USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 33 GLN : amide:sc= 0.791 K(o=3.2,f=-5.2) USER MOD Set 1.2: A 87 ASN : amide:sc= 2.42 K(o=3.2,f=-4.9!) USER MOD Set 2.1: A 79 TYR OH : rot -34:sc= 0.958 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.805 K(o=1.8,f=-0.33) USER MOD Set 3.1: A 53 GLN : amide:sc= 1.35 K(o=3.8,f=-8.4!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 175:sc= 2.42 (180deg=0.999) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -1.02 K(o=-2.3,f=-6.9!) USER MOD Set 4.2: A 24 ASN : amide:sc= -1.3 K(o=-2.3,f=-10!) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0.396 (180deg=0.266) USER MOD Single : A 14 ASN : amide:sc= 1.03 K(o=1,f=0.26) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.796 K(o=0.8,f=-0.035) USER MOD Single : A 30 HIS : no HE2:sc= -0.416 K(o=-0.42,f=-2.6) USER MOD Single : A 31 THR OG1 : rot -160:sc= -0.231 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 1.44 (180deg=1.16) USER MOD Single : A 39 GLN : amide:sc= 0.975 K(o=0.98,f=0) USER MOD Single : A 46 ASN : amide:sc= 2.04 K(o=2,f=-5.5!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.34 K(o=1.3,f=-0.22) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.204 (180deg=-0.204) USER MOD Single : A 81 TYR OH : rot 6:sc= 1.1 USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 2.07 (180deg=2) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 5.265 -11.664 3.230 1.00 0.00 N ATOM 24 CA LEU A 4 5.412 -10.441 3.989 1.00 0.00 C ATOM 25 C LEU A 4 6.850 -9.938 3.933 1.00 0.00 C ATOM 26 O LEU A 4 7.079 -8.747 4.104 1.00 0.00 O ATOM 27 CB LEU A 4 5.002 -10.674 5.447 1.00 0.00 C ATOM 28 CG LEU A 4 3.629 -11.340 5.625 1.00 0.00 C ATOM 29 CD1 LEU A 4 3.211 -11.194 7.087 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.527 -10.721 4.764 1.00 0.00 C ATOM 0 HA LEU A 4 4.762 -9.686 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.758 -11.294 5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.997 -9.716 5.967 1.00 0.00 H new ATOM 0 HG LEU A 4 3.741 -12.379 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.237 -11.661 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.948 -11.680 7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.149 -10.137 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.588 -11.244 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.412 -9.668 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.795 -10.809 3.711 1.00 0.00 H new ATOM 31 N ALA A 5 7.823 -10.826 3.728 1.00 0.00 N ATOM 32 CA ALA A 5 9.232 -10.470 3.727 1.00 0.00 C ATOM 33 C ALA A 5 9.587 -9.815 2.397 1.00 0.00 C ATOM 34 O ALA A 5 10.199 -8.749 2.381 1.00 0.00 O ATOM 35 CB ALA A 5 10.065 -11.728 3.987 1.00 0.00 C ATOM 0 H ALA A 5 7.649 -11.817 3.558 1.00 0.00 H new ATOM 0 HA ALA A 5 9.449 -9.752 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.124 -11.469 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.794 -12.150 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.871 -12.461 3.204 1.00 0.00 H new ATOM 36 N LEU A 6 9.167 -10.422 1.285 1.00 0.00 N ATOM 37 CA LEU A 6 9.260 -9.821 -0.032 1.00 0.00 C ATOM 38 C LEU A 6 8.523 -8.484 0.004 1.00 0.00 C ATOM 39 O LEU A 6 9.100 -7.437 -0.290 1.00 0.00 O ATOM 40 CB LEU A 6 8.643 -10.786 -1.056 1.00 0.00 C ATOM 41 CG LEU A 6 8.485 -10.169 -2.450 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.838 -9.862 -3.100 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.678 -11.107 -3.353 1.00 0.00 C ATOM 0 H LEU A 6 8.750 -11.353 1.282 1.00 0.00 H new ATOM 0 HA LEU A 6 10.295 -9.639 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.268 -11.676 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.666 -11.111 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 6 7.953 -9.225 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.677 -9.426 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.389 -9.157 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.411 -10.784 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.572 -10.659 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.196 -12.062 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.691 -11.269 -2.920 1.00 0.00 H new ATOM 44 N GLY A 7 7.244 -8.519 0.388 1.00 0.00 N ATOM 45 CA GLY A 7 6.431 -7.320 0.445 1.00 0.00 C ATOM 46 C GLY A 7 7.092 -6.239 1.299 1.00 0.00 C ATOM 47 O GLY A 7 7.163 -5.087 0.883 1.00 0.00 O ATOM 0 H GLY A 7 6.756 -9.371 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.269 -6.940 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.451 -7.562 0.856 1.00 0.00 H new ATOM 48 N LYS A 8 7.621 -6.594 2.472 1.00 0.00 N ATOM 49 CA LYS A 8 8.369 -5.664 3.293 1.00 0.00 C ATOM 50 C LYS A 8 9.565 -5.103 2.525 1.00 0.00 C ATOM 51 O LYS A 8 9.721 -3.893 2.450 1.00 0.00 O ATOM 52 CB LYS A 8 8.807 -6.329 4.601 1.00 0.00 C ATOM 53 CG LYS A 8 9.593 -5.302 5.414 1.00 0.00 C ATOM 54 CD LYS A 8 9.871 -5.800 6.836 1.00 0.00 C ATOM 55 CE LYS A 8 10.364 -4.709 7.808 1.00 0.00 C ATOM 56 NZ LYS A 8 10.846 -3.471 7.156 1.00 0.00 N ATOM 0 H LYS A 8 7.539 -7.530 2.870 1.00 0.00 H new ATOM 0 HA LYS A 8 7.718 -4.828 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.939 -6.675 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.423 -7.204 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.537 -5.086 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.034 -4.367 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.959 -6.242 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.617 -6.593 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.551 -4.453 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.170 -5.120 8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.093 -2.770 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.686 -3.686 6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.098 -3.087 6.545 1.00 0.00 H new ATOM 57 N ALA A 9 10.429 -5.963 1.990 1.00 0.00 N ATOM 58 CA ALA A 9 11.610 -5.541 1.241 1.00 0.00 C ATOM 59 C ALA A 9 11.250 -4.496 0.181 1.00 0.00 C ATOM 60 O ALA A 9 11.911 -3.464 0.067 1.00 0.00 O ATOM 61 CB ALA A 9 12.302 -6.756 0.614 1.00 0.00 C ATOM 0 H ALA A 9 10.329 -6.975 2.064 1.00 0.00 H new ATOM 0 HA ALA A 9 12.307 -5.071 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.181 -6.428 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.607 -7.447 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.612 -7.259 -0.063 1.00 0.00 H new ATOM 62 N VAL A 10 10.179 -4.742 -0.578 1.00 0.00 N ATOM 63 CA VAL A 10 9.662 -3.775 -1.527 1.00 0.00 C ATOM 64 C VAL A 10 9.246 -2.498 -0.791 1.00 0.00 C ATOM 65 O VAL A 10 9.696 -1.409 -1.150 1.00 0.00 O ATOM 66 CB VAL A 10 8.487 -4.404 -2.291 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.869 -3.404 -3.269 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.931 -5.632 -3.090 1.00 0.00 C ATOM 0 H VAL A 10 9.654 -5.616 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 10 10.431 -3.501 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 10 7.753 -4.699 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.040 -3.876 -3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.503 -2.536 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.623 -3.086 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.075 -6.052 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.695 -5.340 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.340 -6.380 -2.411 1.00 0.00 H new ATOM 69 N PHE A 11 8.385 -2.638 0.219 1.00 0.00 N ATOM 70 CA PHE A 11 7.828 -1.546 1.005 1.00 0.00 C ATOM 71 C PHE A 11 8.914 -0.583 1.476 1.00 0.00 C ATOM 72 O PHE A 11 8.901 0.606 1.158 1.00 0.00 O ATOM 73 CB PHE A 11 7.043 -2.110 2.193 1.00 0.00 C ATOM 74 CG PHE A 11 6.272 -1.063 2.960 1.00 0.00 C ATOM 75 CD1 PHE A 11 5.014 -0.647 2.490 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.863 -0.412 4.059 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.372 0.451 3.082 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.204 0.668 4.669 1.00 0.00 C ATOM 79 CZ PHE A 11 4.963 1.106 4.176 1.00 0.00 C ATOM 0 H PHE A 11 8.046 -3.552 0.520 1.00 0.00 H new ATOM 0 HA PHE A 11 7.149 -0.977 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.349 -2.868 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.735 -2.609 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.542 -1.173 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.821 -0.742 4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.423 0.793 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.652 1.163 5.518 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.464 1.945 4.637 1.00 0.00 H new ATOM 80 N ASP A 12 9.864 -1.133 2.225 1.00 0.00 N ATOM 81 CA ASP A 12 11.029 -0.472 2.765 1.00 0.00 C ATOM 82 C ASP A 12 11.730 0.386 1.706 1.00 0.00 C ATOM 83 O ASP A 12 12.174 1.491 2.011 1.00 0.00 O ATOM 84 CB ASP A 12 11.979 -1.553 3.299 1.00 0.00 C ATOM 85 CG ASP A 12 11.539 -2.233 4.591 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.359 -2.131 5.004 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.396 -2.895 5.216 1.00 0.00 O ATOM 0 H ASP A 12 9.831 -2.119 2.484 1.00 0.00 H new ATOM 0 HA ASP A 12 10.727 0.202 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.101 -2.316 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.959 -1.103 3.461 1.00 0.00 H new ATOM 88 N GLY A 13 11.849 -0.112 0.470 1.00 0.00 N ATOM 89 CA GLY A 13 12.551 0.604 -0.581 1.00 0.00 C ATOM 90 C GLY A 13 11.659 1.666 -1.217 1.00 0.00 C ATOM 91 O GLY A 13 12.094 2.790 -1.457 1.00 0.00 O ATOM 0 H GLY A 13 11.464 -1.011 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.444 1.074 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.884 -0.100 -1.344 1.00 0.00 H new ATOM 92 N ASN A 14 10.426 1.282 -1.555 1.00 0.00 N ATOM 93 CA ASN A 14 9.607 1.992 -2.530 1.00 0.00 C ATOM 94 C ASN A 14 8.551 2.880 -1.877 1.00 0.00 C ATOM 95 O ASN A 14 8.164 3.903 -2.441 1.00 0.00 O ATOM 96 CB ASN A 14 8.916 0.988 -3.461 1.00 0.00 C ATOM 97 CG ASN A 14 9.907 0.237 -4.341 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.180 0.642 -5.465 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.454 -0.867 -3.839 1.00 0.00 N ATOM 0 H ASN A 14 9.968 0.463 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 14 10.278 2.639 -3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.350 0.273 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.200 1.515 -4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.122 -1.403 -4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.206 -1.178 -2.900 1.00 0.00 H new ATOM 100 N CYS A 15 8.026 2.444 -0.733 1.00 0.00 N ATOM 101 CA CYS A 15 6.762 2.908 -0.179 1.00 0.00 C ATOM 102 C CYS A 15 7.031 3.714 1.090 1.00 0.00 C ATOM 103 O CYS A 15 6.521 4.823 1.261 1.00 0.00 O ATOM 104 CB CYS A 15 5.884 1.718 0.121 1.00 0.00 C ATOM 105 SG CYS A 15 5.748 0.526 -1.251 1.00 0.00 S ATOM 0 H CYS A 15 8.483 1.740 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 15 6.251 3.549 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.276 1.203 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.886 2.073 0.380 1.00 0.00 H new ATOM 0 HG CYS A 15 4.977 -0.458 -0.896 1.00 0.00 H new ATOM 106 N ALA A 16 7.878 3.162 1.968 1.00 0.00 N ATOM 107 CA ALA A 16 8.301 3.785 3.216 1.00 0.00 C ATOM 108 C ALA A 16 8.772 5.227 3.004 1.00 0.00 C ATOM 109 O ALA A 16 8.574 6.073 3.874 1.00 0.00 O ATOM 110 CB ALA A 16 9.406 2.942 3.855 1.00 0.00 C ATOM 0 H ALA A 16 8.296 2.244 1.820 1.00 0.00 H new ATOM 0 HA ALA A 16 7.442 3.828 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.724 3.406 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.028 1.940 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.255 2.878 3.174 1.00 0.00 H new ATOM 111 N ALA A 17 9.362 5.504 1.835 1.00 0.00 N ATOM 112 CA ALA A 17 9.694 6.844 1.364 1.00 0.00 C ATOM 113 C ALA A 17 8.617 7.874 1.728 1.00 0.00 C ATOM 114 O ALA A 17 8.948 8.962 2.193 1.00 0.00 O ATOM 115 CB ALA A 17 9.899 6.805 -0.153 1.00 0.00 C ATOM 0 H ALA A 17 9.628 4.775 1.173 1.00 0.00 H new ATOM 0 HA ALA A 17 10.612 7.159 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.148 7.804 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.712 6.120 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.983 6.463 -0.635 1.00 0.00 H new ATOM 116 N CYS A 18 7.343 7.530 1.507 1.00 0.00 N ATOM 117 CA CYS A 18 6.210 8.398 1.815 1.00 0.00 C ATOM 118 C CYS A 18 5.452 7.916 3.056 1.00 0.00 C ATOM 119 O CYS A 18 4.889 8.744 3.780 1.00 0.00 O ATOM 120 CB CYS A 18 5.278 8.486 0.636 1.00 0.00 C ATOM 121 SG CYS A 18 6.060 9.379 -0.737 1.00 0.00 S ATOM 0 H CYS A 18 7.071 6.632 1.106 1.00 0.00 H new ATOM 0 HA CYS A 18 6.605 9.391 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.999 7.484 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.359 8.994 0.930 1.00 0.00 H new ATOM 0 HG CYS A 18 5.236 9.439 -1.741 1.00 0.00 H new ATOM 122 N HIS A 19 5.418 6.592 3.264 1.00 0.00 N ATOM 123 CA HIS A 19 4.579 5.909 4.243 1.00 0.00 C ATOM 124 C HIS A 19 5.360 5.302 5.409 1.00 0.00 C ATOM 125 O HIS A 19 4.852 4.365 6.019 1.00 0.00 O ATOM 126 CB HIS A 19 3.820 4.791 3.518 1.00 0.00 C ATOM 127 CG HIS A 19 2.852 5.291 2.490 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.650 5.888 2.778 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.874 5.014 1.147 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.959 5.953 1.636 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.653 5.444 0.617 1.00 0.00 N ATOM 0 H HIS A 19 6.000 5.947 2.730 1.00 0.00 H new ATOM 0 HA HIS A 19 3.910 6.654 4.674 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.539 4.129 3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.280 4.194 4.253 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.342 6.220 3.692 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.682 4.551 0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.035 6.365 1.549 1.00 0.00 H new ATOM 132 N ALA A 20 6.558 5.801 5.730 1.00 0.00 N ATOM 133 CA ALA A 20 7.388 5.352 6.850 1.00 0.00 C ATOM 134 C ALA A 20 6.560 4.779 8.013 1.00 0.00 C ATOM 135 O ALA A 20 5.661 5.442 8.532 1.00 0.00 O ATOM 136 CB ALA A 20 8.271 6.509 7.321 1.00 0.00 C ATOM 0 H ALA A 20 6.991 6.556 5.197 1.00 0.00 H new ATOM 0 HA ALA A 20 8.014 4.533 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.890 6.178 8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.911 6.836 6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.642 7.339 7.643 1.00 0.00 H new ATOM 137 N GLY A 21 6.808 3.514 8.367 1.00 0.00 N ATOM 138 CA GLY A 21 5.865 2.732 9.152 1.00 0.00 C ATOM 139 C GLY A 21 4.668 2.409 8.258 1.00 0.00 C ATOM 140 O GLY A 21 4.819 1.658 7.301 1.00 0.00 O ATOM 0 H GLY A 21 7.661 3.013 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.333 1.815 9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.545 3.290 10.032 1.00 0.00 H new ATOM 141 N GLY A 22 3.511 3.017 8.536 1.00 0.00 N ATOM 142 CA GLY A 22 2.373 3.086 7.620 1.00 0.00 C ATOM 143 C GLY A 22 1.893 4.533 7.552 1.00 0.00 C ATOM 144 O GLY A 22 0.689 4.801 7.498 1.00 0.00 O ATOM 0 H GLY A 22 3.338 3.485 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.663 2.736 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.569 2.436 7.965 1.00 0.00 H new ATOM 145 N GLY A 23 2.850 5.461 7.622 1.00 0.00 N ATOM 146 CA GLY A 23 2.641 6.847 7.984 1.00 0.00 C ATOM 147 C GLY A 23 2.734 7.769 6.786 1.00 0.00 C ATOM 148 O GLY A 23 3.795 8.320 6.516 1.00 0.00 O ATOM 0 H GLY A 23 3.827 5.250 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.661 6.956 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.382 7.143 8.727 1.00 0.00 H new ATOM 149 N ASN A 24 1.608 7.959 6.098 1.00 0.00 N ATOM 150 CA ASN A 24 1.415 8.998 5.106 1.00 0.00 C ATOM 151 C ASN A 24 1.909 10.340 5.641 1.00 0.00 C ATOM 152 O ASN A 24 1.190 10.997 6.386 1.00 0.00 O ATOM 153 CB ASN A 24 -0.087 9.109 4.834 1.00 0.00 C ATOM 154 CG ASN A 24 -0.559 8.162 3.759 1.00 0.00 C ATOM 155 OD1 ASN A 24 -0.466 6.952 3.938 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.050 8.701 2.650 1.00 0.00 N ATOM 0 H ASN A 24 0.784 7.372 6.225 1.00 0.00 H new ATOM 0 HA ASN A 24 1.969 8.750 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.634 8.907 5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.324 10.132 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.374 8.101 1.891 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.103 9.715 2.556 1.00 0.00 H new ATOM 157 N ASN A 25 3.099 10.783 5.231 1.00 0.00 N ATOM 158 CA ASN A 25 3.527 12.145 5.541 1.00 0.00 C ATOM 159 C ASN A 25 2.793 13.160 4.658 1.00 0.00 C ATOM 160 O ASN A 25 2.515 14.271 5.099 1.00 0.00 O ATOM 161 CB ASN A 25 5.051 12.294 5.461 1.00 0.00 C ATOM 162 CG ASN A 25 5.538 12.496 4.031 1.00 0.00 C ATOM 163 OD1 ASN A 25 5.832 13.612 3.618 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.613 11.423 3.253 1.00 0.00 N ATOM 0 H ASN A 25 3.769 10.232 4.695 1.00 0.00 H new ATOM 0 HA ASN A 25 3.254 12.358 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.364 13.141 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.523 11.406 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.922 11.515 2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.362 10.506 3.623 1.00 0.00 H new ATOM 165 N VAL A 26 2.478 12.784 3.413 1.00 0.00 N ATOM 166 CA VAL A 26 1.918 13.702 2.426 1.00 0.00 C ATOM 167 C VAL A 26 0.509 14.160 2.830 1.00 0.00 C ATOM 168 O VAL A 26 0.243 15.357 2.888 1.00 0.00 O ATOM 169 CB VAL A 26 1.943 13.052 1.030 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.414 14.021 -0.041 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.361 12.602 0.649 1.00 0.00 C ATOM 0 H VAL A 26 2.606 11.834 3.066 1.00 0.00 H new ATOM 0 HA VAL A 26 2.535 14.600 2.387 1.00 0.00 H new ATOM 0 HB VAL A 26 1.294 12.177 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.443 13.536 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.387 14.299 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.037 14.915 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.345 12.147 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.027 13.465 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.719 11.874 1.377 1.00 0.00 H new ATOM 172 N ILE A 27 -0.393 13.207 3.090 1.00 0.00 N ATOM 173 CA ILE A 27 -1.763 13.458 3.540 1.00 0.00 C ATOM 174 C ILE A 27 -1.901 12.803 4.924 1.00 0.00 C ATOM 175 O ILE A 27 -2.201 11.610 4.990 1.00 0.00 O ATOM 176 CB ILE A 27 -2.766 12.933 2.488 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.535 13.665 1.149 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.210 13.156 2.964 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.590 13.371 0.078 1.00 0.00 C ATOM 0 H ILE A 27 -0.183 12.214 2.990 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.986 14.520 3.640 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.609 11.863 