USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 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 622 MET CE :methyl 180:sc= -4.19! (180deg=-3.89!) USER MOD Set 1.2: A 663 GLN : amide:sc= -0.888 K(o=-5.1,f=-4.6) USER MOD Set 2.1: A 635 SER OG : rot -173:sc= 1.12 USER MOD Set 2.2: A 638 SER OG : rot 12:sc= 1.56 USER MOD Single : A 615 MET CE :methyl 161:sc= -0.131 (180deg=-0.621) USER MOD Single : A 617 SER OG : rot 180:sc= 0 USER MOD Single : A 623 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 624 GLN : amide:sc= -4.74! K(o=-4.7!,f=-1.6) USER MOD Single : A 626 LYS NZ :NH3+ -107:sc= -0.258 (180deg=-1.91!) USER MOD Single : A 628 MET CE :methyl -179:sc= -4.64! (180deg=-4.72!) USER MOD Single : A 639 THR OG1 : rot 180:sc= 0.0952 USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-4.7!) USER MOD Single : A 646 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.744) USER MOD Single : A 653 TYR OH : rot 133:sc= -2.95! USER MOD Single : A 657 ASN : amide:sc= -0.226 K(o=-0.23,f=-0.9) USER MOD Single : A 659 LYS NZ :NH3+ -162:sc= -0.0625 (180deg=-0.386) USER MOD Single : A 662 LYS NZ :NH3+ 155:sc= -1.01 (180deg=-1.96!) USER MOD Single : A 667 GLN : amide:sc= -2.64! K(o=-2.6!,f=-0.018) USER MOD Single : A 668 TYR OH : rot 127:sc= 0.499 USER MOD Single : A 670 LYS NZ :NH3+ -163:sc= -0.108 (180deg=-0.469) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 680 LYS NZ :NH3+ -167:sc= -0.0562 (180deg=-0.255) USER MOD Single : A 681 LYS NZ :NH3+ -168:sc= -0.0355 (180deg=-0.183) USER MOD Single : A 682 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 613 -15.303 15.385 -0.119 1.00 7.65 N ATOM 2 CA GLY A 613 -14.050 15.067 -0.857 1.00 7.14 C ATOM 3 C GLY A 613 -12.979 14.484 0.044 1.00 6.25 C ATOM 4 O GLY A 613 -12.988 13.288 0.334 1.00 6.35 O ATOM 0 HA2 GLY A 613 -14.272 14.360 -1.657 1.00 7.14 H new ATOM 0 HA3 GLY A 613 -13.670 15.973 -1.329 1.00 7.14 H new ATOM 10 N ALA A 614 -12.056 15.333 0.487 1.00 5.65 N ATOM 11 CA ALA A 614 -10.972 14.897 1.361 1.00 5.04 C ATOM 12 C ALA A 614 -11.508 14.423 2.707 1.00 3.85 C ATOM 13 O ALA A 614 -12.335 15.094 3.326 1.00 3.77 O ATOM 14 CB ALA A 614 -9.968 16.022 1.557 1.00 5.87 C ATOM 0 H ALA A 614 -12.037 16.326 0.255 1.00 5.65 H new ATOM 0 HA ALA A 614 -10.470 14.056 0.884 1.00 5.04 H new ATOM 0 HB1 ALA A 614 -9.165 15.683 2.211 1.00 5.87 H new ATOM 0 HB2 ALA A 614 -9.552 16.311 0.592 1.00 5.87 H new ATOM 0 HB3 ALA A 614 -10.466 16.880 2.009 1.00 5.87 H new ATOM 20 N MET A 615 -11.031 13.264 3.153 1.00 3.30 N ATOM 21 CA MET A 615 -11.459 12.695 4.427 1.00 2.48 C ATOM 22 C MET A 615 -12.976 12.525 4.465 1.00 1.76 C ATOM 23 O MET A 615 -13.608 12.723 5.503 1.00 2.31 O ATOM 24 CB MET A 615 -11.000 13.582 5.587 1.00 3.11 C ATOM 25 CG MET A 615 -9.503 13.848 5.596 1.00 3.96 C ATOM 26 SD MET A 615 -8.990 14.892 6.974 1.00 4.68 S ATOM 27 CE MET A 615 -9.397 13.841 8.365 1.00 5.19 C ATOM 0 H MET A 615 -10.347 12.700 2.650 1.00 3.30 H new ATOM 0 HA MET A 615 -11.000 11.712 4.530 1.00 2.48 H new ATOM 0 HB2 MET A 615 -11.529 14.534 5.537 1.00 3.11 H new ATOM 0 HB3 MET A 615 -11.282 13.110 6.528 1.00 3.11 H new ATOM 0 HG2 MET A 615 -8.970 12.899 5.647 1.00 3.96 H new ATOM 0 HG3 MET A 615 -9.217 14.325 4.658 1.00 3.96 H new ATOM 0 HE1 MET A 615 -8.850 14.176 9.246 1.00 5.19 H new ATOM 0 HE2 MET A 615 -10.468 13.895 8.561 1.00 5.19 H new ATOM 0 HE3 MET A 615 -9.122 12.812 8.136 1.00 5.19 H new ATOM 37 N GLY A 616 -13.552 12.154 3.325 1.00 1.25 N ATOM 38 CA GLY A 616 -14.989 11.964 3.245 1.00 1.04 C ATOM 39 C GLY A 616 -15.385 10.500 3.246 1.00 0.93 C ATOM 40 O GLY A 616 -15.232 9.811 4.255 1.00 1.81 O ATOM 0 H GLY A 616 -13.049 11.982 2.455 1.00 1.25 H new ATOM 0 HA2 GLY A 616 -15.465 12.466 4.087 1.00 1.04 H new ATOM 0 HA3 GLY A 616 -15.364 12.437 2.338 1.00 1.04 H new ATOM 44 N SER A 617 -15.895 10.027 2.113 1.00 0.86 N ATOM 45 CA SER A 617 -16.319 8.637 1.985 1.00 0.73 C ATOM 46 C SER A 617 -15.315 7.833 1.163 1.00 0.57 C ATOM 47 O SER A 617 -14.750 6.850 1.644 1.00 0.63 O ATOM 48 CB SER A 617 -17.703 8.564 1.336 1.00 0.87 C ATOM 49 OG SER A 617 -18.143 7.222 1.225 1.00 1.42 O ATOM 0 H SER A 617 -16.025 10.586 1.270 1.00 0.86 H new ATOM 0 HA SER A 617 -16.369 8.205 2.984 1.00 0.73 H new ATOM 0 HB2 SER A 617 -18.417 9.136 1.928 1.00 0.87 H new ATOM 0 HB3 SER A 617 -17.669 9.022 0.348 1.00 0.87 H new ATOM 0 HG SER A 617 -19.030 7.202 0.809 1.00 1.42 H new ATOM 55 N LEU A 618 -15.098 8.256 -0.079 1.00 0.47 N ATOM 56 CA LEU A 618 -14.164 7.573 -0.966 1.00 0.34 C ATOM 57 C LEU A 618 -12.727 7.733 -0.480 1.00 0.28 C ATOM 58 O LEU A 618 -11.982 6.757 -0.391 1.00 0.27 O ATOM 59 CB LEU A 618 -14.292 8.106 -2.394 1.00 0.37 C ATOM 60 CG LEU A 618 -13.287 7.526 -3.392 1.00 0.40 C ATOM 61 CD1 LEU A 618 -13.507 6.032 -3.572 1.00 0.47 C ATOM 62 CD2 LEU A 618 -13.391 8.246 -4.725 1.00 0.53 C ATOM 0 H LEU A 618 -15.556 9.068 -0.493 1.00 0.47 H new ATOM 0 HA LEU A 618 -14.415 6.512 -0.958 1.00 0.34 H new ATOM 0 HB2 LEU A 618 -15.300 7.899 -2.754 1.00 0.37 H new ATOM 0 HB3 LEU A 618 -14.177 9.190 -2.373 1.00 0.37 H new ATOM 0 HG LEU A 618 -12.283 7.675 -2.995 1.00 0.40 H new ATOM 0 HD11 LEU A 618 -12.782 5.641 -4.286 1.00 0.47 H new ATOM 0 HD12 LEU A 618 -13.382 5.528 -2.614 1.00 0.47 H new ATOM 0 HD13 LEU A 618 -14.515 5.855 -3.946 1.00 0.47 H new ATOM 0 HD21 LEU A 618 -12.670 7.823 -5.424 1.00 0.53 H new ATOM 0 HD22 LEU A 618 -14.398 8.127 -5.125 1.00 0.53 H new ATOM 0 HD23 LEU A 618 -13.180 9.306 -4.583 1.00 0.53 H new ATOM 74 N GLU A 619 -12.341 8.970 -0.176 1.00 0.30 N ATOM 75 CA GLU A 619 -10.991 9.250 0.303 1.00 0.29 C ATOM 76 C GLU A 619 -10.667 8.360 1.498 1.00 0.25 C ATOM 77 O GLU A 619 -9.586 7.770 1.578 1.00 0.24 O ATOM 78 CB GLU A 619 -10.858 10.726 0.688 1.00 0.37 C ATOM 79 CG GLU A 619 -9.422 11.230 0.719 1.00 1.10 C ATOM 80 CD GLU A 619 -8.588 10.570 1.800 1.00 1.93 C ATOM 81 OE1 GLU A 619 -8.764 10.923 2.986 1.00 2.55 O ATOM 82 OE2 GLU A 619 -7.760 9.698 1.462 1.00 2.45 O ATOM 0 H GLU A 619 -12.942 9.791 -0.253 1.00 0.30 H new ATOM 0 HA GLU A 619 -10.283 9.037 -0.497 1.00 0.29 H new ATOM 0 HB2 GLU A 619 -11.429 11.328 -0.019 1.00 0.37 H new ATOM 0 HB3 GLU A 619 -11.307 10.877 1.670 1.00 0.37 H new ATOM 0 HG2 GLU A 619 -8.958 11.050 -0.251 1.00 1.10 H new ATOM 0 HG3 GLU A 619 -9.424 12.309 0.877 1.00 1.10 H new ATOM 89 N ALA A 620 -11.619 8.261 2.421 1.00 0.26 N ATOM 90 CA ALA A 620 -11.449 7.438 3.603 1.00 0.26 C ATOM 91 C ALA A 620 -11.078 6.022 3.201 1.00 0.22 C ATOM 92 O ALA A 620 -10.215 5.404 3.812 1.00 0.25 O ATOM 93 CB ALA A 620 -12.719 7.437 4.440 1.00 0.30 C ATOM 0 H ALA A 620 -12.516 8.743 2.368 1.00 0.26 H new ATOM 0 HA ALA A 620 -10.643 7.855 4.206 1.00 0.26 H new ATOM 0 HB1 ALA A 620 -12.573 6.814 5.323 1.00 0.30 H new ATOM 0 HB2 ALA A 620 -12.952 8.456 4.749 1.00 0.30 H new ATOM 0 HB3 ALA A 620 -13.544 7.040 3.849 1.00 0.30 H new ATOM 99 N ARG A 621 -11.721 5.524 2.151 1.00 0.21 N ATOM 100 CA ARG A 621 -11.450 4.183 1.664 1.00 0.21 C ATOM 101 C ARG A 621 -9.986 4.080 1.259 1.00 0.19 C ATOM 102 O ARG A 621 -9.305 3.102 1.575 1.00 0.20 O ATOM 103 CB ARG A 621 -12.356 3.862 0.476 1.00 0.24 C ATOM 104 CG ARG A 621 -12.597 2.376 0.274 1.00 0.31 C ATOM 105 CD ARG A 621 -13.572 2.110 -0.865 1.00 0.25 C ATOM 106 NE ARG A 621 -14.306 3.311 -1.258 1.00 0.33 N ATOM 107 CZ ARG A 621 -15.603 3.323 -1.545 1.00 0.39 C ATOM 108 NH1 ARG A 621 -16.313 2.205 -1.478 1.00 0.52 N ATOM 109 NH2 ARG A 621 -16.194 4.458 -1.898 1.00 0.58 N ATOM 0 H ARG A 621 -12.432 6.030 1.623 1.00 0.21 H new ATOM 0 HA ARG A 621 -11.653 3.461 2.455 1.00 0.21 H new ATOM 0 HB2 ARG A 621 -13.315 4.360 0.617 1.00 0.24 H new ATOM 0 HB3 ARG A 621 -11.912 4.275 -0.430 1.00 0.24 H new ATOM 0 HG2 ARG A 621 -11.650 1.879 0.065 1.00 0.31 H new ATOM 0 HG3 ARG A 621 -12.987 1.943 1.195 1.00 0.31 H new ATOM 0 HD2 ARG A 621 -13.026 1.723 -1.725 1.00 0.25 H new ATOM 0 HD3 ARG A 621 -14.279 1.337 -0.562 1.00 0.25 H new ATOM 0 HE ARG A 621 -13.793 4.191 -1.315 1.00 0.33 H new ATOM 0 HH11 ARG A 621 -15.864 1.331 -1.205 1.00 0.52 H new ATOM 0 HH12 ARG A 621 -17.309 2.219 -1.699 1.00 0.52 H new ATOM 0 HH21 ARG A 621 -15.652 5.321 -1.949 1.00 0.58 H new ATOM 0 HH22 ARG A 621 -17.190 4.467 -2.118 1.00 0.58 H new ATOM 123 N MET A 622 -9.509 5.111 0.568 1.00 0.19 N ATOM 124 CA MET A 622 -8.122 5.161 0.134 1.00 0.21 C ATOM 125 C MET A 622 -7.213 5.458 1.319 1.00 0.21 C ATOM 126 O MET A 622 -5.988 5.430 1.205 1.00 0.26 O ATOM 127 CB MET A 622 -7.932 6.232 -0.940 1.00 0.25 C ATOM 128 CG MET A 622 -8.611 5.907 -2.258 1.00 0.69 C ATOM 129 SD MET A 622 -8.172 7.073 -3.560 1.00 0.67 S ATOM 130 CE MET A 622 -6.399 6.829 -3.635 1.00 0.55 C ATOM 0 H MET A 622 -10.065 5.922 0.298 1.00 0.19 H new