 1.00 0.22 C ATOM 1254 CE1 HIS A 651 6.114 -8.012 -18.722 1.00 0.22 C ATOM 1255 NE2 HIS A 651 6.807 -8.287 -17.633 1.00 0.21 N ATOM 0 H HIS A 651 6.994 -2.151 -17.459 1.00 0.23 H new ATOM 0 HA HIS A 651 4.992 -4.203 -17.449 1.00 0.21 H new ATOM 0 HB2 HIS A 651 7.112 -4.212 -18.811 1.00 0.22 H new ATOM 0 HB3 HIS A 651 8.020 -4.429 -17.328 1.00 0.22 H new ATOM 0 HD1 HIS A 651 5.671 -6.210 -19.671 1.00 0.22 H new ATOM 0 HD2 HIS A 651 7.878 -7.015 -16.201 1.00 0.22 H new ATOM 0 HE1 HIS A 651 5.620 -8.733 -19.356 1.00 0.22 H new ATOM 0 HE2 HIS A 651 6.966 -9.220 -17.252 1.00 0.21 H new ATOM 1264 N THR A 652 5.041 -5.201 -15.182 1.00 0.21 N ATOM 1265 CA THR A 652 4.947 -5.711 -13.816 1.00 0.23 C ATOM 1266 C THR A 652 4.891 -7.231 -13.791 1.00 0.23 C ATOM 1267 O THR A 652 4.685 -7.838 -12.741 1.00 0.26 O ATOM 1268 CB THR A 652 3.699 -5.175 -13.108 1.00 0.23 C ATOM 1269 OG1 THR A 652 2.860 -4.478 -14.034 1.00 0.22 O ATOM 1270 CG2 THR A 652 4.078 -4.251 -11.968 1.00 0.26 C ATOM 0 H THR A 652 4.313 -5.548 -15.807 1.00 0.21 H new ATOM 0 HA THR A 652 5.843 -5.369 -13.297 1.00 0.23 H new ATOM 0 HB THR A 652 3.154 -6.026 -12.701 1.00 0.23 H new ATOM 0 HG1 THR A 652 2.609 -3.609 -13.658 1.00 0.22 H new ATOM 0 HG21 THR A 652 3.174 -3.884 -11.481 1.00 0.26 H new ATOM 0 HG22 THR A 652 4.684 -4.796 -11.244 1.00 0.26 H new ATOM 0 HG23 THR A 652 4.649 -3.408 -12.357 1.00 0.26 H new ATOM 1278 N GLY A 653 5.061 -7.834 -14.951 1.00 0.21 N ATOM 1279 CA GLY A 653 5.020 -9.279 -15.061 1.00 0.22 C ATOM 1280 C GLY A 653 6.394 -9.910 -14.963 1.00 0.23 C ATOM 1281 O GLY A 653 7.392 -9.311 -15.361 1.00 0.26 O ATOM 0 H GLY A 653 5.229 -7.346 -15.831 1.00 0.21 H new ATOM 0 HA2 GLY A 653 4.382 -9.682 -14.274 1.00 0.22 H new ATOM 0 HA3 GLY A 653 4.565 -9.555 -16.012 1.00 0.22 H new ATOM 1285 N THR A 654 6.442 -11.123 -14.430 1.00 0.24 N ATOM 1286 CA THR A 654 7.697 -11.846 -14.273 1.00 0.26 C ATOM 1287 C THR A 654 8.182 -12.411 -15.607 1.00 0.26 C ATOM 1288 O THR A 654 9.375 -12.653 -15.793 1.00 0.28 O ATOM 1289 CB THR A 654 7.537 -13.004 -13.273 1.00 0.30 C ATOM 1290 OG1 THR A 654 7.070 -12.503 -12.014 1.00 0.33 O ATOM 1291 CG2 THR A 654 8.852 -13.745 -13.072 1.00 0.33 C ATOM 0 H THR A 654 5.622 -11.630 -14.097 1.00 0.24 H new ATOM 0 HA THR A 654 8.433 -11.135 -13.897 1.00 0.26 H new ATOM 0 HB THR A 654 6.808 -13.703 -13.682 1.00 0.30 H new ATOM 0 HG1 THR A 654 6.969 -13.246 -11.383 1.00 0.33 H new ATOM 0 HG21 THR A 654 8.707 -14.557 -12.360 1.00 0.33 H new ATOM 0 HG22 THR A 654 9.189 -14.153 -14.025 1.00 0.33 H new ATOM 0 HG23 THR A 654 9.603 -13.055 -12.687 1.00 0.33 H new ATOM 1299 N ASN A 655 7.245 -12.632 -16.523 1.00 0.26 N ATOM 1300 CA ASN A 655 7.566 -13.186 -17.837 1.00 0.28 C ATOM 1301 C ASN A 655 8.171 -12.149 -18.783 1.00 0.27 C ATOM 1302 O ASN A 655 8.426 -12.444 -19.949 1.00 0.29 O ATOM 1303 CB ASN A 655 6.326 -13.825 -18.466 1.00 0.32 C ATOM 1304 CG ASN A 655 6.224 -15.305 -18.155 1.00 0.82 C ATOM 1305 OD1 ASN A 655 5.039 -15.750 -17.751 1.00 1.83 O flip ATOM 1306 ND2 ASN A 655 7.202 -16.043 -18.277 1.00 0.49 N flip ATOM 0 H ASN A 655 6.254 -12.436 -16.381 1.00 0.26 H new ATOM 0 HA ASN A 655 8.325 -13.952 -17.680 1.00 0.28 H new ATOM 0 HB2 ASN A 655 5.433 -13.317 -18.102 1.00 0.32 H new ATOM 0 HB3 ASN A 655 6.355 -13.684 -19.546 1.00 0.32 H new ATOM 0 HD21 ASN A 655 8.094 -15.660 -18.590 1.00 0.49 H new ATOM 0 HD22 ASN A 655 7.120 -17.037 -18.065 1.00 0.49 H new ATOM 1313 N VAL A 656 8.402 -10.950 -18.265 1.00 0.24 N ATOM 1314 CA VAL A 656 8.988 -9.840 -19.030 1.00 0.26 C ATOM 1315 C VAL A 656 8.307 -9.627 -20.382 1.00 0.27 C ATOM 1316 O VAL A 656 7.898 -10.571 -21.056 1.00 0.35 O ATOM 1317 CB VAL A 656 10.518 -10.012 -19.237 1.00 0.30 C ATOM 1318 CG1 VAL A 656 10.875 -11.430 -19.659 1.00 0.82 C ATOM 1319 CG2 VAL A 656 11.053 -9.009 -20.253 1.00 0.98 C ATOM 0 H VAL A 656 8.189 -10.711 -17.296 1.00 0.24 H new ATOM 0 HA VAL A 656 8.816 -8.952 -18.422 1.00 0.26 H new ATOM 0 HB VAL A 656 10.992 -9.818 -18.275 1.00 0.30 H new ATOM 0 HG11 VAL A 656 11.954 -11.509 -19.793 1.00 0.82 H new ATOM 0 HG12 VAL A 656 10.553 -12.131 -18.889 1.00 0.82 H new ATOM 0 HG13 VAL A 656 10.374 -11.667 -20.598 1.00 0.82 H new ATOM 0 HG21 VAL A 656 12.126 -9.154 -20.377 1.00 0.98 H new ATOM 0 HG22 VAL A 656 10.554 -9.159 -21.210 1.00 0.98 H new ATOM 0 HG23 VAL A 656 10.862 -7.996 -19.899 1.00 0.98 H new ATOM 1329 N SER A 657 8.206 -8.360 -20.767 1.00 0.29 N ATOM 1330 CA SER A 657 7.598 -7.979 -22.036 1.00 0.30 C ATOM 1331 C SER A 657 8.645 -7.347 -22.948 1.00 0.33 C ATOM 1332 O SER A 657 9.730 -6.980 -22.498 1.00 0.34 O ATOM 1333 CB SER A 657 6.447 -6.999 -21.808 1.00 0.31 C ATOM 1334 OG SER A 657 6.906 -5.805 -21.197 1.00 1.16 O ATOM 0 H SER A 657 8.541 -7.572 -20.212 1.00 0.29 H new ATOM 0 HA SER A 657 7.202 -8.876 -22.512 1.00 0.30 H new ATOM 0 HB2 SER A 657 5.971 -6.764 -22.760 1.00 0.31 H new ATOM 0 HB3 SER A 657 5.688 -7.465 -21.179 1.00 0.31 H new ATOM 0 HG SER A 657 6.189 -5.137 -21.206 1.00 1.16 H new ATOM 1340 N TYR A 658 8.319 -7.221 -24.229 1.00 0.35 N ATOM 1341 CA TYR A 658 9.242 -6.631 -25.193 1.00 0.38 C ATOM 1342 C TYR A 658 8.614 -5.425 -25.882 1.00 0.39 C ATOM 1343 O TYR A 658 7.412 -5.401 -26.129 1.00 0.42 O ATOM 1344 CB TYR A 658 9.653 -7.671 -26.237 1.00 0.43 C ATOM 1345 CG TYR A 658 10.632 -8.699 -25.715 1.00 0.43 C ATOM 1346 CD1 TYR A 658 10.187 -9.823 -25.029 1.00 0.64 C ATOM 1347 CD2 TYR A 658 11.998 -8.546 -25.907 1.00 0.78 C ATOM 1348 CE1 TYR A 658 11.077 -10.764 -24.549 1.00 0.86 C ATOM 1349 CE2 TYR A 658 12.895 -9.483 -25.430 1.00 0.98 C ATOM 1350 CZ TYR A 658 12.430 -10.589 -24.752 1.00 0.92 C ATOM 1351 OH TYR A 658 13.319 -11.525 -24.276 1.00 1.22 O ATOM 0 H TYR A 658 7.427 -7.518 -24.624 1.00 0.35 H new ATOM 0 HA TYR A 658 10.127 -6.297 -24.652 1.00 0.38 H new ATOM 0 HB2 TYR A 658 8.761 -8.182 -26.599 1.00 0.43 H new ATOM 0 HB3 TYR A 658 10.097 -7.160 -27.092 1.00 0.43 H new ATOM 0 HD1 TYR A 658 9.128 -9.963 -24.869 1.00 0.64 H new ATOM 0 HD2 TYR A 658 12.366 -7.681 -26.438 1.00 0.78 H new ATOM 0 HE1 TYR A 658 10.715 -11.632 -24.018 1.00 0.86 H new ATOM 0 HE2 TYR A 658 13.955 -9.349 -25.588 1.00 0.98 H new ATOM 0 HH TYR A 658 14.233 -11.254 -24.503 1.00 1.22 H new ATOM 1361 N LEU A 659 9.433 -4.426 -26.190 1.00 0.41 N ATOM 1362 CA LEU A 659 8.943 -3.226 -26.857 1.00 0.43 C ATOM 1363 C LEU A 659 9.877 -2.805 -27.986 1.00 0.50 C ATOM 1364 O LEU A 659 10.918 -2.194 -27.747 1.00 0.48 O ATOM 1365 CB LEU A 659 8.781 -2.080 -25.854 1.00 0.44 C ATOM 1366 CG LEU A 659 8.214 -0.771 -26.425 1.00 0.68 C ATOM 1367 CD1 LEU A 659 7.292 -1.038 -27.605 1.00 1.29 C ATOM 1368 CD2 LEU A 659 7.472 0.004 -25.349 1.00 1.27 C ATOM 0 H LEU A 659 10.433 -4.423 -25.990 1.00 0.41 H new ATOM 0 HA LEU A 659 7.969 -3.459 -27.287 1.00 0.43 H new ATOM 0 HB2 LEU A 659 8.129 -2.416 -25.048 1.00 0.44 H new ATOM 0 HB3 LEU A 659 9.754 -1.870 -25.410 1.00 0.44 H new ATOM 0 HG LEU A 659 9.054 -0.172 -26.777 1.00 0.68 H new ATOM 0 HD11 LEU A 659 6.907 -0.093 -27.987 1.00 1.29 H new ATOM 0 HD12 LEU A 659 7.847 -1.548 -28.392 1.00 1.29 H new ATOM 0 HD13 LEU A 659 6.461 -1.665 -27.283 1.00 1.29 H new ATOM 0 HD21 LEU A 659 7.078 0.928 -25.772 1.00 1.27 H new ATOM 0 HD22 LEU A 659 6.649 -0.600 -24.967 1.00 1.27 H new ATOM 0 HD23 LEU A 659 8.156 0.241 -24.534 1.00 1.27 H new ATOM 1380 N ASN A 660 9.495 -3.137 -29.216 1.00 0.63 N ATOM 1381 CA ASN A 660 10.297 -2.797 -30.386 1.00 0.73 C ATOM 1382 C ASN A 660 11.656 -3.489 -30.328 1.00 0.70 C ATOM 1383 O ASN A 660 11.870 -4.512 -30.979 1.00 0.75 O ATOM 1384 CB ASN A 660 10.479 -1.279 -30.483 1.00 0.78 C ATOM 1385 CG ASN A 660 9.796 -0.691 -31.703 1.00 1.23 C ATOM 1386 OD1 ASN A 660 8.928 0.174 -31.586 1.00 2.15 O ATOM 1387 ND2 ASN A 660 10.187 -1.158 -32.883 1.00 1.47 N ATOM 0 H ASN A 660 8.634 -3.642 -29.428 1.00 0.63 H new ATOM 