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.513 14.739 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.554 13.388 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.903 12.781 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.370 12.624 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.382 14.221 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.351 13.925 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.599 12.303 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.572 13.675 0.441 1.00 0.00 H new ATOM 180 N PRO A 28 -1.621 13.548 6.013 1.00 0.00 N ATOM 181 CA PRO A 28 -1.371 13.032 7.356 1.00 0.00 C ATOM 182 C PRO A 28 -2.294 11.918 7.846 1.00 0.00 C ATOM 183 O PRO A 28 -1.840 11.005 8.529 1.00 0.00 O ATOM 184 CB PRO A 28 -1.457 14.251 8.278 1.00 0.00 C ATOM 185 CG PRO A 28 -0.880 15.354 7.397 1.00 0.00 C ATOM 186 CD PRO A 28 -1.418 14.992 6.012 1.00 0.00 C ATOM 0 HA PRO A 28 -0.398 12.540 7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.483 14.464 8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.879 14.114 9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.212 16.342 7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.210 15.362 7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.352 15.515 5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.714 15.285 5.233 1.00 0.00 H new ATOM 187 N ASP A 29 -3.588 12.030 7.556 1.00 0.00 N ATOM 188 CA ASP A 29 -4.649 11.169 8.050 1.00 0.00 C ATOM 189 C ASP A 29 -4.890 9.961 7.143 1.00 0.00 C ATOM 190 O ASP A 29 -5.420 8.948 7.600 1.00 0.00 O ATOM 191 CB ASP A 29 -5.926 12.011 8.172 1.00 0.00 C ATOM 192 CG ASP A 29 -6.349 12.617 6.837 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.476 13.265 6.214 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.528 12.430 6.474 1.00 0.00 O ATOM 0 H ASP A 29 -3.938 12.762 6.938 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.354 10.769 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.733 11.389 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.764 12.809 8.896 1.00 0.00 H new ATOM 195 N HIS A 30 -4.490 10.015 5.869 1.00 0.00 N ATOM 196 CA HIS A 30 -4.834 8.988 4.885 1.00 0.00 C ATOM 197 C HIS A 30 -3.833 7.823 4.954 1.00 0.00 C ATOM 198 O HIS A 30 -3.362 7.329 3.933 1.00 0.00 O ATOM 199 CB HIS A 30 -4.937 9.681 3.516 1.00 0.00 C ATOM 200 CG HIS A 30 -5.628 8.919 2.410 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.499 7.581 2.128 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.381 9.471 1.406 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.135 7.343 0.968 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.677 8.468 0.480 1.00 0.00 N ATOM 0 H HIS A 30 -3.919 10.772 5.492 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.799 8.523 5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.461 10.627 3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.928 9.922 3.182 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.008 6.891 2.697 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.692 10.503 1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.201 6.375 0.493 1.00 0.00 H new ATOM 205 N THR A 31 -3.494 7.411 6.181 1.00 0.00 N ATOM 206 CA THR A 31 -2.426 6.484 6.539 1.00 0.00 C ATOM 207 C THR A 31 -2.731 5.050 6.102 1.00 0.00 C ATOM 208 O THR A 31 -3.881 4.721 5.843 1.00 0.00 O ATOM 209 CB THR A 31 -2.293 6.531 8.064 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.579 6.393 8.636 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.719 7.866 8.532 1.00 0.00 C ATOM 0 H THR A 31 -3.997 7.743 7.004 1.00 0.00 H new ATOM 0 HA THR A 31 -1.507 6.779 6.033 1.00 0.00 H new ATOM 0 HB THR A 31 -1.624 5.727 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.566 6.730 9.556 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.638 7.866 9.619 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.731 8.011 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.378 8.676 8.217 1.00 0.00 H new ATOM 212 N LEU A 32 -1.759 4.134 6.170 1.00 0.00 N ATOM 213 CA LEU A 32 -2.004 2.733 5.822 1.00 0.00 C ATOM 214 C LEU A 32 -2.732 1.957 6.936 1.00 0.00 C ATOM 215 O LEU A 32 -2.540 0.746 7.064 1.00 0.00 O ATOM 216 CB LEU A 32 -0.681 2.036 5.471 1.00 0.00 C ATOM 217 CG LEU A 32 0.181 2.772 4.435 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.333 1.862 4.005 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.611 3.140 3.183 1.00 0.00 C ATOM 0 H LEU A 32 -0.803 4.337 6.461 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.663 2.734 4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.099 1.912 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.902 1.037 5.095 1.00 0.00 H new ATOM 0 HG LEU A 32 0.541 3.688 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.949 2.378 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.941 1.609 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.931 0.949 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.041 3.659 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.998 2.233 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.441 3.791 3.456 1.00 0.00 H new ATOM 220 N GLN A 33 -3.553 2.621 7.756 1.00 0.00 N ATOM 221 CA GLN A 33 -4.273 1.941 8.825 1.00 0.00 C ATOM 222 C GLN A 33 -5.544 1.311 8.283 1.00 0.00 C ATOM 223 O GLN A 33 -6.063 1.717 7.242 1.00 0.00 O ATOM 224 CB GLN A 33 -4.667 2.884 9.962 1.00 0.00 C ATOM 225 CG GLN A 33 -3.513 3.608 10.647 1.00 0.00 C ATOM 226 CD GLN A 33 -2.238 2.793 10.827 1.00 0.00 C ATOM 227 OE1 GLN A 33 -2.111 2.046 11.790 1.00 0.00 O ATOM 228 NE2 GLN A 33 -1.268 2.940 9.928 1.00 0.00 N ATOM 0 H GLN A 33 -3.732 3.623 7.697 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.593 1.184 9.217 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.358 3.630 9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.210 2.311 10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.274 4.501 10.069 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.850 3.944 11.628 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.398 3.568 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.394 2.424 10.032 1.00 0.00 H new ATOM 229 N LYS A 34 -6.096 0.374 9.051 1.00 0.00 N ATOM 230 CA LYS A 34 -7.323 -0.305 8.673 1.00 0.00 C ATOM 231 C LYS A 34 -8.429 0.715 8.437 1.00 0.00 C ATOM 232 O LYS A 34 -8.924 0.864 7.325 1.00 0.00 O ATOM 233 CB LYS A 34 -7.701 -1.303 9.765 1.00 0.00 C ATOM 234 CG LYS A 34 -8.927 -2.123 9.357 1.00 0.00 C ATOM 235 CD LYS A 34 -8.851 -3.483 10.051 1.00 0.00 C ATOM 236 CE LYS A 34 -10.112 -4.329 9.820 1.00 0.00 C ATOM 237 NZ LYS A 34 -10.445 -4.490 8.389 1.00 0.00 N ATOM 0 H LYS A 34 -5.706 0.070 9.943 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.177 -0.853 7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.861 -1.970 9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.907 -0.771 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.842 -1.603 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.955 -2.251 8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.980 -4.027 9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.707 -3.334 11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.970 -5.313 10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.954 -3.864 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.184 -5.214 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.789 -3.585 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.596 -4.784 7.866 1.00 0.00 H new ATOM 238 N ALA A 35 -8.761 1.460 9.489 1.00 0.00 N ATOM 239 CA ALA A 35 -9.779 2.501 9.456 1.00 0.00 C ATOM 240 C ALA A 35 -9.560 3.502 8.314 1.00 0.00 C ATOM 241 O ALA A 35 -10.519 4.053 7.775 1.00 0.00 O ATOM 242 CB ALA A 35 -9.788 3.228 10.804 1.00 0.00 C ATOM 0 H ALA A 35 -8.321 1.353 10.403 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.743 2.026 9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.547 4.010 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.013 2.517 11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.810 3.675 10.983 1.00 0.00 H new ATOM 243 N ALA A 36 -8.303 3.775 7.959 1.00 0.00 N ATOM 244 CA ALA A 36 -7.984 4.776 6.953 1.00 0.00 C ATOM 245 C ALA A 36 -8.266 4.194 5.573 1.00 0.00 C ATOM 246 O ALA A 36 -8.946 4.825 4.766 1.00 0.00 O ATOM 247 CB ALA A 36 -6.532 5.214 7.115 1.00 0.00 C ATOM 0 H ALA A 36 -7.488 3.310 8.360 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.605 5.664 7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.292 5.964 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.389 5.639 8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.876 4.352 6.991 1.00 0.00 H new ATOM 248 N ILE A 37 -7.849 2.944 5.356 1.00 0.00 N ATOM 249 CA ILE A 37 -8.279 2.188 4.194 1.00 0.00 C ATOM 250 C ILE A 37 -9.805 2.187 4.110 1.00 0.00 C ATOM 251 O ILE A 37 -10.371 2.554 3.086 1.00 0.00 O ATOM 252 CB ILE A 37 -7.664 0.772 4.227 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.369 0.724 3.415 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.597 -0.308 3.673 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.302 -0.134 4.100 1.00 0.00 C ATOM 0 H ILE A 37 -7.214 2.440 5.975 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.917 2.660 3.281 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.479 0.564 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.576 0.323 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.989 1.736 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.103 -1.278 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.513 -0.335 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.841 -0.081 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.397 -0.143 3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.076 0.282 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.673 -1.153 4.214 1.00 0.00 H new ATOM 256 N GLU A 38 -10.486 1.765 5.170 1.00 0.00 N ATOM 257 CA GLU A 38 -11.910 1.510 5.095 1.00 0.00 C ATOM 258 C GLU A 38 -12.711 2.778 4.790 1.00 0.00 C ATOM 259 O GLU A 38 -13.744 2.706 4.129 1.00 0.00 O ATOM 260 CB GLU A 38 -12.345 0.780 6.368 1.00 0.00 C ATOM 261 CG GLU A 38 -11.710 -0.618 6.314 1.00 0.00 C ATOM 262 CD GLU A 38 -11.981 -1.488 7.525 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.040 -0.947 8.647 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.001 -2.724 7.325 1.00 0.00 O ATOM 0 H GLU A 38 -10.072 1.594 6.086 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.127 0.858 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.016 1.320 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.431 0.710 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.075 -1.133 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.632 -0.507 6.198 1.00 0.00 H new ATOM 265 N GLN A 39 -12.226 3.937 5.238 1.00 0.00 N ATOM 266 CA GLN A 39 -12.741 5.223 4.799 1.00 0.00 C ATOM 267 C GLN A 39 -12.347 5.514 3.348 1.00 0.00 C ATOM 268 O GLN A 39 -13.207 5.689 2.487 1.00 0.00 O ATOM 269 CB GLN A 39 -12.195 6.310 5.729 1.00 0.00 C ATOM 270 CG GLN A 39 -12.852 6.189 7.102 1.00 0.00 C ATOM 271 CD GLN A 39 -12.187 7.108 8.119 1.00 0.00 C ATOM 272 OE1 GLN A 39 -12.723 8.151 8.476 1.00 0.00 O ATOM 273 NE2 GLN A 39 -11.014 6.712 8.596 1.00 0.00 N ATOM 0 H GLN A 39 -11.466 4.004 5.915 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.830 5.206 4.842 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.113 6.213 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.391 7.296 5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.911 6.436 7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.790 5.157 7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.601 5.837 8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.525 7.283 9.286 1.00 0.00 H new ATOM 274 N PHE A 40 -11.045 5.660 3.102 1.00 0.00 N ATOM 275 CA PHE A 40 -10.532 6.319 1.906 1.00 0.00 C ATOM 276 C PHE A 40 -10.413 5.392 0.691 1.00 0.00 C ATOM 277 O PHE A 40 -10.645 5.836 -0.433 1.00 0.00 O ATOM 278 CB PHE A 40 -9.200 7.011 2.224 1.00 0.00 C ATOM 279 CG PHE A 40 -9.270 8.015 3.360 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.106 9.142 3.249 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.458 7.860 4.499 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.146 10.097 4.280 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.520 8.801 5.543 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.354 9.925 5.427 1.00 0.00 C ATOM 0 H PHE A 40 -10.316 5.323 3.730 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.268 7.069 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.460 6.250 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.846 7.519 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.719 9.273 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.786 7.017 4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.786 10.963 4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.926 8.659 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.386 10.657 6.220 1.00 0.00 H new ATOM 285 N LEU A 41 -10.025 4.128 0.879 1.00 0.00 N ATOM 286 CA LEU A 41 -9.852 3.179 -0.202 1.00 0.00 C ATOM 287 C LEU A 41 -11.168 2.924 -0.944 1.00 0.00 C ATOM 288 O LEU A 41 -11.998 2.146 -0.478 1.00 0.00 O ATOM 289 CB LEU A 41 -9.283 1.863 0.358 1.00 0.00 C ATOM 290 CG LEU A 41 -8.332 1.143 -0.603 1.00 0.00 C ATOM 291 CD1 LEU A 41 -8.785 1.176 -2.061 1.00 0.00 C ATOM 292 CD2 LEU A 41 -6.961 1.799 -0.463 1.00 0.00 C ATOM 0 H LEU A 41 -9.822 3.739 1.800 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.151 3.601 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.755 2.073 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.109 1.196 0.604 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.310 0.087 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.060 0.646 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.759 0.695 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.859 2.211 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.254 1.311 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.035 2.856 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.613 1.699 0.565 1.00 0.00 H new ATOM 293 N ASP A 42 -11.310 3.522 -2.130 1.00 0.00 N ATOM 294 CA ASP A 42 -12.339 3.249 -3.131 1.00 0.00 C ATOM 295 C ASP A 42 -12.925 1.830 -3.039 1.00 0.00 C ATOM 296 O ASP A 42 -14.095 1.663 -2.698 1.00 0.00 O ATOM 297 CB ASP A 42 -11.772 3.556 -4.532 1.00 0.00 C ATOM 298 CG ASP A 42 -10.368 3.004 -4.750 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.240 1.782 -4.954 1.00 0.00 O ATOM 300 OD2 ASP A 42 -9.417 3.812 -4.651 1.00 0.00 O ATOM 0 H ASP A 42 -10.669 4.255 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.185 3.906 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.440 3.139 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.757 4.636 -4.682 1.00 0.00 H new ATOM 301 N GLY A 43 -12.130 0.807 -3.352 1.00 0.00 N ATOM 302 CA GLY A 43 -12.570 -0.578 -3.383 1.00 0.00 C ATOM 303 C GLY A 43 -12.694 -1.242 -2.006 1.00 0.00 C ATOM 304 O GLY A 43 -13.217 -2.353 -1.934 1.00 0.00 O ATOM 0 H GLY A 43 -11.146 0.925 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.537 -0.627 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.869 -1.154 -3.987 1.00 0.00 H new ATOM 305 N GLY A 44 -12.238 -0.612 -0.916 1.00 0.00 N ATOM 306 CA GLY A 44 -12.426 -1.117 0.432 1.00 0.00 C ATOM 307 C GLY A 44 -11.298 -2.044 0.889 1.00 0.00 C ATOM 308 O GLY A 44 -10.265 -2.192 0.237 1.00 0.00 O ATOM 0 H GLY A 44 -11.725 0.269 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.499 -0.276 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.373 -1.654 0.483 1.00 0.00 H new ATOM 309 N PHE A 45 -11.504 -2.655 2.057 1.00 0.00 N ATOM 310 CA PHE A 45 -10.514 -3.488 2.737 1.00 0.00 C ATOM 311 C PHE A 45 -10.354 -4.845 2.034 1.00 0.00 C ATOM 312 O PHE A 45 -10.738 -5.880 2.577 1.00 0.00 O ATOM 313 CB PHE A 45 -10.862 -3.629 4.228 1.00 0.00 C ATOM 314 CG PHE A 45 -9.772 -4.212 5.115 1.00 0.00 C ATOM 315 CD1 PHE A 45 -8.765 -3.371 5.620 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.735 -5.588 5.414 1.00 0.00 C ATOM 317 CE1 PHE A 45 -7.615 -3.923 6.200 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.591 -6.141 6.016 1.00 0.00 C ATOM 319 CZ PHE A 45 -7.494 -5.316 6.318 1.00 0.00 C ATOM 0 H PHE A 45 -12.384 -2.582 2.567 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.543 -2.996 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.129 -2.645 4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.749 -4.257 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.878 -2.299 5.561 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.582 -6.216 5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.824 -3.278 6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.555 -7.196 6.245 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.560 -5.753 6.640 1.00 0.00 H new ATOM 320 N ASN A 46 -9.754 -4.866 0.840 1.00 0.00 N ATOM 321 CA ASN A 46 -9.440 -6.106 0.123 1.00 0.00 C ATOM 322 C ASN A 46 -8.169 -5.964 -0.702 1.00 0.00 C ATOM 323 O ASN A 46 -7.798 -4.865 -1.113 1.00 0.00 O ATOM 324 CB ASN A 46 -10.597 -6.583 -0.759 1.00 0.00 C ATOM 325 CG ASN A 46 -11.124 -5.490 -1.673 1.00 0.00 C ATOM 326 OD1 ASN A 46 -10.576 -5.246 -2.741 1.00 0.00 O ATOM 327 ND2 ASN A 46 -12.174 -4.804 -1.231 1.00 0.00 N ATOM 0 H ASN A 46 -9.472 -4.022 0.342 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.277 -6.867 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.264 -7.427 -1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.407 -6.944 -0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.555 -4.039 -1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.599 -5.043 -0.335 1.00 0.00 H new ATOM 328 N ILE A 47 -7.497 -7.098 -0.926 1.00 0.00 N ATOM 329 CA ILE A 47 -6.253 -7.191 -1.660 1.00 0.00 C ATOM 330 C ILE A 47 -6.428 -6.533 -3.025 1.00 0.00 C ATOM 331 O ILE A 47 -5.574 -5.758 -3.440 1.00 0.00 O ATOM 332 CB ILE A 47 -5.864 -8.677 -1.781 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.490 -9.309 -0.426 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.743 -8.882 -2.801 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.099 -8.914 0.078 1.00 0.00 C ATOM 0 H ILE A 47 -7.825 -8.002 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.449 -6.669 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.754 -9.194 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.232 -9.017 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.539 -10.394 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.494 -9.942 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.072 -8.531 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.862 -8.319 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.908 -9.398 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.347 -9.230 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.051 -7.832 