USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 1 GLN N :NH3+ 179:sc= -0.374 (180deg=-0.384) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -31:sc= 0.865 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0613 USER MOD Single : A 13 THR OG1 : rot -32:sc= 0.019 USER MOD Single : A 14 ASN : amide:sc= -0.949 X(o=-0.95,f=-0.55) USER MOD Single : A 19 LYS NZ :NH3+ -125:sc= -0.772 (180deg=-1.14) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 32 HIS : no HE2:sc= 0.218 K(o=0.22,f=-3.8!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.101 USER MOD Single : A 39 GLN : amide:sc= -1.79 K(o=-1.8,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 143:sc= -5.33! (180deg=-7.98!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.042 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2.9!) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= -2.84 (180deg=-4.52!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -122:sc=-0.00868 (180deg=-0.657) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.074 0.089 0.161 1.00 44.41 N ATOM 2 CA GLN A 1 2.003 -0.020 -0.958 1.00 21.42 C ATOM 3 C GLN A 1 1.796 -1.330 -1.711 1.00 32.31 C ATOM 4 O GLN A 1 1.880 -1.372 -2.938 1.00 65.35 O ATOM 5 CB GLN A 1 3.447 0.073 -0.461 1.00 33.13 C ATOM 6 CG GLN A 1 3.749 -0.852 0.708 1.00 52.34 C ATOM 7 CD GLN A 1 5.195 -0.773 1.155 1.00 30.13 C ATOM 8 OE1 GLN A 1 6.047 -0.235 0.448 1.00 3.54 O ATOM 9 NE2 GLN A 1 5.480 -1.311 2.335 1.00 33.24 N ATOM 0 H1 GLN A 1 1.245 0.981 0.669 1.00 44.41 H new ATOM 0 H2 GLN A 1 0.097 0.076 -0.196 1.00 44.41 H new ATOM 0 H3 GLN A 1 1.216 -0.711 0.810 1.00 44.41 H new ATOM 0 HA GLN A 1 1.808 0.806 -1.641 1.00 21.42 H new ATOM 0 HB2 GLN A 1 4.122 -0.163 -1.284 1.00 33.13 H new ATOM 0 HB3 GLN A 1 3.655 1.101 -0.163 1.00 33.13 H new ATOM 0 HG2 GLN A 1 3.099 -0.597 1.545 1.00 52.34 H new ATOM 0 HG3 GLN A 1 3.516 -1.878 0.424 1.00 52.34 H new ATOM 0 HE21 GLN A 1 4.742 -1.747 2.888 1.00 33.24 H new ATOM 0 HE22 GLN A 1 6.437 -1.288 2.688 1.00 33.24 H new ATOM 18 N TYR A 2 1.524 -2.397 -0.968 1.00 23.32 N ATOM 19 CA TYR A 2 1.308 -3.710 -1.565 1.00 53.42 C ATOM 20 C TYR A 2 0.284 -4.510 -0.766 1.00 12.21 C ATOM 21 O TYR A 2 -0.263 -4.026 0.226 1.00 74.55 O ATOM 22 CB TYR A 2 2.626 -4.481 -1.644 1.00 20.43 C ATOM 23 CG TYR A 2 3.535 -4.016 -2.759 1.00 75.21 C ATOM 24 CD1 TYR A 2 3.356 -4.467 -4.061 1.00 50.11 C ATOM 25 CD2 TYR A 2 4.571 -3.125 -2.511 1.00 2.21 C ATOM 26 CE1 TYR A 2 4.184 -4.045 -5.083 1.00 22.00 C ATOM 27 CE2 TYR A 2 5.403 -2.696 -3.527 1.00 25.30 C ATOM 28 CZ TYR A 2 5.206 -3.160 -4.811 1.00 43.41 C ATOM 29 OH TYR A 2 6.033 -2.736 -5.827 1.00 14.15 O ATOM 0 H TYR A 2 1.448 -2.379 0.049 1.00 23.32 H new ATOM 0 HA TYR A 2 0.920 -3.563 -2.573 1.00 53.42 H new ATOM 0 HB2 TYR A 2 3.151 -4.384 -0.694 1.00 20.43 H new ATOM 0 HB3 TYR A 2 2.410 -5.540 -1.781 1.00 20.43 H new ATOM 0 HD1 TYR A 2 2.556 -5.159 -4.278 1.00 50.11 H new ATOM 0 HD2 TYR A 2 4.729 -2.761 -1.506 1.00 2.21 H new ATOM 0 HE1 TYR A 2 4.032 -4.406 -6.089 1.00 22.00 H new ATOM 0 HE2 TYR A 2 6.203 -2.001 -3.317 1.00 25.30 H new ATOM 0 HH TYR A 2 6.700 -2.114 -5.468 1.00 14.15 H new ATOM 39 N LYS A 3 0.030 -5.738 -1.204 1.00 73.13 N ATOM 40 CA LYS A 3 -0.926 -6.609 -0.531 1.00 14.11 C ATOM 41 C LYS A 3 -0.209 -7.628 0.348 1.00 64.42 C ATOM 42 O LYS A 3 0.567 -8.448 -0.144 1.00 62.42 O ATOM 43 CB LYS A 3 -1.801 -7.331 -1.558 1.00 71.11 C ATOM 44 CG LYS A 3 -3.104 -7.859 -0.983 1.00 72.14 C ATOM 45 CD LYS A 3 -4.132 -8.114 -2.073 1.00 43.35 C ATOM 46 CE LYS A 3 -4.720 -6.814 -2.599 1.00 53.53 C ATOM 47 NZ LYS A 3 -6.066 -7.018 -3.204 1.00 64.32 N ATOM 0 H LYS A 3 0.474 -6.153 -2.023 1.00 73.13 H new ATOM 0 HA LYS A 3 -1.559 -5.989 0.104 1.00 14.11 H new ATOM 0 HB2 LYS A 3 -2.026 -6.647 -2.376 1.00 71.11 H new ATOM 0 HB3 LYS A 3 -1.238 -8.162 -1.983 1.00 71.11 H new ATOM 0 HG2 LYS A 3 -2.914 -8.783 -0.438 1.00 72.14 H new ATOM 0 HG3 LYS A 3 -3.503 -7.142 -0.266 1.00 72.14 H new ATOM 0 HD2 LYS A 3 -3.667 -8.662 -2.892 1.00 43.35 H new ATOM 0 HD3 LYS A 3 -4.931 -8.744 -1.681 1.00 43.35 H new ATOM 0 HE2 LYS A 3 -4.793 -6.093 -1.785 1.00 53.53 H new ATOM 0 HE3 LYS A 3 -4.048 -6.387 -3.343 1.00 53.53 H new ATOM 0 HZ1 LYS A 3 -6.432 -6.108 -3.550 1.00 64.32 H new ATOM 0 HZ2 LYS A 3 -5.992 -7.686 -3.997 1.00 64.32 H new ATOM 0 HZ3 LYS A 3 -6.714 -7.402 -2.487 1.00 64.32 H new ATOM 61 N ILE A 4 -0.474 -7.572 1.649 1.00 64.34 N ATOM 62 CA ILE A 4 0.145 -8.493 2.594 1.00 3.32 C ATOM 63 C ILE A 4 -0.317 -9.925 2.350 1.00 70.21 C ATOM 64 O ILE A 4 -1.416 -10.310 2.749 1.00 74.34 O ATOM 65 CB ILE A 4 -0.174 -8.103 4.050 1.00 63.43 C ATOM 66 CG1 ILE A 4 0.195 -6.640 4.302 1.00 60.02 C ATOM 67 CG2 ILE A 4 0.566 -9.016 5.016 1.00 4.14 C ATOM 68 CD1 ILE A 4 1.670 -6.351 4.133 1.00 42.22 C ATOM 0 H ILE A 4 -1.113 -6.899 2.072 1.00 64.34 H new ATOM 0 HA ILE A 4 1.222 -8.430 2.437 1.00 3.32 H new ATOM 0 HB ILE A 4 -1.245 -8.221 4.216 1.00 63.43 H new ATOM 0 HG12 ILE A 4 -0.371 -6.008 3.618 1.00 60.02 H new ATOM 0 HG13 ILE A 4 -0.107 -6.367 5.313 1.00 60.02 H new ATOM 0 HG21 ILE A 4 0.331 -8.728 6.041 1.00 4.14 H new ATOM 0 HG22 ILE A 4 0.258 -10.048 4.849 1.00 4.14 H new ATOM 0 HG23 ILE A 4 1.640 -8.926 4.851 1.00 4.14 H new ATOM 0 HD11 ILE A 4 1.858 -5.295 4.327 1.00 42.22 H new ATOM 0 HD12 ILE A 4 2.242 -6.957 4.836 1.00 42.22 H new ATOM 0 HD13 ILE A 4 1.974 -6.593 3.114 1.00 42.22 H new ATOM 80 N TYR A 5 0.530 -10.710 1.694 1.00 71.41 N ATOM 81 CA TYR A 5 0.208 -12.101 1.396 1.00 44.04 C ATOM 82 C TYR A 5 0.703 -13.025 2.505 1.00 44.55 C ATOM 83 O TYR A 5 1.578 -12.673 3.297 1.00 50.25 O ATOM 84 CB TYR A 5 0.826 -12.514 0.059 1.00 45.12 C ATOM 85 CG TYR A 5 -0.045 -12.196 -1.135 1.00 72.41 C ATOM 86 CD1 TYR A 5 -1.352 -12.662 -1.209 1.00 71.42 C ATOM 87 CD2 TYR A 5 0.438 -11.431 -2.189 1.00 61.44 C ATOM 88 CE1 TYR A 5 -2.152 -12.375 -2.298 1.00 72.54 C ATOM 89 CE2 TYR A 5 -0.355 -11.138 -3.282 1.00 32.33 C ATOM 90 CZ TYR A 5 -1.649 -11.613 -3.332 1.00 13.33 C ATOM 91 OH TYR A 5 -2.442 -11.324 -4.419 1.00 32.13 O ATOM 0 H TYR A 5 1.444 -10.407 1.358 1.00 71.41 H new ATOM 0 HA TYR A 5 -0.876 -12.190 1.331 1.00 44.04 H new ATOM 0 HB2 TYR A 5 1.786 -12.012 -0.058 1.00 45.12 H new ATOM 0 HB3 TYR A 5 1.027 -13.585 0.077 1.00 45.12 H new ATOM 0 HD1 TYR A 5 -1.749 -13.259 -0.401 1.00 71.42 H new ATOM 0 HD2 TYR A 5 1.451 -11.059 -2.154 1.00 61.44 H new ATOM 0 HE1 TYR A 5 -3.166 -12.745 -2.340 1.00 72.54 H new ATOM 0 HE2 TYR A 5 0.036 -10.541 -4.092 1.00 32.33 H new ATOM 0 HH TYR A 5 -3.380 -11.286 -4.139 1.00 32.13 H new ATOM 101 N PRO A 6 0.131 -14.236 2.563 1.00 25.31 N ATOM 102 CA PRO A 6 0.499 -15.237 3.569 1.00 33.22 C ATOM 103 C PRO A 6 1.898 -15.800 3.343 1.00 35.40 C ATOM 104 O PRO A 6 2.269 -16.133 2.217 1.00 33.33 O ATOM 105 CB PRO A 6 -0.555 -16.332 3.382 1.00 51.40 C ATOM 106 CG PRO A 6 -1.000 -16.191 1.967 1.00 12.33 C ATOM 107 CD PRO A 6 -0.917 -14.723 1.651 1.00 14.03 C ATOM 0 HA PRO A 6 0.522 -14.815 4.574 1.00 33.22 H new ATOM 0 HB2 PRO A 6 -0.136 -17.321 3.569 1.00 51.40 H new