ATOM 0 HA MET A 622 -7.860 4.191 -0.287 1.00 0.21 H new ATOM 0 HB2 MET A 622 -8.319 7.180 -0.567 1.00 0.25 H new ATOM 0 HB3 MET A 622 -6.865 6.371 -1.116 1.00 0.25 H new ATOM 0 HG2 MET A 622 -8.334 4.899 -2.568 1.00 0.69 H new ATOM 0 HG3 MET A 622 -9.692 5.912 -2.118 1.00 0.69 H new ATOM 0 HE1 MET A 622 -5.974 7.482 -4.397 1.00 0.55 H new ATOM 0 HE2 MET A 622 -5.958 7.066 -2.667 1.00 0.55 H new ATOM 0 HE3 MET A 622 -6.185 5.790 -3.886 1.00 0.55 H new ATOM 140 N LYS A 623 -7.836 5.740 2.457 1.00 0.22 N ATOM 141 CA LYS A 623 -7.108 6.047 3.680 1.00 0.27 C ATOM 142 C LYS A 623 -6.875 4.764 4.455 1.00 0.28 C ATOM 143 O LYS A 623 -5.751 4.461 4.855 1.00 0.34 O ATOM 144 CB LYS A 623 -7.888 7.052 4.533 1.00 0.32 C ATOM 145 CG LYS A 623 -7.039 8.191 5.081 1.00 0.76 C ATOM 146 CD LYS A 623 -6.147 7.736 6.228 1.00 1.16 C ATOM 147 CE LYS A 623 -4.772 7.312 5.737 1.00 1.97 C ATOM 148 NZ LYS A 623 -3.876 6.928 6.861 1.00 2.65 N ATOM 0 H LYS A 623 -8.851 5.762 2.557 1.00 0.22 H new ATOM 0 HA LYS A 623 -6.148 6.496 3.424 1.00 0.27 H new ATOM 0 HB2 LYS A 623 -8.696 7.471 3.934 1.00 0.32 H new ATOM 0 HB3 LYS A 623 -8.350 6.524 5.367 1.00 0.32 H new ATOM 0 HG2 LYS A 623 -6.421 8.600 4.281 1.00 0.76 H new ATOM 0 HG3 LYS A 623 -7.689 8.995 5.425 1.00 0.76 H new ATOM 0 HD2 LYS A 623 -6.042 8.545 6.950 1.00 1.16 H new ATOM 0 HD3 LYS A 623 -6.620 6.904 6.749 1.00 1.16 H new ATOM 0 HE2 LYS A 623 -4.875 6.471 5.051 1.00 1.97 H new ATOM 0 HE3 LYS A 623 -4.319 8.129 5.175 1.00 1.97 H new ATOM 0 HZ1 LYS A 623 -2.949 6.645 6.485 1.00 2.65 H new ATOM 0 HZ2 LYS A 623 -3.757 7.738 7.502 1.00 2.65 H new ATOM 0 HZ3 LYS A 623 -4.295 6.132 7.383 1.00 2.65 H new ATOM 162 N GLN A 624 -7.950 4.010 4.662 1.00 0.27 N ATOM 163 CA GLN A 624 -7.853 2.741 5.359 1.00 0.31 C ATOM 164 C GLN A 624 -6.934 1.811 4.588 1.00 0.24 C ATOM 165 O GLN A 624 -6.288 0.950 5.175 1.00 0.25 O ATOM 166 CB GLN A 624 -9.231 2.096 5.532 1.00 0.40 C ATOM 167 CG GLN A 624 -9.917 2.464 6.839 1.00 0.97 C ATOM 168 CD GLN A 624 -10.607 3.811 6.781 1.00 1.17 C ATOM 169 OE1 GLN A 624 -10.648 4.545 7.769 1.00 2.07 O ATOM 170 NE2 GLN A 624 -11.171 4.134 5.625 1.00 0.75 N ATOM 0 H GLN A 624 -8.891 4.257 4.357 1.00 0.27 H new ATOM 0 HA GLN A 624 -7.443 2.922 6.353 1.00 0.31 H new ATOM 0 HB2 GLN A 624 -9.869 2.394 4.700 1.00 0.40 H new ATOM 0 HB3 GLN A 624 -9.125 1.012 5.480 1.00 0.40 H new ATOM 0 HG2 GLN A 624 -10.649 1.696 7.088 1.00 0.97 H new ATOM 0 HG3 GLN A 624 -9.179 2.473 7.641 1.00 0.97 H new ATOM 0 HE21 GLN A 624 -11.112 3.495 4.832 1.00 0.75 H new ATOM 0 HE22 GLN A 624 -11.664 5.022 5.528 1.00 0.75 H new ATOM 179 N PHE A 625 -6.866 2.008 3.268 1.00 0.19 N ATOM 180 CA PHE A 625 -6.018 1.189 2.417 1.00 0.16 C ATOM 181 C PHE A 625 -4.571 1.641 2.521 1.00 0.12 C ATOM 182 O PHE A 625 -3.670 0.826 2.715 1.00 0.16 O ATOM 183 CB PHE A 625 -6.483 1.256 0.964 1.00 0.18 C ATOM 184 CG PHE A 625 -6.407 -0.064 0.257 1.00 0.19 C ATOM 185 CD1 PHE A 625 -7.457 -0.965 0.320 1.00 0.25 C ATOM 186 CD2 PHE A 625 -5.284 -0.399 -0.478 1.00 0.41 C ATOM 187 CE1 PHE A 625 -7.385 -2.178 -0.336 1.00 0.28 C ATOM 188 CE2 PHE A 625 -5.205 -1.610 -1.136 1.00 0.45 C ATOM 189 CZ PHE A 625 -6.278 -2.516 -1.040 1.00 0.28 C ATOM 0 H PHE A 625 -7.390 2.729 2.772 1.00 0.19 H new ATOM 0 HA PHE A 625 -6.092 0.156 2.757 1.00 0.16 H new ATOM 0 HB2 PHE A 625 -7.511 1.618 0.935 1.00 0.18 H new ATOM 0 HB3 PHE A 625 -5.874 1.984 0.428 1.00 0.18 H new ATOM 0 HD1 PHE A 625 -8.341 -0.716 0.888 1.00 0.25 H new ATOM 0 HD2 PHE A 625 -4.459 0.295 -0.538 1.00 0.41 H new ATOM 0 HE1 PHE A 625 -8.218 -2.863 -0.287 1.00 0.28 H new ATOM 0 HE2 PHE A 625 -4.330 -1.859 -1.718 1.00 0.45 H new ATOM 0 HZ PHE A 625 -6.219 -3.478 -1.526 1.00 0.28 H new ATOM 199 N LYS A 626 -4.351 2.944 2.385 1.00 0.16 N ATOM 200 CA LYS A 626 -3.008 3.491 2.487 1.00 0.23 C ATOM 201 C LYS A 626 -2.397 3.074 3.822 1.00 0.25 C ATOM 202 O LYS A 626 -1.181 2.913 3.948 1.00 0.30 O ATOM 203 CB LYS A 626 -3.036 5.017 2.372 1.00 0.32 C ATOM 204 CG LYS A 626 -1.707 5.620 1.944 1.00 0.39 C ATOM 205 CD LYS A 626 -1.800 6.250 0.563 1.00 1.16 C ATOM 206 CE LYS A 626 -1.965 5.196 -0.520 1.00 2.12 C ATOM 207 NZ LYS A 626 -2.237 5.805 -1.851 1.00 3.13 N ATOM 0 H LYS A 626 -5.080 3.634 2.205 1.00 0.16 H new ATOM 0 HA LYS A 626 -2.401 3.102 1.670 1.00 0.23 H new ATOM 0 HB2 LYS A 626 -3.804 5.305 1.654 1.00 0.32 H new ATOM 0 HB3 LYS A 626 -3.324 5.440 3.334 1.00 0.32 H new ATOM 0 HG2 LYS A 626 -1.398 6.373 2.669 1.00 0.39 H new ATOM 0 HG3 LYS A 626 -0.939 4.846 1.941 1.00 0.39 H new ATOM 0 HD2 LYS A 626 -2.644 6.940 0.533 1.00 1.16 H new ATOM 0 HD3 LYS A 626 -0.902 6.836 0.368 1.00 1.16 H new ATOM 0 HE2 LYS A 626 -1.061 4.589 -0.576 1.00 2.12 H new ATOM 0 HE3 LYS A 626 -2.783 4.526 -0.253 1.00 2.12 H new ATOM 0 HZ1 LYS A 626 -3.234 5.652 -2.105 1.00 3.13 H new ATOM 0 HZ2 LYS A 626 -2.042 6.826 -1.812 1.00 3.13 H new ATOM 0 HZ3 LYS A 626 -1.625 5.363 -2.567 1.00 3.13 H new ATOM 221 N ASP A 627 -3.268 2.890 4.814 1.00 0.33 N ATOM 222 CA ASP A 627 -2.851 2.483 6.150 1.00 0.40 C ATOM 223 C ASP A 627 -2.317 1.056 6.136 1.00 0.32 C ATOM 224 O ASP A 627 -1.174 0.817 6.513 1.00 0.29 O ATOM 225 CB ASP A 627 -4.021 2.594 7.130 1.00 0.55 C ATOM 226 CG ASP A 627 -3.647 2.143 8.528 1.00 0.90 C ATOM 227 OD1 ASP A 627 -3.070 2.955 9.281 1.00 0.97 O ATOM 228 OD2 ASP A 627 -3.929 0.975 8.870 1.00 1.36 O ATOM 0 H ASP A 627 -4.275 3.018 4.713 1.00 0.33 H new ATOM 0 HA ASP A 627 -2.053 3.150 6.475 1.00 0.40 H new ATOM 0 HB2 ASP A 627 -4.366 3.627 7.164 1.00 0.55 H new ATOM 0 HB3 ASP A 627 -4.854 1.992 6.767 1.00 0.55 H new ATOM 233 N MET A 628 -3.157 0.111 5.711 1.00 0.35 N ATOM 234 CA MET A 628 -2.753 -1.296 5.639 1.00 0.36 C ATOM 235 C MET A 628 -1.425 -1.420 4.910 1.00 0.28 C ATOM 236 O MET A 628 -0.571 -2.227 5.276 1.00 0.32 O ATOM 237 CB MET A 628 -3.801 -2.149 4.907 1.00 0.47 C ATOM 238 CG MET A 628 -5.033 -1.399 4.488 1.00 0.69 C ATOM 239 SD MET A 628 -6.208 -2.432 3.592 1.00 0.96 S ATOM 240 CE MET A 628 -5.197 -2.993 2.225 1.00 0.38 C ATOM 0 H MET A 628 -4.116 0.291 5.413 1.00 0.35 H new ATOM 0 HA MET A 628 -2.658 -1.661 6.662 1.00 0.36 H new ATOM 0 HB2 MET A 628 -3.340 -2.588 4.022 1.00 0.47 H new ATOM 0 HB3 MET A 628 -4.096 -2.974 5.555 1.00 0.47 H new ATOM 0 HG2 MET A 628 -5.519 -0.986 5.372 1.00 0.69 H new ATOM 0 HG3 MET A 628 -4.744 -0.556 3.860 1.00 0.69 H new ATOM 0 HE1 MET A 628 -5.792 -3.630 1.570 1.00 0.38 H new ATOM 0 HE2 MET A 628 -4.835 -2.132 1.663 1.00 0.38 H new ATOM 0 HE3 MET A 628 -4.348 -3.559 2.609 1.00 0.38 H new ATOM 250 N LEU A 629 -1.260 -0.607 3.877 1.00 0.22 N ATOM 251 CA LEU A 629 -0.047 -0.619 3.086 1.00 0.26 C ATOM 252 C LEU A 629 1.163 -0.239 3.931 1.00 0.31 C ATOM 253 O LEU A 629 2.236 -0.824 3.791 1.00 0.45 O ATOM 254 CB LEU A 629 -0.195 0.332 1.899 1.00 0.28 C ATOM 255 CG LEU A 629 -0.725 -0.307 0.609 1.00 0.44 C ATOM 256 CD1 LEU A 629 -2.012 -1.079 0.867 1.00 1.01 C ATOM 257 CD2 LEU A 629 -0.958 0.759 -0.446 1.00 1.03 C ATOM 0 H LEU A 629 -1.957 0.071 3.569 1.00 0.22 H new ATOM 0 HA LEU A 629 0.115 -1.631 2.714 1.00 0.26 H new ATOM 0 HB2 LEU A 629 -0.865 1.143 2.185 1.00 0.28 H new ATOM 0 HB3 LEU A 629 0.776 0.780 1.690 1.00 0.28 H new ATOM 0 HG LEU A 629 0.025 -1.010 0.247 1.00 0.44 H new ATOM 0 HD11 LEU A 629 -2.364 -1.521 -0.065 1.00 1.01 H new ATOM 0 HD12 LEU A 629 -1.823 -1.869 1.594 1.00 1.01 H new ATOM 0 HD13 LEU A 629 -2.771 -0.401 1.257 1.00 1.01 H new ATOM 0 HD21 LEU A 629 -1.334 0.293 -1.357 1.00 1.03 H new ATOM 0 HD22 LEU A 629 -1.688 1.480 -0.079 1.00 1.03 H new ATOM 0 HD23 LEU A 629 -0.019 1.270 -0.661 1.00 1.03 H new ATOM 269 N LEU A 630 0.983 0.739 4.811 1.00 0.29 N ATOM 270 CA LEU A 630 2.063 1.194 5.678 1.00 0.38 C ATOM 271 C LEU A 630 2.071 0.432 7.003 1.00 0.40 C ATOM 272 O LEU A 630 2.914 0.679 7.866 1.00 0.58 O ATOM 273 CB LEU A 630 1.930 2.693 5.936 1.00 0.44 C ATOM 274 CG LEU A 630 3.137 3.367 6.602 1.00 0.53 C ATOM 275 CD1 LEU A 630 4.449 2.724 6.169 1.00 1.22 C ATOM 276 CD2 LEU A 630 3.147 4.840 6.258 1.00 1.40 C ATOM 0 H LEU A 630 0.100 1.232 4.943 1.00 0.29 H new ATOM 0 HA LEU A 630 3.008 0.997 5.171 1.00 0.38 H new ATOM 0 HB2 LEU A 630 1.739 3.190 4.985 1.00 0.44 H new ATOM 0 HB3 LEU A 630 1.054 2.858 6.563 1.00 0.44 H new ATOM 0 HG LEU A 630 3.045 3.239 7.680 1.00 0.53 H new ATOM 0 HD11 LEU A 630 5.281 3.228 6.661 1.00 1.22 H new ATOM 0 HD12 LEU A 630 4.447 1.670 6.448 1.00 1.22 H new ATOM 0 HD13 LEU A 630 4.559 2.813 5.088 1.00 1.22 H new ATOM 0 HD21 LEU A 630 4.004 5.318 6.731 1.00 1.40 H new ATOM 0 HD22 LEU A 630 3.215 4.961 5.177 1.00 1.40 H new ATOM 0 HD23 LEU A 630 2.229 5.304 6.618 1.00 1.40 H new ATOM 288 N GLU A 631 1.135 -0.501 7.157 1.00 0.31 N ATOM 289 CA GLU A 631 1.033 -1.283 8.385 1.00 