0.202 1.00 0.00 H new ATOM 336 N GLU A 48 -7.531 -6.837 -3.708 1.00 0.00 N ATOM 337 CA GLU A 48 -7.816 -6.352 -5.049 1.00 0.00 C ATOM 338 C GLU A 48 -7.662 -4.834 -5.087 1.00 0.00 C ATOM 339 O GLU A 48 -6.838 -4.284 -5.817 1.00 0.00 O ATOM 340 CB GLU A 48 -9.223 -6.758 -5.495 1.00 0.00 C ATOM 341 CG GLU A 48 -9.602 -8.227 -5.278 1.00 0.00 C ATOM 342 CD GLU A 48 -10.055 -8.565 -3.861 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.160 -8.835 -3.028 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.279 -8.515 -3.618 1.00 0.00 O ATOM 0 H GLU A 48 -8.263 -7.440 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.105 -6.804 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.944 -6.136 -4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.325 -6.530 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.400 -8.489 -5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.744 -8.851 -5.529 1.00 0.00 H new ATOM 345 N ALA A 49 -8.465 -4.177 -4.256 1.00 0.00 N ATOM 346 CA ALA A 49 -8.455 -2.738 -4.057 1.00 0.00 C ATOM 347 C ALA A 49 -7.048 -2.216 -3.747 1.00 0.00 C ATOM 348 O ALA A 49 -6.591 -1.271 -4.391 1.00 0.00 O ATOM 349 CB ALA A 49 -9.442 -2.380 -2.947 1.00 0.00 C ATOM 0 H ALA A 49 -9.164 -4.652 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.765 -2.252 -4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.440 -1.301 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.443 -2.704 -3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.148 -2.880 -2.024 1.00 0.00 H new ATOM 350 N ILE A 50 -6.343 -2.815 -2.777 1.00 0.00 N ATOM 351 CA ILE A 50 -4.989 -2.396 -2.459 1.00 0.00 C ATOM 352 C ILE A 50 -4.114 -2.456 -3.715 1.00 0.00 C ATOM 353 O ILE A 50 -3.527 -1.448 -4.107 1.00 0.00 O ATOM 354 CB ILE A 50 -4.413 -3.242 -1.306 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.162 -3.092 0.034 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.939 -2.893 -1.100 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.383 -1.655 0.506 1.00 0.00 C ATOM 0 H ILE A 50 -6.693 -3.585 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.004 -1.362 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.538 -4.281 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.133 -3.580 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.606 -3.627 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.534 -3.492 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.384 -3.102 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.847 -1.835 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.918 -1.662 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.419 -1.162 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.970 -1.114 -0.236 1.00 0.00 H new ATOM 358 N VAL A 51 -4.019 -3.627 -4.352 1.00 0.00 N ATOM 359 CA VAL A 51 -3.199 -3.831 -5.525 1.00 0.00 C ATOM 360 C VAL A 51 -3.532 -2.765 -6.566 1.00 0.00 C ATOM 361 O VAL A 51 -2.643 -2.059 -7.036 1.00 0.00 O ATOM 362 CB VAL A 51 -3.424 -5.251 -6.074 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.645 -5.394 -7.372 1.00 0.00 C ATOM 364 CG2 VAL A 51 -2.905 -6.349 -5.138 1.00 0.00 C ATOM 0 H VAL A 51 -4.521 -4.464 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.144 -3.737 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.500 -5.373 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.792 -6.395 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.999 -4.656 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.584 -5.233 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.094 -7.326 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.833 -6.221 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.418 -6.282 -4.179 1.00 0.00 H new ATOM 365 N TYR A 52 -4.818 -2.623 -6.896 1.00 0.00 N ATOM 366 CA TYR A 52 -5.308 -1.616 -7.823 1.00 0.00 C ATOM 367 C TYR A 52 -4.780 -0.224 -7.457 1.00 0.00 C ATOM 368 O TYR A 52 -4.375 0.531 -8.344 1.00 0.00 O ATOM 369 CB TYR A 52 -6.841 -1.655 -7.846 1.00 0.00 C ATOM 370 CG TYR A 52 -7.475 -0.638 -8.771 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.605 -0.920 -10.144 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.897 0.608 -8.269 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.143 0.045 -11.012 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.420 1.578 -9.141 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.537 1.297 -10.514 1.00 0.00 C ATOM 376 OH TYR A 52 -9.054 2.231 -11.362 1.00 0.00 O ATOM 0 H TYR A 52 -5.555 -3.217 -6.517 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.938 -1.837 -8.824 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.163 -2.652 -8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.212 -1.490 -6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.291 -1.878 -10.530 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.819 0.818 -7.213 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.254 -0.177 -12.063 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.732 2.538 -8.757 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.277 3.042 -10.859 1.00 0.00 H new ATOM 377 N GLN A 53 -4.766 0.111 -6.162 1.00 0.00 N ATOM 378 CA GLN A 53 -4.276 1.389 -5.670 1.00 0.00 C ATOM 379 C GLN A 53 -2.813 1.576 -6.082 1.00 0.00 C ATOM 380 O GLN A 53 -2.466 2.545 -6.757 1.00 0.00 O ATOM 381 CB GLN A 53 -4.437 1.453 -4.136 1.00 0.00 C ATOM 382 CG GLN A 53 -4.597 2.892 -3.636 1.00 0.00 C ATOM 383 CD GLN A 53 -6.021 3.438 -3.762 1.00 0.00 C ATOM 384 OE1 GLN A 53 -6.303 4.531 -3.277 1.00 0.00 O ATOM 385 NE2 GLN A 53 -6.933 2.731 -4.428 1.00 0.00 N ATOM 0 H GLN A 53 -5.100 -0.509 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.859 2.199 -6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.306 0.867 -3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.568 0.999 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.292 2.939 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.920 3.538 -4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.685 1.825 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.879 3.096 -4.540 1.00 0.00 H new ATOM 386 N ILE A 54 -1.962 0.631 -5.671 1.00 0.00 N ATOM 387 CA ILE A 54 -0.531 0.626 -5.962 1.00 0.00 C ATOM 388 C ILE A 54 -0.293 0.666 -7.474 1.00 0.00 C ATOM 389 O ILE A 54 0.537 1.429 -7.966 1.00 0.00 O ATOM 390 CB ILE A 54 0.124 -0.604 -5.297 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.435 -0.371 -3.808 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.453 -0.992 -5.963 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.805 -0.432 -2.922 1.00 0.00 C ATOM 0 H ILE A 54 -2.259 -0.170 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.065 1.519 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.612 -1.400 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.152 -1.119 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.911 0.602 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.873 -1.862 -5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.278 -1.230 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.152 -0.159 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.519 -0.260 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.514 0.334 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.269 -1.414 -3.013 1.00 0.00 H new ATOM 394 N GLU A 55 -1.016 -0.174 -8.210 1.00 0.00 N ATOM 395 CA GLU A 55 -0.920 -0.267 -9.651 1.00 0.00 C ATOM 396 C GLU A 55 -1.149 1.117 -10.258 1.00 0.00 C ATOM 397 O GLU A 55 -0.246 1.676 -10.879 1.00 0.00 O ATOM 398 CB GLU A 55 -1.927 -1.320 -10.125 1.00 0.00 C ATOM 399 CG GLU A 55 -1.802 -1.727 -11.596 1.00 0.00 C ATOM 400 CD GLU A 55 -2.989 -2.597 -11.998 1.00 0.00 C ATOM 401 OE1 GLU A 55 -4.105 -2.035 -12.075 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.768 -3.810 -12.188 1.00 0.00 O ATOM 0 H GLU A 55 -1.696 -0.818 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 55 0.069 -0.587 -9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.814 -2.211 -9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.934 -0.939 -9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.762 -0.838 -12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.871 -2.272 -11.754 1.00 0.00 H new ATOM 403 N ASN A 56 -2.348 1.669 -10.046 1.00 0.00 N ATOM 404 CA ASN A 56 -2.869 2.792 -10.816 1.00 0.00 C ATOM 405 C ASN A 56 -2.465 4.163 -10.275 1.00 0.00 C ATOM 406 O ASN A 56 -2.396 5.114 -11.050 1.00 0.00 O ATOM 407 CB ASN A 56 -4.392 2.669 -10.937 1.00 0.00 C ATOM 408 CG ASN A 56 -4.761 1.449 -11.770 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.882 1.531 -12.988 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.892 0.307 -11.110 1.00 0.00 N ATOM 0 H ASN A 56 -2.989 1.340 -9.324 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.412 2.735 -11.804 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.837 2.588 -9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.801 3.569 -11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.102 -0.553 -11.616 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.782 0.288 -10.096 1.00 0.00 H new ATOM 411 N GLY A 57 -2.195 4.283 -8.973 1.00 0.00 N ATOM 412 CA GLY A 57 -1.737 5.533 -8.374 1.00 0.00 C ATOM 413 C GLY A 57 -2.860 6.562 -8.193 1.00 0.00 C ATOM 414 O GLY A 57 -3.887 6.509 -8.869 1.00 0.00 O ATOM 0 H GLY A 57 -2.288 3.516 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.288 5.321 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.955 5.964 -9.000 1.00 