ATOM 0 HB3 PRO A 6 -1.387 -16.203 4.074 1.00 51.40 H new ATOM 0 HG2 PRO A 6 -0.364 -16.771 1.298 1.00 12.33 H new ATOM 0 HG3 PRO A 6 -2.017 -16.561 1.839 1.00 12.33 H new ATOM 0 HD2 PRO A 6 -0.653 -14.551 0.607 1.00 14.03 H new ATOM 0 HD3 PRO A 6 -1.868 -14.220 1.826 1.00 14.03 H new ATOM 115 N TYR A 7 2.669 -15.905 4.419 1.00 2.32 N ATOM 116 CA TYR A 7 4.028 -16.426 4.337 1.00 24.14 C ATOM 117 C TYR A 7 4.021 -17.922 4.037 1.00 50.11 C ATOM 118 O TYR A 7 4.915 -18.436 3.364 1.00 54.33 O ATOM 119 CB TYR A 7 4.778 -16.161 5.644 1.00 43.22 C ATOM 120 CG TYR A 7 6.127 -16.840 5.716 1.00 4.23 C ATOM 121 CD1 TYR A 7 7.229 -16.312 5.054 1.00 71.13 C ATOM 122 CD2 TYR A 7 6.300 -18.009 6.446 1.00 24.22 C ATOM 123 CE1 TYR A 7 8.463 -16.929 5.116 1.00 23.34 C ATOM 124 CE2 TYR A 7 7.531 -18.632 6.516 1.00 64.33 C ATOM 125 CZ TYR A 7 8.610 -18.089 5.849 1.00 14.30 C ATOM 126 OH TYR A 7 9.837 -18.707 5.915 1.00 61.24 O ATOM 0 H TYR A 7 2.376 -15.636 5.358 1.00 2.32 H new ATOM 0 HA TYR A 7 4.538 -15.912 3.522 1.00 24.14 H new ATOM 0 HB2 TYR A 7 4.915 -15.086 5.763 1.00 43.22 H new ATOM 0 HB3 TYR A 7 4.165 -16.499 6.480 1.00 43.22 H new ATOM 0 HD1 TYR A 7 7.118 -15.403 4.481 1.00 71.13 H new ATOM 0 HD2 TYR A 7 5.458 -18.438 6.968 1.00 24.22 H new ATOM 0 HE1 TYR A 7 9.308 -16.506 4.594 1.00 23.34 H new ATOM 0 HE2 TYR A 7 7.648 -19.539 7.090 1.00 64.33 H new ATOM 0 HH TYR A 7 10.328 -18.549 5.082 1.00 61.24 H new ATOM 136 N ASP A 8 3.006 -18.615 4.541 1.00 54.44 N ATOM 137 CA ASP A 8 2.879 -20.051 4.326 1.00 71.43 C ATOM 138 C ASP A 8 2.659 -20.363 2.849 1.00 54.44 C ATOM 139 O ASP A 8 3.076 -21.411 2.356 1.00 53.20 O ATOM 140 CB ASP A 8 1.723 -20.613 5.156 1.00 44.22 C ATOM 141 CG ASP A 8 0.456 -19.793 5.013 1.00 2.13 C ATOM 142 OD1 ASP A 8 0.430 -18.649 5.515 1.00 75.30 O ATOM 143 OD2 ASP A 8 -0.508 -20.294 4.399 1.00 35.34 O ATOM 0 H ASP A 8 2.259 -18.205 5.102 1.00 54.44 H new ATOM 0 HA ASP A 8 3.808 -20.524 4.644 1.00 71.43 H new ATOM 0 HB2 ASP A 8 1.524 -21.640 4.849 1.00 44.22 H new ATOM 0 HB3 ASP A 8 2.015 -20.645 6.206 1.00 44.22 H new ATOM 148 N SER A 9 2.000 -19.445 2.148 1.00 73.43 N ATOM 149 CA SER A 9 1.719 -19.624 0.728 1.00 65.12 C ATOM 150 C SER A 9 2.771 -18.922 -0.126 1.00 12.30 C ATOM 151 O SER A 9 3.014 -19.304 -1.271 1.00 63.23 O ATOM 152 CB SER A 9 0.328 -19.085 0.389 1.00 21.52 C ATOM 153 OG SER A 9 -0.359 -19.963 -0.486 1.00 52.31 O ATOM 0 H SER A 9 1.651 -18.570 2.540 1.00 73.43 H new ATOM 0 HA SER A 9 1.750 -20.691 0.508 1.00 65.12 H new ATOM 0 HB2 SER A 9 -0.248 -18.955 1.305 1.00 21.52 H new ATOM 0 HB3 SER A 9 0.418 -18.102 -0.074 1.00 21.52 H new ATOM 0 HG SER A 9 -1.246 -19.597 -0.686 1.00 52.31 H new ATOM 159 N LEU A 10 3.391 -17.892 0.439 1.00 22.04 N ATOM 160 CA LEU A 10 4.417 -17.134 -0.269 1.00 23.44 C ATOM 161 C LEU A 10 5.712 -17.934 -0.369 1.00 44.10 C ATOM 162 O LEU A 10 6.410 -17.879 -1.382 1.00 42.11 O ATOM 163 CB LEU A 10 4.679 -15.805 0.442 1.00 71.23 C ATOM 164 CG LEU A 10 3.889 -14.602 -0.074 1.00 15.15 C ATOM 165 CD1 LEU A 10 4.204 -13.363 0.751 1.00 73.51 C ATOM 166 CD2 LEU A 10 4.190 -14.356 -1.545 1.00 32.32 C ATOM 0 H LEU A 10 3.201 -17.562 1.385 1.00 22.04 H new ATOM 0 HA LEU A 10 4.056 -16.934 -1.278 1.00 23.44 H new ATOM 0 HB2 LEU A 10 4.457 -15.933 1.502 1.00 71.23 H new ATOM 0 HB3 LEU A 10 5.742 -15.577 0.364 1.00 71.23 H new ATOM 0 HG LEU A 10 2.826 -14.820 0.026 1.00 15.15 H new ATOM 0 HD11 LEU A 10 3.633 -12.517 0.369 1.00 73.51 H new ATOM 0 HD12 LEU A 10 3.936 -13.542 1.792 1.00 73.51 H new ATOM 0 HD13 LEU A 10 5.269 -13.142 0.683 1.00 73.51 H new ATOM 0 HD21 LEU A 10 3.619 -13.496 -1.894 1.00 32.32 H new ATOM 0 HD22 LEU A 10 5.255 -14.160 -1.671 1.00 32.32 H new ATOM 0 HD23 LEU A 10 3.913 -15.236 -2.125 1.00 32.32 H new ATOM 178 N ILE A 11 6.026 -18.677 0.687 1.00 60.34 N ATOM 179 CA ILE A 11 7.235 -19.491 0.715 1.00 3.45 C ATOM 180 C ILE A 11 7.334 -20.373 -0.524 1.00 41.14 C ATOM 181 O ILE A 11 6.423 -21.144 -0.825 1.00 72.02 O ATOM 182 CB ILE A 11 7.285 -20.381 1.971 1.00 72.42 C ATOM 183 CG1 ILE A 11 5.964 -21.134 2.141 1.00 33.22 C ATOM 184 CG2 ILE A 11 7.586 -19.543 3.204 1.00 54.41 C ATOM 185 CD1 ILE A 11 5.935 -22.037 3.355 1.00 54.14 C ATOM 0 H ILE A 11 5.460 -18.732 1.534 1.00 60.34 H new ATOM 0 HA ILE A 11 8.079 -18.801 0.734 1.00 3.45 H new ATOM 0 HB ILE A 11 8.085 -21.111 1.849 1.00 72.42 H new ATOM 0 HG12 ILE A 11 5.151 -20.412 2.216 1.00 33.22 H new ATOM 0 HG13 ILE A 11 5.779 -21.732 1.249 1.00 33.22 H new ATOM 0 HG21 ILE A 11 7.618 -20.187 4.083 1.00 54.41 H new ATOM 0 HG22 ILE A 11 8.550 -19.048 3.081 1.00 54.41 H new ATOM 0 HG23 ILE A 11 6.807 -18.792 3.333 1.00 54.41 H new ATOM 0 HD11 ILE A 11 4.969 -22.539 3.412 1.00 54.14 H new ATOM 0 HD12 ILE A 11 6.726 -22.782 3.273 1.00 54.14 H new ATOM 0 HD13 ILE A 11 6.089 -21.442 4.255 1.00 54.14 H new ATOM 197 N VAL A 12 8.448 -20.255 -1.240 1.00 71.35 N ATOM 198 CA VAL A 12 8.668 -21.044 -2.447 1.00 21.23 C ATOM 199 C VAL A 12 8.664 -22.537 -2.136 1.00 2.44 C ATOM 200 O VAL A 12 8.414 -23.365 -3.012 1.00 41.10 O ATOM 201 CB VAL A 12 10.002 -20.675 -3.123 1.00 30.42 C ATOM 202 CG1 VAL A 12 10.081 -19.176 -3.366 1.00 53.02 C ATOM 203 CG2 VAL A 12 11.176 -21.149 -2.279 1.00 35.22 C ATOM 0 H VAL A 12 9.212 -19.621 -1.005 1.00 71.35 H new ATOM 0 HA VAL A 12 7.848 -20.816 -3.128 1.00 21.23 H new ATOM 0 HB VAL A 12 10.051 -21.178 -4.089 1.00 30.42 H new ATOM 0 HG11 VAL A 12 11.030 -18.934 -3.844 1.00 53.02 H new ATOM 0 HG12 VAL A 12 9.260 -18.869 -4.014 1.00 53.02 H new ATOM 0 HG13 VAL A 12 10.010 -18.649 -2.415 1.00 53.02 H new ATOM 0 HG21 VAL A 12 12.110 -20.880 -2.772 1.00 35.22 H new ATOM 0 HG22 VAL A 12 11.134 -20.676 -1.298 1.00 35.22 H new ATOM 0 HG23 VAL A 12 11.126 -22.232 -2.162 1.00 35.22 H new ATOM 213 N THR A 13 8.943 -22.875 -0.880 1.00 51.23 N ATOM 214 CA THR A 13 8.972 -24.268 -0.453 1.00 4.45 C ATOM 215 C THR A 13 7.622 -24.939 -0.672 1.00 74.04 C ATOM 216 O THR A 13 7.528 -26.165 -0.725 1.00 4.44 O ATOM 217 CB THR A 13 9.358 -24.391 1.034 1.00 43.24 C ATOM 218 OG1 THR A 13 9.423 -25.771 1.410 1.00 1.11 O ATOM 219 CG2 THR A 13 8.353 -23.666 1.916 1.00 40.14 C ATOM 0 H THR A 13 9.152 -22.203 -0.142 1.00 51.23 H new ATOM 0 HA THR A 13 9.726 -24.769 -1.060 1.00 4.45 H new ATOM 0 HB THR A 13 10.336 -23.931 1.172 1.00 43.24 H new ATOM 0 HG1 THR A 13 8.772 -26.284 0.886 1.00 1.11 H new ATOM 0 HG21 THR A 13 8.647 -23.767 2.961 1.00 40.14 H new ATOM 0 HG22 THR A 13 8.328 -22.610 1.647 1.00 40.14 H new ATOM 0 HG23 THR A 13 7.364 -24.101 1.774 1.00 40.14 H new ATOM 227 N ASN A 14 6.577 -24.128 -0.801 1.00 52.23 N ATOM 228 CA ASN A 14 5.230 -24.644 -1.016 1.00 31.40 C ATOM 229 C ASN A 14 4.853 -24.585 -2.493 1.00 44.52 C ATOM 230 O ASN A 14 3.696 -24.792 -2.858 1.00 61.22 O ATOM 231 CB ASN A 14 4.218 -23.850 -0.188 1.00 4.43 C ATOM 232 CG ASN A 14 3.768 -24.601 1.050 1.00 15.43 C ATOM 233 OD1 ASN A 14 4.525 -24.750 2.009 1.00 13.04 O ATOM 234 ND2 ASN A 14 2.528 -25.078 1.034 1.00 3.31 N ATOM 0 H ASN A 14 6.637 -23.111 -0.760 1.00 52.23 H new ATOM 0 HA ASN