0.37 C ATOM 290 C GLU A 631 1.678 -2.658 8.226 1.00 0.31 C ATOM 291 O GLU A 631 2.675 -2.959 8.882 1.00 0.38 O ATOM 292 CB GLU A 631 -0.430 -1.436 8.800 1.00 0.48 C ATOM 293 CG GLU A 631 -0.632 -1.400 10.304 1.00 0.84 C ATOM 294 CD GLU A 631 -2.069 -1.660 10.711 1.00 1.13 C ATOM 295 OE1 GLU A 631 -2.863 -0.696 10.738 1.00 1.76 O ATOM 296 OE2 GLU A 631 -2.400 -2.828 11.004 1.00 1.33 O ATOM 0 H GLU A 631 0.439 -0.733 6.449 1.00 0.31 H new ATOM 0 HA GLU A 631 1.571 -0.745 9.165 1.00 0.37 H new ATOM 0 HB2 GLU A 631 -1.016 -0.639 8.342 1.00 0.48 H new ATOM 0 HB3 GLU A 631 -0.815 -2.379 8.411 1.00 0.48 H new ATOM 0 HG2 GLU A 631 0.013 -2.145 10.770 1.00 0.84 H new ATOM 0 HG3 GLU A 631 -0.322 -0.427 10.684 1.00 0.84 H new ATOM 303 N ARG A 632 1.110 -3.492 7.356 1.00 0.27 N ATOM 304 CA ARG A 632 1.650 -4.827 7.131 1.00 0.32 C ATOM 305 C ARG A 632 2.912 -4.731 6.296 1.00 0.28 C ATOM 306 O ARG A 632 3.692 -5.679 6.201 1.00 0.59 O ATOM 307 CB ARG A 632 0.633 -5.723 6.417 1.00 0.47 C ATOM 308 CG ARG A 632 -0.696 -5.845 7.132 1.00 0.69 C ATOM 309 CD ARG A 632 -1.519 -4.579 6.987 1.00 0.63 C ATOM 310 NE ARG A 632 -2.953 -4.840 7.066 1.00 0.98 N ATOM 311 CZ ARG A 632 -3.803 -4.079 7.747 1.00 1.37 C ATOM 312 NH1 ARG A 632 -3.366 -3.013 8.403 1.00 2.11 N ATOM 313 NH2 ARG A 632 -5.090 -4.383 7.771 1.00 1.82 N ATOM 0 H ARG A 632 0.284 -3.268 6.801 1.00 0.27 H new ATOM 0 HA ARG A 632 1.877 -5.270 8.101 1.00 0.32 H new ATOM 0 HB2 ARG A 632 0.459 -5.330 5.415 1.00 0.47 H new ATOM 0 HB3 ARG A 632 1.062 -6.718 6.299 1.00 0.47 H new ATOM 0 HG2 ARG A 632 -1.252 -6.691 6.728 1.00 0.69 H new ATOM 0 HG3 ARG A 632 -0.525 -6.051 8.189 1.00 0.69 H new ATOM 0 HD2 ARG A 632 -1.237 -3.873 7.768 1.00 0.63 H new ATOM 0 HD3 ARG A 632 -1.290 -4.106 6.032 1.00 0.63 H new ATOM 0 HE ARG A 632 -3.323 -5.651 6.571 1.00 0.98 H new ATOM 0 HH11 ARG A 632 -2.374 -2.775 8.386 1.00 2.11 H new ATOM 0 HH12 ARG A 632 -4.021 -2.431 8.925 1.00 2.11 H new ATOM 0 HH21 ARG A 632 -5.430 -5.202 7.267 1.00 1.82 H new ATOM 0 HH22 ARG A 632 -5.742 -3.799 8.294 1.00 1.82 H new ATOM 327 N GLY A 633 3.098 -3.565 5.692 1.00 0.37 N ATOM 328 CA GLY A 633 4.253 -3.333 4.861 1.00 0.45 C ATOM 329 C GLY A 633 4.104 -3.945 3.491 1.00 0.39 C ATOM 330 O GLY A 633 4.587 -5.047 3.240 1.00 0.41 O ATOM 0 H GLY A 633 2.461 -2.772 5.767 1.00 0.37 H new ATOM 0 HA2 GLY A 633 4.417 -2.260 4.761 1.00 0.45 H new ATOM 0 HA3 GLY A 633 5.137 -3.746 5.347 1.00 0.45 H new ATOM 334 N VAL A 634 3.411 -3.232 2.613 1.00 0.32 N ATOM 335 CA VAL A 634 3.210 -3.674 1.250 1.00 0.27 C ATOM 336 C VAL A 634 4.477 -3.372 0.465 1.00 0.32 C ATOM 337 O VAL A 634 4.485 -2.566 -0.465 1.00 0.57 O ATOM 338 CB VAL A 634 1.967 -2.991 0.621 1.00 0.20 C ATOM 339 CG1 VAL A 634 1.902 -3.200 -0.885 1.00 0.27 C ATOM 340 CG2 VAL A 634 0.700 -3.515 1.278 1.00 0.23 C ATOM 0 H VAL A 634 2.976 -2.335 2.830 1.00 0.32 H new ATOM 0 HA VAL A 634 3.016 -4.746 1.227 1.00 0.27 H new ATOM 0 HB VAL A 634 2.054 -1.919 0.798 1.00 0.20 H new ATOM 0 HG11 VAL A 634 1.016 -2.705 -1.283 1.00 0.27 H new ATOM 0 HG12 VAL A 634 2.793 -2.778 -1.350 1.00 0.27 H new ATOM 0 HG13 VAL A 634 1.850 -4.267 -1.102 1.00 0.27 H new ATOM 0 HG21 VAL A 634 -0.168 -3.031 0.831 1.00 0.23 H new ATOM 0 HG22 VAL A 634 0.632 -4.593 1.129 1.00 0.23 H new ATOM 0 HG23 VAL A 634 0.727 -3.298 2.346 1.00 0.23 H new ATOM 350 N SER A 635 5.559 -4.014 0.916 1.00 0.20 N ATOM 351 CA SER A 635 6.890 -3.878 0.336 1.00 0.21 C ATOM 352 C SER A 635 6.905 -2.965 -0.879 1.00 0.21 C ATOM 353 O SER A 635 6.463 -3.342 -1.964 1.00 0.24 O ATOM 354 CB SER A 635 7.423 -5.251 -0.032 1.00 0.25 C ATOM 355 OG SER A 635 8.653 -5.151 -0.730 1.00 0.26 O ATOM 0 H SER A 635 5.529 -4.654 1.710 1.00 0.20 H new ATOM 0 HA SER A 635 7.532 -3.416 1.086 1.00 0.21 H new ATOM 0 HB2 SER A 635 7.561 -5.845 0.871 1.00 0.25 H new ATOM 0 HB3 SER A 635 6.693 -5.775 -0.649 1.00 0.25 H new ATOM 0 HG SER A 635 8.921 -6.038 -1.049 1.00 0.26 H new ATOM 361 N ALA A 636 7.427 -1.765 -0.682 1.00 0.22 N ATOM 362 CA ALA A 636 7.506 -0.772 -1.740 1.00 0.25 C ATOM 363 C ALA A 636 8.285 -1.293 -2.949 1.00 0.26 C ATOM 364 O ALA A 636 8.381 -0.617 -3.973 1.00 0.39 O ATOM 365 CB ALA A 636 8.135 0.495 -1.188 1.00 0.29 C ATOM 0 H ALA A 636 7.806 -1.453 0.212 1.00 0.22 H new ATOM 0 HA ALA A 636 6.497 -0.552 -2.090 1.00 0.25 H new ATOM 0 HB1 ALA A 636 8.197 1.244 -1.977 1.00 0.29 H new ATOM 0 HB2 ALA A 636 7.524 0.879 -0.371 1.00 0.29 H new ATOM 0 HB3 ALA A 636 9.136 0.273 -0.819 1.00 0.29 H new ATOM 371 N PHE A 637 8.838 -2.499 -2.824 1.00 0.25 N ATOM 372 CA PHE A 637 9.595 -3.113 -3.909 1.00 0.25 C ATOM 373 C PHE A 637 9.372 -4.628 -3.950 1.00 0.22 C ATOM 374 O PHE A 637 10.295 -5.410 -3.721 1.00 0.29 O ATOM 375 CB PHE A 637 11.088 -2.797 -3.760 1.00 0.29 C ATOM 376 CG PHE A 637 11.539 -2.653 -2.332 1.00 0.30 C ATOM 377 CD1 PHE A 637 11.796 -3.775 -1.555 1.00 0.40 C ATOM 378 CD2 PHE A 637 11.706 -1.399 -1.767 1.00 0.36 C ATOM 379 CE1 PHE A 637 12.211 -3.644 -0.243 1.00 0.47 C ATOM 380 CE2 PHE A 637 12.120 -1.264 -0.456 1.00 0.39 C ATOM 381 CZ PHE A 637 12.372 -2.387 0.306 1.00 0.41 C ATOM 0 H PHE A 637 8.775 -3.069 -1.980 1.00 0.25 H new ATOM 0 HA PHE A 637 9.238 -2.695 -4.850 1.00 0.25 H new ATOM 0 HB2 PHE A 637 11.667 -3.589 -4.236 1.00 0.29 H new ATOM 0 HB3 PHE A 637 11.310 -1.874 -4.296 1.00 0.29 H new ATOM 0 HD1 PHE A 637 11.670 -4.760 -1.980 1.00 0.40 H new ATOM 0 HD2 PHE A 637 11.510 -0.517 -2.358 1.00 0.36 H new ATOM 0 HE1 PHE A 637 12.409 -4.523 0.352 1.00 0.47 H new ATOM 0 HE2 PHE A 637 12.246 -0.281 -0.028 1.00 0.39 H new ATOM 0 HZ PHE A 637 12.695 -2.283 1.331 1.00 0.41 H new ATOM 391 N SER A 638 8.134 -5.031 -4.244 1.00 0.17 N ATOM 392 CA SER A 638 7.776 -6.448 -4.323 1.00 0.16 C ATOM 393 C SER A 638 6.577 -6.656 -5.247 1.00 0.16 C ATOM 394 O SER A 638 6.096 -5.710 -5.871 1.00 0.23 O ATOM 395 CB SER A 638 7.467 -7.000 -2.930 1.00 0.18 C ATOM 396 OG SER A 638 8.657 -7.211 -2.191 1.00 1.15 O ATOM 0 H SER A 638 7.360 -4.393 -4.432 1.00 0.17 H new ATOM 0 HA SER A 638 8.628 -6.989 -4.736 1.00 0.16 H new ATOM 0 HB2 SER A 638 6.821 -6.304 -2.395 1.00 0.18 H new ATOM 0 HB3 SER A 638 6.920 -7.938 -3.020 1.00 0.18 H new ATOM 0 HG SER A 638 9.408 -6.780 -2.650 1.00 1.15 H new ATOM 402 N THR A 639 6.097 -7.897 -5.334 1.00 0.16 N ATOM 403 CA THR A 639 4.957 -8.215 -6.187 1.00 0.18 C ATOM 404 C THR A 639 3.643 -8.043 -5.436 1.00 0.17 C ATOM 405 O THR A 639 3.515 -8.437 -4.277 1.00 0.19 O ATOM 406 CB THR A 639 5.043 -9.648 -6.741 1.00 0.22 C ATOM 407 OG1 THR A 639 3.772 -10.047 -7.271 1.00 0.29 O ATOM 408 CG2 THR A 639 5.483 -10.628 -5.665 1.00 0.22 C ATOM 0 H THR A 639 6.480 -8.694 -4.825 1.00 0.16 H new ATOM 0 HA THR A 639 4.987 -7.516 -7.023 1.00 0.18 H new ATOM 0 HB THR A 639 5.788 -9.658 -7.537 1.00 0.22 H new ATOM 0 HG1 THR A 639 3.836 -10.959 -7.623 1.00 0.29 H new ATOM 0 HG21 THR A 639 5.535 -11.632 -6.086 1.00 0.22 H new ATOM 0 HG22 THR A 639 6.466 -10.341 -5.291 1.00 0.22 H new ATOM 0 HG23 THR A 639 4.765 -10.615 -4.845 1.00 0.22 H new ATOM 416 N TRP A 640 2.670 -7.444 -6.117 1.00 0.16 N ATOM 417 CA TRP A 640 1.355 -7.187 -5.543 1.00 0.17 C ATOM 418 C TRP A 640 0.716 -8.448 -4.953 1.00 0.17 C ATOM 419 O TRP A 640 -0.207 -8.352 -4.147 1.00 0.18 O ATOM 420 CB TRP A 640 0.436 -6.575 -6.606 1.00 0.20 C ATOM 421 CG TRP A 640 -1.017 -6.623 -6.245 1.00 0.21 C ATOM 422 CD1 TRP A 640 -1.909 -7.589 -6.602 1.00 0.23 C ATOM 423 CD2 TRP A 640 -1.741 -5.680 -5.446 1.00 0.23 C ATOM 424 NE1 TRP A 640 -3.149 -7.297 -6.089 1.00 0.25 N ATOM 425 CE2 TRP A 640 -3.070 -6.133 -5.371 1.00 0.26 C ATOM 426 CE3 TRP A 640 -1.397 -4.496 -4.788 1.00 0.25 C ATOM 427 CZ2 TRP A 640 -4.055 -5.448 -4.666 1.00 0.30 C ATOM 428 CZ3 TRP A 640 -2.375 -3.816 -4.086 1.00 0.30 C ATOM 429 CH2 TRP A 640 -3.691 -4.295 -4.031 1.00 0.32 C ATOM 0 H TRP A 640 2.772 -7.124 -7.080 1.00 0.16 H new ATOM 0 HA TRP A 640 1.489 -6.484 -4.721 1.00 0.17 H new ATOM 0 HB2 TRP A 640 0.726 -5.537 -6.771 1.00 0.20 H new ATOM 0 HB3 TRP A 640 0.585 -7.101 -7.549 1.00 0.20 H new ATOM 0 HD1 TRP A 640 -1.675 -8.457 -7.201 1.00 0.23 H new ATOM 0 HE1 TRP A 640 -3.992 -7.856 -6.221 1.00 0.25 H new ATOM 0 HE3 TRP A 640 -0.386 -4.119 -4.827 1.00 0.25 H new ATOM 0 HZ2 TRP A 640 -5.070 -5.815 -4.623 1.00 0.30 H new ATOM 0 HZ3 TRP A 640 -2.121 -2.901 -3.572 1.00 0.30 H new ATOM 0 HH2 TRP A 640 -4.433 -3.741 -3.475 1.00 0.32 H new ATOM 440 N GLU A 641 1.196 -9.623 -5.347 1.00 0.18 N ATOM 441 CA GLU A 641 0.636 -10.870 -4.831 1.00 0.19 C ATOM 442 C GLU A 641 1.171 -11.174 -3.443 1.00 0.16 C ATOM 443 O GLU A 641 0.417 -11.555 -2.545 1.00 0.15 O ATOM 444 CB GLU A 641 0.922 -12.032 -5.783 1.00 0.24 C ATOM 445 CG GLU A 641 0.259 -11.881 -7.142 1.00 0.88 C ATOM 446 CD GLU A 641 -1.254 -11.861 -7.055 1.00 1.77 C ATOM 447 OE1 GLU A 641 -1.825 -10.763 -6.890 1.00 2.59 O ATOM 448 OE2 GLU A 641 -1.868 -12.946 -7.147 1.00 2.18 O ATOM 0 H GLU A 641 1.960 -9.740 -6.012 1.00 0.18 H new ATOM 0 HA GLU A 641 -0.444 -10.745 -4.759 1.00 0.19 H new ATOM 0 HB2 GLU A 641 2.000 -12.121 -5.921 1.00 0.24 H new ATOM 0 HB3 GLU A 641 0.582 -12.960 -5.323 1.00 0.24 H new ATOM 0 HG2 GLU A 641 0.604 -10.959 -7.610 1.00 0.88 H new ATOM 0 HG3 GLU A 641 0.571 -12.702 -7.787 1.00 0.88 H new ATOM 455 N LYS A 642 2.470 -11.021 -3.267 1.00 0.16 N ATOM 456 CA LYS A 642 3.064 -11.241 -1.961 1.00 0.16 C ATOM 457 C LYS A 642 2.431 -10.250 -1.003 1.00 0.15 C ATOM 458 O LYS A 642 2.058 -10.572 0.133 1.00 0.18 O ATOM 459 CB LYS A 642 4.582 -11.048 -2.010 1.00 0.17 C ATOM 460 CG LYS A 642 5.327 -12.228 -2.614 1.00 0.26 C ATOM 461 CD LYS A 642 6.814 -11.941 -2.756 1.00 1.28 C ATOM 462 CE LYS A 642 7.469 -11.678 -1.409 1.00 1.89 C ATOM 463 NZ LYS A 642 8.928 -11.407 -1.541 1.00 2.61 N ATOM 0 H LYS A 642 3.126 -10.749 -3.999 1.00 0.16 H new ATOM 0 HA LYS A 642 2.883 -12.264 -1.631 1.00 0.16 H new ATOM 0 HB2 LYS A 642 4.807 -10.152 -2.589 1.00 0.17 H new ATOM 0 HB3 LYS A 642 4.951 -10.875 -0.999 1.00 0.17 H new ATOM 0 HG2 LYS A 642 5.184 -13.108 -1.987 1.00 0.26 H new ATOM 0 HG3 LYS A 642 4.906 -12.462 -3.592 1.00 0.26 H new ATOM 0 HD2 LYS A 642 7.303 -12.787 -3.239 1.00 1.28 H new ATOM 0 HD3 LYS A 642 6.957 -11.077 -3.405 1.00 1.28 H new ATOM 0 HE2 LYS A 642 6.984 -10.827 -0.930 1.00 1.89 H new ATOM 0 HE3 LYS A 642 7.318 -12.539 -0.758 1.00 1.89 H new ATOM 0 HZ1 LYS A 642 9.335 -11.233 -0.600 1.00 2.61 H new ATOM 0 HZ2 LYS A 642 9.396 -12.229 -1.974 1.00 2.61 H new ATOM 0 HZ3 LYS A 642 9.073 -10.570 -2.141 1.00 2.61 H new ATOM 477 N GLU A 643 2.272 -9.039 -1.510 1.00 0.16 N ATOM 478 CA GLU A 643 1.673 -7.969 -0.753 1.00 0.20 C ATOM 479 C GLU A 643 0.182 -8.213 -0.602 1.00 0.15 C ATOM 480 O GLU A 643 -0.456 -7.703 0.322 1.00 0.15 O ATOM 481 CB GLU A 643 1.953 -6.634 -1.440 1.00 0.31 C ATOM 482 CG GLU A 643 3.418 -6.462 -1.826 1.00 0.36 C ATOM 483 CD GLU A 643 3.642 -5.365 -2.848 1.00 1.19 C ATOM 484 OE1 GLU A 643 3.315 -5.583 -4.031 1.00 1.68 O ATOM 485 OE2 GLU A 643 4.153 -4.293 -2.467 1.00 1.68 O ATOM 0 H GLU A 643 2.555 -8.777 -2.454 1.00 0.16 H new ATOM 0 HA GLU A 643 2.110 -7.936 0.245 1.00 0.20 H new ATOM 0 HB2 GLU A 643 1.335 -6.555 -2.334 1.00 0.31 H new ATOM 0 HB3 GLU A 643 1.659 -5.821 -0.776 1.00 0.31 H new ATOM 0 HG2 GLU A 643 3.999 -6.240 -0.931 1.00 0.36 H new ATOM 0 HG3 GLU A 643 3.795 -7.404 -2.225 1.00 0.36 H new ATOM 492 N LEU A 644 -0.361 -9.016 -1.509 1.00 0.16 N ATOM 493 CA LEU A 644 -1.772 -9.356 -1.475 1.00 0.21 C ATOM 494 C LEU A 644 -2.102 -10.005 -0.155 1.00 0.24 C ATOM 495 O LEU A 644 -2.761 -9.409 0.682 1.00 0.33 O ATOM 496 CB LEU A 644 -2.130 -10.335 -2.586 1.00 0.24 C ATOM 497 CG LEU A 644 -3.581 -10.306 -3.033 1.00 0.23 C ATOM 498 CD1 LEU A 644 -3.783 -9.251 -4.101 1.00 0.47 C ATOM 499 CD2 LEU A 644 -4.015 -11.674 -3.539 1.00 0.40 C ATOM 0 H LEU A 644 0.158 -9.443 -2.277 1.00 0.16 H new ATOM 0 HA LEU A 644 -2.340 -8.436 -1.610 1.00 0.21 H new ATOM 0 HB2 LEU A 644 -1.497 -10.128 -3.449 1.00 0.24 H new ATOM 0 HB3 LEU A 644 -1.890 -11.344 -2.250 1.00 0.24 H new ATOM 0 HG LEU A 644 -4.201 -10.050 -2.174 1.00 0.23 H new ATOM 0 HD11 LEU A 644 -4.828 -9.243 -4.411 1.00 0.47 H new ATOM 0 HD12 LEU A 644 -3.515 -8.273 -3.701 1.00 0.47 H new ATOM 0 HD13 LEU A 644 -3.151 -9.477 -4.960 1.00 0.47 H new ATOM 0 HD21 LEU A 644 -5.058 -11.631 -3.854 1.00 0.40 H new ATOM 0 HD22 LEU A 644 -3.392 -11.964 -4.385 1.00 0.40 H new ATOM 0 HD23 LEU A 644 -3.907 -12.408 -2.741 1.00 0.40 H new ATOM 511 N HIS A 645 -1.609 -11.228 0.026 1.00 0.22 N ATOM 512 CA HIS A 645 -1.871 -11.980 1.244 1.00 0.27 C ATOM 513 C HIS A 645 -1.520 -11.168 2.484 1.00 0.24 C ATOM 514 O HIS A 645 -2.226 -11.242 3.494 1.00 0.25 O ATOM 515 CB HIS A 645 -1.115 -13.313 1.243 1.00 0.32 C ATOM 516 CG HIS A 645 0.375 -13.179 1.278 1.00 0.31 C ATOM 517 ND1 HIS A 645 1.035 -12.810 2.426 1.00 0.87 N ATOM 518 CD2 HIS A 645 1.283 -13.392 0.295 1.00 1.01 C ATOM 519 CE1 HIS A 645 2.320 -12.807 2.120 1.00 0.55 C ATOM 520 NE2 HIS A 645 2.519 -13.154 0.838 1.00 0.70 N ATOM 0 H HIS A 645 -1.028 -11.716 -0.655 1.00 0.22 H new ATOM 0 HA HIS A 645 -2.940 -12.193 1.272 1.00 0.27 H new ATOM 0 HB2 HIS A 645 -1.435 -13.899 2.105 1.00 0.32 H new ATOM 0 HB3 HIS A 645 -1.396 -13.875 0.353 1.00 0.32 H new ATOM 0 HD2 HIS A 645 1.073 -13.692 -0.721 1.00 1.01 H new ATOM 0 HE1 HIS A 645 3.110 -12.557 2.813 1.00 0.55 H new ATOM 0 HE2 HIS A 645 3.417 -13.227 0.360 1.00 0.70 H new ATOM 528 N LYS A 646 -0.443 -10.387 2.412 1.00 0.21 N ATOM 529 CA LYS A 646 -0.035 -9.575 3.553 1.00 0.22 C ATOM 530 C LYS A 646 -1.195 -8.733 4.091 1.00 0.19 C ATOM 531 O LYS A 646 -1.384 -8.635 5.304 1.00 0.22 O ATOM 532 CB LYS A 646 1.159 -8.689 3.190 1.00 0.26 C ATOM 533 CG LYS A 646 2.468 -9.463 3.121 1.00 0.38 C ATOM 534 CD LYS A 646 3.682 -8.551 3.218 1.00 0.66 C ATOM 535 CE LYS A 646 3.925 -7.798 1.920 1.00 1.85 C ATOM 536 NZ LYS A 646 5.310 -7.256 1.846 1.00 2.51 N ATOM 0 H LYS A 646 0.153 -10.301 1.589 1.00 0.21 H new ATOM 0 HA LYS A 646 0.271 -10.256 4.348 1.00 0.22 H new ATOM 0 HB2 LYS A 646 0.973 -8.212 2.228 1.00 0.26 H new ATOM 0 HB3 LYS A 646 1.252 -7.892 3.928 1.00 0.26 H new ATOM 0 HG2 LYS A 646 2.499 -10.193 3.930 1.00 0.38 H new ATOM 0 HG3 LYS A 646 2.509 -10.021 2.186 1.00 0.38 H new ATOM 0 HD2 LYS A 646 3.538 -7.839 4.030 1.00 0.66 H new ATOM 0 HD3 LYS A 646 4.563 -9.143 3.466 1.00 0.66 H new ATOM 0 HE2 LYS A 646 3.750 -8.464 1.075 1.00 1.85 H new ATOM 0 HE3 LYS A 646 3.210 -6.980 1.835 1.00 1.85 H new ATOM 0 HZ1 LYS A 646 5.510 -6.946 0.874 1.00 2.51 H new ATOM 0 HZ2 LYS A 646 5.401 -6.447 2.493 1.00 2.51 H new ATOM 0 HZ3 LYS A 646 5.988 -7.996 2.119 1.00 2.51 H new ATOM 550 N ILE A 647 -1.969 -8.129 3.192 1.00 0.16 N ATOM 551 CA ILE A 647 -3.109 -7.296 3.599 1.00 0.14 C ATOM 552 C ILE A 647 -4.446 -8.020 3.429 1.00 0.16 C ATOM 553 O ILE A 647 -5.477 -7.574 3.932 1.00 0.39 O ATOM 554 CB ILE A 647 -3.157 -6.006 2.776 1.00 0.15 C ATOM 555 CG1 ILE A 647 -3.115 -6.369 1.291 1.00 0.19 C ATOM 556 CG2 ILE A 647 -2.009 -5.078 3.166 1.00 0.26 C ATOM 557 CD1 ILE A 647 -2.800 -5.213 0.383 1.00 0.21 C ATOM 0 H ILE A 647 -1.833 -8.197 2.183 1.00 0.16 H new ATOM 0 HA ILE A 647 -2.961 -7.071 4.655 1.00 0.14 H new ATOM 0 HB ILE A 647 -4.082 -5.467 2.979 1.00 0.15 H new ATOM 0 HG12 ILE A 647 -2.369 -7.149 1.140 1.00 0.19 H new ATOM 0 HG13 ILE A 647 -4.079 -6.790 1.004 1.00 0.19 H new ATOM 0 HG21 ILE A 647 -2.060 -4.166 2.571 1.00 0.26 H new ATOM 0 HG22 ILE A 647 -2.088 -4.826 4.223 1.00 0.26 H new ATOM 0 HG23 ILE A 647 -1.058 -5.579 2.983 1.00 0.26 H new ATOM 0 HD11 ILE A 647 -2.790 -5.555 -0.652 1.00 0.21 H new ATOM 0 HD12 ILE A 647 -3.559 -4.440 0.502 1.00 0.21 H new ATOM 0 HD13 ILE A 647 -1.823 -4.804 0.640 1.00 0.21 H new ATOM 569 N VAL A 648 -4.412 -9.134 2.713 1.00 0.22 N ATOM 570 CA VAL A 648 -5.597 -9.920 2.421 1.00 0.21 C ATOM 571 C VAL A 648 -6.167 -10.546 3.682 1.00 0.17 C ATOM 572 O VAL A 648 -7.382 -10.711 3.804 1.00 0.15 O ATOM 573 CB VAL A 648 -5.269 -10.996 1.368 1.00 0.30 C ATOM 574 CG1 VAL A 648 -6.096 -12.249 1.567 1.00 1.28 C ATOM 575 CG2 VAL A 648 -5.471 -10.441 -0.030 1.00 0.89 C ATOM 0 H VAL A 648 -3.555 -9.519 2.317 1.00 0.22 H new ATOM 0 HA VAL A 648 -6.360 -9.256 2.015 1.00 0.21 H new ATOM 0 HB VAL A 648 -4.222 -11.274 1.493 1.00 0.30 H new ATOM 0 HG11 VAL A 648 -5.834 -12.983 0.804 1.00 1.28 H new ATOM 0 HG12 VAL A 648 -5.895 -12.665 2.554 1.00 1.28 H new ATOM 0 HG13 VAL A 648 -7.155 -12.003 1.486 1.00 1.28 H new ATOM 0 HG21 VAL A 648 -5.236 -11.211 -0.765 1.00 0.89 H new ATOM 0 HG22 VAL A 648 -6.508 -10.129 -0.151 1.00 0.89 H new ATOM 0 HG23 VAL A 648 -4.814 -9.584 -0.180 1.00 0.89 H new ATOM 585 N PHE A 649 -5.292 -10.898 4.618 1.00 0.20 N ATOM 586 CA PHE A 649 -5.736 -11.466 5.884 1.00 0.23 C ATOM 587 C PHE A 649 -6.740 -10.518 6.533 1.00 0.22 C ATOM 588 O PHE A 649 -7.448 -10.877 7.473 1.00 0.30 O ATOM 589 CB PHE A 649 -4.544 -11.697 6.812 1.00 0.29 C ATOM 590 CG PHE A 649 -3.896 -13.040 6.635 1.00 1.30 C ATOM 591 CD1 PHE A 649 -4.470 -14.178 7.176 1.00 1.62 C ATOM 592 CD2 PHE A 649 -2.712 -13.163 5.925 1.00 2.32 C ATOM 593 CE1 PHE A 649 -3.876 -15.415 7.012 1.00 2.80 C ATOM 594 CE2 PHE A 649 -2.113 -14.396 5.757 1.00 3.53 C ATOM 595 CZ PHE A 649 -2.695 -15.526 6.309 1.00 3.74 C ATOM 0 H PHE A 649 -4.281 -10.801 4.525 1.00 0.20 H new ATOM 0 HA PHE A 649 -6.214 -12.429 5.701 1.00 0.23 H new ATOM 0 HB2 PHE A 649 -3.801 -10.919 6.637 1.00 0.29 H new ATOM 0 HB3 PHE A 649 -4.874 -11.596 7.846 1.00 0.29 H new ATOM 0 HD1 PHE A 649 -5.392 -14.098 