0.00 H new ATOM 415 N LYS A 58 -2.675 7.474 -7.234 1.00 0.00 N ATOM 416 CA LYS A 58 -3.632 8.476 -6.777 1.00 0.00 C ATOM 417 C LYS A 58 -3.012 9.882 -6.731 1.00 0.00 C ATOM 418 O LYS A 58 -1.865 10.082 -7.130 1.00 0.00 O ATOM 419 CB LYS A 58 -4.159 8.052 -5.394 1.00 0.00 C ATOM 420 CG LYS A 58 -4.971 6.753 -5.386 1.00 0.00 C ATOM 421 CD LYS A 58 -6.142 6.864 -6.370 1.00 0.00 C ATOM 422 CE LYS A 58 -7.235 5.807 -6.179 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.916 5.924 -4.875 1.00 0.00 N ATOM 0 H LYS A 58 -1.793 7.533 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.458 8.531 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.312 7.939 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.780 8.854 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.333 5.913 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.346 6.554 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.590 7.853 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.755 6.788 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.970 5.901 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.794 4.814 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.700 5.243 -4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.240 5.724 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.289 6.888 -4.763 1.00 0.00 H new ATOM 424 N GLY A 59 -3.808 10.853 -6.267 1.00 0.00 N ATOM 425 CA GLY A 59 -3.559 12.290 -6.276 1.00 0.00 C ATOM 426 C GLY A 59 -2.102 12.701 -6.119 1.00 0.00 C ATOM 427 O GLY A 59 -1.569 13.441 -6.944 1.00 0.00 O ATOM 0 H GLY A 59 -4.710 10.632 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.936 12.701 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.136 12.747 -5.472 1.00 0.00 H new ATOM 428 N ALA A 60 -1.477 12.237 -5.044 1.00 0.00 N ATOM 429 CA ALA A 60 -0.067 12.463 -4.760 1.00 0.00 C ATOM 430 C ALA A 60 0.620 11.134 -4.446 1.00 0.00 C ATOM 431 O ALA A 60 1.424 11.050 -3.517 1.00 0.00 O ATOM 432 CB ALA A 60 0.070 13.497 -3.636 1.00 0.00 C ATOM 0 H ALA A 60 -1.948 11.681 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 60 0.438 12.875 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.126 13.666 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.392 14.434 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.426 13.127 -2.739 1.00 0.00 H new ATOM 433 N MET A 61 0.325 10.110 -5.252 1.00 0.00 N ATOM 434 CA MET A 61 0.890 8.779 -5.130 1.00 0.00 C ATOM 435 C MET A 61 1.236 8.246 -6.522 1.00 0.00 C ATOM 436 O MET A 61 0.324 8.037 -7.322 1.00 0.00 O ATOM 437 CB MET A 61 -0.128 7.867 -4.448 1.00 0.00 C ATOM 438 CG MET A 61 0.346 6.412 -4.512 1.00 0.00 C ATOM 439 SD MET A 61 -0.262 5.353 -3.193 1.00 0.00 S ATOM 440 CE MET A 61 -0.304 3.721 -3.960 1.00 0.00 C ATOM 0 H MET A 61 -0.333 10.195 -6.027 1.00 0.00 H new ATOM 0 HA MET A 61 1.800 8.810 -4.530 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.261 8.169 -3.409 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.099 7.964 -4.935 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.039 5.988 -5.468 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.436 6.400 -4.493 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.664 2.989 -3.237 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.973 3.741 -4.821 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.699 3.446 -4.286 1.00 0.00 H new ATOM 441 N PRO A 62 2.521 7.987 -6.822 1.00 0.00 N ATOM 442 CA PRO A 62 2.923 7.383 -8.077 1.00 0.00 C ATOM 443 C PRO A 62 2.173 6.081 -8.344 1.00 0.00 C ATOM 444 O PRO A 62 1.906 5.304 -7.427 1.00 0.00 O ATOM 445 CB PRO A 62 4.427 7.112 -7.972 1.00 0.00 C ATOM 446 CG PRO A 62 4.901 8.075 -6.888 1.00 0.00 C ATOM 447 CD PRO A 62 3.679 8.239 -5.983 1.00 0.00 C ATOM 0 HA PRO A 62 2.691 8.052 -8.905 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.628 6.076 -7.701 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.933 7.297 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.753 7.672 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.216 9.029 -7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.715 7.539 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.641 9.242 -5.557 1.00 0.00 H new ATOM 448 N ALA A 63 1.883 5.842 -9.620 1.00 0.00 N ATOM 449 CA ALA A 63 1.392 4.569 -10.110 1.00 0.00 C ATOM 450 C ALA A 63 2.594 3.638 -10.250 1.00 0.00 C ATOM 451 O ALA A 63 3.664 4.095 -10.667 1.00 0.00 O ATOM 452 CB ALA A 63 0.717 4.824 -11.459 1.00 0.00 C ATOM 0 H ALA A 63 1.987 6.545 -10.352 1.00 0.00 H new ATOM 0 HA ALA A 63 0.668 4.109 -9.438 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.335 3.884 -11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.108 5.524 -11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.442 5.245 -12.155 1.00 0.00 H new ATOM 453 N TRP A 64 2.456 2.355 -9.911 1.00 0.00 N ATOM 454 CA TRP A 64 3.573 1.419 -9.921 1.00 0.00 C ATOM 455 C TRP A 64 3.423 0.391 -11.041 1.00 0.00 C ATOM 456 O TRP A 64 4.248 -0.522 -11.147 1.00 0.00 O ATOM 457 CB TRP A 64 3.726 0.804 -8.532 1.00 0.00 C ATOM 458 CG TRP A 64 4.163 1.792 -7.493 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.381 2.567 -6.708 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.526 2.197 -7.209 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.175 3.367 -5.910 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.516 3.178 -6.178 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.773 1.842 -7.755 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.700 3.743 -5.680 1.00 0.00 C ATOM 465 CZ3 TRP A 64 7.963 2.433 -7.296 1.00 0.00 C ATOM 466 CH2 TRP A 64 7.930 3.365 -6.243 1.00 0.00 C ATOM 0 H TRP A 64 1.569 1.940 -9.624 1.00 0.00 H new ATOM 0 HA TRP A 64 4.501 1.945 -10.144 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.775 0.365 -8.229 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.451 -0.008 -8.579 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.301 2.561 -6.705 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.816 4.016 -5.210 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.817 1.102 -8.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.666 4.460 -4.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 8.906 2.171 -7.753 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.849 3.789 -5.868 1.00 0.00 H new ATOM 467 N ASP A 65 2.419 0.572 -11.909 1.00 0.00 N ATOM 468 CA ASP A 65 2.202 -0.229 -13.081 1.00 0.00 C ATOM 469 C ASP A 65 3.511 -0.434 -13.852 1.00 0.00 C ATOM 470 O ASP A 65 4.185 0.520 -14.239 1.00 0.00 O ATOM 471 CB ASP A 65 1.104 0.418 -13.934 1.00 0.00 C ATOM 472 CG ASP A 65 1.477 1.793 -14.463 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.353 2.755 -13.678 1.00 0.00 O ATOM 474 OD2 ASP A 65 1.958 1.901 -15.612 1.00 0.00 O ATOM 0 H ASP A 65 1.723 1.309 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 65 1.862 -1.224 -12.795 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.876 -0.236 -14.775 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.195 0.501 -13.339 1.00 0.00 H new ATOM 475 N GLY A 66 3.916 -1.695 -13.992 1.00 0.00 N ATOM 476 CA GLY A 66 5.102 -2.100 -14.735 1.00 0.00 C ATOM 477 C GLY A 66 6.430 -1.588 -14.164 1.00 0.00 C ATOM 478 O GLY A 66 7.463 -1.773 -14.804 1.00 0.00 O ATOM 0 H GLY A 66 3.414 -2.481 -13.580 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.135 -3.189 -14.772 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.006 -1.749 -15.763 1.00 0.00 H new ATOM 479 N ARG A 67 6.433 -0.957 -12.985 1.00 0.00 N ATOM 480 CA ARG A 67 7.657 -0.553 -12.295 1.00 0.00 C ATOM 481 C ARG A 67 8.053 -1.638 -11.303 1.00 0.00 C ATOM 482 O ARG A 67 9.234 -1.947 -11.172 1.00 0.00 O ATOM 483 CB ARG A 67 7.452 0.809 -11.620 1.00 0.00 C ATOM 484 CG ARG A 67 7.458 1.898 -12.705 1.00 0.00 C ATOM 485 CD ARG A 67 6.339 2.928 -12.537 1.00 0.00 C ATOM 486 NE ARG A 67 5.917 3.423 -13.859 1.00 0.00 N ATOM 487 CZ ARG A 67 4.626 3.478 -14.222 1.00 0.00 C ATOM 488 NH1 ARG A 67 3.712 3.791 -13.308 1.00 0.00 N ATOM 489 NH2 ARG A 67 4.262 3.197 -15.475 1.00 0.00 N ATOM 0 H ARG A 67 5.580 -0.712 -12.482 1.00 0.00 H new ATOM 0 HA ARG A 67 8.474 -0.437 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.508 0.823 -11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.243 0.994 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.420 2.411 -12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.364 1.427 -13.683 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.492 2.478 -12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.685 3.758 -11.921 1.00 0.00 H new ATOM 0 HE ARG A 67 6.629 3.734 -14.520 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.996 3.985 -12.348 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.727 3.837 -13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.967 2.938 -16.165 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.279 3.241 -15.743 1.00 0.00 H new ATOM 490 N LEU A 68 7.058 -2.218 -10.633 1.00 0.00 N ATOM 491 CA LEU A 68 7.220 -3.418 -9.826 1.00 0.00 C ATOM 492 C LEU A 68 6.695 -4.607 -10.644 1.00 0.00 C ATOM 493 O LEU A 68 5.824 -4.413 -11.497 1.00 0.00 O ATOM 494 CB LEU A 68 6.447 -3.234 -8.510 1.00 0.00 C ATOM 495 CG LEU A 68 6.828 -1.968 -7.725 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.942 -1.847 -6.482 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.297 -1.930 -7.294 1.00 0.00 C ATOM 0 H LEU A 68 6.103 -1.859 -10.638 1.00 0.00 H new ATOM 0 HA LEU A 68 8.264 -3.604 -9.574 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.380 -3.204 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.617 -4.105 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 68 6.673 -1.129 -8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.214 -0.949 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.897 -1.784 -6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.084 -2.722 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.492 -1.008 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.510 -2.785 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.936 -1.969 -8.176 1.00 0.00 H new ATOM 498 N ASP A 69 7.210 -5.820 -10.410 1.00 0.00 N ATOM 499 CA ASP A 69 6.679 -7.042 -11.026 1.00 0.00 C ATOM 500 C ASP A 69 5.292 -7.351 -10.465 1.00 0.00 C ATOM 501 O ASP A 69 4.867 -6.793 -9.461 1.00 0.00 O ATOM 502 CB ASP A 69 7.633 -8.223 -10.797 1.00 0.00 C ATOM 503 CG ASP A 69 7.293 -9.513 -11.527 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.371 -10.200 -11.032 1.00 0.00 O ATOM 505 OD2 ASP A 69 7.923 -9.771 -12.573 1.00 0.00 O ATOM 0 H ASP A 69 8.004 -5.982 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 69 6.593 -6.882 -12.101 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.636 -7.916 -11.094 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.667 -8.433 -9.728 1.00 0.00 H new ATOM 506 N GLU A 70 4.603 -8.289 -11.094 1.00 0.00 N ATOM 507 CA GLU A 70 3.295 -8.760 -10.670 1.00 0.00 C ATOM 508 C GLU A 70 3.395 -9.378 -9.274 1.00 0.00 C ATOM 509 O GLU A 70 2.587 -9.076 -8.394 1.00 0.00 O ATOM 510 CB GLU A 70 2.751 -9.779 -11.682 1.00 0.00 C ATOM 511 CG GLU A 70 2.538 -9.162 -13.072 1.00 0.00 C ATOM 512 CD GLU A 70 1.835 -10.126 -14.024 1.00 0.00 C ATOM 513 OE1 GLU A 70 2.102 -11.343 -13.914 1.00 0.00 O ATOM 514 OE2 GLU A 70 1.034 -9.629 -14.845 1.00 0.00 O ATOM 0 H GLU A 70 4.946 -8.755 -11.934 1.00 0.00 H new ATOM 0 HA GLU A 70 2.603 -7.919 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.445 -10.616 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.806 -10.182 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.947 -8.251 -12.977 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.502 -8.875 -13.493 1.00 0.00 H new ATOM 515 N ASP A 71 4.394 -10.240 -9.069 1.00 0.00 N ATOM 516 CA ASP A 71 4.581 -10.918 -7.791 1.00 0.00 C ATOM 517 C ASP A 71 4.895 -9.886 -6.711 1.00 0.00 C ATOM 518 O ASP A 71 4.286 -9.839 -5.645 1.00 0.00 O ATOM 519 CB ASP A 71 5.721 -11.931 -7.916 1.00 0.00 C ATOM 520 CG ASP A 71 5.874 -12.737 -6.635 1.00 0.00 C ATOM 521 OD1 ASP A 71 4.911 -13.459 -6.299 1.00 0.00 O ATOM 522 OD2 ASP A 71 6.953 -12.619 -6.018 1.00 0.00 O ATOM 0 H ASP A 71 5.087 -10.483 -9.777 1.00 0.00 H new ATOM 0 HA ASP A 71 3.670 -11.448 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.526 -12.603 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.653 -11.410 -8.136 1.00 0.00 H new ATOM 523 N GLU A 72 5.839 -9.013 -7.043 1.00 0.00 N ATOM 524 CA GLU A 72 6.285 -7.902 -6.236 1.00 0.00 C ATOM 525 C GLU A 72 5.092 -7.049 -5.771 1.00 0.00 C ATOM 526 O GLU A 72 4.829 -6.939 -4.571 1.00 0.00 O ATOM 527 CB GLU A 72 7.286 -7.146 -7.110 1.00 0.00 C ATOM 528 CG GLU A 72 8.070 -6.120 -6.336 1.00 0.00 C ATOM 529 CD GLU A 72 9.147 -5.457 -7.181 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.038 -5.571 -8.422 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.055 -4.854 -6.571 1.00 0.00 O ATOM 0 H GLU A 72 6.336 -9.071 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 72 6.766 -8.215 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.975 -7.857 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.753 -6.653 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.390 -5.358 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.532 -6.596 -5.471 1.00 0.00 H new ATOM 532 N ILE A 73 4.347 -6.484 -6.728 1.00 0.00 N ATOM 533 CA ILE A 73 3.076 -5.787 -6.516 1.00 0.00 C ATOM 534 C ILE A 73 2.202 -6.583 -5.542 1.00 0.00 C ATOM 535 O ILE A 73 1.766 -6.072 -4.508 1.00 0.00 O ATOM 536 CB ILE A 73 2.334 -5.605 -7.862 1.00 0.00 C ATOM 537 CG1 ILE A 73 2.999 -4.614 -8.826 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.876 -5.194 -7.670 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.672 -3.135 -8.590 1.00 0.00 C ATOM 0 H ILE A 73 4.625 -6.501 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 73 3.280 -4.804 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 73 2.386 -6.594 -8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.079 -4.743 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.707 -4.874 -9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.399 -5.079 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.354 -5.961 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.833 -4.248 -7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.194 -2.525 -9.327 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.597 -2.980 -8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.991 -2.847 -7.588 1.00 0.00 H new ATOM 540 N ALA A 74 1.923 -7.841 -5.883 1.00 0.00 N ATOM 541 CA ALA A 74 1.077 -8.691 -5.057 1.00 0.00 C ATOM 542 C ALA A 74 1.613 -8.802 -3.625 1.00 0.00 C ATOM 543 O ALA A 74 0.834 -8.787 -2.671 1.00 0.00 O ATOM 544 CB ALA A 74 0.908 -10.067 -5.707 1.00 0.00 C ATOM 0 H ALA A 74 2.273 -8.292 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 74 0.093 -8.226 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.273 -10.691 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.446 -9.952 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.884 -10.539 -5.819 1.00 0.00 H new ATOM 545 N GLY A 75 2.936 -8.893 -3.457 1.00 0.00 N ATOM 546 CA GLY A 75 3.551 -9.107 -2.162 1.00 0.00 C ATOM 547 C GLY A 75 3.440 -7.831 -1.343 1.00 0.00 C ATOM 548 O GLY A 75 3.074 -7.876 -0.172 1.00 0.00 O ATOM 0 H GLY A 75 3.605 -8.819 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.060 -9.931 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.598 -9.386 -2.284 1.00 0.00 H new ATOM 549 N VAL A 76 3.726 -6.678 -1.950 1.00 0.00 N ATOM 550 CA VAL A 76 3.624 -5.400 -1.260 1.00 0.00 C ATOM 551 C VAL A 76 2.175 -5.124 -0.853 1.00 0.00 C ATOM 552 O VAL A 76 1.918 -4.745 0.293 1.00 0.00 O ATOM 553 CB VAL A 76 4.293 -4.281 -2.080 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.372 -3.486 -3.011 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.916 -3.248 -1.132 1.00 0.00 C ATOM 0 H VAL A 76 4.031 -6.608 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 76 4.183 -5.437 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 76 5.013 -4.814 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.952 -2.727 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.917 -4.161 -3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.590 -3.004 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.389 -2.458 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.138 -2.818 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.664 -3.734 -0.506 1.00 0.00 H new ATOM 556 N ALA A 77 1.218 -5.355 -1.761 1.00 0.00 N ATOM 557 CA ALA A 77 -0.187 -5.249 -1.413 1.00 0.00 C ATOM 558 C ALA A 77 -0.518 -6.167 -0.236 1.00 0.00 C ATOM 559 O ALA A 77 -1.049 -5.713 0.777 1.00 0.00 O ATOM 560 CB ALA A 77 -1.043 -5.592 -2.627 1.00 0.00 C ATOM 0 H ALA A 77 1.398 -5.614 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.404 -4.225 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.098 -5.512 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.818 -4.899 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.826 -6.611 -2.949 1.00 0.00 H new ATOM 561 N ALA A 78 -0.184 -7.454 -0.358 1.00 0.00 N ATOM 562 CA ALA A 78 -0.370 -8.421 0.712 1.00 0.00 C ATOM 563 C ALA A 78 0.245 -7.956 2.033 1.00 0.00 C ATOM 564 O ALA A 78 -0.371 -8.121 3.080 1.00 0.00 O ATOM 565 CB ALA A 78 0.218 -9.767 0.303 1.00 0.00 C ATOM 0 H ALA A 78 0.223 -7.850 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.443 -8.522 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.075 -10.487 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.284 -10.125 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.283 -9.653 0.103 1.00 0.00 H new ATOM 566 N TYR A 79 1.455 -7.396 2.002 1.00 0.00 N ATOM 567 CA TYR A 79 2.136 -6.922 3.195 1.00 0.00 C ATOM 568 C TYR A 79 1.322 -5.834 3.876 1.00 0.00 C ATOM 569 O TYR A 79 0.986 -5.945 5.054 1.00 0.00 O ATOM 570 CB TYR A 79 3.535 -6.414 2.839 1.00 0.00 C ATOM 571 CG TYR A 79 4.316 -5.870 4.018 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.547 -6.697 5.131 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.683 -4.512 4.069 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.069 -6.155 6.316 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.243 -3.979 5.244 1.00 0.00 C ATOM 576 CZ TYR A 79 5.399 -4.793 6.379 1.00 0.00 C ATOM 577 OH TYR A 79 5.765 -4.244 7.570 1.00 0.00 O ATOM 0 H TYR A 79 1.987 -7.261 1.143 1.00 0.00 H new ATOM 0 HA TYR A 79 2.240 -7.753 3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.101 -7.228 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.445 -5.632 2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.322 -7.752 5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.535 -3.880 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.217 -6.787 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.553 -2.945 5.274 1.00 0.00 H new ATOM 0 HH TYR A 79 5.268 -4.676 8.296 1.00 