A 14 5.213 -25.686 -0.696 1.00 31.40 H new ATOM 0 HB2 ASN A 14 4.661 -22.899 0.108 1.00 4.43 H new ATOM 0 HB3 ASN A 14 3.350 -23.619 -0.805 1.00 4.43 H new ATOM 0 HD21 ASN A 14 2.169 -25.592 1.839 1.00 3.31 H new ATOM 0 HD22 ASN A 14 1.935 -24.931 0.217 1.00 3.31 H new ATOM 241 N ARG A 15 5.839 -24.300 -3.338 1.00 53.13 N ATOM 242 CA ARG A 15 5.611 -24.212 -4.776 1.00 21.13 C ATOM 243 C ARG A 15 4.902 -25.461 -5.291 1.00 14.10 C ATOM 244 O ARG A 15 4.157 -25.404 -6.270 1.00 14.12 O ATOM 245 CB ARG A 15 6.938 -24.026 -5.513 1.00 42.53 C ATOM 246 CG ARG A 15 7.387 -22.576 -5.602 1.00 61.14 C ATOM 247 CD ARG A 15 8.857 -22.470 -5.978 1.00 73.12 C ATOM 248 NE ARG A 15 9.193 -23.319 -7.118 1.00 53.33 N ATOM 249 CZ ARG A 15 10.439 -23.587 -7.493 1.00 14.01 C ATOM 250 NH1 ARG A 15 11.461 -23.076 -6.821 1.00 10.01 N ATOM 251 NH2 ARG A 15 10.664 -24.368 -8.541 1.00 72.34 N ATOM 0 H ARG A 15 6.803 -24.126 -3.052 1.00 53.13 H new ATOM 0 HA ARG A 15 4.973 -23.349 -4.966 1.00 21.13 H new ATOM 0 HB2 ARG A 15 7.710 -24.606 -5.007 1.00 42.53 H new ATOM 0 HB3 ARG A 15 6.844 -24.431 -6.521 1.00 42.53 H new ATOM 0 HG2 ARG A 15 6.782 -22.052 -6.342 1.00 61.14 H new ATOM 0 HG3 ARG A 15 7.219 -22.082 -4.645 1.00 61.14 H new ATOM 0 HD2 ARG A 15 9.097 -21.433 -6.215 1.00 73.12 H new ATOM 0 HD3 ARG A 15 9.471 -22.752 -5.123 1.00 73.12 H new ATOM 0 HE ARG A 15 8.429 -23.729 -7.656 1.00 53.33 H new ATOM 0 HH11 ARG A 15 11.292 -22.476 -6.014 1.00 10.01 H new ATOM 0 HH12 ARG A 15 12.417 -23.283 -7.111 1.00 10.01 H new ATOM 0 HH21 ARG A 15 9.880 -24.764 -9.060 1.00 72.34 H new ATOM 0 HH22 ARG A 15 11.621 -24.573 -8.828 1.00 72.34 H new ATOM 265 N ILE A 16 5.139 -26.587 -4.626 1.00 53.51 N ATOM 266 CA ILE A 16 4.522 -27.848 -5.017 1.00 21.23 C ATOM 267 C ILE A 16 3.045 -27.878 -4.640 1.00 31.03 C ATOM 268 O ILE A 16 2.220 -28.437 -5.363 1.00 43.12 O ATOM 269 CB ILE A 16 5.232 -29.048 -4.362 1.00 72.10 C ATOM 270 CG1 ILE A 16 4.593 -30.360 -4.823 1.00 12.23 C ATOM 271 CG2 ILE A 16 5.180 -28.931 -2.846 1.00 62.20 C ATOM 272 CD1 ILE A 16 4.645 -30.564 -6.321 1.00 12.04 C ATOM 0 H ILE A 16 5.754 -26.651 -3.814 1.00 53.51 H new ATOM 0 HA ILE A 16 4.619 -27.925 -6.100 1.00 21.23 H new ATOM 0 HB ILE A 16 6.277 -29.046 -4.671 1.00 72.10 H new ATOM 0 HG12 ILE A 16 5.098 -31.192 -4.333 1.00 12.23 H new ATOM 0 HG13 ILE A 16 3.553 -30.382 -4.497 1.00 12.23 H new ATOM 0 HG21 ILE A 16 5.686 -29.786 -2.398 1.00 62.20 H new ATOM 0 HG22 ILE A 16 5.676 -28.012 -2.535 1.00 62.20 H new ATOM 0 HG23 ILE A 16 4.141 -28.911 -2.518 1.00 62.20 H new ATOM 0 HD11 ILE A 16 4.174 -31.514 -6.575 1.00 12.04 H new ATOM 0 HD12 ILE A 16 4.115 -29.751 -6.817 1.00 12.04 H new ATOM 0 HD13 ILE A 16 5.684 -30.574 -6.651 1.00 12.04 H new ATOM 284 N ARG A 17 2.717 -27.271 -3.504 1.00 24.45 N ATOM 285 CA ARG A 17 1.339 -27.228 -3.030 1.00 41.34 C ATOM 286 C ARG A 17 0.533 -26.186 -3.800 1.00 53.14 C ATOM 287 O ARG A 17 -0.530 -26.486 -4.345 1.00 63.10 O ATOM 288 CB ARG A 17 1.301 -26.914 -1.534 1.00 11.33 C ATOM 289 CG ARG A 17 2.331 -27.684 -0.723 1.00 52.43 C ATOM 290 CD ARG A 17 2.225 -29.181 -0.966 1.00 74.03 C ATOM 291 NE ARG A 17 3.192 -29.934 -0.172 1.00 74.34 N ATOM 292 CZ ARG A 17 3.019 -30.228 1.111 1.00 12.15 C ATOM 293 NH1 ARG A 17 1.922 -29.834 1.743 1.00 14.01 N ATOM 294 NH2 ARG A 17 3.944 -30.917 1.766 1.00 24.31 N ATOM 0 H ARG A 17 3.387 -26.802 -2.895 1.00 24.45 H new ATOM 0 HA ARG A 17 0.892 -28.207 -3.200 1.00 41.34 H new ATOM 0 HB2 ARG A 17 1.464 -25.846 -1.391 1.00 11.33 H new ATOM 0 HB3 ARG A 17 0.306 -27.139 -1.149 1.00 11.33 H new ATOM 0 HG2 ARG A 17 3.332 -27.342 -0.985 1.00 52.43 H new ATOM 0 HG3 ARG A 17 2.190 -27.476 0.338 1.00 52.43 H new ATOM 0 HD2 ARG A 17 1.217 -29.517 -0.724 1.00 74.03 H new ATOM 0 HD3 ARG A 17 2.385 -29.389 -2.024 1.00 74.03 H new ATOM 0 HE ARG A 17 4.047 -30.251 -0.628 1.00 74.34 H new ATOM 0 HH11 ARG A 17 1.208 -29.304 1.243 1.00 14.01 H new ATOM 0 HH12 ARG A 17 1.792 -30.061 2.729 1.00 14.01 H new ATOM 0 HH21 ARG A 17 4.790 -31.222 1.284 1.00 24.31 H new ATOM 0 HH22 ARG A 17 3.810 -31.142 2.752 1.00 24.31 H new ATOM 308 N VAL A 18 1.045 -24.960 -3.841 1.00 0.02 N ATOM 309 CA VAL A 18 0.373 -23.874 -4.544 1.00 45.41 C ATOM 310 C VAL A 18 1.376 -22.837 -5.039 1.00 53.11 C ATOM 311 O VAL A 18 2.415 -22.616 -4.418 1.00 5.11 O ATOM 312 CB VAL A 18 -0.665 -23.179 -3.643 1.00 44.30 C ATOM 313 CG1 VAL A 18 0.017 -22.513 -2.457 1.00 65.44 C ATOM 314 CG2 VAL A 18 -1.470 -22.166 -4.442 1.00 53.24 C ATOM 0 H VAL A 18 1.923 -24.694 -3.395 1.00 0.02 H new ATOM 0 HA VAL A 18 -0.138 -24.318 -5.398 1.00 45.41 H new ATOM 0 HB VAL A 18 -1.351 -23.934 -3.260 1.00 44.30 H new ATOM 0 HG11 VAL A 18 -0.732 -22.027 -1.832 1.00 65.44 H new ATOM 0 HG12 VAL A 18 0.545 -23.265 -1.872 1.00 65.44 H new ATOM 0 HG13 VAL A 18 0.727 -21.768 -2.817 1.00 65.44 H new ATOM 0 HG21 VAL A 18 -2.199 -21.684 -3.790 1.00 53.24 H new ATOM 0 HG22 VAL A 18 -0.799 -21.413 -4.855 1.00 53.24 H new ATOM 0 HG23 VAL A 18 -1.990 -22.674 -5.254 1.00 53.24 H new ATOM 324 N LYS A 19 1.056 -22.202 -6.162 1.00 23.31 N ATOM 325 CA LYS A 19 1.927 -21.186 -6.741 1.00 70.43 C ATOM 326 C LYS A 19 1.482 -19.788 -6.327 1.00 12.40 C ATOM 327 O LYS A 19 0.361 -19.596 -5.854 1.00 74.41 O ATOM 328 CB LYS A 19 1.933 -21.300 -8.267 1.00 75.25 C ATOM 329 CG LYS A 19 0.547 -21.244 -8.887 1.00 33.14 C ATOM 330 CD LYS A 19 0.251 -22.489 -9.706 1.00 63.03 C ATOM 331 CE LYS A 19 -0.278 -23.618 -8.835 1.00 13.52 C ATOM 332 NZ LYS A 19 0.824 -24.417 -8.233 1.00 21.35 N ATOM 0 H LYS A 19 0.200 -22.373 -6.689 1.00 23.31 H new ATOM 0 HA LYS A 19 2.937 -21.352 -6.366 1.00 70.43 H new ATOM 0 HB2 LYS A 19 2.540 -20.494 -8.681 1.00 75.25 H new ATOM 0 HB3 LYS A 19 2.411 -22.237 -8.551 1.00 75.25 H new ATOM 0 HG2 LYS A 19 -0.200 -21.139 -8.100 1.00 33.14 H new ATOM 0 HG3 LYS A 19 0.467 -20.362 -9.522 1.00 33.14 H new ATOM 0 HD2 LYS A 19 -0.480 -22.252 -10.479 1.00 63.03 H new ATOM 0 HD3 LYS A 19 1.158 -22.815 -10.215 1.00 63.03 H new ATOM 0 HE2 LYS A 19 -0.901 -23.204 -8.042 1.00 13.52 H new ATOM 0 HE3 LYS A 19 -0.915 -24.270 -9.433 1.00 13.52 H new ATOM 0 HZ1 LYS A 19 0.697 -25.421 -8.474 1.00 21.35 H new ATOM 0 HZ2 LYS A 19 1.737 -24.085 -8.604 1.00 21.35 H new ATOM 0 HZ3 LYS A 19 0.809 -24.305 -7.199 1.00 21.35 H new ATOM 346 N LEU A 20 2.366 -18.813 -6.508 1.00 55.54 N ATOM 347 CA LEU A 20 2.063 -17.430 -6.155 1.00 12.13 C ATOM 348 C LEU A 20 1.012 -16.845 -7.093 1.00 70.42 C ATOM 349 O LEU A 20 0.871 -17.262 -8.243 1.00 53.22 O ATOM 350 CB LEU A 20 3.334 -16.581 -6.202 1.00 2.41 C ATOM 351 CG LEU A 20 4.477 -17.032 -5.292 1.00 11.23 C ATOM 352 CD1 LEU A 20 5.791 -16.407 -5.734 1.00 53.35 C ATOM 353 CD2 LEU A 20 4.177 -16.676 -3.843 1.00 33.52 C ATOM 0 H LEU A 20 3.298 -18.954 -6.897 1.00 55.54 H new ATOM 0 HA LEU A 20 1.663 -17.420 -5.141 1.00 12.13 H new ATOM 0 HB2 LEU A 20 3.699 -16.565 -7.229 1.00 2.41 H new ATOM 0 HB3 LEU A 20 3.072 -15.556 -5.941 1.00 2.41 H new ATOM 0 HG LEU A 20 4.570 -18.115 -5.368 1.00 11.23 H new ATOM 0 HD11 LEU A 20 6.592 -16.740 -5.074 1.00 53.35 H new ATOM 0 HD12 LEU A 20 6.013 -16.712 -6.757 1.00 53.35 H new ATOM 0 HD13 LEU A 20 5.711 -15.321 -5.688 1.00 53.35 H new ATOM 0 HD21 LEU A 20 5.001 -17.004 -3.210 1.00 33.52 H new ATOM 0 HD22 LEU A 20 4.056 -15.597 -3.751 1.00 33.52 H new ATOM 0 HD23 LEU A 20 3.258 -17.172 -3.529 1.00 33.52 H new ATOM 365 N PRO A 21 0.257 -15.855 -6.594 1.00 24.32 N ATOM 366 CA PRO A 21 -0.792 -15.190 -7.372 1.00 21.12 C ATOM 367 C PRO A 21 -0.223 -14.324 -8.491 1.00 32.41 C ATOM 368 O PRO A 21 0.969 -14.386 -8.793 1.00 73.12 O ATOM 369 CB PRO A 21 -1.506 -14.321 -6.334 1.00 12.02 C ATOM 370 CG PRO A 21 -0.483 -14.072 -5.280 1.00 12.11 C ATOM 371 CD PRO A 21 0.371 -15.309 -5.231 1.00 52.42 C ATOM 0 HA PRO A 21 -1.445 -15.906 -7.871 1.00 21.12 H new ATOM 0 HB2 PRO A 21 -1.857 -13.387 -6.773 1.00 12.02 H new ATOM 0 HB3 PRO A 21 -2.380 -14.829 -5.926 1.00 12.02 H new ATOM 0 HG2 PRO A 21 0.116 -13.193 -5.518 1.00 12.11 H new ATOM 0 HG3 PRO A 21 -0.954 -13.885 -4.315 1.00 12.11 H new ATOM 0 HD2 PRO A 21 1.405 -15.074 -4.977 1.00 52.42 H new ATOM 0 HD3 PRO A 21 0.012 -16.016 -4.483 1.00 52.42 H new ATOM 379 N LYS A 22 -1.083 -13.517 -9.103 1.00 62.10 N ATOM 380 CA LYS A 22 -0.666 -12.637 -10.188 1.00 55.41 C ATOM 381 C LYS A 22 -0.334 -11.244 -9.662 1.00 31.12 C ATOM 382 O LYS A 22 0.578 -10.583 -10.160 1.00 33.34 O ATOM 383 CB LYS A 22 -1.767 -12.544 -11.248 1.00 2.33 C ATOM 384 CG LYS A 22 -3.001 -11.792 -10.779 1.00 64.00 C ATOM 385 CD LYS A 22 -4.273 -12.405 -11.339 1.00 52.23 C ATOM 386 CE LYS A 22 -4.541 -13.777 -10.741 1.00 34.11 C ATOM 387 NZ LYS A 22 -5.251 -14.671 -11.698 1.00 43.40 N ATOM 0 H LYS A 22 -2.073 -13.454 -8.866 1.00 62.10 H new ATOM 0 HA LYS A 22 0.232 -13.059 -10.640 1.00 55.41 H new ATOM 0 HB2 LYS A 22 -1.366 -12.051 -12.134 1.00 2.33 H new ATOM 0 HB3 LYS A 22 -2.057 -13.551 -11.547 1.00 2.33 H new ATOM 0 HG2 LYS A 22 -3.041 -11.800 -9.690 1.00 64.00 H new ATOM 0 HG3 LYS A 22 -2.932 -10.749 -11.088 1.00 64.00 H new ATOM 0 HD2 LYS A 22 -5.117 -11.746 -11.133 1.00 52.23 H new ATOM 0 HD3 LYS A 22 -4.191 -12.489 -12.423 1.00 52.23 H new ATOM 0 HE2 LYS A 22 -3.597 -14.236 -10.448 1.00 34.11 H new ATOM 0 HE3 LYS A 22 -5.137 -13.668 -9.835 1.00 34.11 H new ATOM 0 HZ1 LYS A 22 -5.415 -15.596 -11.252 1.00 43.40 H new ATOM 0 HZ2 LYS A 22 -6.164 -14.246 -11.959 1.00 43.40 H new ATOM 0 HZ3 LYS A 22 -4.671 -14.796 -12.552 1.00 43.40 H new ATOM 401 N ASP A 23 -1.078 -10.805 -8.652 1.00 62.24 N ATOM 402 CA ASP A 23 -0.860 -9.492 -8.057 1.00 11.03 C ATOM 403 C ASP A 23 0.234 -9.551 -6.995 1.00 34.51 C ATOM 404 O ASP A 23 0.046 -9.091 -5.869 1.00 32.13 O ATOM 405 CB ASP A 23 -2.158 -8.966 -7.441 1.00 63.12 C ATOM 406 CG ASP A 23 -3.381 -9.355 -8.248 1.00 63.32 C ATOM 407 OD1 ASP A 23 -3.386 -9.112 -9.473 1.00 64.13 O ATOM 408 OD2 ASP A 23 -4.332 -9.904 -7.655 1.00 15.12 O ATOM 0 H ASP A 23 -1.837 -11.339 -8.229 1.00 62.24 H new ATOM 0 HA ASP A 23 -0.539 -8.812 -8.846 1.00 11.03 H new ATOM 0 HB2 ASP A 23 -2.258 -9.352 -6.427 1.00 63.12 H new ATOM 0 HB3 ASP A 23 -2.107 -7.880 -7.365 1.00 63.12 H new ATOM 413 N VAL A 24 1.377 -10.123 -7.361 1.00 53.33 N ATOM 414 CA VAL A 24 2.501 -10.243 -6.441 1.00 12.34 C ATOM 415 C VAL A 24 3.830 -10.182 -7.185 1.00 52.12 C ATOM 416 O VAL A 24 3.960 -10.712 -8.289 1.00 14.31 O ATOM 417 CB VAL A 24 2.433 -11.557 -5.640 1.00 50.03 C ATOM 418 CG1 VAL A 24 2.735 -12.746 -6.540 1.00 35.15 C ATOM 419 CG2 VAL A 24 3.393 -11.512 -4.461 1.00 63.54 C ATOM 0 H VAL A 24 1.548 -10.511 -8.289 1.00 53.33 H new ATOM 0 HA VAL A 24 2.436 -9.402 -5.751 1.00 12.34 H new ATOM 0 HB VAL A 24 1.422 -11.674 -5.251 1.00 50.03 H new ATOM 0 HG11 VAL A 24 2.683 -13.666 -5.958 1.00 35.15 H new ATOM 0 HG12 VAL A 24 2.004 -12.786 -7.348 1.00 35.15 H new ATOM 0 HG13 VAL A 24 3.735 -12.639 -6.960 1.00 35.15 H new ATOM 0 HG21 VAL A 24 3.332 -12.448 -3.906 1.00 63.54 H new ATOM 0 HG22 VAL A 24 4.411 -11.372 -4.826 1.00 63.54 H new ATOM 0 HG23 VAL A 24 3.125 -10.684 -3.805 1.00 63.54 H new ATOM 429 N ASP A 25 4.815 -9.533 -6.574 1.00 33.10 N ATOM 430 CA ASP A 25 6.136 -9.404 -7.178 1.00 12.10 C ATOM 431 C ASP A 25 7.060 -10.522 -6.707 1.00 4.03 C ATOM 432 O ASP A 25 6.771 -11.209 -5.727 1.00 12.32 O ATOM 433 CB ASP A 25 6.745 -8.043 -6.837 1.00 22.32 C ATOM 434 CG ASP A 25 7.762 -7.590 -7.866 1.00 24.15 C ATOM 435 OD1 ASP A 25 7.533 -7.826 -9.070 1.00 30.10 O ATOM 436 OD2 ASP A 25 8.788 -7.000 -7.466 1.00 65.32 O ATOM 0 H ASP A 25 4.724 -9.088 -5.661 1.00 33.10 H new ATOM 0 HA ASP A 25 6.024 -9.482 -8.259 1.00 12.10 H new ATOM 0 HB2 ASP A 25 5.950 -7.300 -6.764 1.00 22.32 H new ATOM 0 HB3 ASP A 25 7.222 -8.096 -5.858 1.00 22.32 H new ATOM 441 N ARG A 26 8.173 -10.699 -7.412 1.00 21.45 N ATOM 442 CA ARG A 26 9.139 -11.736 -7.067 1.00 11.53 C ATOM 443 C ARG A 26 10.477 -11.120 -6.667 1.00 71.31 C ATOM 444 O ARG A 26 11.252 -11.721 -5.922 1.00 70.43 O ATOM 445 CB ARG A 26 9.336 -12.691 -8.245 1.00 24.11 C ATOM 446 CG ARG A 26 8.043 -13.305 -8.754 1.00 73.33 C ATOM 447 CD ARG A 26 7.877 -14.737 -8.269 1.00 60.04 C ATOM 448 NE ARG A 26 8.430 -15.703 -9.215 1.00 53.34 N ATOM 449 CZ ARG A 26 8.703 -16.964 -8.902 1.00 72.54 C ATOM 450 NH1 ARG A 26 8.475 -17.411 -7.675 1.00 1.42 N ATOM 451 NH2 ARG A 26 9.204 -17.783 -9.818 1.00 44.15 N ATOM 0 H ARG A 26 8.428 -10.138 -8.225 1.00 21.45 H new ATOM 0 HA ARG A 26 8.747 -12.295 -6.217 1.00 11.53 H new ATOM 0 HB2 ARG A 26 9.819 -12.153 -9.061 1.00 24.11 H new ATOM 0 HB3 ARG A 26 10.014 -13.490 -7.945 1.00 24.11 H new ATOM 0 HG2 ARG A 26 7.197 -12.705 -8.418 1.00 73.33 H new ATOM 0 HG3 ARG A 26 8.034 -13.286 -9.844 1.00 73.33 H new ATOM 0 HD2 ARG A 26 8.370 -14.852 -7.304 1.00 60.04 H new ATOM 0 HD3 ARG A 26 6.819 -14.947 -8.114 1.00 60.04 H new ATOM 0 HE ARG A 26 8.617 -15.392 -10.168 1.00 53.34 H new ATOM 0 HH11 ARG A 26 8.089 -16.786 -6.968 1.00 1.42 H new ATOM 0 HH12 ARG A 26 8.686 -18.380 -7.438 1.00 1.42 H new ATOM 0 HH21 ARG A 26 9.380 -17.444 -10.764 1.00 44.15 H new ATOM 0 HH22 ARG A 26 9.413 -18.752 -9.576 1.00 44.15 H new ATOM 465 N THR A 27 10.743 -9.918 -7.168 1.00 14.32 N ATOM 466 CA THR A 27 11.987 -9.222 -6.865 1.00 53.41 C ATOM 467 C THR A 27 11.947 -8.605 -5.471 1.00 71.34 C ATOM 468 O THR A 27 12.926 -8.665 -4.728 1.00 22.23 O ATOM 469 CB THR A 27 12.276 -8.114 -7.896 1.00 31.02 C ATOM 470 OG1 THR A 27 11.510 -8.339 -9.085 1.00 24.32 O ATOM 471 CG2 THR A 27 13.757 -8.069 -8.241 1.00 32.22 C ATOM 0 H THR A 27 10.113 -9.406 -7.786 1.00 14.32 H new ATOM 0 HA THR A 27 12.783 -9.965 -6.908 1.00 53.41 H new ATOM 0 HB THR A 27 11.992 -7.157 -7.458 1.00 31.02 H new ATOM 0 HG1 THR A 27 11.698 -7.630 -9.734 1.00 24.32 H new ATOM 0 HG21 THR A 27 13.937 -7.279 -8.970 1.00 32.22 H new ATOM 0 HG22 THR A 27 14.335 -7.868 -7.339 1.00 32.22 H new ATOM 0 HG23 THR A 27 14.062 -9.027 -8.661 1.00 32.22 H new ATOM 479 N ARG A 28 10.809 -8.014 -5.123 1.00 52.24 N ATOM 480 CA ARG A 28 10.642 -7.386 -3.818 1.00 41.12 C ATOM 481 C ARG A 28 9.423 -7.950 -3.095 1.00 74.12 C ATOM 482 O ARG A 28 8.442 -7.241 -2.863 1.00 22.42 O