0 HA ASN A 660 9.771 -3.145 -31.275 1.00 0.73 H new ATOM 0 HB2 ASN A 660 10.078 -0.810 -29.584 1.00 0.78 H new ATOM 0 HB3 ASN A 660 11.543 -1.045 -30.518 1.00 0.78 H new ATOM 0 HD21 ASN A 660 9.764 -0.799 -33.739 1.00 1.47 H new ATOM 0 HD22 ASN A 660 10.910 -1.875 -32.933 1.00 1.47 H new ATOM 1394 N ASN A 661 12.571 -2.925 -29.546 1.00 0.65 N ATOM 1395 CA ASN A 661 13.907 -3.490 -29.405 1.00 0.62 C ATOM 1396 C ASN A 661 14.443 -3.302 -27.986 1.00 0.50 C ATOM 1397 O ASN A 661 15.644 -3.425 -27.751 1.00 0.44 O ATOM 1398 CB ASN A 661 14.862 -2.846 -30.410 1.00 0.74 C ATOM 1399 CG ASN A 661 14.791 -3.501 -31.776 1.00 1.64 C ATOM 1400 OD1 ASN A 661 14.350 -4.643 -31.907 1.00 2.42 O ATOM 1401 ND2 ASN A 661 15.226 -2.779 -32.802 1.00 2.32 N ATOM 0 H ASN A 661 12.411 -2.078 -29.001 1.00 0.65 H new ATOM 0 HA ASN A 661 13.840 -4.559 -29.605 1.00 0.62 H new ATOM 0 HB2 ASN A 661 14.625 -1.786 -30.505 1.00 0.74 H new ATOM 0 HB3 ASN A 661 15.882 -2.911 -30.031 1.00 0.74 H new ATOM 0 HD21 ASN A 661 15.203 -3.167 -33.745 1.00 2.32 H new ATOM 0 HD22 ASN A 661 15.583 -1.836 -32.647 1.00 2.32 H new ATOM 1408 N ASN A 662 13.551 -3.004 -27.042 1.00 0.51 N ATOM 1409 CA ASN A 662 13.953 -2.803 -25.655 1.00 0.43 C ATOM 1410 C ASN A 662 13.315 -3.845 -24.742 1.00 0.38 C ATOM 1411 O ASN A 662 12.152 -4.212 -24.916 1.00 0.47 O ATOM 1412 CB ASN A 662 13.570 -1.396 -25.190 1.00 0.52 C ATOM 1413 CG ASN A 662 14.717 -0.413 -25.324 1.00 0.98 C ATOM 1414 OD1 ASN A 662 15.523 -0.297 -24.276 1.00 1.90 O flip ATOM 1415 ND2 ASN A 662 14.877 0.232 -26.360 1.00 1.26 N flip ATOM 0 H ASN A 662 12.551 -2.897 -27.213 1.00 0.51 H new ATOM 0 HA ASN A 662 15.036 -2.916 -25.599 1.00 0.43 H new ATOM 0 HB2 ASN A 662 12.721 -1.041 -25.774 1.00 0.52 H new ATOM 0 HB3 ASN A 662 13.248 -1.435 -24.150 1.00 0.52 H new ATOM 0 HD21 ASN A 662 14.232 0.111 -27.141 1.00 1.26 H new ATOM 0 HD22 ASN A 662 15.654 0.888 -26.438 1.00 1.26 H new ATOM 1422 N ARG A 663 14.084 -4.315 -23.764 1.00 0.33 N ATOM 1423 CA ARG A 663 13.596 -5.311 -22.817 1.00 0.34 C ATOM 1424 C ARG A 663 13.223 -4.648 -21.497 1.00 0.36 C ATOM 1425 O ARG A 663 13.903 -3.730 -21.041 1.00 0.50 O ATOM 1426 CB ARG A 663 14.659 -6.387 -22.581 1.00 0.51 C ATOM 1427 CG ARG A 663 14.083 -7.733 -22.175 1.00 0.80 C ATOM 1428 CD ARG A 663 15.145 -8.821 -22.192 1.00 0.93 C ATOM 1429 NE ARG A 663 15.689 -9.075 -20.861 1.00 1.50 N ATOM 1430 CZ ARG A 663 16.829 -9.726 -20.638 1.00 1.96 C ATOM 1431 NH1 ARG A 663 17.546 -10.190 -21.654 1.00 2.26 N ATOM 1432 NH2 ARG A 663 17.252 -9.916 -19.396 1.00 2.64 N ATOM 0 H ARG A 663 15.048 -4.022 -23.607 1.00 0.33 H new ATOM 0 HA ARG A 663 12.707 -5.782 -23.238 1.00 0.34 H new ATOM 0 HB2 ARG A 663 15.246 -6.512 -23.491 1.00 0.51 H new ATOM 0 HB3 ARG A 663 15.344 -6.045 -21.805 1.00 0.51 H new ATOM 0 HG2 ARG A 663 13.652 -7.659 -21.177 1.00 0.80 H new ATOM 0 HG3 ARG A 663 13.273 -8.003 -22.853 1.00 0.80 H new ATOM 0 HD2 ARG A 663 14.716 -9.741 -22.590 1.00 0.93 H new ATOM 0 HD3 ARG A 663 15.952 -8.529 -22.864 1.00 0.93 H new ATOM 0 HE ARG A 663 15.165 -8.734 -20.055 1.00 1.50 H new ATOM 0 HH11 ARG A 663 17.225 -10.049 -22.612 1.00 2.26 H new ATOM 0 HH12 ARG A 663 18.418 -10.688 -21.477 1.00 2.26 H new ATOM 0 HH21 ARG A 663 16.704 -9.564 -18.611 1.00 2.64 H new ATOM 0 HH22 ARG A 663 18.125 -10.415 -19.225 1.00 2.64 H new ATOM 1446 N MET A 664 12.134 -5.108 -20.888 1.00 0.39 N ATOM 1447 CA MET A 664 11.681 -4.540 -19.626 1.00 0.52 C ATOM 1448 C MET A 664 11.185 -5.624 -18.680 1.00 0.42 C ATOM 1449 O MET A 664 10.220 -6.327 -18.975 1.00 0.44 O ATOM 1450 CB MET A 664 10.572 -3.514 -19.872 1.00 0.77 C ATOM 1451 CG MET A 664 9.569 -3.936 -20.933 1.00 0.70 C ATOM 1452 SD MET A 664 8.795 -2.528 -21.744 1.00 0.98 S ATOM 1453 CE MET A 664 8.325 -1.543 -20.324 1.00 0.42 C ATOM 0 H MET A 664 11.554 -5.867 -21.246 1.00 0.39 H new ATOM 0 HA MET A 664 12.531 -4.043 -19.159 1.00 0.52 H new ATOM 0 HB2 MET A 664 10.043 -3.334 -18.936 1.00 0.77 H new ATOM 0 HB3 MET A 664 11.025 -2.568 -20.169 1.00 0.77 H new ATOM 0 HG2 MET A 664 10.071 -4.551 -21.680 1.00 0.70 H new ATOM 0 HG3 MET A 664 8.799 -4.556 -20.475 1.00 0.70 H new ATOM 0 HE1 MET A 664 7.694 -0.716 -20.648 1.00 0.42 H new ATOM 0 HE2 MET A 664 7.775 -2.164 -19.617 1.00 0.42 H new ATOM 0 HE3 MET A 664 9.220 -1.149 -19.842 1.00 0.42 H new ATOM 1463 N ILE A 665 11.849 -5.748 -17.537 1.00 0.40 N ATOM 1464 CA ILE A 665 11.475 -6.741 -16.541 1.00 0.37 C ATOM 1465 C ILE A 665 10.416 -6.190 -15.597 1.00 0.31 C ATOM 1466 O ILE A 665 10.184 -4.983 -15.548 1.00 0.35 O ATOM 1467 CB ILE A 665 12.695 -7.197 -15.717 1.00 0.46 C ATOM 1468 CG1 ILE A 665 13.278 -6.019 -14.932 1.00 0.53 C ATOM 1469 CG2 ILE A 665 13.749 -7.811 -16.626 1.00 0.52 C ATOM 1470 CD1 ILE A 665 14.460 -6.397 -14.066 1.00 0.64 C ATOM 0 H ILE A 665 12.650 -5.172 -17.278 1.00 0.40 H new ATOM 0 HA ILE A 665 11.071 -7.598 -17.080 1.00 0.37 H new ATOM 0 HB ILE A 665 12.371 -7.957 -15.006 1.00 0.46 H new ATOM 0 HG12 ILE A 665 13.584 -5.242 -15.632 1.00 0.53 H new ATOM 0 HG13 ILE A 665 12.498 -5.591 -14.302 1.00 0.53 H new ATOM 0 HG21 ILE A 665 14.604 -8.128 -16.029 1.00 0.52 H new ATOM 0 HG22 ILE A 665 13.327 -8.673 -17.142 1.00 0.52 H new ATOM 0 HG23 ILE A 665 14.072 -7.072 -17.359 1.00 0.52 H new ATOM 0 HD11 ILE A 665 14.822 -5.514 -13.539 1.00 0.64 H new ATOM 0 HD12 ILE A 665 14.154 -7.152 -13.342 1.00 0.64 H new ATOM 0 HD13 ILE A 665 15.257 -6.798 -14.693 1.00 0.64 H new ATOM 1482 N GLN A 666 9.777 -7.077 -14.846 1.00 0.26 N ATOM 1483 CA GLN A 666 8.746 -6.670 -13.903 1.00 0.24 C ATOM 1484 C GLN A 666 9.301 -5.645 -12.912 1.00 0.29 C ATOM 1485 O GLN A 666 10.061 -5.984 -12.005 1.00 0.34 O ATOM 1486 CB GLN A 666 8.180 -7.905 -13.183 1.00 0.25 C ATOM 1487 CG GLN A 666 8.169 -7.803 -11.668 1.00 0.42 C ATOM 1488 CD GLN A 666 7.398 -8.923 -10.995 1.00 0.45 C ATOM 1489 OE1 GLN A 666 7.801 -9.424 -9.945 1.00 0.82 O ATOM 1490 NE2 GLN A 666 6.284 -9.325 -11.595 1.00 0.29 N ATOM 0 H GLN A 666 9.955 -8.081 -14.872 1.00 0.26 H new ATOM 0 HA GLN A 666 7.931 -6.191 -14.446 1.00 0.24 H new ATOM 0 HB2 GLN A 666 7.161 -8.076 -13.530 1.00 0.25 H new ATOM 0 HB3 GLN A 666 8.766 -8.778 -13.471 1.00 0.25 H new ATOM 0 HG2 GLN A 666 9.196 -7.809 -11.303 1.00 0.42 H new ATOM 0 HG3 GLN A 666 7.733 -6.847 -11.379 1.00 0.42 H new ATOM 0 HE21 GLN A 666 5.985 -8.883 -12.464 1.00 0.29 H new ATOM 0 HE22 GLN A 666 5.727 -10.076 -11.187 1.00 0.29 H new ATOM 1499 N GLY A 667 8.932 -4.384 -13.108 1.00 0.30 N ATOM 1500 CA GLY A 667 9.411 -3.329 -12.242 1.00 0.37 C ATOM 1501 C GLY A 667 10.132 -2.258 -13.024 1.00 0.38 C ATOM 1502 O GLY A 667 10.964 -1.530 -12.483 1.00 0.44 O ATOM 0 H GLY A 667 8.308 -4.076 -13.854 1.00 0.30 H new ATOM 0 HA2 GLY A 667 8.571 -2.887 -11.706 1.00 0.37 H new ATOM 0 HA3 GLY A 667 10.082 -3.748 -11.492 1.00 0.37 H new ATOM 1506 N THR A 668 9.813 -2.168 -14.311 1.00 0.34 N ATOM 1507 CA THR A 668 10.435 -1.192 -15.183 1.00 0.36 C ATOM 1508 C THR A 668 9.397 -0.295 -15.842 1.00 0.34 C ATOM 1509 O THR A 668 8.219 -0.639 -15.941 1.00 0.33 O ATOM 1510 CB THR A 668 11.271 -1.875 -16.279 1.00 0.37 C ATOM 1511 OG1 THR A 668 10.526 -2.947 -16.865 1.00 0.33 O ATOM 1512 CG2 THR A 668 12.576 -2.410 -15.709 1.00 0.44 C ATOM 0 H THR A 668 9.124 -2.764 -14.770 1.00 0.34 H new ATOM 0 HA THR A 668 11.089 -0.584 -14.557 1.00 0.36 H new ATOM 0 HB THR A 668 11.504 -1.134 -17.044 1.00 0.37 H new ATOM 0 HG1 THR A 668 10.789 -3.794 -16.448 1.00 0.33 H new ATOM 0 HG21 THR A 668 13.150 -2.889 -16.502 1.00 0.44 H new ATOM 0 HG22 THR A 668 13.154 -1.587 -15.289 1.00 0.44 H new ATOM 0 HG23 THR A 668 12.360 -3.138 -14.927 1.00 0.44 H new ATOM 1520 N LYS A 669 9.866 0.850 -16.300 1.00 0.35 N ATOM 1521 CA LYS A 669 9.030 1.832 -16.977 1.00 0.33 C ATOM 1522 C LYS A 669 9.608 2.114 -18.356 1.00 0.34 C ATOM 1523 O LYS A 669 10.825 2.074 -18.539 