7.732 1.00 1.62 H new ATOM 0 HD2 PHE A 649 -2.252 -12.284 5.498 1.00 2.32 H new ATOM 0 HE1 PHE A 649 -4.337 -16.295 7.435 1.00 2.80 H new ATOM 0 HE2 PHE A 649 -1.193 -14.479 5.197 1.00 3.53 H new ATOM 0 HZ PHE A 649 -2.225 -16.491 6.189 1.00 3.74 H new ATOM 605 N ASP A 650 -6.782 -9.298 6.002 1.00 0.24 N ATOM 606 CA ASP A 650 -7.685 -8.263 6.473 1.00 0.32 C ATOM 607 C ASP A 650 -8.780 -8.007 5.436 1.00 0.31 C ATOM 608 O ASP A 650 -8.526 -8.093 4.234 1.00 0.25 O ATOM 609 CB ASP A 650 -6.902 -6.975 6.716 1.00 0.37 C ATOM 610 CG ASP A 650 -7.064 -6.459 8.134 1.00 0.55 C ATOM 611 OD1 ASP A 650 -8.012 -5.685 8.381 1.00 0.68 O ATOM 612 OD2 ASP A 650 -6.242 -6.831 8.997 1.00 0.65 O ATOM 0 H ASP A 650 -6.185 -9.003 5.229 1.00 0.24 H new ATOM 0 HA ASP A 650 -8.147 -8.592 7.404 1.00 0.32 H new ATOM 0 HB2 ASP A 650 -5.845 -7.152 6.515 1.00 0.37 H new ATOM 0 HB3 ASP A 650 -7.237 -6.211 6.014 1.00 0.37 H new ATOM 617 N PRO A 651 -10.010 -7.688 5.879 1.00 0.40 N ATOM 618 CA PRO A 651 -11.125 -7.422 4.967 1.00 0.44 C ATOM 619 C PRO A 651 -11.053 -6.032 4.353 1.00 0.45 C ATOM 620 O PRO A 651 -11.767 -5.734 3.394 1.00 0.51 O ATOM 621 CB PRO A 651 -12.348 -7.553 5.871 1.00 0.55 C ATOM 622 CG PRO A 651 -11.861 -7.139 7.216 1.00 0.67 C ATOM 623 CD PRO A 651 -10.417 -7.568 7.294 1.00 0.50 C ATOM 0 HA PRO A 651 -11.133 -8.101 4.115 1.00 0.44 H new ATOM 0 HB2 PRO A 651 -13.164 -6.916 5.530 1.00 0.55 H new ATOM 0 HB3 PRO A 651 -12.726 -8.575 5.883 1.00 0.55 H new ATOM 0 HG2 PRO A 651 -11.954 -6.061 7.348 1.00 0.67 H new ATOM 0 HG3 PRO A 651 -12.449 -7.609 8.004 1.00 0.67 H new ATOM 0 HD2 PRO A 651 -9.810 -6.835 7.824 1.00 0.50 H new ATOM 0 HD3 PRO A 651 -10.309 -8.515 7.823 1.00 0.50 H new ATOM 631 N ARG A 652 -10.196 -5.177 4.905 1.00 0.47 N ATOM 632 CA ARG A 652 -10.044 -3.829 4.377 1.00 0.52 C ATOM 633 C ARG A 652 -9.286 -3.866 3.058 1.00 0.38 C ATOM 634 O ARG A 652 -9.121 -2.843 2.394 1.00 0.34 O ATOM 635 CB ARG A 652 -9.341 -2.908 5.379 1.00 0.70 C ATOM 636 CG ARG A 652 -8.172 -3.547 6.108 1.00 0.61 C ATOM 637 CD ARG A 652 -7.363 -2.504 6.869 1.00 0.62 C ATOM 638 NE ARG A 652 -8.179 -1.371 7.287 1.00 1.22 N ATOM 639 CZ ARG A 652 -8.426 -1.069 8.559 1.00 1.42 C ATOM 640 NH1 ARG A 652 -7.918 -1.813 9.533 1.00 1.26 N ATOM 641 NH2 ARG A 652 -9.180 -0.021 8.860 1.00 2.28 N ATOM 0 H ARG A 652 -9.604 -5.392 5.707 1.00 0.47 H new ATOM 0 HA ARG A 652 -11.040 -3.421 4.202 1.00 0.52 H new ATOM 0 HB2 ARG A 652 -8.984 -2.023 4.852 1.00 0.70 H new ATOM 0 HB3 ARG A 652 -10.070 -2.568 6.115 1.00 0.70 H new ATOM 0 HG2 ARG A 652 -8.541 -4.302 6.802 1.00 0.61 H new ATOM 0 HG3 ARG A 652 -7.529 -4.059 5.392 1.00 0.61 H new ATOM 0 HD2 ARG A 652 -6.911 -2.967 7.746 1.00 0.62 H new ATOM 0 HD3 ARG A 652 -6.547 -2.149 6.239 1.00 0.62 H new ATOM 0 HE ARG A 652 -8.583 -0.776 6.564 1.00 1.22 H new ATOM 0 HH11 ARG A 652 -7.336 -2.620 9.308 1.00 1.26 H new ATOM 0 HH12 ARG A 652 -8.110 -1.578 10.507 1.00 1.26 H new ATOM 0 HH21 ARG A 652 -9.572 0.556 8.116 1.00 2.28 H new ATOM 0 HH22 ARG A 652 -9.368 0.209 9.836 1.00 2.28 H new ATOM 655 N TYR A 653 -8.819 -5.056 2.687 1.00 0.34 N ATOM 656 CA TYR A 653 -8.110 -5.234 1.429 1.00 0.24 C ATOM 657 C TYR A 653 -9.113 -5.176 0.281 1.00 0.19 C ATOM 658 O TYR A 653 -8.760 -4.903 -0.866 1.00 0.20 O ATOM 659 CB TYR A 653 -7.354 -6.574 1.414 1.00 0.22 C ATOM 660 CG TYR A 653 -7.129 -7.138 0.026 1.00 0.23 C ATOM 661 CD1 TYR A 653 -6.069 -6.711 -0.771 1.00 0.27 C ATOM 662 CD2 TYR A 653 -7.995 -8.085 -0.495 1.00 0.28 C ATOM 663 CE1 TYR A 653 -5.886 -7.219 -2.042 1.00 0.34 C ATOM 664 CE2 TYR A 653 -7.822 -8.592 -1.765 1.00 0.35 C ATOM 665 CZ TYR A 653 -6.768 -8.158 -2.536 1.00 0.37 C ATOM 666 OH TYR A 653 -6.601 -8.660 -3.804 1.00 0.48 O ATOM 0 H TYR A 653 -8.920 -5.907 3.240 1.00 0.34 H new ATOM 0 HA TYR A 653 -7.376 -4.436 1.314 1.00 0.24 H new ATOM 0 HB2 TYR A 653 -6.388 -6.440 1.902 1.00 0.22 H new ATOM 0 HB3 TYR A 653 -7.912 -7.301 2.005 1.00 0.22 H new ATOM 0 HD1 TYR A 653 -5.380 -5.972 -0.389 1.00 0.27 H new ATOM 0 HD2 TYR A 653 -8.822 -8.433 0.106 1.00 0.28 H new ATOM 0 HE1 TYR A 653 -5.056 -6.883 -2.646 1.00 0.34 H new ATOM 0 HE2 TYR A 653 -8.511 -9.327 -2.154 1.00 0.35 H new ATOM 0 HH TYR A 653 -6.682 -9.636 -3.783 1.00 0.48 H new ATOM 676 N LEU A 654 -10.375 -5.432 0.617 1.00 0.23 N ATOM 677 CA LEU A 654 -11.453 -5.426 -0.360 1.00 0.26 C ATOM 678 C LEU A 654 -12.196 -4.094 -0.351 1.00 0.28 C ATOM 679 O LEU A 654 -13.392 -4.035 -0.638 1.00 0.38 O ATOM 680 CB LEU A 654 -12.424 -6.568 -0.059 1.00 0.34 C ATOM 681 CG LEU A 654 -11.764 -7.932 0.133 1.00 0.39 C ATOM 682 CD1 LEU A 654 -12.775 -8.957 0.619 1.00 0.46 C ATOM 683 CD2 LEU A 654 -11.113 -8.389 -1.162 1.00 0.40 C ATOM 0 H LEU A 654 -10.675 -5.648 1.568 1.00 0.23 H new ATOM 0 HA LEU A 654 -11.021 -5.565 -1.351 1.00 0.26 H new ATOM 0 HB2 LEU A 654 -12.986 -6.321 0.842 1.00 0.34 H new ATOM 0 HB3 LEU A 654 -13.144 -6.639 -0.874 1.00 0.34 H new ATOM 0 HG LEU A 654 -10.990 -7.837 0.894 1.00 0.39 H new ATOM 0 HD11 LEU A 654 -12.282 -9.921 0.749 1.00 0.46 H new ATOM 0 HD12 LEU A 654 -13.193 -8.632 1.572 1.00 0.46 H new ATOM 0 HD13 LEU A 654 -13.576 -9.054 -0.114 1.00 0.46 H new ATOM 0 HD21 LEU A 654 -10.646 -9.362 -1.011 1.00 0.40 H new ATOM 0 HD22 LEU A 654 -11.870 -8.467 -1.942 1.00 0.40 H new ATOM 0 HD23 LEU A 654 -10.355 -7.666 -1.463 1.00 0.40 H new ATOM 695 N LEU A 655 -11.477 -3.027 -0.022 1.00 0.24 N ATOM 696 CA LEU A 655 -12.065 -1.693 0.034 1.00 0.27 C ATOM 697 C LEU A 655 -12.185 -1.072 -1.355 1.00 0.23 C ATOM 698 O LEU A 655 -13.270 -1.037 -1.937 1.00 0.27 O ATOM 699 CB LEU A 655 -11.228 -0.788 0.942 1.00 0.30 C ATOM 700 CG LEU A 655 -11.462 -0.973 2.442 1.00 0.39 C ATOM 701 CD1 LEU A 655 -10.457 -0.160 3.243 1.00 0.43 C ATOM 702 CD2 LEU A 655 -12.884 -0.574 2.812 1.00 0.43 C ATOM 0 H LEU A 655 -10.484 -3.059 0.210 1.00 0.24 H new ATOM 0 HA LEU A 655 -13.070 -1.789 0.444 1.00 0.27 H new ATOM 0 HB2 LEU A 655 -10.173 -0.964 0.731 1.00 0.30 H new ATOM 0 HB3 LEU A 655 -11.436 0.250 0.684 1.00 0.30 H new ATOM 0 HG LEU A 655 -11.324 -2.027 2.684 1.00 0.39 H new ATOM 0 HD11 LEU A 655 -10.639 -0.304 4.308 1.00 0.43 H new ATOM 0 HD12 LEU A 655 -9.447 -0.489 3.000 1.00 0.43 H new ATOM 0 HD13 LEU A 655 -10.564 0.896 2.996 1.00 0.43 H new ATOM 0 HD21 LEU A 655 -13.034 -0.712 3.883 1.00 0.43 H new ATOM 0 HD22 LEU A 655 -13.047 0.473 2.555 1.00 0.43 H new ATOM 0 HD23 LEU A 655 -13.591 -1.197 2.264 1.00 0.43 H new ATOM 714 N LEU A 656 -11.067 -0.580 -1.882 1.00 0.17 N ATOM 715 CA LEU A 656 -11.055 0.050 -3.199 1.00 0.16 C ATOM 716 C LEU A 656 -11.317 -0.964 -4.305 1.00 0.18 C ATOM 717 O LEU A 656 -11.434 -2.164 -4.055 1.00 0.31 O ATOM 718 CB LEU A 656 -9.711 0.742 -3.461 1.00 0.16 C ATOM 719 CG LEU A 656 -9.448 2.028 -2.675 1.00 0.19 C ATOM 720 CD1 LEU A 656 -10.589 3.008 -2.866 1.00 0.22 C ATOM 721 CD2 LEU A 656 -9.233 1.731 -1.200 1.00 0.19 C ATOM 0 H LEU A 656 -10.159 -0.605 -1.418 1.00 0.17 H new ATOM 0 HA LEU A 656 -11.854 0.792 -3.205 1.00 0.16 H new ATOM 0 HB2 LEU A 656 -8.912 0.035 -3.238 1.00 0.16 H new ATOM 0 HB3 LEU A 656 -9.645 0.971 -4.525 1.00 0.16 H new ATOM 0 HG LEU A 656 -8.535 2.482 -3.061 1.00 0.19 H new ATOM 0 HD11 LEU A 656 -10.386 3.917 -2.300 1.00 0.22 H new ATOM 0 HD12 LEU A 656 -10.685 3.253 -3.924 1.00 0.22 H new ATOM 0 HD13 LEU A 656 -11.517 2.560 -2.511 1.00 0.22 H new ATOM 0 HD21 LEU A 656 -9.048 2.662 -0.665 1.00 0.19 H new ATOM 0 HD22 LEU A 656 -10.121 1.248 -0.793 1.00 0.19 H new ATOM 0 HD23 LEU A 656 -8.375 1.069 -1.083 1.00 0.19 H new ATOM 733 N ASN A 657 -11.407 -0.461 -5.531 1.00 0.19 N ATOM 734 CA ASN A 657 -11.640 -1.299 -6.699 1.00 0.20 C ATOM 735 C ASN A 657 -10.312 -1.590 -7.400 1.00 0.19 C ATOM 736 O ASN A 657 -9.320 -0.916 -7.137 1.00 0.18 O ATOM 737 CB ASN A 657 -12.608 -0.600 -7.660 1.00 0.25 C ATOM 738 CG ASN A 657 -13.129 0.714 -7.109 1.00 0.67 C ATOM 739 OD1 ASN A 657 -12.535 1.771 -7.327 1.00 1.76 O ATOM 740 ND2 ASN A 657 -14.244 0.656 -6.389 1.00 0.48 N ATOM 0 H ASN A 657 -11.321 0.533 -5.742 1.00 0.19 H new ATOM 0 HA ASN A 657 -12.085 -2.242 -6.381 1.00 0.20 H new ATOM 0 HB2 ASN A 657 -12.104 -0.417 -8.609 1.00 0.25 H new ATOM 0 HB3 ASN A 657 -13.449 -1.262 -7.868 1.00 0.25 H new ATOM 0 HD21 ASN A 657 -14.640 1.508 -5.992 1.00 0.48 H new ATOM 0 HD22 ASN A 657 -14.704 -0.241 -6.233 1.00 0.48 H new ATOM 747 N PRO A 658 -10.269 -2.581 -8.312 1.00 0.23 N ATOM 748 CA PRO A 658 -9.041 -2.949 -9.039 1.00 0.27 C ATOM 749 C PRO A 658 -8.359 -1.754 -9.705 1.00 0.26 C ATOM 750 O PRO A 658 -7.262 -1.881 -10.250 1.00 0.30 O ATOM 751 CB PRO A 658 -9.536 -3.937 -10.106 1.00 0.31 C ATOM 752 CG PRO A 658 -11.011 -3.739 -10.146 1.00 0.48 C ATOM 753 CD PRO A 658 -11.399 -3.419 -8.738 1.00 0.27 C ATOM 0 HA PRO A 