ATOM 483 CB ARG A 28 10.501 -5.870 -3.972 1.00 23.41 C ATOM 484 CG ARG A 28 11.828 -5.129 -3.937 1.00 14.22 C ATOM 485 CD ARG A 28 12.669 -5.434 -5.166 1.00 25.53 C ATOM 486 NE ARG A 28 13.711 -4.433 -5.379 1.00 14.21 N ATOM 487 CZ ARG A 28 14.309 -4.232 -6.548 1.00 20.12 C ATOM 488 NH1 ARG A 28 13.971 -4.960 -7.603 1.00 52.11 N ATOM 489 NH2 ARG A 28 15.248 -3.301 -6.663 1.00 34.22 N ATOM 0 H ARG A 28 9.989 -7.957 -5.727 1.00 52.24 H new ATOM 0 HA ARG A 28 11.529 -7.603 -3.222 1.00 41.12 H new ATOM 0 HB2 ARG A 28 9.999 -5.654 -4.915 1.00 23.41 H new ATOM 0 HB3 ARG A 28 9.861 -5.490 -3.176 1.00 23.41 H new ATOM 0 HG2 ARG A 28 11.645 -4.056 -3.877 1.00 14.22 H new ATOM 0 HG3 ARG A 28 12.379 -5.409 -3.039 1.00 14.22 H new ATOM 0 HD2 ARG A 28 13.128 -6.417 -5.057 1.00 25.53 H new ATOM 0 HD3 ARG A 28 12.025 -5.479 -6.044 1.00 25.53 H new ATOM 0 HE ARG A 28 13.995 -3.857 -4.587 1.00 14.21 H new ATOM 0 HH11 ARG A 28 13.250 -5.677 -7.518 1.00 52.11 H new ATOM 0 HH12 ARG A 28 14.432 -4.804 -8.499 1.00 52.11 H new ATOM 0 HH21 ARG A 28 15.511 -2.739 -5.853 1.00 34.22 H new ATOM 0 HH22 ARG A 28 15.707 -3.147 -7.561 1.00 34.22 H new ATOM 503 N LEU A 29 9.490 -9.229 -2.742 1.00 72.05 N ATOM 504 CA LEU A 29 8.391 -9.889 -2.046 1.00 61.40 C ATOM 505 C LEU A 29 8.369 -9.500 -0.571 1.00 71.24 C ATOM 506 O LEU A 29 7.393 -9.757 0.133 1.00 41.31 O ATOM 507 CB LEU A 29 8.514 -11.408 -2.183 1.00 20.03 C ATOM 508 CG LEU A 29 7.257 -12.215 -1.858 1.00 34.13 C ATOM 509 CD1 LEU A 29 6.140 -11.879 -2.833 1.00 55.13 C ATOM 510 CD2 LEU A 29 7.559 -13.706 -1.883 1.00 74.43 C ATOM 0 H LEU A 29 10.294 -9.830 -2.926 1.00 72.05 H new ATOM 0 HA LEU A 29 7.456 -9.564 -2.503 1.00 61.40 H new ATOM 0 HB2 LEU A 29 8.815 -11.637 -3.205 1.00 20.03 H new ATOM 0 HB3 LEU A 29 9.318 -11.748 -1.531 1.00 20.03 H new ATOM 0 HG LEU A 29 6.927 -11.948 -0.854 1.00 34.13 H new ATOM 0 HD11 LEU A 29 5.253 -12.463 -2.586 1.00 55.13 H new ATOM 0 HD12 LEU A 29 5.905 -10.817 -2.765 1.00 55.13 H new ATOM 0 HD13 LEU A 29 6.459 -12.116 -3.848 1.00 55.13 H new ATOM 0 HD21 LEU A 29 6.653 -14.265 -1.649 1.00 74.43 H new ATOM 0 HD22 LEU A 29 7.914 -13.989 -2.874 1.00 74.43 H new ATOM 0 HD23 LEU A 29 8.327 -13.934 -1.144 1.00 74.43 H new ATOM 522 N GLU A 30 9.450 -8.878 -0.112 1.00 43.04 N ATOM 523 CA GLU A 30 9.553 -8.452 1.278 1.00 23.35 C ATOM 524 C GLU A 30 8.422 -7.494 1.639 1.00 32.24 C ATOM 525 O GLU A 30 7.851 -7.572 2.728 1.00 64.34 O ATOM 526 CB GLU A 30 10.905 -7.781 1.531 1.00 51.12 C ATOM 527 CG GLU A 30 11.023 -6.399 0.911 1.00 41.32 C ATOM 528 CD GLU A 30 12.464 -5.966 0.721 1.00 51.14 C ATOM 529 OE1 GLU A 30 13.329 -6.426 1.494 1.00 2.34 O ATOM 530 OE2 GLU A 30 12.726 -5.167 -0.203 1.00 54.10 O ATOM 0 H GLU A 30 10.266 -8.658 -0.682 1.00 43.04 H new ATOM 0 HA GLU A 30 9.471 -9.337 1.909 1.00 23.35 H new ATOM 0 HB2 GLU A 30 11.067 -7.703 2.606 1.00 51.12 H new ATOM 0 HB3 GLU A 30 11.697 -8.417 1.135 1.00 51.12 H new ATOM 0 HG2 GLU A 30 10.516 -6.393 -0.054 1.00 41.32 H new ATOM 0 HG3 GLU A 30 10.511 -5.675 1.545 1.00 41.32 H new ATOM 537 N ARG A 31 8.103 -6.590 0.718 1.00 23.45 N ATOM 538 CA ARG A 31 7.042 -5.616 0.940 1.00 52.25 C ATOM 539 C ARG A 31 5.676 -6.296 0.967 1.00 22.01 C ATOM 540 O ARG A 31 4.684 -5.704 1.394 1.00 44.12 O ATOM 541 CB ARG A 31 7.068 -4.545 -0.153 1.00 0.13 C ATOM 542 CG ARG A 31 8.052 -3.419 0.121 1.00 22.54 C ATOM 543 CD ARG A 31 8.512 -2.755 -1.167 1.00 71.41 C ATOM 544 NE ARG A 31 9.275 -1.536 -0.913 1.00 32.44 N ATOM 545 CZ ARG A 31 9.592 -0.657 -1.857 1.00 30.34 C ATOM 546 NH1 ARG A 31 9.214 -0.861 -3.111 1.00 35.01 N ATOM 547 NH2 ARG A 31 10.289 0.429 -1.547 1.00 33.43 N ATOM 0 H ARG A 31 8.564 -6.512 -0.188 1.00 23.45 H new ATOM 0 HA ARG A 31 7.213 -5.144 1.907 1.00 52.25 H new ATOM 0 HB2 ARG A 31 7.321 -5.014 -1.104 1.00 0.13 H new ATOM 0 HB3 ARG A 31 6.068 -4.124 -0.262 1.00 0.13 H new ATOM 0 HG2 ARG A 31 7.585 -2.676 0.768 1.00 22.54 H new ATOM 0 HG3 ARG A 31 8.916 -3.812 0.658 1.00 22.54 H new ATOM 0 HD2 ARG A 31 9.125 -3.454 -1.736 1.00 71.41 H new ATOM 0 HD3 ARG A 31 7.644 -2.518 -1.782 1.00 71.41 H new ATOM 0 HE ARG A 31 9.581 -1.349 0.042 1.00 32.44 H new ATOM 0 HH11 ARG A 31 8.678 -1.695 -3.353 1.00 35.01 H new ATOM 0 HH12 ARG A 31 9.459 -0.184 -3.834 1.00 35.01 H new ATOM 0 HH21 ARG A 31 10.582 0.589 -0.583 1.00 33.43 H new ATOM 0 HH22 ARG A 31 10.532 1.103 -2.273 1.00 33.43 H new ATOM 561 N HIS A 32 5.633 -7.543 0.509 1.00 74.03 N ATOM 562 CA HIS A 32 4.389 -8.304 0.481 1.00 74.21 C ATOM 563 C HIS A 32 4.219 -9.115 1.762 1.00 21.11 C ATOM 564 O HIS A 32 3.182 -9.743 1.979 1.00 14.44 O ATOM 565 CB HIS A 32 4.362 -9.234 -0.732 1.00 62.34 C ATOM 566 CG HIS A 32 3.862 -8.576 -1.981 1.00 55.10 C ATOM 567 ND1 HIS A 32 2.521 -8.401 -2.254 1.00 63.12 N ATOM 568 CD2 HIS A 32 4.530 -8.047 -3.032 1.00 43.22 C ATOM 569 CE1 HIS A 32 2.387 -7.795 -3.420 1.00 43.31 C ATOM 570 NE2 HIS A 32 3.592 -7.568 -3.913 1.00 34.12 N ATOM 0 H HIS A 32 6.445 -8.048 0.152 1.00 74.03 H new ATOM 0 HA HIS A 32 3.562 -7.598 0.406 1.00 74.21 H new ATOM 0 HB2 HIS A 32 5.368 -9.615 -0.910 1.00 62.34 H new ATOM 0 HB3 HIS A 32 3.731 -10.093 -0.506 1.00 62.34 H new ATOM 0 HD1 HIS A 32 1.753 -8.694 -1.650 1.00 63.12 H new ATOM 0 HD2 HIS A 32 5.602 -8.009 -3.155 1.00 43.22 H new ATOM 0 HE1 HIS A 32 1.452 -7.530 -3.891 1.00 43.31 H new ATOM 578 N LEU A 33 5.244 -9.099 2.607 1.00 42.42 N ATOM 579 CA LEU A 33 5.209 -9.833 3.867 1.00 43.02 C ATOM 580 C LEU A 33 5.204 -8.876 5.055 1.00 72.32 C ATOM 581 O LEU A 33 6.041 -7.979 5.145 1.00 1.45 O ATOM 582 CB LEU A 33 6.409 -10.777 3.963 1.00 2.11 C ATOM 583 CG LEU A 33 6.154 -12.119 4.650 1.00 10.10 C ATOM 584 CD1 LEU A 33 5.461 -13.082 3.699 1.00 72.10 C ATOM 585 CD2 LEU A 33 7.459 -12.715 5.158 1.00 11.40 C ATOM 0 H LEU A 33 6.110 -8.586 2.442 1.00 42.42 H new ATOM 0 HA LEU A 33 4.290 -10.419 3.892 1.00 43.02 H new ATOM 0 HB2 LEU A 33 6.774 -10.971 2.955 1.00 2.11 H new ATOM 0 HB3 LEU A 33 7.208 -10.264 4.498 1.00 2.11 H new ATOM 0 HG LEU A 33 5.499 -11.949 5.504 1.00 10.10 H new ATOM 0 HD11 LEU A 33 5.288 -14.032 4.205 1.00 72.10 H new ATOM 0 HD12 LEU A 33 4.507 -12.659 3.384 1.00 72.10 H new ATOM 0 HD13 LEU A 33 6.091 -13.247 2.825 1.00 72.10 H new ATOM 0 HD21 LEU A 33 7.258 -13.670 5.644 1.00 11.40 H new ATOM 0 HD22 LEU A 33 8.139 -12.870 4.320 1.00 11.40 H new ATOM 0 HD23 LEU A 33 7.916 -12.032 5.874 1.00 11.40 H new ATOM 597 N SER A 34 4.256 -9.076 5.965 1.00 74.24 N ATOM 598 CA SER A 34 4.140 -8.230 7.147 1.00 61.32 C ATOM 599 C SER A 34 5.485 -8.099 7.855 1.00 63.34 C ATOM 600 O SER A 34 6.410 -8.882 7.635 1.00 10.11 O ATOM 601 CB SER A 34 3.098 -8.803 8.110 1.00 50.34 C ATOM 602 OG SER A 34 3.716 -9.533 9.155 1.00 42.10 O ATOM 0 H SER A 34 3.557 -9.817 5.906 1.00 74.24 H new ATOM 0 HA SER A 34 3.820 -7.239 6.824 1.00 61.32 H new ATOM 0 HB2 SER A 34 2.503 -7.993 8.531 1.00 50.34 H new ATOM 0 HB3 SER A 34 2.413 -9.452 7.565 1.00 50.34 H new ATOM 0 HG SER A 34 3.029 -9.887 9.757 1.00 42.10 H new ATOM 608 N PRO A 35 5.598 -7.085 8.725 1.00 24.33 N ATOM 609 CA