1.00 0.39 O ATOM 1524 CB LYS A 669 8.953 3.124 -16.160 1.00 0.36 C ATOM 1525 CG LYS A 669 7.868 4.078 -16.629 1.00 0.35 C ATOM 1526 CD LYS A 669 7.551 5.124 -15.572 1.00 0.43 C ATOM 1527 CE LYS A 669 8.358 6.395 -15.782 1.00 0.53 C ATOM 1528 NZ LYS A 669 9.279 6.662 -14.642 1.00 0.82 N ATOM 0 H LYS A 669 10.843 1.130 -16.214 1.00 0.35 H new ATOM 0 HA LYS A 669 8.020 1.435 -17.080 1.00 0.33 H new ATOM 0 HB2 LYS A 669 8.776 2.872 -15.114 1.00 0.36 H new ATOM 0 HB3 LYS A 669 9.916 3.632 -16.207 1.00 0.36 H new ATOM 0 HG2 LYS A 669 8.188 4.572 -17.547 1.00 0.35 H new ATOM 0 HG3 LYS A 669 6.966 3.515 -16.868 1.00 0.35 H new ATOM 0 HD2 LYS A 669 6.487 5.359 -15.600 1.00 0.43 H new ATOM 0 HD3 LYS A 669 7.762 4.718 -14.583 1.00 0.43 H new ATOM 0 HE2 LYS A 669 8.935 6.311 -16.703 1.00 0.53 H new ATOM 0 HE3 LYS A 669 7.680 7.239 -15.907 1.00 0.53 H new ATOM 0 HZ1 LYS A 669 9.811 7.537 -14.823 1.00 0.82 H new ATOM 0 HZ2 LYS A 669 8.727 6.768 -13.767 1.00 0.82 H new ATOM 0 HZ3 LYS A 669 9.943 5.868 -14.539 1.00 0.82 H new ATOM 1542 N PHE A 670 8.748 2.365 -19.337 1.00 0.34 N ATOM 1543 CA PHE A 670 9.228 2.605 -20.691 1.00 0.36 C ATOM 1544 C PHE A 670 8.353 3.592 -21.465 1.00 0.38 C ATOM 1545 O PHE A 670 7.138 3.613 -21.312 1.00 0.42 O ATOM 1546 CB PHE A 670 9.313 1.277 -21.443 1.00 0.35 C ATOM 1547 CG PHE A 670 10.259 1.302 -22.604 1.00 0.36 C ATOM 1548 CD1 PHE A 670 11.315 2.197 -22.633 1.00 0.78 C ATOM 1549 CD2 PHE A 670 10.087 0.437 -23.671 1.00 0.71 C ATOM 1550 CE1 PHE A 670 12.180 2.232 -23.703 1.00 0.80 C ATOM 1551 CE2 PHE A 670 10.954 0.466 -24.747 1.00 0.72 C ATOM 1552 CZ PHE A 670 12.003 1.367 -24.760 1.00 0.41 C ATOM 0 H PHE A 670 7.735 2.407 -19.224 1.00 0.34 H new ATOM 0 HA PHE A 670 10.216 3.058 -20.611 1.00 0.36 H new ATOM 0 HB2 PHE A 670 9.624 0.496 -20.749 1.00 0.35 H new ATOM 0 HB3 PHE A 670 8.319 1.008 -21.801 1.00 0.35 H new ATOM 0 HD1 PHE A 670 11.462 2.876 -21.806 1.00 0.78 H new ATOM 0 HD2 PHE A 670 9.268 -0.267 -23.663 1.00 0.71 H new ATOM 0 HE1 PHE A 670 12.997 2.938 -23.714 1.00 0.80 H new ATOM 0 HE2 PHE A 670 10.813 -0.213 -25.575 1.00 0.72 H new ATOM 0 HZ PHE A 670 12.683 1.392 -25.599 1.00 0.41 H new ATOM 1562 N LEU A 671 8.992 4.406 -22.305 1.00 0.41 N ATOM 1563 CA LEU A 671 8.277 5.393 -23.114 1.00 0.45 C ATOM 1564 C LEU A 671 7.504 4.716 -24.242 1.00 0.43 C ATOM 1565 O LEU A 671 8.025 3.826 -24.914 1.00 0.44 O ATOM 1566 CB LEU A 671 9.260 6.407 -23.723 1.00 0.56 C ATOM 1567 CG LEU A 671 8.866 7.897 -23.633 1.00 0.64 C ATOM 1568 CD1 LEU A 671 7.399 8.088 -23.268 1.00 1.09 C ATOM 1569 CD2 LEU A 671 9.745 8.624 -22.634 1.00 1.50 C ATOM 0 H LEU A 671 10.003 4.402 -22.443 1.00 0.41 H new ATOM 0 HA LEU A 671 7.577 5.910 -22.458 1.00 0.45 H new ATOM 0 HB2 LEU A 671 10.226 6.281 -23.233 1.00 0.56 H new ATOM 0 HB3 LEU A 671 9.400 6.155 -24.774 1.00 0.56 H new ATOM 0 HG LEU A 671 9.017 8.323 -24.625 1.00 0.64 H new ATOM 0 HD11 LEU A 671 7.172 9.153 -23.217 1.00 1.09 H new ATOM 0 HD12 LEU A 671 6.771 7.619 -24.026 1.00 1.09 H new ATOM 0 HD13 LEU A 671 7.202 7.629 -22.299 1.00 1.09 H new ATOM 0 HD21 LEU A 671 9.451 9.672 -22.586 1.00 1.50 H new ATOM 0 HD22 LEU A 671 9.630 8.169 -21.650 1.00 1.50 H new ATOM 0 HD23 LEU A 671 10.787 8.554 -22.947 1.00 1.50 H new ATOM 1581 N LEU A 672 6.270 5.154 -24.455 1.00 0.42 N ATOM 1582 CA LEU A 672 5.441 4.599 -25.519 1.00 0.42 C ATOM 1583 C LEU A 672 5.231 5.624 -26.631 1.00 0.46 C ATOM 1584 O LEU A 672 4.421 6.542 -26.504 1.00 0.63 O ATOM 1585 CB LEU A 672 4.091 4.133 -24.967 1.00 0.38 C ATOM 1586 CG LEU A 672 4.125 2.863 -24.104 1.00 0.36 C ATOM 1587 CD1 LEU A 672 2.827 2.089 -24.254 1.00 0.33 C ATOM 1588 CD2 LEU A 672 5.308 1.975 -24.468 1.00 0.44 C ATOM 0 H LEU A 672 5.822 5.889 -23.908 1.00 0.42 H new ATOM 0 HA LEU A 672 5.961 3.737 -25.936 1.00 0.42 H new ATOM 0 HB2 LEU A 672 3.664 4.941 -24.374 1.00 0.38 H new ATOM 0 HB3 LEU A 672 3.416 3.962 -25.806 1.00 0.38 H new ATOM 0 HG LEU A 672 4.241 3.170 -23.065 1.00 0.36 H new ATOM 0 HD11 LEU A 672 2.865 1.191 -23.637 1.00 0.33 H new ATOM 0 HD12 LEU A 672 1.992 2.713 -23.935 1.00 0.33 H new ATOM 0 HD13 LEU A 672 2.691 1.806 -25.298 1.00 0.33 H new ATOM 0 HD21 LEU A 672 5.302 1.085 -23.839 1.00 0.44 H new ATOM 0 HD22 LEU A 672 5.233 1.680 -25.515 1.00 0.44 H new ATOM 0 HD23 LEU A 672 6.237 2.524 -24.312 1.00 0.44 H new ATOM 1600 N GLN A 673 5.974 5.453 -27.719 1.00 0.41 N ATOM 1601 CA GLN A 673 5.893 6.349 -28.867 1.00 0.44 C ATOM 1602 C GLN A 673 4.716 5.983 -29.763 1.00 0.39 C ATOM 1603 O GLN A 673 4.358 4.811 -29.886 1.00 0.42 O ATOM 1604 CB GLN A 673 7.197 6.282 -29.662 1.00 0.52 C ATOM 1605 CG GLN A 673 8.430 6.503 -28.803 1.00 0.50 C ATOM 1606 CD GLN A 673 9.551 7.188 -29.549 1.00 0.45 C ATOM 1607 OE1 GLN A 673 9.774 6.937 -30.733 1.00 0.52 O ATOM 1608 NE2 GLN A 673 10.269 8.058 -28.853 1.00 0.54 N ATOM 0 H GLN A 673 6.646 4.694 -27.830 1.00 0.41 H new ATOM 0 HA GLN A 673 5.739 7.365 -28.504 1.00 0.44 H new ATOM 0 HB2 GLN A 673 7.270 5.309 -30.148 1.00 0.52 H new ATOM 0 HB3 GLN A 673 7.173 7.032 -30.452 1.00 0.52 H new ATOM 0 HG2 GLN A 673 8.159 7.103 -27.934 1.00 0.50 H new ATOM 0 HG3 GLN A 673 8.783 5.542 -28.429 1.00 0.50 H new ATOM 0 HE21 GLN A 673 10.047 8.234 -27.873 1.00 0.54 H new ATOM 0 HE22 GLN A 673 11.043 8.551 -29.297 1.00 0.54 H new ATOM 1617 N ASP A 674 4.118 6.991 -30.389 1.00 0.46 N ATOM 1618 CA ASP A 674 2.980 6.776 -31.276 1.00 0.43 C ATOM 1619 C ASP A 674 3.270 5.655 -32.269 1.00 0.40 C ATOM 1620 O ASP A 674 4.248 5.707 -33.014 1.00 0.51 O ATOM 1621 CB ASP A 674 2.631 8.072 -32.016 1.00 0.54 C ATOM 1622 CG ASP A 674 3.655 8.445 -33.073 1.00 0.68 C ATOM 1623 OD1 ASP A 674 3.669 7.798 -34.141 1.00 1.23 O ATOM 1624 OD2 ASP A 674 4.436 9.390 -32.837 1.00 1.41 O ATOM 0 H ASP A 674 4.403 7.966 -30.298 1.00 0.46 H new ATOM 0 HA ASP A 674 2.124 6.479 -30.670 1.00 0.43 H new ATOM 0 HB2 ASP A 674 1.654 7.963 -32.487 1.00 0.54 H new ATOM 0 HB3 ASP A 674 2.549 8.885 -31.295 1.00 0.54 H new ATOM 1629 N GLY A 675 2.425 4.631 -32.258 1.00 0.33 N ATOM 1630 CA GLY A 675 2.621 3.505 -33.148 1.00 0.35 C ATOM 1631 C GLY A 675 3.672 2.557 -32.615 1.00 0.36 C ATOM 1632 O GLY A 675 4.466 2.001 -33.372 1.00 0.43 O ATOM 0 H GLY A 675 1.609 4.561 -31.649 1.00 0.33 H new ATOM 0 HA2 GLY A 675 1.679 2.972 -33.276 1.00 0.35 H new ATOM 0 HA3 GLY A 675 2.919 3.865 -34.133 1.00 0.35 H new ATOM 1636 N ASP A 676 3.674 2.382 -31.298 1.00 0.31 N ATOM 1637 CA ASP A 676 4.632 1.504 -30.641 1.00 0.34 C ATOM 1638 C ASP A 676 4.041 0.119 -30.440 1.00 0.30 C ATOM 1639 O ASP A 676 3.014 -0.038 -29.780 1.00 0.30 O ATOM 1640 CB ASP A 676 5.049 2.095 -29.293 1.00 0.37 C ATOM 1641 CG ASP A 676 6.364 2.846 -29.373 1.00 0.55 C ATOM 1642 OD1 ASP A 676 6.805 3.152 -30.501 1.00 1.23 O ATOM 1643 OD2 ASP A 676 6.952 3.127 -28.308 1.00 1.31 O ATOM 0 H ASP A 676 3.019 2.839 -30.663 1.00 0.31 H new ATOM 0 HA ASP A 676 5.511 1.416 -31.279 1.00 0.34 H new ATOM 0 HB2 ASP A 676 4.270 2.769 -28.938 1.00 0.37 H new ATOM 0 HB3 ASP A 676 5.135 1.294 -28.559 1.00 0.37 H new ATOM 1648 N GLU A 677 4.695 -0.887 -31.005 1.00 0.28 N ATOM 1649 CA GLU A 677 4.225 -2.254 -30.871 1.00 0.26 C ATOM 1650 C GLU A 677 4.958 -2.952 -29.731 1.00 0.25 C ATOM 1651 O GLU A 677 6.171 -3.155 -29.794 1.00 0.28 O ATOM 1652 CB GLU A 677 4.414 -3.025 -32.180 1.00 0.29 C ATOM 1653 CG GLU A 677 3.152 -3.715 -32.668 1.00 1.05 C ATOM 1654 CD GLU A 677 3.445 -4.972 -33.463 1.00 1.76 C ATOM 1655 OE1 GLU A 677 3.743 -6.012 -32.841 1.00 2.43 O ATOM 1656 OE2 GLU A 677 3.376 -4.915 -34.709 1.00 2.43 O ATOM 0 H GLU A 677 5.547 -0.781 -31.556 1.00 0.28 H new ATOM 0 HA GLU A 677 3.160 -2.231 -30.642 1.00 0.26 H new ATOM 0 HB2 GLU A 677 4.762 -2.337 -32.950 1.00 0.29 H new ATOM 0 HB3 GLU A 677 5.196 -3.772 -32.042 1.00 0.29 H new ATOM 0 HG2 GLU A 677 2.527 -3.969 -31.812 1.00 1.05 H new ATOM 0 HG3 