658 -8.290 -3.360 -8.365 1.00 0.27 H new ATOM 0 HB2 PRO A 658 -9.082 -3.733 -11.076 1.00 0.31 H new ATOM 0 HB3 PRO A 658 -9.281 -4.964 -9.844 1.00 0.31 H new ATOM 0 HG2 PRO A 658 -11.282 -2.929 -10.823 1.00 0.48 H new ATOM 0 HG3 PRO A 658 -11.520 -4.635 -10.501 1.00 0.48 H new ATOM 0 HD2 PRO A 658 -12.349 -2.887 -8.684 1.00 0.27 H new ATOM 0 HD3 PRO A 658 -11.500 -4.315 -8.126 1.00 0.27 H new ATOM 761 N LYS A 659 -9.011 -0.597 -9.658 1.00 0.24 N ATOM 762 CA LYS A 659 -8.464 0.616 -10.253 1.00 0.26 C ATOM 763 C LYS A 659 -7.801 1.473 -9.181 1.00 0.24 C ATOM 764 O LYS A 659 -6.604 1.762 -9.246 1.00 0.25 O ATOM 765 CB LYS A 659 -9.564 1.419 -10.954 1.00 0.29 C ATOM 766 CG LYS A 659 -10.093 0.765 -12.224 1.00 1.19 C ATOM 767 CD LYS A 659 -10.983 -0.429 -11.917 1.00 1.90 C ATOM 768 CE LYS A 659 -11.581 -1.017 -13.186 1.00 2.45 C ATOM 769 NZ LYS A 659 -12.425 -0.027 -13.911 1.00 2.98 N ATOM 0 H LYS A 659 -9.921 -0.474 -9.213 1.00 0.24 H new ATOM 0 HA LYS A 659 -7.718 0.328 -10.994 1.00 0.26 H new ATOM 0 HB2 LYS A 659 -10.392 1.564 -10.260 1.00 0.29 H new ATOM 0 HB3 LYS A 659 -9.177 2.408 -11.200 1.00 0.29 H new ATOM 0 HG2 LYS A 659 -10.655 1.498 -12.803 1.00 1.19 H new ATOM 0 HG3 LYS A 659 -9.255 0.444 -12.843 1.00 1.19 H new ATOM 0 HD2 LYS A 659 -10.403 -1.193 -11.398 1.00 1.90 H new ATOM 0 HD3 LYS A 659 -11.784 -0.124 -11.243 1.00 1.90 H new ATOM 0 HE2 LYS A 659 -10.779 -1.359 -13.840 1.00 2.45 H new ATOM 0 HE3 LYS A 659 -12.182 -1.891 -12.934 1.00 2.45 H new ATOM 0 HZ1 LYS A 659 -13.047 -0.525 -14.579 1.00 2.98 H new ATOM 0 HZ2 LYS A 659 -13.003 0.502 -13.228 1.00 2.98 H new ATOM 0 HZ3 LYS A 659 -11.814 0.634 -14.433 1.00 2.98 H new ATOM 783 N GLU A 660 -8.592 1.874 -8.191 1.00 0.23 N ATOM 784 CA GLU A 660 -8.090 2.691 -7.097 1.00 0.21 C ATOM 785 C GLU A 660 -6.989 1.956 -6.345 1.00 0.21 C ATOM 786 O GLU A 660 -6.103 2.577 -5.763 1.00 0.21 O ATOM 787 CB GLU A 660 -9.225 3.061 -6.141 1.00 0.23 C ATOM 788 CG GLU A 660 -10.267 3.977 -6.759 1.00 0.26 C ATOM 789 CD GLU A 660 -9.682 5.298 -7.218 1.00 1.11 C ATOM 790 OE1 GLU A 660 -9.629 6.241 -6.401 1.00 1.61 O ATOM 791 OE2 GLU A 660 -9.274 5.391 -8.396 1.00 1.47 O ATOM 0 H GLU A 660 -9.584 1.645 -8.126 1.00 0.23 H new ATOM 0 HA GLU A 660 -7.674 3.607 -7.516 1.00 0.21 H new ATOM 0 HB2 GLU A 660 -9.713 2.148 -5.799 1.00 0.23 H new ATOM 0 HB3 GLU A 660 -8.804 3.546 -5.261 1.00 0.23 H new ATOM 0 HG2 GLU A 660 -10.730 3.474 -7.608 1.00 0.26 H new ATOM 0 HG3 GLU A 660 -11.056 4.166 -6.032 1.00 0.26 H new ATOM 798 N ARG A 661 -7.047 0.628 -6.363 1.00 0.23 N ATOM 799 CA ARG A 661 -6.043 -0.184 -5.683 1.00 0.25 C ATOM 800 C ARG A 661 -4.751 -0.207 -6.486 1.00 0.23 C ATOM 801 O ARG A 661 -3.661 -0.337 -5.932 1.00 0.28 O ATOM 802 CB ARG A 661 -6.557 -1.608 -5.466 1.00 0.31 C ATOM 803 CG ARG A 661 -7.838 -1.658 -4.655 1.00 0.89 C ATOM 804 CD ARG A 661 -8.093 -3.033 -4.072 1.00 0.68 C ATOM 805 NE ARG A 661 -7.979 -4.092 -5.072 1.00 1.40 N ATOM 806 CZ ARG A 661 -8.728 -5.191 -5.070 1.00 1.87 C ATOM 807 NH1 ARG A 661 -9.638 -5.379 -4.122 1.00 2.10 N ATOM 808 NH2 ARG A 661 -8.568 -6.107 -6.016 1.00 2.77 N ATOM 0 H ARG A 661 -7.774 0.093 -6.838 1.00 0.23 H new ATOM 0 HA ARG A 661 -5.843 0.262 -4.709 1.00 0.25 H new ATOM 0 HB2 ARG A 661 -6.728 -2.078 -6.434 1.00 0.31 H new ATOM 0 HB3 ARG A 661 -5.789 -2.192 -4.959 1.00 0.31 H new ATOM 0 HG2 ARG A 661 -7.784 -0.927 -3.848 1.00 0.89 H new ATOM 0 HG3 ARG A 661 -8.678 -1.372 -5.288 1.00 0.89 H new ATOM 0 HD2 ARG A 661 -7.383 -3.220 -3.266 1.00 0.68 H new ATOM 0 HD3 ARG A 661 -9.090 -3.059 -3.632 1.00 0.68 H new ATOM 0 HE ARG A 661 -7.287 -3.982 -5.813 1.00 1.40 H new ATOM 0 HH11 ARG A 661 -9.765 -4.679 -3.391 1.00 2.10 H new ATOM 0 HH12 ARG A 661 -10.210 -6.223 -4.125 1.00 2.10 H new ATOM 0 HH21 ARG A 661 -7.870 -5.969 -6.747 1.00 2.77 H new ATOM 0 HH22 ARG A 661 -9.143 -6.949 -6.013 1.00 2.77 H new ATOM 822 N LYS A 662 -4.891 -0.076 -7.798 1.00 0.21 N ATOM 823 CA LYS A 662 -3.745 -0.066 -8.696 1.00 0.25 C ATOM 824 C LYS A 662 -2.920 1.202 -8.488 1.00 0.24 C ATOM 825 O LYS A 662 -1.692 1.177 -8.560 1.00 0.31 O ATOM 826 CB LYS A 662 -4.217 -0.156 -10.150 1.00 0.28 C ATOM 827 CG LYS A 662 -3.334 -1.024 -11.037 1.00 0.74 C ATOM 828 CD LYS A 662 -1.983 -0.379 -11.300 1.00 1.40 C ATOM 829 CE LYS A 662 -0.909 -0.932 -10.376 1.00 1.78 C ATOM 830 NZ LYS A 662 0.401 -0.252 -10.578 1.00 2.56 N ATOM 0 H LYS A 662 -5.792 0.025 -8.266 1.00 0.21 H new ATOM 0 HA LYS A 662 -3.118 -0.930 -8.474 1.00 0.25 H new ATOM 0 HB2 LYS A 662 -5.232 -0.552 -10.167 1.00 0.28 H new ATOM 0 HB3 LYS A 662 -4.260 0.849 -10.570 1.00 0.28 H new ATOM 0 HG2 LYS A 662 -3.186 -1.994 -10.563 1.00 0.74 H new ATOM 0 HG3 LYS A 662 -3.840 -1.206 -11.985 1.00 0.74 H new ATOM 0 HD2 LYS A 662 -1.694 -0.549 -12.337 1.00 1.40 H new ATOM 0 HD3 LYS A 662 -2.061 0.700 -11.163 1.00 1.40 H new ATOM 0 HE2 LYS A 662 -1.225 -0.812 -9.340 1.00 1.78 H new ATOM 0 HE3 LYS A 662 -0.794 -2.002 -10.552 1.00 1.78 H new ATOM 0 HZ1 LYS A 662 0.967 -0.323 -9.708 1.00 2.56 H new ATOM 0 HZ2 LYS A 662 0.911 -0.707 -11.361 1.00 2.56 H new ATOM 0 HZ3 LYS A 662 0.241 0.750 -10.805 1.00 2.56 H new ATOM 844 N GLN A 663 -3.603 2.309 -8.214 1.00 0.21 N ATOM 845 CA GLN A 663 -2.932 3.583 -7.995 1.00 0.23 C ATOM 846 C GLN A 663 -2.496 3.724 -6.544 1.00 0.16 C ATOM 847 O GLN A 663 -1.480 4.345 -6.262 1.00 0.21 O ATOM 848 CB GLN A 663 -3.840 4.751 -8.392 1.00 0.33 C ATOM 849 CG GLN A 663 -5.321 4.450 -8.245 1.00 0.62 C ATOM 850 CD GLN A 663 -6.135 5.679 -7.894 1.00 0.57 C ATOM 851 OE1 GLN A 663 -6.615 6.394 -8.772 1.00 1.12 O ATOM 852 NE2 GLN A 663 -6.290 5.928 -6.600 1.00 0.48 N ATOM 0 H GLN A 663 -4.619 2.348 -8.139 1.00 0.21 H new ATOM 0 HA GLN A 663 -2.043 3.606 -8.626 1.00 0.23 H new ATOM 0 HB2 GLN A 663 -3.592 5.617 -7.779 1.00 0.33 H new ATOM 0 HB3 GLN A 663 -3.635 5.024 -9.427 1.00 0.33 H new ATOM 0 HG2 GLN A 663 -5.695 4.025 -9.176 1.00 0.62 H new ATOM 0 HG3 GLN A 663 -5.459 3.695 -7.472 1.00 0.62 H new ATOM 0 HE21 GLN A 663 -5.873 5.306 -5.907 1.00 0.48 H new ATOM 0 HE22 GLN A 663 -6.826 6.741 -6.298 1.00 0.48 H new ATOM 861 N VAL A 664 -3.262 3.141 -5.627 1.00 0.15 N ATOM 862 CA VAL A 664 -2.926 3.202 -4.207 1.00 0.13 C ATOM 863 C VAL A 664 -1.656 2.400 -3.941 1.00 0.11 C ATOM 864 O VAL A 664 -0.844 2.757 -3.086 1.00 0.16 O ATOM 865 CB VAL A 664 -4.082 2.672 -3.326 1.00 0.19 C ATOM 866 CG1 VAL A 664 -3.597 2.310 -1.931 1.00 0.35 C ATOM 867 CG2 VAL A 664 -5.196 3.699 -3.241 1.00 0.16 C ATOM 0 H VAL A 664 -4.115 2.624 -5.839 1.00 0.15 H new ATOM 0 HA VAL A 664 -2.760 4.247 -3.945 1.00 0.13 H new ATOM 0 HB VAL A 664 -4.467 1.766 -3.794 1.00 0.19 H new ATOM 0 HG11 VAL A 664 -4.435 1.941 -1.339 1.00 0.35 H new ATOM 0 HG12 VAL A 664 -2.833 1.535 -2.001 1.00 0.35 H new ATOM 0 HG13 VAL A 664 -3.175 3.193 -1.452 1.00 0.35 H new ATOM 0 HG21 VAL A 664 -6.002 3.311 -2.618 1.00 0.16 H new ATOM 0 HG22 VAL A 664 -4.810 4.619 -2.803 1.00 0.16 H new ATOM 0 HG23 VAL A 664 -5.578 3.905 -4.241 1.00 0.16 H new ATOM 877 N PHE A 665 -1.493 1.321 -4.697 1.00 0.17 N ATOM 878 CA PHE A 665 -0.325 0.462 -4.572 1.00 0.19 C ATOM 879 C PHE A 665 0.887 1.101 -5.240 1.00 0.17 C ATOM 880 O PHE A 665 1.972 1.141 -4.667 1.00 0.20 O ATOM 881 CB PHE A 665 -0.619 -0.908 -5.193 1.00 0.26 C ATOM 882 CG PHE A 665 0.605 -1.645 -5.666 1.00 0.34 C ATOM 883 CD1 PHE A 665 1.460 -2.252 -4.761 1.00 0.44 C ATOM 884 CD2 PHE A 665 0.897 -1.727 -7.018 1.00 0.48 C ATOM 885 CE1 PHE A 665 2.584 -2.927 -5.197 1.00 0.61 C ATOM 886 CE2 PHE A 665 2.020 -2.401 -7.458 1.00 0.65 C ATOM 887 CZ PHE A 665 2.865 -3.002 -6.546 1.00 0.71 C ATOM 0 H PHE A 665 -2.160 1.020 -5.407 1.00 0.17 H new ATOM 0 HA PHE A 665 -0.098 0.330 -3.514 1.00 0.19 H new ATOM 0 HB2 PHE A 665 -1.139 -1.523 -4.459 1.00 0.26 H new ATOM 0 HB3 PHE A 665 -1.298 -0.775 -6.035 1.00 0.26 H new ATOM 0 HD1 PHE A 665 1.246 -2.197 -3.704 1.00 0.44 H new ATOM 0 HD2 PHE A 665 0.240 -1.259 -7.736 1.00 0.48 H new ATOM 0 HE1 PHE A 665 3.243 -3.396 -4.482 1.00 0.61 H new ATOM 0 HE2 PHE A 665 2.237 -2.458 -8.514 1.00 0.65 H new ATOM 0 HZ PHE A 665 3.743 -3.529 -6.888 1.00 0.71 H new ATOM 897 N ASP A 666 0.691 1.608 -6.452 1.00 0.19 N ATOM 898 CA ASP A 666 1.772 2.238 -7.203 1.00 0.19 C ATOM 899 C ASP A 666 2.203 3.552 -6.559 1.00 0.18 C ATOM 900 O ASP A 666 3.366 3.942 -6.644 1.00 0.29 O ATOM 901 CB ASP A 666 1.337 2.483 -8.650 1.00 0.22 C ATOM 902 CG ASP A 666 2.458 3.038 -9.505 1.00 0.91 C ATOM 903 OD1 ASP A 666 3.221 2.233 -10.081 1.00 0.98 O ATOM 904 OD2 ASP A 666 2.573 4.278 -9.602 1.00 1.85 O ATOM 0 H ASP A 666 -0.207 1.595 -6.936 1.00 0.19 H new ATOM 0 HA ASP A 666 2.625 1.560 -7.193 1.00 0.19 H new ATOM 0 HB2 ASP A 666 0.983 1.548 -9.083 1.00 0.22 H new ATOM 0 HB3 ASP A 666 0.497 