PRO A 35 6.826 -6.827 9.484 1.00 13.31 C ATOM 610 C PRO A 35 7.089 -7.893 10.542 1.00 71.34 C ATOM 611 O PRO A 35 8.217 -8.358 10.700 1.00 44.43 O ATOM 612 CB PRO A 35 6.555 -5.473 10.146 1.00 61.13 C ATOM 613 CG PRO A 35 5.071 -5.388 10.240 1.00 12.42 C ATOM 614 CD PRO A 35 4.537 -6.113 9.036 1.00 33.55 C ATOM 0 HA PRO A 35 7.709 -6.837 8.845 1.00 13.31 H new ATOM 0 HB2 PRO A 35 7.018 -5.414 11.131 1.00 61.13 H new ATOM 0 HB3 PRO A 35 6.962 -4.654 9.553 1.00 61.13 H new ATOM 0 HG2 PRO A 35 4.712 -5.845 11.162 1.00 12.42 H new ATOM 0 HG3 PRO A 35 4.739 -4.350 10.249 1.00 12.42 H new ATOM 0 HD2 PRO A 35 3.590 -6.607 9.252 1.00 33.55 H new ATOM 0 HD3 PRO A 35 4.359 -5.432 8.203 1.00 33.55 H new ATOM 622 N GLU A 36 6.040 -8.277 11.262 1.00 30.25 N ATOM 623 CA GLU A 36 6.160 -9.289 12.305 1.00 32.42 C ATOM 624 C GLU A 36 6.541 -10.642 11.710 1.00 45.53 C ATOM 625 O GLU A 36 7.278 -11.415 12.322 1.00 53.44 O ATOM 626 CB GLU A 36 4.846 -9.414 13.080 1.00 40.52 C ATOM 627 CG GLU A 36 4.697 -8.390 14.193 1.00 73.20 C ATOM 628 CD GLU A 36 3.506 -8.672 15.088 1.00 11.25 C ATOM 629 OE1 GLU A 36 2.360 -8.513 14.620 1.00 55.42 O ATOM 630 OE2 GLU A 36 3.721 -9.052 16.259 1.00 41.05 O ATOM 0 H GLU A 36 5.099 -7.903 11.143 1.00 30.25 H new ATOM 0 HA GLU A 36 6.949 -8.976 12.989 1.00 32.42 H new ATOM 0 HB2 GLU A 36 4.013 -9.307 12.386 1.00 40.52 H new ATOM 0 HB3 GLU A 36 4.779 -10.415 13.507 1.00 40.52 H new ATOM 0 HG2 GLU A 36 5.605 -8.379 14.796 1.00 73.20 H new ATOM 0 HG3 GLU A 36 4.592 -7.397 13.756 1.00 73.20 H new ATOM 637 N GLU A 37 6.034 -10.919 10.513 1.00 43.24 N ATOM 638 CA GLU A 37 6.321 -12.178 9.835 1.00 10.12 C ATOM 639 C GLU A 37 7.752 -12.197 9.306 1.00 61.31 C ATOM 640 O GLU A 37 8.441 -13.215 9.383 1.00 33.02 O ATOM 641 CB GLU A 37 5.337 -12.399 8.685 1.00 71.24 C ATOM 642 CG GLU A 37 4.286 -13.456 8.978 1.00 74.34 C ATOM 643 CD GLU A 37 3.228 -12.973 9.951 1.00 73.14 C ATOM 644 OE1 GLU A 37 3.541 -12.851 11.154 1.00 54.45 O ATOM 645 OE2 GLU A 37 2.088 -12.718 9.510 1.00 53.31 O ATOM 0 H GLU A 37 5.423 -10.289 9.993 1.00 43.24 H new ATOM 0 HA GLU A 37 6.209 -12.985 10.559 1.00 10.12 H new ATOM 0 HB2 GLU A 37 4.839 -11.456 8.458 1.00 71.24 H new ATOM 0 HB3 GLU A 37 5.893 -12.689 7.793 1.00 71.24 H new ATOM 0 HG2 GLU A 37 3.807 -13.755 8.046 1.00 74.34 H new ATOM 0 HG3 GLU A 37 4.772 -14.343 9.386 1.00 74.34 H new ATOM 652 N PHE A 38 8.193 -11.065 8.767 1.00 31.23 N ATOM 653 CA PHE A 38 9.541 -10.952 8.223 1.00 1.43 C ATOM 654 C PHE A 38 10.587 -11.170 9.312 1.00 3.34 C ATOM 655 O PHE A 38 11.578 -11.869 9.104 1.00 42.14 O ATOM 656 CB PHE A 38 9.739 -9.579 7.578 1.00 43.44 C ATOM 657 CG PHE A 38 10.516 -9.627 6.293 1.00 3.21 C ATOM 658 CD1 PHE A 38 9.973 -10.213 5.161 1.00 22.32 C ATOM 659 CD2 PHE A 38 11.789 -9.085 6.217 1.00 23.22 C ATOM 660 CE1 PHE A 38 10.686 -10.260 3.978 1.00 5.43 C ATOM 661 CE2 PHE A 38 12.507 -9.128 5.037 1.00 61.22 C ATOM 662 CZ PHE A 38 11.954 -9.715 3.916 1.00 64.34 C ATOM 0 H PHE A 38 7.636 -10.213 8.695 1.00 31.23 H new ATOM 0 HA PHE A 38 9.666 -11.724 7.464 1.00 1.43 H new ATOM 0 HB2 PHE A 38 8.763 -9.132 7.387 1.00 43.44 H new ATOM 0 HB3 PHE A 38 10.256 -8.927 8.282 1.00 43.44 H new ATOM 0 HD1 PHE A 38 8.981 -10.638 5.204 1.00 22.32 H new ATOM 0 HD2 PHE A 38 12.225 -8.623 7.090 1.00 23.22 H new ATOM 0 HE1 PHE A 38 10.253 -10.722 3.103 1.00 5.43 H new ATOM 0 HE2 PHE A 38 13.499 -8.703 4.992 1.00 61.22 H new ATOM 0 HZ PHE A 38 12.512 -9.748 2.992 1.00 64.34 H new ATOM 672 N GLN A 39 10.358 -10.565 10.474 1.00 64.41 N ATOM 673 CA GLN A 39 11.282 -10.692 11.595 1.00 35.44 C ATOM 674 C GLN A 39 11.115 -12.041 12.287 1.00 24.51 C ATOM 675 O GLN A 39 12.032 -12.526 12.950 1.00 13.13 O ATOM 676 CB GLN A 39 11.057 -9.560 12.599 1.00 34.21 C ATOM 677 CG GLN A 39 9.682 -9.586 13.247 1.00 12.13 C ATOM 678 CD GLN A 39 9.607 -10.544 14.420 1.00 43.21 C ATOM 679 OE1 GLN A 39 10.629 -10.919 14.996 1.00 70.13 O ATOM 680 NE2 GLN A 39 8.394 -10.945 14.781 1.00 70.14 N ATOM 0 H GLN A 39 9.542 -9.983 10.663 1.00 64.41 H new ATOM 0 HA GLN A 39 12.298 -10.627 11.206 1.00 35.44 H new ATOM 0 HB2 GLN A 39 11.818 -9.620 13.378 1.00 34.21 H new ATOM 0 HB3 GLN A 39 11.193 -8.604 12.093 1.00 34.21 H new ATOM 0 HG2 GLN A 39 9.425 -8.582 13.586 1.00 12.13 H new ATOM 0 HG3 GLN A 39 8.939 -9.871 12.502 1.00 12.13 H new ATOM 0 HE21 GLN A 39 7.574 -10.609 14.275 1.00 70.14 H new ATOM 0 HE22 GLN A 39 8.282 -11.589 15.564 1.00 70.14 H new ATOM 689 N GLU A 40 9.940 -12.642 12.128 1.00 62.14 N ATOM 690 CA GLU A 40 9.655 -13.935 12.739 1.00 72.05 C ATOM 691 C GLU A 40 10.175 -15.075 11.867 1.00 33.05 C ATOM 692 O GLU A 40 10.579 -16.123 12.372 1.00 11.54 O ATOM 693 CB GLU A 40 8.150 -14.096 12.964 1.00 20.41 C ATOM 694 CG GLU A 40 7.769 -15.422 13.601 1.00 32.12 C ATOM 695 CD GLU A 40 8.137 -15.490 15.071 1.00 73.43 C ATOM 696 OE1 GLU A 40 8.240 -14.421 15.707 1.00 33.24 O ATOM 697 OE2 GLU A 40 8.321 -16.614 15.584 1.00 63.02 O ATOM 0 H GLU A 40 9.171 -12.255 11.582 1.00 62.14 H new ATOM 0 HA GLU A 40 10.166 -13.975 13.701 1.00 72.05 H new ATOM 0 HB2 GLU A 40 7.797 -13.283 13.598 1.00 20.41 H new ATOM 0 HB3 GLU A 40 7.636 -14.001 12.008 1.00 20.41 H new ATOM 0 HG2 GLU A 40 6.696 -15.579 13.491 1.00 32.12 H new ATOM 0 HG3 GLU A 40 8.266 -16.233 13.068 1.00 32.12 H new ATOM 704 N VAL A 41 10.161 -14.863 10.555 1.00 34.13 N ATOM 705 CA VAL A 41 10.631 -15.871 9.613 1.00 73.51 C ATOM 706 C VAL A 41 12.138 -15.772 9.408 1.00 41.43 C ATOM 707 O VAL A 41 12.788 -16.742 9.018 1.00 40.23 O ATOM 708 CB VAL A 41 9.928 -15.736 8.249 1.00 31.11 C ATOM 709 CG1 VAL A 41 8.424 -15.903 8.404 1.00 20.42 C ATOM 710 CG2 VAL A 41 10.260 -14.397 7.609 1.00 5.45 C ATOM 0 H VAL A 41 9.829 -14.002 10.120 1.00 34.13 H new ATOM 0 HA VAL A 41 10.389 -16.843 10.043 1.00 73.51 H new ATOM 0 HB VAL A 41 10.292 -16.527 7.593 1.00 31.11 H new ATOM 0 HG11 VAL A 41 7.945 -15.804 7.430 1.00 20.42 H new ATOM 0 HG12 VAL A 41 8.208 -16.888 8.817 1.00 20.42 H new ATOM 0 HG13 VAL A 41 8.040 -15.136 9.077 1.00 20.42 H new ATOM 0 HG21 VAL A 41 9.755 -14.319 6.646 1.00 5.45 H new ATOM 0 HG22 VAL A 41 9.926 -13.590 8.261 1.00 5.45 H new ATOM 0 HG23 VAL A 41 11.337 -14.322 7.461 1.00 5.45 H new ATOM 720 N PHE A 42 12.689 -14.592 9.674 1.00 51.25 N ATOM 721 CA PHE A 42 14.121 -14.364 9.518 1.00 71.23 C ATOM 722 C PHE A 42 14.866 -14.686 10.810 1.00 44.34 C ATOM 723 O PHE A 42 15.898 -15.356 10.794 1.00 74.53 O ATOM 724 CB PHE A 42 14.387 -12.914 9.110 1.00 53.34 C ATOM 725 CG PHE A 42 14.227 -12.666 7.637 1.00 70.53 C ATOM 726 CD1 PHE A 42 13.284 -13.366 6.902 1.00 71.34 C ATOM 727 CD2 PHE A 42 15.020 -11.735 6.987 1.00 4.52 C ATOM 728 CE1 PHE A 42 13.134 -13.141 5.546 1.00 10.01 C ATOM 729 CE2 PHE A 42 14.875 -11.505 5.632 1.00 12.32 C ATOM 730 CZ PHE A 42 13.931 -12.210 4.910 1.00 4.45 C ATOM 0 H PHE A 42 12.166 -13.779 9.999 1.00 51.25 H new ATOM 0 HA PHE A 42 14.486 -15.027 8.734 1.00 71.23 H new ATOM 0 HB2 PHE A 42 13.707 -12.261 9.656 1.00 53.34 H new ATOM 0 HB3 PHE A 42 15.399 -12.641 9.408 1.00 53.34 H