GLU A 677 2.580 -3.023 -33.287 1.00 1.05 H new ATOM 1663 N ILE A 678 4.221 -3.297 -28.681 1.00 0.25 N ATOM 1664 CA ILE A 678 4.810 -3.948 -27.519 1.00 0.28 C ATOM 1665 C ILE A 678 4.470 -5.433 -27.467 1.00 0.27 C ATOM 1666 O ILE A 678 3.301 -5.818 -27.484 1.00 0.32 O ATOM 1667 CB ILE A 678 4.346 -3.274 -26.208 1.00 0.33 C ATOM 1668 CG1 ILE A 678 2.848 -3.503 -25.979 1.00 1.20 C ATOM 1669 CG2 ILE A 678 4.659 -1.784 -26.242 1.00 1.34 C ATOM 1670 CD1 ILE A 678 2.314 -2.824 -24.735 1.00 1.17 C ATOM 0 H ILE A 678 3.216 -3.137 -28.612 1.00 0.25 H new ATOM 0 HA ILE A 678 5.890 -3.842 -27.617 1.00 0.28 H new ATOM 0 HB ILE A 678 4.889 -3.726 -25.378 1.00 0.33 H new ATOM 0 HG12 ILE A 678 2.297 -3.140 -26.846 1.00 1.20 H new ATOM 0 HG13 ILE A 678 2.659 -4.574 -25.907 1.00 1.20 H new ATOM 0 HG21 ILE A 678 4.327 -1.321 -25.313 1.00 1.34 H new ATOM 0 HG22 ILE A 678 5.734 -1.640 -26.355 1.00 1.34 H new ATOM 0 HG23 ILE A 678 4.141 -1.322 -27.082 1.00 1.34 H new ATOM 0 HD11 ILE A 678 1.248 -3.030 -24.637 1.00 1.17 H new ATOM 0 HD12 ILE A 678 2.839 -3.205 -23.859 1.00 1.17 H new ATOM 0 HD13 ILE A 678 2.470 -1.748 -24.812 1.00 1.17 H new ATOM 1682 N LYS A 679 5.506 -6.260 -27.382 1.00 0.27 N ATOM 1683 CA LYS A 679 5.331 -7.703 -27.297 1.00 0.29 C ATOM 1684 C LYS A 679 5.181 -8.115 -25.842 1.00 0.31 C ATOM 1685 O LYS A 679 6.091 -7.937 -25.038 1.00 0.36 O ATOM 1686 CB LYS A 679 6.522 -8.426 -27.933 1.00 0.35 C ATOM 1687 CG LYS A 679 6.273 -8.865 -29.367 1.00 0.72 C ATOM 1688 CD LYS A 679 7.347 -8.343 -30.307 1.00 0.90 C ATOM 1689 CE LYS A 679 7.583 -9.294 -31.469 1.00 1.38 C ATOM 1690 NZ LYS A 679 8.904 -9.065 -32.116 1.00 2.04 N ATOM 0 H LYS A 679 6.479 -5.953 -27.370 1.00 0.27 H new ATOM 0 HA LYS A 679 4.430 -7.983 -27.843 1.00 0.29 H new ATOM 0 HB2 LYS A 679 7.391 -7.768 -27.909 1.00 0.35 H new ATOM 0 HB3 LYS A 679 6.768 -9.301 -27.332 1.00 0.35 H new ATOM 0 HG2 LYS A 679 6.245 -9.954 -29.415 1.00 0.72 H new ATOM 0 HG3 LYS A 679 5.297 -8.506 -29.694 1.00 0.72 H new ATOM 0 HD2 LYS A 679 7.053 -7.366 -30.690 1.00 0.90 H new ATOM 0 HD3 LYS A 679 8.277 -8.203 -29.756 1.00 0.90 H new ATOM 0 HE2 LYS A 679 7.527 -10.323 -31.113 1.00 1.38 H new ATOM 0 HE3 LYS A 679 6.791 -9.168 -32.207 1.00 1.38 H new ATOM 0 HZ1 LYS A 679 9.026 -9.734 -32.903 1.00 2.04 H new ATOM 0 HZ2 LYS A 679 8.949 -8.091 -32.479 1.00 2.04 H new ATOM 0 HZ3 LYS A 679 9.662 -9.210 -31.419 1.00 2.04 H new ATOM 1704 N ILE A 680 4.020 -8.649 -25.507 1.00 0.38 N ATOM 1705 CA ILE A 680 3.742 -9.067 -24.144 1.00 0.50 C ATOM 1706 C ILE A 680 4.395 -10.406 -23.825 1.00 0.44 C ATOM 1707 O ILE A 680 4.858 -10.629 -22.706 1.00 0.47 O ATOM 1708 CB ILE A 680 2.227 -9.162 -23.906 1.00 0.70 C ATOM 1709 CG1 ILE A 680 1.564 -7.819 -24.228 1.00 0.87 C ATOM 1710 CG2 ILE A 680 1.933 -9.586 -22.473 1.00 1.70 C ATOM 1711 CD1 ILE A 680 0.162 -7.679 -23.679 1.00 0.85 C ATOM 0 H ILE A 680 3.253 -8.804 -26.161 1.00 0.38 H new ATOM 0 HA ILE A 680 4.165 -8.313 -23.481 1.00 0.50 H new ATOM 0 HB ILE A 680 1.812 -9.922 -24.569 1.00 0.70 H new ATOM 0 HG12 ILE A 680 2.182 -7.015 -23.828 1.00 0.87 H new ATOM 0 HG13 ILE A 680 1.534 -7.690 -25.310 1.00 0.87 H new ATOM 0 HG21 ILE A 680 0.855 -9.647 -22.326 1.00 1.70 H new ATOM 0 HG22 ILE A 680 2.381 -10.561 -22.283 1.00 1.70 H new ATOM 0 HG23 ILE A 680 2.352 -8.853 -21.783 1.00 1.70 H new ATOM 0 HD11 ILE A 680 -0.239 -6.702 -23.949 1.00 0.85 H new ATOM 0 HD12 ILE A 680 -0.473 -8.460 -24.098 1.00 0.85 H new ATOM 0 HD13 ILE A 680 0.185 -7.774 -22.593 1.00 0.85 H new ATOM 1723 N ILE A 681 4.434 -11.297 -24.809 1.00 0.39 N ATOM 1724 CA ILE A 681 5.039 -12.609 -24.612 1.00 0.38 C ATOM 1725 C ILE A 681 5.528 -13.207 -25.926 1.00 0.38 C ATOM 1726 O ILE A 681 4.803 -13.229 -26.920 1.00 0.38 O ATOM 1727 CB ILE A 681 4.055 -13.591 -23.940 1.00 0.40 C ATOM 1728 CG1 ILE A 681 4.757 -14.911 -23.615 1.00 0.50 C ATOM 1729 CG2 ILE A 681 2.844 -13.836 -24.829 1.00 0.42 C ATOM 1730 CD1 ILE A 681 4.317 -15.522 -22.301 1.00 0.62 C ATOM 0 H ILE A 681 4.057 -11.137 -25.743 1.00 0.39 H new ATOM 0 HA ILE A 681 5.895 -12.459 -23.954 1.00 0.38 H new ATOM 0 HB ILE A 681 3.708 -13.143 -23.009 1.00 0.40 H new ATOM 0 HG12 ILE A 681 4.567 -15.622 -24.419 1.00 0.50 H new ATOM 0 HG13 ILE A 681 5.834 -14.743 -23.586 1.00 0.50 H new ATOM 0 HG21 ILE A 681 2.165 -14.531 -24.335 1.00 0.42 H new ATOM 0 HG22 ILE A 681 2.329 -12.893 -25.011 1.00 0.42 H new ATOM 0 HG23 ILE A 681 3.170 -14.260 -25.779 1.00 0.42 H new ATOM 0 HD11 ILE A 681 4.855 -16.455 -22.135 1.00 0.62 H new ATOM 0 HD12 ILE A 681 4.532 -14.829 -21.487 1.00 0.62 H new ATOM 0 HD13 ILE A 681 3.246 -15.722 -22.333 1.00 0.62 H new ATOM 1742 N TRP A 682 6.762 -13.698 -25.920 1.00 0.41 N ATOM 1743 CA TRP A 682 7.341 -14.306 -27.109 1.00 0.44 C ATOM 1744 C TRP A 682 8.082 -15.595 -26.763 1.00 0.49 C ATOM 1745 O TRP A 682 9.087 -15.572 -26.052 1.00 0.53 O ATOM 1746 CB TRP A 682 8.294 -13.334 -27.809 1.00 0.47 C ATOM 1747 CG TRP A 682 8.994 -13.946 -28.986 1.00 0.54 C ATOM 1748 CD1 TRP A 682 8.640 -15.090 -29.644 1.00 0.55 C ATOM 1749 CD2 TRP A 682 10.169 -13.454 -29.641 1.00 0.64 C ATOM 1750 NE1 TRP A 682 9.521 -15.341 -30.665 1.00 0.65 N ATOM 1751 CE2 TRP A 682 10.469 -14.350 -30.686 1.00 0.71 C ATOM 1752 CE3 TRP A 682 10.994 -12.343 -29.448 1.00 0.71 C ATOM 1753 CZ2 TRP A 682 11.560 -14.167 -31.532 1.00 0.84 C ATOM 1754 CZ3 TRP A 682 12.076 -12.163 -30.288 1.00 0.85 C ATOM 1755 CH2 TRP A 682 12.350 -13.071 -31.319 1.00 0.91 C ATOM 0 H TRP A 682 7.378 -13.687 -25.107 1.00 0.41 H new ATOM 0 HA TRP A 682 6.521 -14.547 -27.786 1.00 0.44 H new ATOM 0 HB2 TRP A 682 7.734 -12.460 -28.141 1.00 0.47 H new ATOM 0 HB3 TRP A 682 9.037 -12.983 -27.093 1.00 0.47 H new ATOM 0 HD1 TRP A 682 7.789 -15.707 -29.396 1.00 0.55 H new ATOM 0 HE1 TRP A 682 9.478 -16.135 -31.304 1.00 0.65 H new ATOM 0 HE3 TRP A 682 10.790 -11.637 -28.656 1.00 0.71 H new ATOM 0 HZ2 TRP A 682 11.775 -14.865 -32.327 1.00 0.84 H new ATOM 0 HZ3 TRP A 682 12.721 -11.308 -30.148 1.00 0.85 H new ATOM 0 HH2 TRP A 682 13.203 -12.902 -31.959 1.00 0.91 H new ATOM 1766 N ASP A 683 7.597 -16.713 -27.291 1.00 0.52 N ATOM 1767 CA ASP A 683 8.234 -18.002 -27.056 1.00 0.58 C ATOM 1768 C ASP A 683 8.513 -18.695 -28.385 1.00 0.61 C ATOM 1769 O ASP A 683 7.592 -19.029 -29.129 1.00 0.66 O ATOM 1770 CB ASP A 683 7.344 -18.886 -26.178 1.00 0.65 C ATOM 1771 CG ASP A 683 8.128 -19.598 -25.094 1.00 0.95 C ATOM 1772 OD1 ASP A 683 9.269 -20.027 -25.370 1.00 1.63 O ATOM 1773 OD2 ASP A 683 7.602 -19.730 -23.970 1.00 1.75 O ATOM 0 H ASP A 683 6.767 -16.752 -27.883 1.00 0.52 H new ATOM 0 HA ASP A 683 9.178 -17.836 -26.537 1.00 0.58 H new ATOM 0 HB2 ASP A 683 6.568 -18.274 -25.719 1.00 0.65 H new ATOM 0 HB3 ASP A 683 6.840 -19.624 -26.802 1.00 0.65 H new ATOM 1778 N LYS A 684 9.792 -18.899 -28.679 1.00 0.65 N ATOM 1779 CA LYS A 684 10.195 -19.544 -29.921 1.00 0.73 C ATOM 1780 C LYS A 684 9.775 -21.011 -29.959 1.00 0.76 C ATOM 1781 O LYS A 684 9.241 -21.488 -30.960 1.00 0.84 O ATOM 1782 CB LYS A 684 11.699 -19.417 -30.115 1.00 0.81 C ATOM 1783 CG LYS A 684 12.094 -18.347 -31.120 1.00 1.51 C ATOM 1784 CD LYS A 684 13.588 -18.372 -31.401 1.00 1.85 C ATOM 1785 CE LYS A 684 13.924 -19.324 -32.538 1.00 2.77 C ATOM 1786 NZ LYS A 684 15.389 -19.562 -32.648 1.00 3.44 N ATOM 0 H LYS A 684 10.567 -18.627 -28.074 1.00 0.65 H new ATOM 0 HA LYS A 684 9.685 -19.036 -30.739 1.00 0.73 H new ATOM 0 HB2 LYS A 684 12.163 -19.191 -29.155 1.00 0.81 H new ATOM 0 HB3 LYS A 684 12.097 -20.377 -30.443 1.00 0.81 H new ATOM 0 HG2 LYS A 684 11.545 -18.499 -32.049 1.00 1.51 H new ATOM 0 HG3 LYS A 684 11.811 -17.366 -30.739 1.00 1.51 H new ATOM 0 HD2 LYS A 684 13.929 -17.368 -31.653 1.00 1.85 H new ATOM 0 HD3 LYS A 684 14.124 -18.674 -30.501 1.00 1.85 H new ATOM 0 HE2 LYS A 684 13.413 -20.274 -32.379 1.00 2.77 H new ATOM 0 HE3 LYS A 684 13.551 -18.914 -33.477 1.00 2.77 H new ATOM 0 HZ1 LYS A 684 15.576 -20.216 -33.435 1.00 3.44 H new ATOM 0 HZ2 LYS A 684 15.875 -18.660 -32.825 1.00 3.44 H new ATOM 0 HZ3 LYS A 684 15.741 -19.977 -31.762 1.00 3.44 H new ATOM 1800 N ASN A 685 10.027 -21.725 -28.865 1.00 0.76 N ATOM 1801 CA ASN A 685 9.683 -23.141 -28.778 1.00 0.83 C ATOM 1802 C ASN A 685 8.181 -23.338 -28.612 1.00 0.76 C ATOM 1803 O ASN A 685 7.595 -24.241 -29.210 1.00 0.82 O ATOM 1804 CB ASN A 685 10.427 -23.796 -27.613 1.00 0.98 C ATOM 1805 CG ASN A 685 11.930 -23.778 -27.803 1.00 1.50 C ATOM 1806 OD1 ASN A 685 12.424 -23.568 -28.911 1.00 2.10 O ATOM 1807 ND2 ASN A 685 12.667 -23.997 -26.721 1.00 2.14 N ATOM 0 H ASN A 685 10.468 -21.346 -28.027 1.00 0.76 H new ATOM 0 HA ASN A 685 9.986 -23.616 -29.711 1.00 0.83 H new ATOM 0 HB2 ASN A 685 10.174 -23.278 -26.688 1.00 0.98 H new ATOM 0 HB3 ASN A 685 10.090 -24.827 -27.504 1.00 0.98 H new ATOM 0 HD21 ASN A 685 13.685 -23.996 -26.788 1.00 2.14 H new ATOM 0 HD22 ASN A 685 12.216 -24.167 -25.822 1.00 2.14 H new ATOM 1814 N ASN A 686 7.560 -22.489 -27.801 1.00 0.72 N ATOM 1815 CA ASN A 686 6.123 -22.575 -27.565 1.00 0.75 C ATOM 1816 C ASN A 686 5.339 -21.858 -28.664 1.00 0.70 C ATOM 1817 O ASN A 686 4.111 -21.924 -28.703 1.00 0.83 O ATOM 1818 CB ASN A 686 5.774 -21.982 -26.197 1.00 0.86 C ATOM 1819 CG ASN A 686 5.388 -23.047 -25.189 1.00 1.07 C ATOM 1820 OD1 ASN A 686 6.165 -23.956 -24.898 1.00 1.84 O ATOM 1821 ND2 ASN A 686 4.179 -22.939 -24.650 1.00 1.42 N ATOM 0 H ASN A 686 8.027 -21.735 -27.297 1.00 0.72 H new ATOM 0 HA ASN A 686 5.842 -23.628 -27.580 1.00 0.75 H new ATOM 0 HB2 ASN A 686 6.628 -21.420 -25.819 1.00 0.86 H new ATOM 0 HB3 ASN A 686 4.951 -21.276 -26.309 1.00 0.86 H new ATOM 0 HD21 ASN A 686 3.862 -23.626 -23.966 1.00 1.42 H new ATOM 0 HD22 ASN A 686 3.567 -22.169 -24.920 1.00 1.42 H new ATOM 1828 N LYS A 687 6.055 -21.173 -29.553 1.00 0.62 N ATOM 1829 CA LYS A 687 5.425 -20.445 -30.647 1.00 0.69 C ATOM 1830 C LYS A 687 4.401 -19.440 -30.124 1.00 0.70 C ATOM 1831 O LYS A 687 3.482 -19.047 -30.841 1.00 0.85 O ATOM 1832 CB LYS A 687 4.758 -21.419 -31.623 1.00 0.85 C ATOM 1833 CG LYS A 687 5.113 -21.156 -33.078 1.00 1.44 C ATOM 1834 CD LYS A 687 4.218 -21.943 -34.022 1.00 1.95 C ATOM 1835 CE LYS A 687 4.393 -21.492 -35.463 1.00 2.55 C ATOM 1836 NZ LYS A 687 4.296 -22.629 -36.418 1.00 3.14 N ATOM 0 H LYS A 687 7.073 -21.108 -29.535 1.00 0.62 H new ATOM 0 HA LYS A 687 6.204 -19.893 -31.174 1.00 0.69 H new ATOM 0 HB2 LYS A 687 5.049 -22.437 -31.364 1.00 0.85 H new ATOM 0 HB3 LYS A 687 3.676 -21.357 -31.504 1.00 0.85 H new ATOM 0 HG2 LYS A 687 5.019 -20.091 -33.290 1.00 1.44 H new ATOM 0 HG3 LYS A 687 6.155 -21.425 -33.254 1.00 1.44 H new ATOM 0 HD2 LYS A 687 4.448 -23.005 -33.942 1.00 1.95 H new ATOM 0 HD3 LYS A 687 3.177 -21.819 -33.725 1.00 1.95 H new ATOM 0 HE2 LYS A 687 3.633 -20.749 -35.705 1.00 2.55 H new ATOM 0 HE3 LYS A 687 5.362 -21.005 -35.576 1.00 2.55 H new ATOM 0 HZ1 LYS A 687 4.421 -22.278 -37.389 1.00 3.14 H new ATOM 0 HZ2 LYS A 687 5.037 -23.326 -36.204 1.00 3.14 H new ATOM 0 HZ3 LYS A 687 3.362 -23.078 -36.330 1.00 3.14 H new ATOM 1850 N PHE A 688 4.574 -19.020 -28.873 1.00 0.65 N ATOM 1851 CA PHE A 688 3.672 -18.049 -28.264 1.00 0.72 C ATOM 1852 C PHE A 688 4.212 -16.642 -28.477 1.00 0.52 C ATOM 1853 O PHE A 688 5.161 -16.229 -27.815 1.00 0.55 O ATOM 1854 CB PHE A 688 3.530 -18.334 -26.765 1.00 0.99 C ATOM 1855 CG PHE A 688 2.129 -18.211 -26.241 1.00 0.60 C ATOM 1856 CD1 PHE A 688 1.135 -19.072 -26.674 1.00 1.39 C ATOM 1857 CD2 PHE A 688 1.810 -17.243 -25.301 1.00 0.82 C ATOM 1858 CE1 PHE A 688 -0.152 -18.971 -26.182 1.00 2.18 C ATOM 1859 CE2 PHE A 688 0.525 -17.136 -24.806 1.00 1.34 C ATOM 1860 CZ PHE A 688 -0.457 -18.003 -25.247 1.00 2.07 C ATOM 0 H PHE A 688 5.328 -19.336 -28.264 1.00 0.65 H new ATOM 0 HA PHE A 688 2.691 -18.130 -28.733 1.00 0.72 H new ATOM 0 HB2 PHE A 688 3.893 -19.342 -26.563 1.00 0.99 H new ATOM 0 HB3 PHE A 688 4.173 -17.647 -26.214 1.00 0.99 H new ATOM 0 HD1 PHE A 688 1.369 -19.832 -27.405 1.00 1.39 H new ATOM 0 HD2 PHE A 688 2.575 -16.565 -24.952 1.00 0.82 H new ATOM 0 HE1 PHE A 688 -0.918 -19.649 -26.529 1.00 2.18 H new ATOM 0 HE2 PHE A 688 0.288 -16.376 -24.076 1.00 1.34 H new ATOM 0 HZ PHE A 688 -1.462 -17.923 -24.860 1.00 2.07 H new ATOM 1870 N VAL A 689 3.611 -15.914 -29.409 1.00 0.45 N ATOM 1871 CA VAL A 689 4.049 -14.563 -29.712 1.00 0.36 C ATOM 1872 C VAL A 689 2.891 -13.575 -29.635 1.00 0.34 C ATOM 1873 O VAL A 689 1.867 -13.755 -30.292 1.00 0.37 O ATOM 1874 CB VAL A 689 4.687 -14.497 -31.113 1.00 0.45 C ATOM 1875 CG1 VAL A 689 5.787 -15.538 -31.251 1.00 1.38 C ATOM 1876 CG2 VAL A 689 3.633 -14.681 -32.198 1.00 1.37 C ATOM 0 H VAL A 689 2.820 -16.238 -29.966 1.00 0.45 H new ATOM 0 HA VAL A 689 4.793 -14.288 -28.965 1.00 0.36 H new ATOM 0 HB VAL A 689 5.132 -13.510 -31.237 1.00 0.45 H new ATOM 0 HG11 VAL A 689 6.225 -15.475 -32.247 1.00 1.38 H new ATOM 0 HG12 VAL A 689 6.558 -15.353 -30.503 1.00 1.38 H new ATOM 0 HG13 VAL A 689 5.367 -16.533 -31.101 1.00 1.38 H new ATOM 0 HG21 VAL A 689 4.107 -14.631 -33.178 1.00 1.37 H new ATOM 0 HG22 VAL A 689 3.152 -15.652 -32.077 1.00 1.37 H new ATOM 0 HG23 VAL A 689 2.885 -13.893 -32.116 1.00 1.37 H new ATOM 1886 N ILE A 690 3.061 -12.528 -28.836 1.00 0.33 N ATOM 1887 CA ILE A 690 2.028 -11.513 -28.689 1.00 0.34 C ATOM 1888 C ILE A 690 2.603 -10.118 -28.921 1.00 0.34 C ATOM 1889 O ILE A 690 3.789 -9.880 -28.700 1.00 0.52 O ATOM 1890 CB ILE A 690 1.352 -11.588 -27.298 1.00 0.40 C ATOM 1891 CG1 ILE A 690 0.254 -12.655 -27.310 1.00 0.67 C ATOM 1892 CG2 ILE A 690 0.777 -10.233 -26.891 1.00 0.61 C ATOM 1893 CD1 ILE A 690 -0.594 -12.672 -26.055 1.00 0.83 C ATOM 0 H ILE A 690 3.901 -12.361 -28.283 1.00 0.33 H new ATOM 0 HA ILE A 690 1.267 -11.710 -29.445 1.00 0.34 H new ATOM 0 HB ILE A 690 2.108 -11.863 -26.562 1.00 0.40 H new ATOM 0 HG12 ILE A 690 -0.392 -12.489 -28.172 1.00 0.67 H new ATOM 0 HG13 ILE A 690 0.714 -13.635 -27.440 1.00 0.67 H new ATOM 0 HG21 ILE A 690 0.309 -10.316 -25.910 1.00 0.61 H new ATOM 0 HG22 ILE A 690 1.578 -9.495 -26.849 1.00 0.61 H new ATOM 0 HG23 ILE A 690 0.033 -9.919 -27.623 1.00 0.61 H new ATOM 0 HD11 ILE A 690 -1.350 -13.453 -26.137 1.00 0.83 H new ATOM 0 HD12 ILE A 690 0.040 -12.869 -25.190 1.00 0.83 H new ATOM 0 HD13 ILE A 690 -1.083 -11.706 -25.933 1.00 0.83 H new ATOM 1905 N GLY A 691 1.750 -9.204 -29.372 1.00 0.31 N ATOM 1906 CA GLY A 691 2.190 -7.846 -29.630 1.00 0.33 C ATOM 1907 C GLY A 691 1.037 -6.897 -29.898 1.00 0.27 C ATOM 1908 O GLY A 691 0.152 -7.196 -30.699 1.00 0.30 O ATOM 0 H GLY A 691 0.764 -9.379 -29.563 1.00 0.31 H new ATOM 0 HA2 GLY A 691 2.761 -7.485 -28.775 1.00 0.33 H new ATOM 0 HA3 GLY A 691 2.864 -7.843 -30.487 1.00 0.33 H new ATOM 1912 N PHE A 692 1.053 -5.747 -29.230 1.00 0.29 N ATOM 1913 CA PHE A 692 0.007 -4.744 -29.404 1.00 0.29 C ATOM 1914 C PHE A 692 0.579 -3.483 -30.027 1.00 0.30 C ATOM 1915 O PHE A 692 1.684 -3.067 -29.686 1.00 0.47 O ATOM 1916 CB PHE A 692 -0.627 -4.385 -28.060 1.00 0.42 C ATOM 1917 CG PHE A 692 -1.561 -5.427 -27.524 1.00 0.30 C ATOM 1918 CD1 PHE A 692 -1.175 -6.754 -27.447 1.00 0.45 C ATOM 1919 CD2 PHE A 692 -2.829 -5.074 -27.097 1.00 0.93 C ATOM 1920 CE1 PHE A 692 -2.037 -7.711 -26.953 1.00 0.52 C ATOM 1921 CE2 PHE A 692 -3.695 -6.026 -26.602 1.00 1.35 C ATOM 1922 CZ PHE A 692 -3.300 -7.346 -26.531 1.00 1.06 C ATOM 0 H PHE A 692 1.779 -5.486 -28.563 1.00 0.29 H new ATOM 0 HA PHE A 692 -0.752 -5.167 -30.062 1.00 0.29 H new ATOM 0 HB2 PHE A 692 0.165 -4.214 -27.331 1.00 0.42 H new ATOM 0 HB3 PHE A 692 -1.170 -3.446 -28.166 1.00 0.42 H new ATOM 0 HD1 PHE A 692 -0.188 -7.043 -27.777 1.00 0.45 H new ATOM 0 HD2 PHE A 692 -3.144 -4.042 -27.152 1.00 0.93 H new ATOM 0 HE1 PHE A 692 -1.725 -8.743 -26.896 1.00 0.52 H new ATOM 0 HE2 PHE A 692 -4.682 -5.739 -26.270 1.00 1.35 H new ATOM 0 HZ PHE A 692 -3.978 -8.093 -26.146 1.00 1.06 H new ATOM 1932 N LYS A 693 -0.180 -2.864 -30.921 1.00 0.29 N ATOM 1933 CA LYS A 693 0.262 -1.637 -31.567 1.00 0.30 C ATOM 1934 C LYS A 693 -0.416 -0.431 -30.931 1.00 0.26 C ATOM 1935 O LYS A 693 -1.638 -0.293 -30.980 1.00 0.29 O ATOM 1936 CB LYS A 693 -0.038 -1.680 -33.066 1.00 0.38 C ATOM 1937 CG LYS A 693 0.550 -0.509 -33.838 1.00 0.55 C ATOM 1938 CD LYS A 693 0.962 -0.917 -35.243 1.00 0.75 C ATOM 1939 CE LYS A 693 1.219 0.297 -36.122 1.00 1.08 C ATOM 1940 NZ LYS A 693 0.843 0.046 -37.541 1.00 1.87 N ATOM 0 H LYS A 693 -1.101 -3.190 -31.214 1.00 0.29 H new ATOM 0 HA LYS A 693 1.340 -1.547 -31.432 1.00 0.30 H new ATOM 0 HB2 LYS A 693 0.352 -2.610 -33.480 1.00 0.38 H new ATOM 0 HB3 LYS A 693 -1.118 -1.695 -33.212 1.00 0.38 H new ATOM 0 HG2 LYS A 693 -0.182 0.297 -33.892 1.00 0.55 H new ATOM 0 HG3 LYS A 693 1.415 -0.118 -33.303 1.00 0.55 H new ATOM 0 HD2 LYS A 693 1.862 -1.531 -35.196 1.00 0.75 H new ATOM 0 HD3 LYS A 693 0.180 -1.532 -35.689 1.00 0.75 H new ATOM 0 HE2 LYS A 693 0.653 1.147 -35.741 1.00 1.08 H new ATOM 0 HE3 LYS A 693 2.274 0.567 -36.068 1.00 1.08 H new ATOM 0 HZ1 LYS A 693 1.034 0.898 -38.107 1.00 1.87 H new ATOM 0 HZ2 LYS A 693 1.402 -0.749 -37.913 1.00 1.87 H new ATOM 0 HZ3 LYS A 693 -0.169 -0.187 -37.596 1.00 1.87 H new ATOM 1954 N VAL A 694 0.386 0.439 -30.328 1.00 0.25 N ATOM 1955 CA VAL A 694 -0.134 1.633 -29.677 1.00 0.23 C ATOM 1956 C VAL A 694 -0.385 2.743 -30.690 1.00 0.24 C ATOM 1957 O VAL A 694 0.541 3.210 -31.352 1.00 0.27 O ATOM 1958 CB VAL A 694 0.833 2.134 -28.580 1.00 0.25 C ATOM 1959 CG1 VAL A 694 0.911 3.655 -28.558 1.00 0.31 C ATOM 1960 CG2 VAL A 694 0.402 1.601 -27.224 1.00 0.24 C ATOM 0 H VAL A 694 1.400 0.339 -30.277 1.00 0.25 H new ATOM 0 HA VAL A 694 -1.082 1.364 -29.211 1.00 0.23 H new ATOM 0 HB VAL A 694 1.830 1.758 -28.809 1.00 0.25 H new ATOM 0 HG11 VAL A 694 1.600 3.973 -27.775 1.00 0.31 H new ATOM 0 HG12 VAL A 694 1.268 4.015 -29.523 1.00 0.31 H new ATOM 0 HG13 VAL A 694 -0.078 4.067 -28.360 1.00 0.31 H new ATOM 0 HG21 VAL A 694 1.089 1.959 -26.457 1.00 0.24 H new ATOM 0 HG22 VAL A 694 -0.606 1.950 -27.000 1.00 0.24 H new ATOM 0 HG23 VAL A 694 0.413 0.511 -27.241 1.00 0.24 H new ATOM 1970 N GLU A 695 -1.641 3.164 -30.793 1.00 0.26 N ATOM 1971 CA GLU A 695 -2.019 4.227 -31.714 1.00 0.29 C ATOM 1972 C GLU A 695 -2.822 5.303 -30.990 1.00 0.27 C ATOM 1973 O GLU A 695 -3.957 5.071 -30.575 1.00 0.28 O ATOM 1974 CB GLU A 695 -2.834 3.657 -32.877 1.00 0.32 C ATOM 1975 CG GLU A 695 -2.310 4.063 -34.245 1.00 0.58 C ATOM 1976 CD GLU A 695 -3.415 4.217 -35.270 1.00 1.07 C ATOM 1977 OE1 GLU A 695 -3.995 3.189 -35.677 1.00 1.67 O ATOM 1978 OE2 GLU A 695 -3.701 5.367 -35.667 1.00 1.92 O ATOM 0 H GLU A 695 -2.415 2.784 -30.248 1.00 0.26 H new ATOM 0 HA GLU A 695 -1.109 4.679 -32.109 1.00 0.29 H new ATOM 0 HB2 GLU A 695 -2.839 2.569 -32.807 1.00 0.32 H new ATOM 0 HB3 GLU A 695 -3.868 3.987 -32.781 1.00 0.32 H new ATOM 0 HG2 GLU A 695 -1.767 5.004 -34.157 1.00 0.58 H new ATOM 0 HG3 GLU A 695 -1.598 3.315 -34.594 1.00 0.58 H new ATOM 1985 N ILE A 696 -2.222 6.477 -30.841 1.00 0.28 N ATOM 1986 CA ILE A 696 -2.876 7.591 -30.165 1.00 0.28 C ATOM 1987 C ILE A 696 -3.788 8.353 -31.117 1.00 0.29 C ATOM 1988 O ILE A 696 -3.320 9.036 -32.029 1.00 0.32 O ATOM 1989 CB ILE A 696 -1.848 8.576 -29.573 1.00 0.29 C ATOM 1990 CG1 ILE A 696 -0.738 7.821 -28.842 1.00 0.45 C ATOM 1991 CG2 ILE A 696 -2.536 9.556 -28.636 1.00 0.38 C ATOM 1992 CD1 ILE A 696 0.479 8.673 -28.556 1.00 0.47 C ATOM 0 H ILE A 696 -1.282 6.683 -31.180 1.00 0.28 H new ATOM 0 HA ILE A 696 -3.468 7.161 -29.357 1.00 0.28 H new ATOM 0 HB ILE A 696 -1.396 9.138 -30.390 1.00 0.29 H new ATOM 0 HG12 ILE A 696 -1.130 7.433 -27.902 1.00 0.45 H new ATOM 0 HG13 ILE A 696 -0.438 6.961 -29.441 1.00 0.45 H new ATOM 0 HG21 ILE A 696 -1.798 10.245 -28.225 1.00 0.38 H new ATOM 0 HG22 ILE A 696 -3.290 10.118 -29.187 1.00 0.38 H new ATOM 0 HG23 ILE A 696 -3.013 9.008 -27.823 1.00 0.38 H new ATOM 0 HD11 ILE A 696 1.228 8.075 -28.036 1.00 0.47 H new ATOM 0 HD12 ILE A 696 0.895 9.039 -29.494 1.00 0.47 H new ATOM 0 HD13 ILE A 696 0.192 9.519 -27.931 1.00 0.47 H new ATOM 2004 N ASN A 697 -5.090 8.246 -30.889 1.00 0.30 N ATOM 2005 CA ASN A 697 -6.064 8.942 -31.718 1.00 0.32 C ATOM 2006 C ASN A 697 -6.250 10.362 -31.205 1.00 0.31 C ATOM 2007 O ASN A 697 -6.285 11.320 -31.977 1.00 0.34 O ATOM 2008 CB ASN A 697 -7.403 8.200 -31.713 1.00 0.36 C ATOM 2009 CG ASN A 697 -7.527 7.223 -32.865 1.00 0.56 C ATOM 2010 OD1 ASN A 697 -8.578 7.122 -33.498 1.00 1.24 O ATOM 2011 ND2 ASN A 697 -6.451 6.496 -33.144 1.00 0.43 N ATOM 0 H ASN A 697 -5.495 7.686 -30.139 1.00 0.30 H new ATOM 0 HA ASN A 697 -5.694 8.975 -32.743 1.00 0.32 H new ATOM 0 HB2 ASN A 697 -7.514 7.663 -30.771 1.00 0.36 H new ATOM 0 HB3 ASN A 697 -8.216 8.924 -31.765 1.00 0.36 H new ATOM 0 HD21 ASN A 697 -6.475 5.822 -33.909 1.00 0.43 H new ATOM 0 HD22 ASN A 697 -5.600 6.612 -32.593 1.00 0.43 H new ATOM 2018 N ASP A 698 -6.356 10.481 -29.888 1.00 0.29 N ATOM 2019 CA ASP A 698 -6.523 11.773 -29.243 1.00 0.30 C ATOM 2020 C ASP A 698 -5.283 12.154 -28.470 1.00 0.30 C ATOM 2021 O ASP A 698 -4.662 11.316 -27.823 1.00 0.29 O ATOM 2022 CB ASP A 698 -7.714 11.749 -28.302 1.00 0.32 C ATOM 2023 CG ASP A 698 -8.948 11.119 -28.919 1.00 0.41 C ATOM 2024 OD1 ASP A 698 -8.873 10.670 -30.083 1.00 1.28 O ATOM 2025 OD2 ASP A 698 -9.993 11.078 -28.237 1.00 1.09 O ATOM 0 H ASP A 698 -6.329 9.691 -29.243 1.00 0.29 H new ATOM 0 HA ASP A 698 -6.695 12.514 -30.024 1.00 0.30 H new ATOM 0 HB2 ASP A 698 -7.445 11.199 -27.400 1.00 0.32 H new ATOM 0 HB3 ASP A 698 -7.948 12.769 -27.996 1.00 0.32 H new ATOM 2030 N THR A 699 -4.948 13.431 -28.507 1.00 0.32 N ATOM 2031 CA THR A 699 -3.814 13.921 -27.771 1.00 0.34 C ATOM 2032 C THR A 699 -4.304 14.839 -26.673 1.00 0.37 C ATOM 2033 O THR A 699 -4.563 16.022 -26.891 1.00 0.40 O ATOM 2034 CB THR A 699 -2.820 14.677 -28.670 1.00 0.37 C ATOM 2035 OG1 THR A 699 -3.348 15.960 -29.026 1.00 0.55 O ATOM 2036 CG2 THR A 699 -2.519 13.882 -29.928 1.00 0.39 C ATOM 0 H THR A 699 -5.449 14.141 -29.041 1.00 0.32 H new ATOM 0 HA THR A 699 -3.286 13.064 -27.352 1.00 0.34 H new ATOM 0 HB THR A 699 -1.894 14.812 -28.111 1.00 0.37 H new ATOM 0 HG1 THR A 699 -3.626 16.436 -28.216 1.00 0.55 H new ATOM 0 HG21 THR A 699 -1.814 14.436 -30.548 1.00 0.39 H new ATOM 0 HG22 THR A 699 -2.085 12.920 -29.655 1.00 0.39 H new ATOM 0 HG23 THR A 699 -3.442 13.719 -30.485 1.00 0.39 H new ATOM 2044 N THR A 700 -4.429 14.269 -25.496 1.00 0.38 N ATOM 2045 CA THR A 700 -4.890 15.004 -24.325 1.00 0.43 C ATOM 2046 C THR A 700 -3.870 16.056 -23.912 1.00 0.50 C ATOM 2047 O THR A 700 -3.254 15.959 -22.850 1.00 0.53 O ATOM 2048 CB THR A 700 -5.157 14.060 -23.137 1.00 0.43 C ATOM 2049 OG1 THR A 700 -5.575 14.816 -21.995 1.00 0.90 O ATOM 2050 CG2 THR A 700 -3.910 13.259 -22.792 1.00 0.99 C ATOM 0 H THR A 700 -4.217 13.288 -25.317 1.00 0.38 H new ATOM 0 HA THR A 700 -5.824 15.494 -24.600 1.00 0.43 H new ATOM 0 HB THR A 700 -5.948 13.367 -23.423 1.00 0.43 H new ATOM 0 HG1 THR A 700 -4.863 15.437 -21.735 1.00 0.90 H new ATOM 0 HG21 THR A 700 -4.122 12.600 -21.950 1.00 0.99 H new ATOM 0 HG22 THR A 700 -3.611 12.663 -23.654 1.00 0.99 H new ATOM 0 HG23 THR A 700 -3.102 13.940 -22.524 1.00 0.99 H new ATOM 2058 N GLY A 701 -3.686 17.060 -24.765 1.00 0.56 N ATOM 2059 CA GLY A 701 -2.731 18.112 -24.478 1.00 0.67 C ATOM 2060 C GLY A 701 -1.346 17.565 -24.206 1.00 0.64 C ATOM 2061 O GLY A 701 -0.635 18.061 -23.332 1.00 0.79 O ATOM 0 H GLY A 701 -4.182 17.162 -25.650 1.00 0.56 H new ATOM 0 HA2 GLY A 701 -2.689 18.802 -25.320 1.00 0.67 H new ATOM 0 HA3 GLY A 701 -3.071 18.684 -23.614 1.00 0.67 H new ATOM 2065 N LEU A 702 -0.962 16.533 -24.953 1.00 0.55 N ATOM 2066 CA LEU A 702 