3.178 -8.661 1.00 0.22 H new ATOM 909 N GLN A 667 1.262 4.226 -5.907 1.00 0.16 N ATOM 910 CA GLN A 667 1.539 5.500 -5.256 1.00 0.14 C ATOM 911 C GLN A 667 2.288 5.300 -3.947 1.00 0.13 C ATOM 912 O GLN A 667 3.161 6.093 -3.599 1.00 0.15 O ATOM 913 CB GLN A 667 0.238 6.263 -4.997 1.00 0.15 C ATOM 914 CG GLN A 667 -0.127 7.240 -6.103 1.00 0.20 C ATOM 915 CD GLN A 667 0.609 8.567 -6.001 1.00 0.29 C ATOM 916 OE1 GLN A 667 0.098 9.603 -6.426 1.00 1.05 O ATOM 917 NE2 GLN A 667 1.813 8.547 -5.435 1.00 1.16 N ATOM 0 H GLN A 667 0.297 3.909 -5.815 1.00 0.16 H new ATOM 0 HA GLN A 667 2.170 6.084 -5.927 1.00 0.14 H new ATOM 0 HB2 GLN A 667 -0.575 5.547 -4.874 1.00 0.15 H new ATOM 0 HB3 GLN A 667 0.328 6.808 -4.057 1.00 0.15 H new ATOM 0 HG2 GLN A 667 0.093 6.784 -7.068 1.00 0.20 H new ATOM 0 HG3 GLN A 667 -1.201 7.425 -6.075 1.00 0.20 H new ATOM 0 HE21 GLN A 667 2.202 7.668 -5.095 1.00 1.16 H new ATOM 0 HE22 GLN A 667 2.347 9.411 -5.341 1.00 1.16 H new ATOM 926 N TYR A 668 1.949 4.237 -3.228 1.00 0.13 N ATOM 927 CA TYR A 668 2.591 3.940 -1.962 1.00 0.14 C ATOM 928 C TYR A 668 4.010 3.454 -2.192 1.00 0.14 C ATOM 929 O TYR A 668 4.954 3.924 -1.557 1.00 0.17 O ATOM 930 CB TYR A 668 1.796 2.868 -1.226 1.00 0.17 C ATOM 931 CG TYR A 668 2.517 2.272 -0.042 1.00 0.20 C ATOM 932 CD1 TYR A 668 2.951 3.082 0.996 1.00 0.35 C ATOM 933 CD2 TYR A 668 2.767 0.908 0.038 1.00 0.27 C ATOM 934 CE1 TYR A 668 3.614 2.553 2.081 1.00 0.39 C ATOM 935 CE2 TYR A 668 3.430 0.371 1.120 1.00 0.30 C ATOM 936 CZ TYR A 668 3.834 1.155 2.130 1.00 0.30 C ATOM 937 OH TYR A 668 4.514 0.664 3.223 1.00 0.36 O ATOM 0 H TYR A 668 1.231 3.567 -3.504 1.00 0.13 H new ATOM 0 HA TYR A 668 2.623 4.849 -1.361 1.00 0.14 H new ATOM 0 HB2 TYR A 668 0.854 3.298 -0.886 1.00 0.17 H new ATOM 0 HB3 TYR A 668 1.547 2.070 -1.926 1.00 0.17 H new ATOM 0 HD1 TYR A 668 2.766 4.145 0.953 1.00 0.35 H new ATOM 0 HD2 TYR A 668 2.437 0.259 -0.760 1.00 0.27 H new ATOM 0 HE1 TYR A 668 3.960 3.193 2.880 1.00 0.39 H new ATOM 0 HE2 TYR A 668 3.626 -0.691 1.155 1.00 0.30 H new ATOM 0 HH TYR A 668 3.993 -0.056 3.636 1.00 0.36 H new ATOM 947 N VAL A 669 4.147 2.511 -3.111 1.00 0.14 N ATOM 948 CA VAL A 669 5.440 1.942 -3.429 1.00 0.16 C ATOM 949 C VAL A 669 6.357 2.963 -4.087 1.00 0.16 C ATOM 950 O VAL A 669 7.577 2.861 -3.991 1.00 0.21 O ATOM 951 CB VAL A 669 5.303 0.720 -4.353 1.00 0.18 C ATOM 952 CG1 VAL A 669 4.405 -0.330 -3.719 1.00 0.22 C ATOM 953 CG2 VAL A 669 4.779 1.133 -5.720 1.00 0.18 C ATOM 0 H VAL A 669 3.372 2.124 -3.650 1.00 0.14 H new ATOM 0 HA VAL A 669 5.881 1.629 -2.483 1.00 0.16 H new ATOM 0 HB VAL A 669 6.291 0.282 -4.492 1.00 0.18 H new ATOM 0 HG11 VAL A 669 4.320 -1.187 -4.387 1.00 0.22 H new ATOM 0 HG12 VAL A 669 4.834 -0.651 -2.770 1.00 0.22 H new ATOM 0 HG13 VAL A 669 3.416 0.094 -3.545 1.00 0.22 H new ATOM 0 HG21 VAL A 669 4.690 0.253 -6.357 1.00 0.18 H new ATOM 0 HG22 VAL A 669 3.801 1.601 -5.609 1.00 0.18 H new ATOM 0 HG23 VAL A 669 5.470 1.842 -6.176 1.00 0.18 H new ATOM 963 N LYS A 670 5.770 3.948 -4.757 1.00 0.15 N ATOM 964 CA LYS A 670 6.555 4.974 -5.432 1.00 0.17 C ATOM 965 C LYS A 670 7.191 5.936 -4.434 1.00 0.18 C ATOM 966 O LYS A 670 8.413 5.978 -4.295 1.00 0.23 O ATOM 967 CB LYS A 670 5.684 5.750 -6.422 1.00 0.20 C ATOM 968 CG LYS A 670 6.447 6.795 -7.218 1.00 0.73 C ATOM 969 CD LYS A 670 6.340 8.174 -6.584 1.00 1.01 C ATOM 970 CE LYS A 670 4.937 8.749 -6.716 1.00 1.79 C ATOM 971 NZ LYS A 670 4.526 8.889 -8.141 1.00 2.41 N ATOM 0 H LYS A 670 4.760 4.058 -4.847 1.00 0.15 H new ATOM 0 HA LYS A 670 7.355 4.472 -5.976 1.00 0.17 H new ATOM 0 HB2 LYS A 670 5.220 5.046 -7.113 1.00 0.20 H new ATOM 0 HB3 LYS A 670 4.877 6.239 -5.876 1.00 0.20 H new ATOM 0 HG2 LYS A 670 7.496 6.506 -7.286 1.00 0.73 H new ATOM 0 HG3 LYS A 670 6.059 6.831 -8.236 1.00 0.73 H new ATOM 0 HD2 LYS A 670 6.609 8.111 -5.530 1.00 1.01 H new ATOM 0 HD3 LYS A 670 7.055 8.848 -7.056 1.00 1.01 H new ATOM 0 HE2 LYS A 670 4.230 8.103 -6.196 1.00 1.79 H new ATOM 0 HE3 LYS A 670 4.897 9.723 -6.229 1.00 1.79 H new ATOM 0 HZ1 LYS A 670 3.712 9.533 -8.206 1.00 2.41 H new ATOM 0 HZ2 LYS A 670 5.318 9.275 -8.694 1.00 2.41 H new ATOM 0 HZ3 LYS A 670 4.261 7.957 -8.519 1.00 2.41 H new ATOM 985 N THR A 671 6.357 6.704 -3.740 1.00 0.17 N ATOM 986 CA THR A 671 6.850 7.680 -2.771 1.00 0.21 C ATOM 987 C THR A 671 7.711 7.028 -1.690 1.00 0.23 C ATOM 988 O THR A 671 8.790 7.526 -1.360 1.00 0.31 O ATOM 989 CB THR A 671 5.693 8.452 -2.104 1.00 0.24 C ATOM 990 OG1 THR A 671 6.213 9.366 -1.130 1.00 0.31 O ATOM 991 CG2 THR A 671 4.709 7.503 -1.437 1.00 0.23 C ATOM 0 H THR A 671 5.341 6.671 -3.829 1.00 0.17 H new ATOM 0 HA THR A 671 7.468 8.381 -3.333 1.00 0.21 H new ATOM 0 HB THR A 671 5.165 9.004 -2.881 1.00 0.24 H new ATOM 0 HG1 THR A 671 5.473 9.854 -0.712 1.00 0.31 H new ATOM 0 HG21 THR A 671 3.905 8.077 -0.976 1.00 0.23 H new ATOM 0 HG22 THR A 671 4.291 6.828 -2.184 1.00 0.23 H new ATOM 0 HG23 THR A 671 5.225 6.922 -0.672 1.00 0.23 H new ATOM 999 N ARG A 672 7.242 5.907 -1.150 1.00 0.25 N ATOM 1000 CA ARG A 672 7.975 5.214 -0.098 1.00 0.31 C ATOM 1001 C ARG A 672 9.338 4.731 -0.587 1.00 0.32 C ATOM 1002 O ARG A 672 10.366 5.107 -0.027 1.00 0.43 O ATOM 1003 CB ARG A 672 7.169 4.034 0.445 1.00 0.33 C ATOM 1004 CG ARG A 672 7.764 3.437 1.701 1.00 0.41 C ATOM 1005 CD ARG A 672 7.033 2.180 2.136 1.00 0.65 C ATOM 1006 NE ARG A 672 7.770 1.446 3.162 1.00 1.58 N ATOM 1007 CZ ARG A 672 7.720 0.125 3.303 1.00 2.28 C ATOM 1008 NH1 ARG A 672 6.968 -0.605 2.490 1.00 2.40 N ATOM 1009 NH2 ARG A 672 8.420 -0.466 4.261 1.00 3.34 N ATOM 0 H ARG A 672 6.365 5.463 -1.421 1.00 0.25 H new ATOM 0 HA ARG A 672 8.136 5.932 0.706 1.00 0.31 H new ATOM 0 HB2 ARG A 672 6.151 4.362 0.653 1.00 0.33 H new ATOM 0 HB3 ARG A 672 7.105 3.262 -0.322 1.00 0.33 H new ATOM 0 HG2 ARG A 672 8.815 3.204 1.529 1.00 0.41 H new ATOM 0 HG3 ARG A 672 7.728 4.173 2.504 1.00 0.41 H new ATOM 0 HD2 ARG A 672 6.048 2.447 2.519 1.00 0.65 H new ATOM 0 HD3 ARG A 672 6.875 1.535 1.272 1.00 0.65 H new ATOM 0 HE ARG A 672 8.356 1.977 3.806 1.00 1.58 H new ATOM 0 HH11 ARG A 672 6.426 -0.153 1.754 1.00 2.40 H new ATOM 0 HH12 ARG A 672 6.932 -1.618 2.601 1.00 2.40 H new ATOM 0 HH21 ARG A 672 8.997 0.093 4.890 1.00 3.34 H new ATOM 0 HH22 ARG A 672 8.382 -1.480 4.369 1.00 3.34 H new ATOM 1023 N ALA A 673 9.347 3.907 -1.633 1.00 0.28 N ATOM 1024 CA ALA A 673 10.597 3.372 -2.173 1.00 0.33 C ATOM 1025 C ALA A 673 11.614 4.474 -2.439 1.00 0.40 C ATOM 1026 O ALA A 673 12.816 4.265 -2.291 1.00 0.56 O ATOM 1027 CB ALA A 673 10.339 2.580 -3.445 1.00 0.35 C ATOM 0 H ALA A 673 8.508 3.596 -2.122 1.00 0.28 H new ATOM 0 HA ALA A 673 11.015 2.705 -1.419 1.00 0.33 H new ATOM 0 HB1 ALA A 673 11.282 2.191 -3.829 1.00 0.35 H new ATOM 0 HB2 ALA A 673 9.667 1.750 -3.227 1.00 0.35 H new ATOM 0 HB3 ALA A 673 9.883 3.230 -4.192 1.00 0.35 H new ATOM 1033 N GLU A 674 11.130 5.647 -2.834 1.00 0.35 N ATOM 1034 CA GLU A 674 12.013 6.772 -3.114 1.00 0.43 C ATOM 1035 C GLU A 674 12.743 7.220 -1.852 1.00 0.48 C ATOM 1036 O GLU A 674 13.943 7.491 -1.883 1.00 0.60 O ATOM 1037 CB GLU A 674 11.220 7.941 -3.703 1.00 0.47 C ATOM 1038 CG GLU A 674 10.794 7.721 -5.147 1.00 0.58 C ATOM 1039 CD GLU A 674 11.971 7.666 -6.101 1.00 0.71 C ATOM 1040 OE1 GLU A 674 12.535 6.567 -6.286 1.00 0.77 O ATOM 1041 OE2 GLU A 674 12.329 8.722 -6.663 1.00 0.83 O ATOM 0 H GLU A 674 10.138 5.842 -2.967 1.00 0.35 H new ATOM 0 HA GLU A 674 12.754 6.444 -3.843 1.00 0.43 H new ATOM 0 HB2 GLU A 674 10.333 8.111 -3.093 1.00 0.47 H new ATOM 0 HB3 GLU A 674 11.825 8.846 -3.645 1.00 0.47 H new ATOM 0 HG2 GLU A 674 10.230 6.791 -5.218 1.00 0.58 H new ATOM 0 HG3 GLU A 674 10.123 8.524 -5.450 1.00 0.58 H new ATOM 1048 N GLU A 675 12.013 7.291 -0.742 1.00 0.49 N ATOM 1049 CA GLU A 675 12.594 7.712 0.533 1.00 0.59 C ATOM 1050 C GLU A 675 13.431 6.603 1.173 1.00 0.59 C ATOM 1051 O GLU A 675 14.538 6.849 1.654 1.00 0.66 O ATOM 1052 CB GLU A 675 11.488 8.143 1.497 1.00 0.65 C ATOM 1053 CG GLU A 675 10.531 9.169 0.911 1.00 0.94 C ATOM 1054 CD GLU A 675 11.219 10.470 0.550 1.00 1.50 C ATOM 1055 OE1 GLU A 675 11.822 10.539 -0.541 1.00 1.96 O ATOM 1056 OE2 GLU A 675 11.158 11.419 1.359 1.00 1.56 O ATOM 0 H GLU A 675 11.020 7.063 -0.698 1.00 0.49 H new ATOM 0 HA GLU A 675 13.255 8.554 0.329 1.00 0.59 H new ATOM 0 HB2 GLU A 675 10.921 7.263 1.802 1.00 0.65 H new ATOM 0 HB3 GLU A 675 11.943 8.557 2.397 1.00 0.65 H new ATOM 0 HG2 GLU A 675 10.059 8.753 0.021 1.00 0.94 H new ATOM 0 HG3 GLU A 675 9.736 9.370 1.629 1.00 0.94 H new ATOM 1063 N GLU A 676 12.898 5.385 1.180 1.00 0.57 N ATOM 1064 CA GLU A 676 13.593 4.246 1.774 1.00 0.61 C ATOM 1065 C GLU A 676 14.895 3.932 1.048 1.00 0.59 C ATOM 1066 O GLU A 676 15.932 3.725 1.676 1.00 