0.00 H new ATOM 578 N VAL A 80 0.992 -4.787 3.122 1.00 0.00 N ATOM 579 CA VAL A 80 0.149 -3.713 3.594 1.00 0.00 C ATOM 580 C VAL A 80 -1.154 -4.287 4.165 1.00 0.00 C ATOM 581 O VAL A 80 -1.597 -3.880 5.239 1.00 0.00 O ATOM 582 CB VAL A 80 -0.058 -2.745 2.422 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.206 -1.791 2.708 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.224 -1.942 2.163 1.00 0.00 C ATOM 0 H VAL A 80 1.310 -4.668 2.160 1.00 0.00 H new ATOM 0 HA VAL A 80 0.606 -3.158 4.413 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.301 -3.333 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.335 -1.114 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.123 -2.360 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.984 -1.214 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.063 -1.259 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.482 -1.371 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.038 -2.625 1.921 1.00 0.00 H new ATOM 585 N TYR A 81 -1.761 -5.248 3.465 1.00 0.00 N ATOM 586 CA TYR A 81 -2.984 -5.890 3.918 1.00 0.00 C ATOM 587 C TYR A 81 -2.789 -6.581 5.264 1.00 0.00 C ATOM 588 O TYR A 81 -3.586 -6.381 6.173 1.00 0.00 O ATOM 589 CB TYR A 81 -3.483 -6.883 2.865 1.00 0.00 C ATOM 590 CG TYR A 81 -4.960 -7.194 2.988 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.897 -6.187 2.696 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.404 -8.451 3.440 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.267 -6.431 2.866 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.781 -8.709 3.557 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.716 -7.703 3.259 1.00 0.00 C ATOM 596 OH TYR A 81 -9.051 -7.957 3.380 1.00 0.00 O ATOM 0 H TYR A 81 -1.415 -5.598 2.572 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.739 -5.116 4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.285 -6.479 1.872 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.915 -7.809 2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.561 -5.224 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.687 -9.217 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.980 -5.638 2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.121 -9.683 3.877 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.561 -7.183 3.062 1.00 0.00 H new ATOM 597 N ASP A 82 -1.741 -7.396 5.399 1.00 0.00 N ATOM 598 CA ASP A 82 -1.446 -8.140 6.614 1.00 0.00 C ATOM 599 C ASP A 82 -1.209 -7.183 7.784 1.00 0.00 C ATOM 600 O ASP A 82 -1.756 -7.357 8.882 1.00 0.00 O ATOM 601 CB ASP A 82 -0.221 -9.021 6.365 1.00 0.00 C ATOM 602 CG ASP A 82 -0.057 -10.047 7.467 1.00 0.00 C ATOM 603 OD1 ASP A 82 0.311 -9.637 8.589 1.00 0.00 O ATOM 604 OD2 ASP A 82 -0.339 -11.228 7.172 1.00 0.00 O ATOM 0 H ASP A 82 -1.065 -7.557 4.652 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.294 -8.772 6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.321 -9.527 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.672 -8.399 6.306 1.00 0.00 H new ATOM 605 N GLN A 83 -0.398 -6.149 7.536 1.00 0.00 N ATOM 606 CA GLN A 83 -0.178 -5.071 8.477 1.00 0.00 C ATOM 607 C GLN A 83 -1.520 -4.507 8.933 1.00 0.00 C ATOM 608 O GLN A 83 -1.838 -4.560 10.118 1.00 0.00 O ATOM 609 CB GLN A 83 0.667 -3.969 7.838 1.00 0.00 C ATOM 610 CG GLN A 83 2.145 -4.322 7.688 1.00 0.00 C ATOM 611 CD GLN A 83 2.909 -4.439 9.002 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.769 -5.305 9.152 1.00 0.00 O ATOM 613 NE2 GLN A 83 2.616 -3.575 9.967 1.00 0.00 N ATOM 0 H GLN A 83 0.124 -6.046 6.666 1.00 0.00 H new ATOM 0 HA GLN A 83 0.360 -5.460 9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.259 -3.738 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.580 -3.065 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.226 -5.267 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.625 -3.563 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.898 -2.866 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.109 -3.620 10.859 1.00 0.00 H new ATOM 614 N ALA A 84 -2.300 -3.975 7.993 1.00 0.00 N ATOM 615 CA ALA A 84 -3.551 -3.293 8.281 1.00 0.00 C ATOM 616 C ALA A 84 -4.566 -4.222 8.958 1.00 0.00 C ATOM 617 O ALA A 84 -5.245 -3.815 9.895 1.00 0.00 O ATOM 618 CB ALA A 84 -4.097 -2.680 6.991 1.00 0.00 C ATOM 0 H ALA A 84 -2.074 -4.008 6.999 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.363 -2.491 8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.036 -2.167 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.375 -1.967 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.270 -3.468 6.258 1.00 0.00 H new ATOM 619 N ALA A 85 -4.665 -5.480 8.523 1.00 0.00 N ATOM 620 CA ALA A 85 -5.601 -6.464 9.058 1.00 0.00 C ATOM 621 C ALA A 85 -5.435 -6.615 10.566 1.00 0.00 C ATOM 622 O ALA A 85 -6.410 -6.514 11.308 1.00 0.00 O ATOM 623 CB ALA A 85 -5.416 -7.815 8.357 1.00 0.00 C ATOM 0 H ALA A 85 -4.082 -5.849 7.772 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.613 -6.108 8.866 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.121 -8.538 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.597 -7.698 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.398 -8.171 8.516 1.00 0.00 H new ATOM 624 N GLY A 86 -4.196 -6.822 11.017 1.00 0.00 N ATOM 625 CA GLY A 86 -3.890 -6.863 12.443 1.00 0.00 C ATOM 626 C GLY A 86 -3.552 -5.476 12.997 1.00 0.00 C ATOM 627 O GLY A 86 -3.023 -5.385 14.101 1.00 0.00 O ATOM 0 H GLY A 86 -3.388 -6.964 10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.743 -7.272 12.985 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.050 -7.536 12.614 1.00 0.00 H new ATOM 628 N ASN A 87 -3.817 -4.422 12.215 1.00 0.00 N ATOM 629 CA ASN A 87 -3.325 -3.057 12.355 1.00 0.00 C ATOM 630 C ASN A 87 -1.996 -2.975 13.117 1.00 0.00 C ATOM 631 O ASN A 87 -1.881 -2.250 14.104 1.00 0.00 O ATOM 632 CB ASN A 87 -4.437 -2.151 12.897 1.00 0.00 C ATOM 633 CG ASN A 87 -4.175 -0.701 12.508 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.807 -0.169 11.594 1.00 0.00 O ATOM 635 ND2 ASN A 87 -3.216 -0.070 13.170 1.00 0.00 N ATOM 0 H ASN A 87 -4.430 -4.515 11.405 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.068 -2.674 11.367 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.401 -2.472 12.503 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.491 -2.239 13.982 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.978 0.892 12.929 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.716 -0.546 13.921 1.00 0.00 H new ATOM 636 N LYS A 88 -0.994 -3.728 12.648 1.00 0.00 N ATOM 637 CA LYS A 88 0.242 -3.992 13.364 1.00 0.00 C ATOM 638 C LYS A 88 1.399 -3.153 12.807 1.00 0.00 C ATOM 639 O LYS A 88 2.528 -3.635 12.699 1.00 0.00 O ATOM 640 CB LYS A 88 0.506 -5.510 13.332 1.00 0.00 C ATOM 641 CG LYS A 88 0.658 -6.112 11.924 1.00 0.00 C ATOM 642 CD LYS A 88 1.139 -7.571 11.944 1.00 0.00 C ATOM 643 CE LYS A 88 -0.008 -8.581 12.097 1.00 0.00 C ATOM 644 NZ LYS A 88 -0.711 -8.843 10.820 1.00 0.00 N ATOM 0 H LYS A 88 -1.030 -4.179 11.734 1.00 0.00 H new ATOM 0 HA LYS A 88 0.153 -3.687 14.407 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.413 -5.718 13.900 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.313 -6.017 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.300 -6.058 11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.364 -5.510 11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.680 -7.782 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.844 -7.704 12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.388 -9.518 12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.722 -8.206 12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.507 -9.491 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.070 -7.948 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.051 -9.274 10.142 1.00 0.00 H new ATOM 645 N TRP A 89 1.106 -1.914 12.408 1.00 0.00 N ATOM 646 CA TRP A 89 2.120 -0.911 12.121 1.00 0.00 C ATOM 647 C TRP A 89 2.795 -0.464 13.419 1.00 0.00 C ATOM 648 O TRP A 89 3.932 0.045 13.317 1.00 0.00 O ATOM 649 CB TRP A 89 1.455 0.272 11.420 1.00 0.00 C ATOM 650 CG TRP A 89 0.935 -0.044 10.057 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.363 -0.120 9.691 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.704 -0.385 8.867 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.437 -0.401 8.346 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.806 -0.557 7.777 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.071 -0.599 8.609 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.242 -0.859 6.478 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.510 -0.983 7.332 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.615 -1.044 6.251 1.00 0.00 C ATOM 659 OXT TRP A 89 2.154 -0.619 14.484 1.00 0.00 O ATOM 0 H TRP A 89 0.151 -1.581 12.276 1.00 0.00 H new ATOM 0 HA TRP A 89 2.887 -1.330 11.470 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.632 0.631 12.038 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.175 1.087 11.343 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.208 0.018 10.349 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.313 -0.484 7.830 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.791 -0.466 9.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.534 -0.948 5.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.549 -1.235 7.179 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.981 -1.232 5.252 1.00 0.00 H new