0.347 15.916 -24.779 1.00 0.55 C ATOM 2067 C LEU A 702 1.435 16.747 -25.441 1.00 0.67 C ATOM 2068 O LEU A 702 1.254 17.255 -26.548 1.00 0.80 O ATOM 2069 CB LEU A 702 0.359 14.502 -25.368 1.00 0.55 C ATOM 2070 CG LEU A 702 -0.494 13.456 -24.638 1.00 0.52 C ATOM 2071 CD1 LEU A 702 0.161 12.088 -24.732 1.00 1.31 C ATOM 2072 CD2 LEU A 702 -0.711 13.841 -23.181 1.00 1.42 C ATOM 0 H LEU A 702 -1.537 16.109 -25.681 1.00 0.55 H new ATOM 0 HA LEU A 702 0.546 15.863 -23.709 1.00 0.55 H new ATOM 0 HB2 LEU A 702 0.020 14.559 -26.402 1.00 0.55 H new ATOM 0 HB3 LEU A 702 1.390 14.149 -25.389 1.00 0.55 H new ATOM 0 HG LEU A 702 -1.470 13.416 -25.123 1.00 0.52 H new ATOM 0 HD11 LEU A 702 -0.453 11.354 -24.210 1.00 1.31 H new ATOM 0 HD12 LEU A 702 0.257 11.802 -25.779 1.00 1.31 H new ATOM 0 HD13 LEU A 702 1.149 12.126 -24.274 1.00 1.31 H new ATOM 0 HD21 LEU A 702 -1.319 13.081 -22.690 1.00 1.42 H new ATOM 0 HD22 LEU A 702 0.253 13.916 -22.677 1.00 1.42 H new ATOM 0 HD23 LEU A 702 -1.222 14.802 -23.131 1.00 1.42 H new ATOM 2251 N ARG A 714 14.812 5.232 -27.069 1.00 0.59 N ATOM 2252 CA ARG A 714 14.210 4.055 -26.450 1.00 0.62 C ATOM 2253 C ARG A 714 15.095 3.434 -25.371 1.00 0.58 C ATOM 2254 O ARG A 714 15.895 2.540 -25.645 1.00 0.63 O ATOM 2255 CB ARG A 714 13.884 3.020 -27.522 1.00 0.98 C ATOM 2256 CG ARG A 714 12.627 3.351 -28.305 1.00 0.91 C ATOM 2257 CD ARG A 714 11.397 3.374 -27.409 1.00 0.71 C ATOM 2258 NE ARG A 714 10.432 2.350 -27.798 1.00 1.07 N ATOM 2259 CZ ARG A 714 9.701 2.409 -28.910 1.00 1.87 C ATOM 2260 NH1 ARG A 714 9.805 3.451 -29.726 1.00 2.13 N ATOM 2261 NH2 ARG A 714 8.865 1.426 -29.206 1.00 2.50 N ATOM 0 HA ARG A 714 13.295 4.383 -25.956 1.00 0.62 H new ATOM 0 HB2 ARG A 714 14.725 2.942 -28.211 1.00 0.98 H new ATOM 0 HB3 ARG A 714 13.766 2.044 -27.052 1.00 0.98 H new ATOM 0 HG2 ARG A 714 12.744 4.321 -28.788 1.00 0.91 H new ATOM 0 HG3 ARG A 714 12.487 2.615 -29.097 1.00 0.91 H new ATOM 0 HD2 ARG A 714 11.697 3.217 -26.373 1.00 0.71 H new ATOM 0 HD3 ARG A 714 10.927 4.356 -27.460 1.00 0.71 H new ATOM 0 HE ARG A 714 10.311 1.544 -27.184 1.00 1.07 H new ATOM 0 HH11 ARG A 714 10.447 4.211 -29.503 1.00 2.13 H new ATOM 0 HH12 ARG A 714 9.243 3.491 -30.576 1.00 2.13 H new ATOM 0 HH21 ARG A 714 8.781 0.623 -28.582 1.00 2.50 H new ATOM 0 HH22 ARG A 714 8.305 1.471 -30.058 1.00 2.50 H new ATOM 2275 N VAL A 715 14.919 3.899 -24.140 1.00 0.52 N ATOM 2276 CA VAL A 715 15.671 3.381 -23.008 1.00 0.49 C ATOM 2277 C VAL A 715 14.715 2.904 -21.923 1.00 0.46 C ATOM 2278 O VAL A 715 13.684 3.529 -21.675 1.00 0.49 O ATOM 2279 CB VAL A 715 16.615 4.438 -22.413 1.00 0.53 C ATOM 2280 CG1 VAL A 715 17.847 4.610 -23.288 1.00 0.59 C ATOM 2281 CG2 VAL A 715 15.890 5.763 -22.230 1.00 0.56 C ATOM 0 H VAL A 715 14.258 4.638 -23.902 1.00 0.52 H new ATOM 0 HA VAL A 715 16.275 2.550 -23.373 1.00 0.49 H new ATOM 0 HB VAL A 715 16.942 4.093 -21.432 1.00 0.53 H new ATOM 0 HG11 VAL A 715 18.502 5.362 -22.850 1.00 0.59 H new ATOM 0 HG12 VAL A 715 18.379 3.661 -23.358 1.00 0.59 H new ATOM 0 HG13 VAL A 715 17.544 4.930 -24.285 1.00 0.59 H new ATOM 0 HG21 VAL A 715 16.576 6.498 -21.808 1.00 0.56 H new ATOM 0 HG22 VAL A 715 15.529 6.117 -23.196 1.00 0.56 H new ATOM 0 HG23 VAL A 715 15.045 5.625 -21.555 1.00 0.56 H new ATOM 2291 N VAL A 716 15.052 1.792 -21.284 1.00 0.43 N ATOM 2292 CA VAL A 716 14.205 1.240 -20.235 1.00 0.41 C ATOM 2293 C VAL A 716 14.505 1.891 -18.886 1.00 0.42 C ATOM 2294 O VAL A 716 15.661 1.979 -18.471 1.00 0.46 O ATOM 2295 CB VAL A 716 14.373 -0.292 -20.115 1.00 0.39 C ATOM 2296 CG1 VAL A 716 13.721 -0.818 -18.841 1.00 0.57 C ATOM 2297 CG2 VAL A 716 13.794 -0.988 -21.339 1.00 0.72 C ATOM 0 H VAL A 716 15.900 1.257 -21.472 1.00 0.43 H new ATOM 0 HA VAL A 716 13.174 1.456 -20.515 1.00 0.41 H new ATOM 0 HB VAL A 716 15.439 -0.512 -20.061 1.00 0.39 H new ATOM 0 HG11 VAL A 716 13.855 -1.898 -18.783 1.00 0.57 H new ATOM 0 HG12 VAL A 716 14.185 -0.348 -17.974 1.00 0.57 H new ATOM 0 HG13 VAL A 716 12.656 -0.584 -18.854 1.00 0.57 H new ATOM 0 HG21 VAL A 716 13.921 -2.066 -21.238 1.00 0.72 H new ATOM 0 HG22 VAL A 716 12.733 -0.753 -21.423 1.00 0.72 H new ATOM 0 HG23 VAL A 716 14.314 -0.644 -22.233 1.00 0.72 H new ATOM 2307 N LEU A 717 13.455 2.340 -18.204 1.00 0.45 N ATOM 2308 CA LEU A 717 13.605 2.976 -16.898 1.00 0.49 C ATOM 2309 C LEU A 717 13.033 2.088 -15.797 1.00 0.43 C ATOM 2310 O LEU A 717 12.407 1.065 -16.076 1.00 0.44 O ATOM 2311 CB LEU A 717 12.908 4.338 -16.885 1.00 0.58 C ATOM 2312 CG LEU A 717 13.113 5.183 -18.144 1.00 1.00 C ATOM 2313 CD1 LEU A 717 11.862 5.168 -19.010 1.00 1.69 C ATOM 2314 CD2 LEU A 717 13.490 6.611 -17.774 1.00 1.21 C ATOM 0 H LEU A 717 12.492 2.275 -18.533 1.00 0.45 H new ATOM 0 HA LEU A 717 14.669 3.121 -16.711 1.00 0.49 H new ATOM 0 HB2 LEU A 717 11.839 4.181 -16.742 1.00 0.58 H new ATOM 0 HB3 LEU A 717 13.265 4.904 -16.024 1.00 0.58 H new ATOM 0 HG LEU A 717 13.932 4.749 -18.718 1.00 1.00 H new ATOM 0 HD11 LEU A 717 12.028 5.775 -19.900 1.00 1.69 H new ATOM 0 HD12 LEU A 717 11.637 4.143 -19.306 1.00 1.69 H new ATOM 0 HD13 LEU A 717 11.023 5.575 -18.445 1.00 1.69 H new ATOM 0 HD21 LEU A 717 13.632 7.197 -18.682 1.00 1.21 H new ATOM 0 HD22 LEU A 717 12.693 7.054 -17.177 1.00 1.21 H new ATOM 0 HD23 LEU A 717 14.415 6.605 -17.198 1.00 1.21 H new ATOM 2326 N LYS A 718 13.250 2.482 -14.548 1.00 0.51 N ATOM 2327 CA LYS A 718 12.754 1.718 -13.408 1.00 0.48 C ATOM 2328 C LYS A 718 11.520 2.379 -12.798 1.00 0.47 C ATOM 2329 O LYS A 718 11.311 3.583 -12.948 1.00 0.55 O ATOM 2330 CB LYS A 718 13.849 1.573 -12.348 1.00 0.56 C ATOM 2331 CG LYS A 718 14.001 0.154 -11.823 1.00 0.77 C ATOM 2332 CD LYS A 718 14.288 0.138 -10.331 1.00 1.25 C ATOM 2333 CE LYS A 718 15.766 -0.066 -10.047 1.00 1.77 C ATOM 2334 NZ LYS A 718 15.993 -1.067 -8.969 1.00 2.47 N ATOM 0 H LYS A 718 13.766 3.326 -14.298 1.00 0.51 H new ATOM 0 HA LYS A 718 12.470 0.728 -13.765 1.00 0.48 H new ATOM 0 HB2 LYS A 718 14.799 1.899 -12.772 1.00 0.56 H new ATOM 0 HB3 LYS A 718 13.627 2.239 -11.514 1.00 0.56 H new ATOM 0 HG2 LYS A 718 13.090 -0.409 -12.025 1.00 0.77 H new ATOM 0 HG3 LYS A 718 14.810 -0.347 -12.355 1.00 0.77 H new ATOM 0 HD2 LYS A 718 13.958 1.077 -9.887 1.00 1.25 H new ATOM 0 HD3 LYS A 718 13.713 -0.658 -9.858 1.00 1.25 H new ATOM 0 HE2 LYS A 718 16.268 -0.393 -10.957 1.00 1.77 H new ATOM 0 HE3 LYS A 718 16.215 0.885 -9.759 1.00 1.77 H new ATOM 0 HZ1 LYS A 718 17.014 -1.176 -8.806 1.00 2.47 H new ATOM 0 HZ2 LYS A 718 15.536 -0.743 -8.093 1.00 2.47 H new ATOM 0 HZ3 LYS A 718 15.588 -1.982 -9.254 1.00 2.47 H new ATOM 2348 N GLN A 719 10.708 1.583 -12.107 1.00 0.47 N ATOM 2349 CA GLN A 719 9.497 2.091 -11.471 1.00 0.49 C ATOM 2350 C GLN A 719 9.744 2.393 -9.996 1.00 0.51 C ATOM 2351 O GLN A 719 10.696 1.888 -9.401 1.00 0.55 O ATOM 2352 CB GLN A 719 8.352 1.084 -11.619 1.00 0.52 C ATOM 2353 CG GLN A 719 8.525 -0.173 -10.779 1.00 0.65 C ATOM 2354 CD GLN A 719 7.265 -1.016 -10.725 1.00 0.56 C ATOM 2355 OE1 GLN A 719 6.715 -1.331 -11.892 1.00 1.01 O flip ATOM 2356 NE2 GLN A 719 6.794 -1.379 -9.648 1.00 0.72 N flip ATOM 0 H GLN A 719 10.867 0.584 -11.974 1.00 0.47 H new ATOM 0 HA GLN A 719 9.216 3.019 -11.970 1.00 0.49 H new ATOM 0 HB2 GLN A 719 7.416 1.569 -11.341 1.00 0.52 H new ATOM 0 HB3 GLN A 719 8.264 0.799 -12.668 1.00 0.52 H new ATOM 0 HG2 GLN A 719 9.340 -0.770 -11.188 1.00 0.65 H new ATOM 0 HG3 GLN A 719 8.813 0.108 -9.766 1.00 0.65 H new ATOM 0 HE21 GLN A 719 7.251 -1.113 -8.776 1.00 0.72 H new ATOM 0 HE22 GLN A 719 5.946 -1.946 -9.627 1.00 0.72 H new ATOM 2365 N THR A 720 8.883 3.218 -9.411 1.00 0.54 N ATOM 2366 CA THR A 720 9.013 3.586 -8.006 1.00 0.59 C ATOM 2367 C THR A 720 7.732 3.284 -7.237 1.00 0.56 C ATOM 2368 O THR A 720 6.790 2.708 -7.781 1.00 0.50 O ATOM 2369 CB THR A 720 9.357 5.079 -7.848 1.00 0.69 C ATOM 2370 OG1 THR A 720 8.295 