0.72 O ATOM 1067 CB GLU A 676 12.701 3.016 1.761 1.00 0.69 C ATOM 1068 CG GLU A 676 11.315 3.249 2.334 1.00 0.93 C ATOM 1069 CD GLU A 676 11.349 3.764 3.759 1.00 1.87 C ATOM 1070 OE1 GLU A 676 11.391 2.932 4.690 1.00 1.96 O ATOM 1071 OE2 GLU A 676 11.334 4.999 3.945 1.00 2.77 O ATOM 0 H GLU A 676 11.987 5.160 0.781 1.00 0.57 H new ATOM 0 HA GLU A 676 13.833 4.518 2.802 1.00 0.61 H new ATOM 0 HB2 GLU A 676 12.603 2.662 0.735 1.00 0.69 H new ATOM 0 HB3 GLU A 676 13.188 2.222 2.327 1.00 0.69 H new ATOM 0 HG2 GLU A 676 10.783 3.964 1.707 1.00 0.93 H new ATOM 0 HG3 GLU A 676 10.752 2.316 2.303 1.00 0.93 H new ATOM 1078 N ARG A 677 14.833 3.887 -0.275 1.00 0.64 N ATOM 1079 CA ARG A 677 16.008 3.577 -1.087 1.00 0.63 C ATOM 1080 C ARG A 677 17.055 4.689 -1.035 1.00 0.72 C ATOM 1081 O ARG A 677 18.251 4.413 -0.938 1.00 0.82 O ATOM 1082 CB ARG A 677 15.593 3.311 -2.536 1.00 0.62 C ATOM 1083 CG ARG A 677 16.753 2.935 -3.443 1.00 0.66 C ATOM 1084 CD ARG A 677 17.088 4.056 -4.412 1.00 1.42 C ATOM 1085 NE ARG A 677 16.037 4.249 -5.408 1.00 1.87 N ATOM 1086 CZ ARG A 677 16.081 5.178 -6.358 1.00 2.84 C ATOM 1087 NH1 ARG A 677 17.110 6.011 -6.434 1.00 3.52 N ATOM 1088 NH2 ARG A 677 15.090 5.275 -7.235 1.00 3.48 N ATOM 0 H ARG A 677 13.983 4.061 -0.812 1.00 0.64 H new ATOM 0 HA ARG A 677 16.465 2.680 -0.669 1.00 0.63 H new ATOM 0 HB2 ARG A 677 14.855 2.509 -2.552 1.00 0.62 H new ATOM 0 HB3 ARG A 677 15.105 4.201 -2.934 1.00 0.62 H new ATOM 0 HG2 ARG A 677 17.629 2.702 -2.838 1.00 0.66 H new ATOM 0 HG3 ARG A 677 16.502 2.033 -4.001 1.00 0.66 H new ATOM 0 HD2 ARG A 677 17.237 4.983 -3.857 1.00 1.42 H new ATOM 0 HD3 ARG A 677 18.028 3.831 -4.916 1.00 1.42 H new ATOM 0 HE ARG A 677 15.223 3.636 -5.373 1.00 1.87 H new ATOM 0 HH11 ARG A 677 17.874 5.941 -5.761 1.00 3.52 H new ATOM 0 HH12 ARG A 677 17.138 6.722 -7.165 1.00 3.52 H new ATOM 0 HH21 ARG A 677 14.296 4.637 -7.180 1.00 3.48 H new ATOM 0 HH22 ARG A 677 15.122 5.987 -7.964 1.00 3.48 H new ATOM 1102 N ARG A 678 16.612 5.944 -1.098 1.00 0.73 N ATOM 1103 CA ARG A 678 17.536 7.078 -1.074 1.00 0.83 C ATOM 1104 C ARG A 678 18.308 7.141 0.240 1.00 0.95 C ATOM 1105 O ARG A 678 19.455 7.584 0.275 1.00 1.10 O ATOM 1106 CB ARG A 678 16.790 8.395 -1.310 1.00 0.80 C ATOM 1107 CG ARG A 678 15.975 8.865 -0.114 1.00 0.77 C ATOM 1108 CD ARG A 678 15.383 10.246 -0.350 1.00 0.88 C ATOM 1109 NE ARG A 678 14.754 10.784 0.853 1.00 1.64 N ATOM 1110 CZ ARG A 678 14.135 11.961 0.898 1.00 2.10 C ATOM 1111 NH1 ARG A 678 14.056 12.715 -0.190 1.00 1.83 N ATOM 1112 NH2 ARG A 678 13.595 12.382 2.032 1.00 3.13 N ATOM 0 H ARG A 678 15.627 6.201 -1.166 1.00 0.73 H new ATOM 0 HA ARG A 678 18.252 6.931 -1.882 1.00 0.83 H new ATOM 0 HB2 ARG A 678 17.512 9.168 -1.572 1.00 0.80 H new ATOM 0 HB3 ARG A 678 16.126 8.277 -2.166 1.00 0.80 H new ATOM 0 HG2 ARG A 678 15.173 8.153 0.083 1.00 0.77 H new ATOM 0 HG3 ARG A 678 16.608 8.886 0.773 1.00 0.77 H new ATOM 0 HD2 ARG A 678 16.168 10.925 -0.683 1.00 0.88 H new ATOM 0 HD3 ARG A 678 14.646 10.193 -1.151 1.00 0.88 H new ATOM 0 HE ARG A 678 14.791 10.226 1.706 1.00 1.64 H new ATOM 0 HH11 ARG A 678 14.470 12.393 -1.065 1.00 1.83 H new ATOM 0 HH12 ARG A 678 13.581 13.617 -0.152 1.00 1.83 H new ATOM 0 HH21 ARG A 678 13.654 11.804 2.870 1.00 3.13 H new ATOM 0 HH22 ARG A 678 13.120 13.284 2.067 1.00 3.13 H new ATOM 1126 N GLU A 679 17.670 6.699 1.314 1.00 0.93 N ATOM 1127 CA GLU A 679 18.296 6.707 2.632 1.00 1.07 C ATOM 1128 C GLU A 679 19.107 5.434 2.856 1.00 1.14 C ATOM 1129 O GLU A 679 20.307 5.489 3.125 1.00 1.37 O ATOM 1130 CB GLU A 679 17.234 6.853 3.723 1.00 1.10 C ATOM 1131 CG GLU A 679 16.488 8.177 3.670 1.00 1.13 C ATOM 1132 CD GLU A 679 17.393 9.369 3.910 1.00 2.03 C ATOM 1133 OE1 GLU A 679 17.985 9.871 2.931 1.00 2.90 O ATOM 1134 OE2 GLU A 679 17.514 9.799 5.077 1.00 2.10 O ATOM 0 H GLU A 679 16.719 6.330 1.301 1.00 0.93 H new ATOM 0 HA GLU A 679 18.974 7.559 2.681 1.00 1.07 H new ATOM 0 HB2 GLU A 679 16.517 6.037 3.632 1.00 1.10 H new ATOM 0 HB3 GLU A 679 17.710 6.752 4.698 1.00 1.10 H new ATOM 0 HG2 GLU A 679 16.009 8.280 2.697 1.00 1.13 H new ATOM 0 HG3 GLU A 679 15.694 8.172 4.417 1.00 1.13 H new ATOM 1141 N LYS A 680 18.441 4.290 2.746 1.00 1.20 N ATOM 1142 CA LYS A 680 19.096 3.000 2.933 1.00 1.38 C ATOM 1143 C LYS A 680 19.110 2.203 1.631 1.00 1.63 C ATOM 1144 O LYS A 680 18.357 1.242 1.471 1.00 2.24 O ATOM 1145 CB LYS A 680 18.385 2.200 4.027 1.00 1.77 C ATOM 1146 CG LYS A 680 18.218 2.963 5.333 1.00 2.33 C ATOM 1147 CD LYS A 680 19.561 3.290 5.968 1.00 2.92 C ATOM 1148 CE LYS A 680 19.388 4.030 7.284 1.00 3.92 C ATOM 1149 NZ LYS A 680 18.643 5.307 7.109 1.00 4.37 N ATOM 0 H LYS A 680 17.446 4.229 2.528 1.00 1.20 H new ATOM 0 HA LYS A 680 20.127 3.183 3.236 1.00 1.38 H new ATOM 0 HB2 LYS A 680 17.402 1.899 3.664 1.00 1.77 H new ATOM 0 HB3 LYS A 680 18.947 1.286 4.220 1.00 1.77 H new ATOM 0 HG2 LYS A 680 17.668 3.886 5.148 1.00 2.33 H new ATOM 0 HG3 LYS A 680 17.622 2.371 6.027 1.00 2.33 H new ATOM 0 HD2 LYS A 680 20.119 2.369 6.138 1.00 2.92 H new ATOM 0 HD3 LYS A 680 20.151 3.898 5.282 1.00 2.92 H new ATOM 0 HE2 LYS A 680 18.856 3.393 7.991 1.00 3.92 H new ATOM 0 HE3 LYS A 680 20.367 4.237 7.715 1.00 3.92 H new ATOM 0 HZ1 LYS A 680 18.734 5.883 7.970 1.00 4.37 H new ATOM 0 HZ2 LYS A 680 19.035 5.829 6.300 1.00 4.37 H new ATOM 0 HZ3 LYS A 680 17.638 5.102 6.935 1.00 4.37 H new ATOM 1163 N LYS A 681 19.971 2.609 0.703 1.00 1.65 N ATOM 1164 CA LYS A 681 20.084 1.936 -0.586 1.00 2.14 C ATOM 1165 C LYS A 681 20.561 0.497 -0.411 1.00 2.96 C ATOM 1166 O LYS A 681 20.354 -0.346 -1.283 1.00 3.54 O ATOM 1167 CB LYS A 681 21.047 2.697 -1.500 1.00 2.38 C ATOM 1168 CG LYS A 681 21.110 2.145 -2.915 1.00 3.10 C ATOM 1169 CD LYS A 681 22.056 2.953 -3.788 1.00 3.67 C ATOM 1170 CE LYS A 681 22.093 2.420 -5.212 1.00 4.60 C ATOM 1171 NZ LYS A 681 22.572 1.012 -5.266 1.00 5.45 N ATOM 0 H LYS A 681 20.602 3.402 0.820 1.00 1.65 H new ATOM 0 HA LYS A 681 19.095 1.918 -1.045 1.00 2.14 H new ATOM 0 HB2 LYS A 681 20.745 3.744 -1.541 1.00 2.38 H new ATOM 0 HB3 LYS A 681 22.046 2.670 -1.064 1.00 2.38 H new ATOM 0 HG2 LYS A 681 21.438 1.106 -2.887 1.00 3.10 H new ATOM 0 HG3 LYS A 681 20.112 2.153 -3.354 1.00 3.10 H new ATOM 0 HD2 LYS A 681 21.742 3.997 -3.797 1.00 3.67 H new ATOM 0 HD3 LYS A 681 23.059 2.925 -3.362 1.00 3.67 H new ATOM 0 HE2 LYS A 681 21.096 2.481 -5.648 1.00 4.60 H new ATOM 0 HE3 LYS A 681 22.745 3.049 -5.818 1.00 4.60 H new ATOM 0 HZ1 LYS A 681 22.777 0.752 -6.252 1.00 5.45 H new ATOM 0 HZ2 LYS A 681 23.437 0.918 -4.696 1.00 5.45 H new ATOM 0 HZ3 LYS A 681 21.837 0.381 -4.887 1.00 5.45 H new ATOM 1185 N ASN A 682 21.200 0.224 0.722 1.00 3.56 N ATOM 1186 CA ASN A 682 21.707 -1.113 1.009 1.00 4.66 C ATOM 1187 C ASN A 682 21.158 -1.631 2.334 1.00 5.24 C ATOM 1188 O ASN A 682 21.575 -2.683 2.819 1.00 5.77 O ATOM 1189 CB ASN A 682 23.237 -1.105 1.043 1.00 5.26 C ATOM 1190 CG ASN A 682 23.841 -0.699 -0.286 1.00 6.16 C ATOM 1191 OD1 ASN A 682 23.262 -0.941 -1.346 1.00 6.51 O ATOM 1192 ND2 ASN A 682 25.014 -0.077 -0.238 1.00 6.85 N ATOM 0 H ASN A 682 21.379 0.910 1.455 1.00 3.56 H new ATOM 0 HA ASN A 682 21.373 -1.780 0.214 1.00 4.66 H new ATOM 0 HB2 ASN A 682 23.577 -0.419 1.819 1.00 5.26 H new ATOM 0 HB3 ASN A 682 23.597 -2.097 1.315 1.00 5.26 H new ATOM 0 HD21 ASN A 682 25.470 0.220 -1.101 1.00 6.85 H new ATOM 0 HD22 ASN A 682 25.459 0.104 0.662 1.00 6.85 H new ATOM 1199 N LYS A 683 20.221 -0.884 2.912 1.00 5.54 N ATOM 1200 CA LYS A 683 19.606 -1.261 4.183 1.00 6.43 C ATOM 1201 C LYS A 683 20.662 -1.441 5.270 1.00 6.62 C ATOM 1202 O LYS A 683 20.979 -0.446 5.957 1.00 6.86 O ATOM 1203 CB LYS A 683 18.792 -2.547 4.020 1.00 7.01 C ATOM 1204 CG LYS A 683 18.030 -2.948 5.273 1.00 7.90 C ATOM 1205 CD LYS A 683 17.174 -4.185 5.038 1.00 8.52 C ATOM 1206 CE LYS A 683 18.028 -5.414 4.764 1.00 9.20 C ATOM 1207 NZ LYS A 683 17.199 -6.599 4.407 1.00 9.84 N ATOM 1208 OXT LYS A 683 21.163 -2.575 5.428 1.00 6.86 O ATOM 0 H LYS A 683 19.870 -0.011 2.519 1.00 5.54 H new ATOM 0 HA LYS A 683 18.938 -0.455 4.487 1.00 6.43 H new ATOM 0 HB2 LYS A 683 18.085 -2.418 3.201 1.00 7.01 H new ATOM 0 HB3 LYS A 683 19.463 -3.358 3.738 1.00 7.01 H new ATOM 0 HG2 LYS A 683 18.735 -3.141 6.082 1.00 7.90 H new ATOM 0 HG3 LYS A 683 17.396 -2.122 5.594 1.00 7.90 H new ATOM 0 HD2 LYS A 683 16.546 -4.365 5.911 1.00 8.52 H new ATOM 0 HD3 LYS A 683 16.505 -4.011 4.195 1.00 8.52 H new ATOM 0 HE2 LYS A 683 18.723 -5.199 3.952 1.00 9.20 H new ATOM 0 HE3 LYS A 683 18.628 -5.643 5.645 1.00 9.20 H new ATOM 0 HZ1 LYS A 683 17.819 -7.415 4.228 1.00 9.84 H new ATOM 0 HZ2 LYS A 683 16.553 -6.820 5.192 1.00 9.84 H new ATOM 0 HZ3 LYS A 683 16.646 -6.390 3.552 1.00 9.84 H new TER 1222 LYS A 683