5.886 -8.370 1.00 0.80 O ATOM 2371 CG2 THR A 720 10.655 5.413 -8.566 1.00 0.82 C ATOM 0 H THR A 720 8.088 3.644 -9.887 1.00 0.54 H new ATOM 0 HA THR A 720 9.827 2.988 -7.595 1.00 0.59 H new ATOM 0 HB THR A 720 9.483 5.290 -6.786 1.00 0.69 H new ATOM 0 HG1 THR A 720 8.522 6.834 -8.264 1.00 0.80 H new ATOM 0 HG21 THR A 720 10.878 6.473 -8.441 1.00 0.82 H new ATOM 0 HG22 THR A 720 11.467 4.819 -8.145 1.00 0.82 H new ATOM 0 HG23 THR A 720 10.552 5.187 -9.627 1.00 0.82 H new ATOM 2379 N ALA A 721 7.704 3.674 -5.966 1.00 0.62 N ATOM 2380 CA ALA A 721 6.539 3.444 -5.118 1.00 0.62 C ATOM 2381 C ALA A 721 5.273 3.996 -5.764 1.00 0.59 C ATOM 2382 O ALA A 721 4.178 3.479 -5.546 1.00 0.56 O ATOM 2383 CB ALA A 721 6.751 4.071 -3.748 1.00 0.70 C ATOM 0 H ALA A 721 8.476 4.151 -5.500 1.00 0.62 H new ATOM 0 HA ALA A 721 6.415 2.368 -4.997 1.00 0.62 H new ATOM 0 HB1 ALA A 721 5.874 3.892 -3.126 1.00 0.70 H new ATOM 0 HB2 ALA A 721 7.627 3.627 -3.276 1.00 0.70 H new ATOM 0 HB3 ALA A 721 6.904 5.145 -3.859 1.00 0.70 H new ATOM 2389 N GLU A 722 5.431 5.046 -6.563 1.00 0.61 N ATOM 2390 CA GLU A 722 4.300 5.663 -7.244 1.00 0.60 C ATOM 2391 C GLU A 722 3.619 4.660 -8.169 1.00 0.53 C ATOM 2392 O GLU A 722 2.399 4.501 -8.139 1.00 0.52 O ATOM 2393 CB GLU A 722 4.761 6.882 -8.045 1.00 0.65 C ATOM 2394 CG GLU A 722 3.704 7.967 -8.165 1.00 1.19 C ATOM 2395 CD GLU A 722 4.292 9.363 -8.107 1.00 1.60 C ATOM 2396 OE1 GLU A 722 4.562 9.846 -6.988 1.00 2.26 O ATOM 2397 OE2 GLU A 722 4.483 9.972 -9.180 1.00 2.23 O ATOM 0 H GLU A 722 6.331 5.487 -6.754 1.00 0.61 H new ATOM 0 HA GLU A 722 3.582 5.986 -6.490 1.00 0.60 H new ATOM 0 HB2 GLU A 722 5.649 7.302 -7.572 1.00 0.65 H new ATOM 0 HB3 GLU A 722 5.054 6.560 -9.044 1.00 0.65 H new ATOM 0 HG2 GLU A 722 3.166 7.842 -9.105 1.00 1.19 H new ATOM 0 HG3 GLU A 722 2.976 7.850 -7.362 1.00 1.19 H new ATOM 2404 N GLU A 723 4.418 3.983 -8.987 1.00 0.50 N ATOM 2405 CA GLU A 723 3.898 2.992 -9.920 1.00 0.45 C ATOM 2406 C GLU A 723 3.339 1.784 -9.174 1.00 0.39 C ATOM 2407 O GLU A 723 2.239 1.314 -9.468 1.00 0.36 O ATOM 2408 CB GLU A 723 4.996 2.546 -10.887 1.00 0.45 C ATOM 2409 CG GLU A 723 5.209 3.504 -12.048 1.00 0.65 C ATOM 2410 CD GLU A 723 6.194 4.609 -11.720 1.00 1.04 C ATOM 2411 OE1 GLU A 723 5.833 5.513 -10.936 1.00 1.55 O ATOM 2412 OE2 GLU A 723 7.326 4.571 -12.245 1.00 1.65 O ATOM 0 H GLU A 723 5.430 4.103 -9.022 1.00 0.50 H new ATOM 0 HA GLU A 723 3.089 3.452 -10.488 1.00 0.45 H new ATOM 0 HB2 GLU A 723 5.932 2.440 -10.338 1.00 0.45 H new ATOM 0 HB3 GLU A 723 4.744 1.561 -11.281 1.00 0.45 H new ATOM 0 HG2 GLU A 723 5.569 2.946 -12.913 1.00 0.65 H new ATOM 0 HG3 GLU A 723 4.253 3.946 -12.329 1.00 0.65 H new ATOM 2419 N LYS A 724 4.105 1.285 -8.209 1.00 0.41 N ATOM 2420 CA LYS A 724 3.689 0.130 -7.420 1.00 0.39 C ATOM 2421 C LYS A 724 2.348 0.385 -6.734 1.00 0.36 C ATOM 2422 O LYS A 724 1.547 -0.531 -6.557 1.00 0.35 O ATOM 2423 CB LYS A 724 4.753 -0.207 -6.374 1.00 0.45 C ATOM 2424 CG LYS A 724 4.854 -1.693 -6.066 1.00 1.18 C ATOM 2425 CD LYS A 724 6.292 -2.109 -5.798 1.00 1.47 C ATOM 2426 CE LYS A 724 6.783 -1.581 -4.459 1.00 1.89 C ATOM 2427 NZ LYS A 724 6.712 -2.620 -3.394 1.00 2.68 N ATOM 0 H LYS A 724 5.018 1.662 -7.954 1.00 0.41 H new ATOM 0 HA LYS A 724 3.571 -0.715 -8.098 1.00 0.39 H new ATOM 0 HB2 LYS A 724 5.721 0.150 -6.725 1.00 0.45 H new ATOM 0 HB3 LYS A 724 4.529 0.332 -5.453 1.00 0.45 H new ATOM 0 HG2 LYS A 724 4.238 -1.929 -5.198 1.00 1.18 H new ATOM 0 HG3 LYS A 724 4.458 -2.267 -6.904 1.00 1.18 H new ATOM 0 HD2 LYS A 724 6.366 -3.196 -5.811 1.00 1.47 H new ATOM 0 HD3 LYS A 724 6.935 -1.736 -6.595 1.00 1.47 H new ATOM 0 HE2 LYS A 724 7.811 -1.234 -4.560 1.00 1.89 H new ATOM 0 HE3 LYS A 724 6.183 -0.719 -4.166 1.00 1.89 H new ATOM 0 HZ1 LYS A 724 7.055 -2.221 -2.497 1.00 2.68 H new ATOM 0 HZ2 LYS A 724 5.727 -2.933 -3.280 1.00 2.68 H new ATOM 0 HZ3 LYS A 724 7.304 -3.432 -3.661 1.00 2.68 H new ATOM 2441 N ASP A 725 2.114 1.634 -6.347 1.00 0.38 N ATOM 2442 CA ASP A 725 0.872 2.007 -5.678 1.00 0.38 C ATOM 2443 C ASP A 725 -0.317 1.911 -6.632 1.00 0.33 C ATOM 2444 O ASP A 725 -1.418 1.533 -6.231 1.00 0.35 O ATOM 2445 CB ASP A 725 0.976 3.426 -5.118 1.00 0.43 C ATOM 2446 CG ASP A 725 0.289 3.568 -3.774 1.00 0.88 C ATOM 2447 OD1 ASP A 725 0.830 3.052 -2.773 1.00 1.51 O ATOM 2448 OD2 ASP A 725 -0.790 4.195 -3.721 1.00 1.61 O ATOM 0 H ASP A 725 2.767 2.405 -6.485 1.00 0.38 H new ATOM 0 HA ASP A 725 0.711 1.309 -4.857 1.00 0.38 H new ATOM 0 HB2 ASP A 725 2.027 3.698 -5.017 1.00 0.43 H new ATOM 0 HB3 ASP A 725 0.533 4.127 -5.826 1.00 0.43 H new ATOM 2453 N LEU A 726 -0.089 2.265 -7.892 1.00 0.31 N ATOM 2454 CA LEU A 726 -1.146 2.227 -8.903 1.00 0.30 C ATOM 2455 C LEU A 726 -1.725 0.824 -9.042 1.00 0.28 C ATOM 2456 O LEU A 726 -2.942 0.648 -9.105 1.00 0.31 O ATOM 2457 CB LEU A 726 -0.614 2.697 -10.259 1.00 0.35 C ATOM 2458 CG LEU A 726 0.459 3.784 -10.203 1.00 0.45 C ATOM 2459 CD1 LEU A 726 0.847 4.223 -11.604 1.00 1.23 C ATOM 2460 CD2 LEU A 726 -0.027 4.969 -9.382 1.00 1.19 C ATOM 0 H LEU A 726 0.816 2.581 -8.240 1.00 0.31 H new ATOM 0 HA LEU A 726 -1.937 2.901 -8.575 1.00 0.30 H new ATOM 0 HB2 LEU A 726 -0.207 1.836 -10.788 1.00 0.35 H new ATOM 0 HB3 LEU A 726 -1.452 3.068 -10.850 1.00 0.35 H new ATOM 0 HG LEU A 726 1.344 3.372 -9.718 1.00 0.45 H new ATOM 0 HD11 LEU A 726 1.612 4.997 -11.544 1.00 1.23 H new ATOM 0 HD12 LEU A 726 1.238 3.369 -12.158 1.00 1.23 H new ATOM 0 HD13 LEU A 726 -0.030 4.618 -12.117 1.00 1.23 H new ATOM 0 HD21 LEU A 726 0.749 5.734 -9.352 1.00 1.19 H new ATOM 0 HD22 LEU A 726 -0.927 5.383 -9.837 1.00 1.19 H new ATOM 0 HD23 LEU A 726 -0.252 4.641 -8.367 1.00 1.19 H new ATOM 2472 N VAL A 727 -0.847 -0.170 -9.091 1.00 0.27 N ATOM 2473 CA VAL A 727 -1.275 -1.559 -9.224 1.00 0.28 C ATOM 2474 C VAL A 727 -1.966 -2.044 -7.953 1.00 0.34 C ATOM 2475 O VAL A 727 -2.784 -2.964 -7.992 1.00 0.37 O ATOM 2476 CB VAL A 727 -0.086 -2.490 -9.543 1.00 0.29 C ATOM 2477 CG1 VAL A 727 1.009 -2.336 -8.499 1.00 0.62 C ATOM 2478 CG2 VAL A 727 -0.545 -3.939 -9.633 1.00 0.66 C ATOM 0 H VAL A 727 0.164 -0.042 -9.041 1.00 0.27 H new ATOM 0 HA VAL A 727 -1.981 -1.594 -10.054 1.00 0.28 H new ATOM 0 HB VAL A 727 0.323 -2.203 -10.512 1.00 0.29 H new ATOM 0 HG11 VAL A 727 1.839 -3.000 -8.741 1.00 0.62 H new ATOM 0 HG12 VAL A 727 1.361 -1.304 -8.490 1.00 0.62 H new ATOM 0 HG13 VAL A 727 0.613 -2.593 -7.516 1.00 0.62 H new ATOM 0 HG21 VAL A 727 0.309 -4.578 -9.859 1.00 0.66 H new ATOM 0 HG22 VAL A 727 -0.983 -4.242 -8.682 1.00 0.66 H new ATOM 0 HG23 VAL A 727 -1.290 -4.036 -10.423 1.00 0.66 H new ATOM 2488 N LYS A 728 -1.636 -1.419 -6.827 1.00 0.45 N ATOM 2489 CA LYS A 728 -2.229 -1.788 -5.547 1.00 0.56 C ATOM 2490 C LYS A 728 -3.753 -1.696 -5.603 1.00 0.64 C ATOM 2491 O LYS A 728 -4.453 -2.377 -4.854 1.00 1.03 O ATOM 2492 CB LYS A 728 -1.688 -0.890 -4.432 1.00 0.57 C ATOM 2493 CG LYS A 728 -0.958 -1.652 -3.337 1.00 0.86 C ATOM 2494 CD LYS A 728 -1.199 -1.030 -1.971 1.00 1.32 C ATOM 2495 CE LYS A 728 -0.274 -1.622 -0.919 1.00 2.05 C ATOM 2496 NZ LYS A 728 0.898 -0.743 -0.653 1.00 2.75 N ATOM 0 H LYS A 728 -0.962 -0.655 -6.775 1.00 0.45 H new ATOM 0 HA LYS A 728 -1.956 -2.822 -5.333 1.00 0.56 H new ATOM 0 HB2 LYS A 728 -1.010 -0.155 -4.866 1.00 0.57 H new ATOM 0 HB3 LYS A 728 -2.516 -0.337 -3.988 1.00 0.57 H new ATOM 0 HG2 LYS A 728 -1.292 -2.690 -3.330 1.00 0.86 H new ATOM 0 HG3 LYS A 728 0.111 -1.662 -3.550 1.00 0.86 H new ATOM 0 HD2 LYS A 728 -1.045 0.047 -2.028 1.00 1.32 H new ATOM 0 HD3 LYS A 728 -2.236 -1.188 -1.676 1.00 1.32 H new ATOM 0 HE2 LYS A 728 -0.829 -1.777 0.006 1.00 2.05 H new ATOM 0 HE3 LYS A 728 0.074 -2.600 -1.250 1.00 2.05 H new ATOM 0 HZ1 LYS A 728 1.504 -1.182 0.069 1.00 2.75 H new ATOM 0 HZ2 LYS A 728 1.442 -0.615 -1.530 1.00 2.75 H new ATOM 0 HZ3 LYS A 728 0.568 0.182 -0.312 1.00 2.75 H new