new ATOM 0 HD1 PHE A 42 12.659 -14.096 7.394 1.00 71.34 H new ATOM 0 HD2 PHE A 42 15.761 -11.182 7.546 1.00 4.52 H new ATOM 0 HE1 PHE A 42 12.394 -13.693 4.985 1.00 10.01 H new ATOM 0 HE2 PHE A 42 15.499 -10.775 5.138 1.00 12.32 H new ATOM 0 HZ PHE A 42 13.817 -12.033 3.851 1.00 4.45 H new ATOM 740 N GLY A 43 14.336 -14.201 11.928 1.00 3.44 N ATOM 741 CA GLY A 43 14.964 -14.446 13.214 1.00 40.53 C ATOM 742 C GLY A 43 15.321 -13.163 13.938 1.00 10.14 C ATOM 743 O GLY A 43 15.145 -13.058 15.152 1.00 62.51 O ATOM 0 H GLY A 43 13.483 -13.643 11.967 1.00 3.44 H new ATOM 0 HA2 GLY A 43 14.292 -15.036 13.837 1.00 40.53 H new ATOM 0 HA3 GLY A 43 15.866 -15.040 13.067 1.00 40.53 H new ATOM 747 N MET A 44 15.825 -12.185 13.193 1.00 3.22 N ATOM 748 CA MET A 44 16.208 -10.903 13.773 1.00 5.21 C ATOM 749 C MET A 44 14.989 -10.008 13.968 1.00 53.35 C ATOM 750 O MET A 44 13.851 -10.447 13.799 1.00 23.53 O ATOM 751 CB MET A 44 17.233 -10.201 12.880 1.00 5.13 C ATOM 752 CG MET A 44 16.840 -10.169 11.412 1.00 12.44 C ATOM 753 SD MET A 44 17.680 -11.433 10.440 1.00 70.40 S ATOM 754 CE MET A 44 18.509 -10.423 9.215 1.00 23.31 C ATOM 0 H MET A 44 15.978 -12.256 12.187 1.00 3.22 H new ATOM 0 HA MET A 44 16.656 -11.093 14.748 1.00 5.21 H new ATOM 0 HB2 MET A 44 17.371 -9.179 13.233 1.00 5.13 H new ATOM 0 HB3 MET A 44 18.195 -10.705 12.979 1.00 5.13 H new ATOM 0 HG2 MET A 44 15.762 -10.306 11.325 1.00 12.44 H new ATOM 0 HG3 MET A 44 17.070 -9.187 11.000 1.00 12.44 H new ATOM 0 HE1 MET A 44 19.487 -10.849 8.993 1.00 23.31 H new ATOM 0 HE2 MET A 44 17.912 -10.393 8.304 1.00 23.31 H new ATOM 0 HE3 MET A 44 18.633 -9.411 9.601 1.00 23.31 H new ATOM 764 N SER A 45 15.233 -8.750 14.323 1.00 62.51 N ATOM 765 CA SER A 45 14.154 -7.795 14.544 1.00 2.02 C ATOM 766 C SER A 45 13.849 -7.015 13.269 1.00 70.32 C ATOM 767 O SER A 45 14.733 -6.783 12.444 1.00 61.33 O ATOM 768 CB SER A 45 14.524 -6.828 15.670 1.00 11.25 C ATOM 769 OG SER A 45 14.786 -5.531 15.163 1.00 2.24 O ATOM 0 H SER A 45 16.169 -8.369 14.464 1.00 62.51 H new ATOM 0 HA SER A 45 13.262 -8.352 14.831 1.00 2.02 H new ATOM 0 HB2 SER A 45 13.711 -6.781 16.395 1.00 11.25 H new ATOM 0 HB3 SER A 45 15.402 -7.199 16.199 1.00 11.25 H new ATOM 0 HG SER A 45 15.019 -4.932 15.903 1.00 2.24 H new ATOM 775 N ILE A 46 12.592 -6.614 13.115 1.00 73.01 N ATOM 776 CA ILE A 46 12.169 -5.860 11.941 1.00 3.23 C ATOM 777 C ILE A 46 13.027 -4.613 11.751 1.00 15.03 C ATOM 778 O ILE A 46 13.251 -4.168 10.626 1.00 30.22 O ATOM 779 CB ILE A 46 10.691 -5.442 12.043 1.00 55.30 C ATOM 780 CG1 ILE A 46 10.119 -5.166 10.651 1.00 71.13 C ATOM 781 CG2 ILE A 46 10.547 -4.216 12.933 1.00 74.12 C ATOM 782 CD1 ILE A 46 10.281 -3.730 10.204 1.00 11.15 C ATOM 0 H ILE A 46 11.848 -6.798 13.788 1.00 73.01 H new ATOM 0 HA ILE A 46 12.293 -6.518 11.081 1.00 3.23 H new ATOM 0 HB ILE A 46 10.128 -6.261 12.491 1.00 55.30 H new ATOM 0 HG12 ILE A 46 10.609 -5.820 9.930 1.00 71.13 H new ATOM 0 HG13 ILE A 46 9.060 -5.422 10.645 1.00 71.13 H new ATOM 0 HG21 ILE A 46 9.496 -3.933 12.995 1.00 74.12 H new ATOM 0 HG22 ILE A 46 10.921 -4.445 13.931 1.00 74.12 H new ATOM 0 HG23 ILE A 46 11.121 -3.391 12.511 1.00 74.12 H new ATOM 0 HD11 ILE A 46 9.853 -3.608 9.209 1.00 11.15 H new ATOM 0 HD12 ILE A 46 9.767 -3.071 10.904 1.00 11.15 H new ATOM 0 HD13 ILE A 46 11.340 -3.475 10.177 1.00 11.15 H new ATOM 794 N GLU A 47 13.504 -4.055 12.860 1.00 71.14 N ATOM 795 CA GLU A 47 14.338 -2.860 12.814 1.00 12.22 C ATOM 796 C GLU A 47 15.651 -3.140 12.089 1.00 0.31 C ATOM 797 O GLU A 47 16.152 -2.298 11.344 1.00 12.14 O ATOM 798 CB GLU A 47 14.622 -2.355 14.230 1.00 30.14 C ATOM 799 CG GLU A 47 13.395 -2.332 15.126 1.00 32.21 C ATOM 800 CD GLU A 47 13.592 -1.480 16.365 1.00 44.03 C ATOM 801 OE1 GLU A 47 13.860 -0.269 16.214 1.00 22.34 O ATOM 802 OE2 GLU A 47 13.480 -2.023 17.483 1.00 14.14 O ATOM 0 H GLU A 47 13.327 -4.411 13.799 1.00 71.14 H new ATOM 0 HA GLU A 47 13.796 -2.091 12.263 1.00 12.22 H new ATOM 0 HB2 GLU A 47 15.383 -2.988 14.687 1.00 30.14 H new ATOM 0 HB3 GLU A 47 15.037 -1.349 14.171 1.00 30.14 H new ATOM 0 HG2 GLU A 47 12.544 -1.952 14.560 1.00 32.21 H new ATOM 0 HG3 GLU A 47 13.150 -3.351 15.426 1.00 32.21 H new ATOM 809 N GLU A 48 16.203 -4.328 12.314 1.00 73.21 N ATOM 810 CA GLU A 48 17.458 -4.718 11.683 1.00 22.42 C ATOM 811 C GLU A 48 17.354 -4.630 10.163 1.00 1.13 C ATOM 812 O GLU A 48 18.270 -4.150 9.494 1.00 35.41 O ATOM 813 CB GLU A 48 17.842 -6.141 12.097 1.00 1.41 C ATOM 814 CG GLU A 48 19.327 -6.434 11.961 1.00 73.21 C ATOM 815 CD GLU A 48 19.762 -7.633 12.781 1.00 73.54 C ATOM 816 OE1 GLU A 48 19.222 -7.820 13.891 1.00 14.53 O ATOM 817 OE2 GLU A 48 20.642 -8.385 12.312 1.00 33.33 O ATOM 0 H GLU A 48 15.801 -5.036 12.928 1.00 73.21 H new ATOM 0 HA GLU A 48 18.233 -4.028 12.017 1.00 22.42 H new ATOM 0 HB2 GLU A 48 17.541 -6.303 13.132 1.00 1.41 H new ATOM 0 HB3 GLU A 48 17.283 -6.851 11.488 1.00 1.41 H new ATOM 0 HG2 GLU A 48 19.564 -6.611 10.912 1.00 73.21 H new ATOM 0 HG3 GLU A 48 19.896 -5.559 12.274 1.00 73.21 H new ATOM 824 N PHE A 49 16.232 -5.096 9.625 1.00 63.42 N ATOM 825 CA PHE A 49 16.008 -5.072 8.184 1.00 1.11 C ATOM 826 C PHE A 49 16.105 -3.649 7.643 1.00 42.33 C ATOM 827 O PHE A 49 16.884 -3.372 6.730 1.00 2.25 O ATOM 828 CB PHE A 49 14.638 -5.664 7.850 1.00 74.52 C ATOM 829 CG PHE A 49 14.405 -7.018 8.458 1.00 62.12 C ATOM 830 CD1 PHE A 49 15.412 -7.970 8.467 1.00 73.34 C ATOM 831 CD2 PHE A 49 13.180 -7.338 9.020 1.00 20.51 C ATOM 832 CE1 PHE A 49 15.201 -9.217 9.026 1.00 43.23 C ATOM 833 CE2 PHE A 49 12.964 -8.583 9.581 1.00 70.01 C ATOM 834 CZ PHE A 49 13.975 -9.524 9.583 1.00 44.24 C ATOM 0 H PHE A 49 15.464 -5.495 10.165 1.00 63.42 H new ATOM 0 HA PHE A 49 16.782 -5.676 7.711 1.00 1.11 H new ATOM 0 HB2 PHE A 49 13.862 -4.981 8.196 1.00 74.52 H new ATOM 0 HB3 PHE A 49 14.538 -5.739 6.767 1.00 74.52 H new ATOM 0 HD1 PHE A 49 16.372 -7.735 8.032 1.00 73.34 H new ATOM 0 HD2 PHE A 49 12.385 -6.607 9.020 1.00 20.51 H new ATOM 0 HE1 PHE A 49 15.994 -9.950 9.027 1.00 43.23 H new ATOM 0 HE2 PHE A 49 12.005 -8.820 10.018 1.00 70.01 H new ATOM 0 HZ PHE A 49 13.807 -10.498 10.019 1.00 44.24 H new ATOM 844 N ASP A 50 15.308 -2.750 8.211 1.00 63.51 N ATOM 845 CA ASP A 50 15.304 -1.355 7.787 1.00 73.33 C ATOM 846 C ASP A 50 16.703 -0.755 7.876 1.00 24.45 C ATOM 847 O ASP A 50 17.097 0.055 7.037 1.00 22.24 O ATOM 848 CB ASP A 50 14.331 -0.543 8.643 1.00 2.20 C ATOM 849 CG ASP A 50 14.204 0.892 8.171 1.00 2.41 C ATOM 850 OD1 ASP A 50 15.014 1.736 8.610 1.00 64.40 O ATOM 851 OD2 ASP A 50 13.295 1.172 7.362 1.00 1.23 O ATOM 0 H ASP A 50 14.656 -2.963 8.966 1.00 63.51 H new ATOM 0 HA ASP A 50 14.979 -1.318 6.747 1.00 73.33 H new ATOM 0 HB2 ASP A 50 13.350 -1.018 8.622 1.00 2.20 H new ATOM 0 HB3 ASP A 50 14.668 -0.553 9.680 1.00 2.20 H new ATOM 856 N ARG A 51 17.450 -1.158 8.900 1.00 54.01 N ATOM 857 CA ARG A 51 18.805 -0.658 9.101 1.00 75.44 C ATOM 858 C ARG A 51 19.775 -1.308 8.118 1.00 33.23 C ATOM 859 O ARG A 51 20.817 -0.740 7.791 1.00 42.32 O ATOM 860 CB ARG A 51 19.261 -0.924 10.536 1.00 24.12 C ATOM 861 CG ARG A 51 18.968 0.222 11.491 1.00 70.13 C ATOM 862 CD ARG A 51 17.684 -0.017 12.270 1.00 42.00 C ATOM 863 NE ARG A 51 17.559 0.888 13.409 1.00 11.31 N ATOM 864 CZ ARG A 51 17.317 2.189 13.291 1.00 44.21 C ATOM 865 NH1 ARG A 51 17.175 2.734 12.091 1.00 43.14 N ATOM 866 NH2 ARG A 51 17.217 2.948 14.375 1.00 31.30 N ATOM 0 H ARG A 51 17.139 -1.829 9.603 1.00 54.01 H new ATOM 0 HA ARG A 51 18.800 0.417 8.922 1.00 75.44 H new ATOM 0 HB2 ARG A 51 18.771 -1.826 10.903 1.00 24.12 H new ATOM 0 HB3 ARG A 51 20.333 -1.121 10.537 1.00 24.12 H new ATOM 0 HG2 ARG A 51 19.800 0.340 12.186 1.00 70.13 H new ATOM 0 HG3 ARG A 51 18.887 1.153 10.930 1.00 70.13 H new ATOM 0 HD2 ARG A 51 16.828 0.114 11.608 1.00 42.00 H new ATOM 0 HD3 ARG A 51 17.660 -1.048 12.622 1.00 42.00 H new ATOM 0 HE ARG A 51 17.663 0.500 14.347 1.00 11.31 H new ATOM 0 HH11 ARG A 51 17.251 2.154 11.255 1.00 43.14 H new ATOM 0 HH12 ARG A 51 16.989 3.733 12.003 1.00 43.14 H new ATOM 0 HH21 ARG A 51 17.326 2.533 15.300 1.00 31.30 H new ATOM 0 HH22 ARG A 51 17.031 3.947 14.283 1.00 31.30 H new ATOM 880 N LEU A 52 19.425 -2.502 7.652 1.00 2.01 N ATOM 881 CA LEU A 52 20.265 -3.230 6.707 1.00 30.12 C ATOM 882 C LEU A 52 20.079 -2.697 5.290 1.00 2.33 C ATOM 883 O LEU A 52 19.204 -1.869 5.038 1.00 44.20 O ATOM 884 CB LEU A 52 19.937 -4.724 6.749 1.00 2.32 C ATOM 885 CG LEU A 52 20.525 -5.507 7.923 1.00 24.22 C ATOM 886 CD1 LEU A 52 19.905 -6.893 8.004 1.00 21.41 C ATOM 887 CD2 LEU A 52 22.039 -5.605 7.795 1.00 55.33 C ATOM 0 H LEU A 52 18.566 -2.986 7.913 1.00 2.01 H new ATOM 0 HA LEU A 52 21.306 -3.084 6.997 1.00 30.12 H new ATOM 0 HB2 LEU A 52 18.853 -4.837 6.769 1.00 2.32 H new ATOM 0 HB3 LEU A 52 20.288 -5.179 5.823 1.00 2.32 H new ATOM 0 HG LEU A 52 20.292 -4.972 8.844 1.00 24.22 H new ATOM 0 HD11 LEU A 52 20.336 -7.436 8.845 1.00 21.41 H new ATOM 0 HD12 LEU A 52 18.828 -6.802 8.144 1.00 21.41 H new ATOM 0 HD13 LEU A 52 20.106 -7.436 7.081 1.00 21.41 H new ATOM 0 HD21 LEU A 52 22.440 -6.166 8.639 1.00 55.33 H new ATOM 0 HD22 LEU A 52 22.293 -6.116 6.866 1.00 55.33 H new ATOM 0 HD23 LEU A 52 22.469 -4.603 7.787 1.00 55.33 H new ATOM 899 N ALA A 53 20.907 -3.179 4.369 1.00 52.31 N ATOM 900 CA ALA A 53 20.831 -2.754 2.977 1.00 51.33 C ATOM 901 C ALA A 53 19.996 -3.726 2.151 1.00 61.35 C ATOM 902 O ALA A 53 19.609 -4.792 2.632 1.00 55.12 O ATOM 903 CB ALA A 53 22.228 -2.622 2.388 1.00 32.21 C ATOM 0 H ALA A 53 21.638 -3.864 4.562 1.00 52.31 H new ATOM 0 HA ALA A 53 20.343 -1.780 2.947 1.00 51.33 H new ATOM 0 HB1 ALA A 53 22.156 -2.304 1.348 1.00 32.21 H new ATOM 0 HB2 ALA A 53 22.794 -1.883 2.955 1.00 32.21 H new ATOM 0 HB3 ALA A 53 22.737 -3.585 2.439 1.00 32.21 H new ATOM 909 N LEU A 54 19.722 -3.353 0.905 1.00 33.25 N ATOM 910 CA LEU A 54 18.932 -4.193 0.012 1.00 54.13 C ATOM 911 C LEU A 54 19.594 -5.552 -0.186 1.00 23.53 C ATOM 912 O LEU A 54 18.986 -6.593 0.066 1.00 1.30 O ATOM 913 CB LEU A 54 18.748 -3.501 -1.340 1.00 71.22 C ATOM 914 CG LEU A 54 17.414 -3.750 -2.046 1.00 24.31 C ATOM 915 CD1 LEU A 54 17.589 -3.687 -3.555 1.00 43.33 C ATOM 916 CD2 LEU A 54 16.834 -5.094 -1.631 1.00 22.44 C ATOM 0 H LEU A 54 20.035 -2.475 0.491 1.00 33.25 H new ATOM 0 HA LEU A 54 17.955 -4.349 0.470 1.00 54.13 H new ATOM 0 HB2 LEU A 54 18.864 -2.427 -1.195 1.00 71.22 H new ATOM 0 HB3 LEU A 54 19.552 -3.822 -2.002 1.00 71.22 H new ATOM 0 HG LEU A 54 16.716 -2.968 -1.749 1.00 24.31 H new ATOM 0 HD11 LEU A 54 16.630 -3.867 -4.040 1.00 43.33 H new ATOM 0 HD12 LEU A 54 17.960 -2.702 -3.837 1.00 43.33 H new ATOM 0 HD13 LEU A 54 18.303 -4.448 -3.871 1.00 43.33 H new ATOM 0 HD21 LEU A 54 15.885 -5.254 -2.143 1.00 22.44 H new ATOM 0 HD22 LEU A 54 17.530 -5.889 -1.899 1.00 22.44 H new ATOM 0 HD23 LEU A 54 16.671 -5.103 -0.553 1.00 22.44 H new ATOM 928 N TRP A 55 20.844 -5.536 -0.635 1.00 52.33 N ATOM 929 CA TRP A 55 21.590 -6.768 -0.864 1.00 41.22 C ATOM 930 C TRP A 55 21.392 -7.746 0.288 1.00 22.23 C ATOM 931 O TRP A 55 21.249 -8.951 0.076 1.00 3.43 O ATOM 932 CB TRP A 55 23.078 -6.462 -1.040 1.00 3.32 C ATOM 933 CG TRP A 55 23.750 -6.030 0.229 1.00 54.33 C ATOM 934 CD1 TRP A 55 23.891 -4.751 0.687 1.00 51.13 C ATOM 935 CD2 TRP A 55 24.372 -6.877 1.200 1.00 23.13 C ATOM 936 NE1 TRP A 55 24.564 -4.752 1.885 1.00 70.33 N ATOM 937 CE2 TRP A 55 24.870 -6.044 2.222 1.00 75.32 C ATOM 938 CE3 TRP A 55 24.556 -8.258 1.308 1.00 64.10 C ATOM 939 CZ2 TRP A 55 25.539 -6.549 3.334 1.00 73.04 C ATOM 940 CZ3 TRP A 55 25.221 -8.757 2.412 1.00 60.52 C ATOM 941 CH2 TRP A 55 25.705 -7.905 3.413 1.00 11.01 C ATOM 0 H TRP A 55 21.362 -4.684 -0.848 1.00 52.33 H new ATOM 0 HA TRP A 55 21.211 -7.229 -1.776 1.00 41.22 H new ATOM 0 HB2 TRP A 55 23.581 -7.349 -1.425 1.00 3.32 H new ATOM 0 HB3 TRP A 55 23.194 -5.679 -1.789 1.00 3.32 H new ATOM 0 HD1 TRP A 55 23.527 -3.869 0.182 1.00 51.13 H new ATOM 0 HE1 TRP A 55 24.798 -3.925 2.434 1.00 70.33 H new ATOM 0 HE3 TRP A 55 24.185 -8.923 0.542 1.00 64.10 H new ATOM 0 HZ2 TRP A 55 25.914 -5.894 4.107 1.00 73.04 H new ATOM 0 HZ3 TRP A 55 25.370 -9.823 2.505 1.00 60.52 H new ATOM 0 HH2 TRP A 55 26.219 -8.327 4.264 1.00 11.01 H new ATOM 952 N LYS A 56 21.385 -7.222 1.509 1.00 15.22 N ATOM 953 CA LYS A 56 21.203 -8.049 2.696 1.00 15.44 C ATOM 954 C LYS A 56 19.776 -8.584 2.773 1.00 2.43 C ATOM 955 O LYS A 56 19.562 -9.778 2.983 1.00 53.32 O ATOM 956 CB LYS A 56 21.526 -7.244 3.958 1.00 74.24 C ATOM 957 CG LYS A 56 21.663 -8.099 5.206 1.00 62.05 C ATOM 958 CD LYS A 56 23.042 -8.731 5.299 1.00 10.24 C ATOM 959 CE LYS A 56 23.263 -9.388 6.653 1.00 1.33 C ATOM 960 NZ LYS A 56 24.690 -9.322 7.075 1.00 14.35 N ATOM 0 H LYS A 56 21.503 -6.228 1.703 1.00 15.22 H new ATOM 0 HA LYS A 56 21.886 -8.895 2.627 1.00 15.44 H new ATOM 0 HB2 LYS A 56 22.454 -6.694 3.801 1.00 74.24 H new ATOM 0 HB3 LYS A 56 20.741 -6.505 4.118 1.00 74.24 H new ATOM 0 HG2 LYS A 56 21.482 -7.487 6.089 1.00 62.05 H new ATOM 0 HG3 LYS A 56 20.903 -8.880 5.198 1.00 62.05 H new ATOM 0 HD2 LYS A 56 23.157 -9.474 4.510 1.00 10.24 H new ATOM 0 HD3 LYS A 56 23.804 -7.970 5.134 1.00 10.24 H new ATOM 0 HE2 LYS A 56 22.640 -8.897 7.401 1.00 1.33 H new ATOM 0 HE3 LYS A 56 22.945 -10.430 6.607 1.00 1.33 H new ATOM 0 HZ1 LYS A 56 24.799 -9.780 8.002 1.00 14.35 H new ATOM 0 HZ2 LYS A 56 25.282 -9.812 6.375 1.00 14.35 H new ATOM 0 HZ3 LYS A 56 24.986 -8.327 7.143 1.00 14.35 H new ATOM 974 N ARG A 57 18.805 -7.693 2.601 1.00 32.13 N ATOM 975 CA ARG A 57 17.399 -8.077 2.651 1.00 1.51 C ATOM 976 C ARG A 57 17.097 -9.170 1.631 1.00 64.04 C ATOM 977 O ARG A 57 16.316 -10.082 1.897 1.00 62.44 O ATOM 978 CB ARG A 57 16.507 -6.861 2.391 1.00 64.11 C ATOM 979 CG ARG A 57 16.918 -5.625 3.175 1.00 61.42 C ATOM 980 CD ARG A 57 15.762 -5.078 3.997 1.00 1.23 C ATOM 981 NE ARG A 57 14.655 -4.632 3.156 1.00 33.10 N ATOM 982 CZ ARG A 57 14.619 -3.449 2.553 1.00 5.13 C ATOM 983 NH1 ARG A 57 15.625 -2.597 2.698 1.00 64.41 N ATOM 984 NH2 ARG A 57 13.577 -3.116 1.804 1.00 53.44 N ATOM 0 H ARG A 57 18.966 -6.701 2.426 1.00 32.13 H new ATOM 0 HA ARG A 57 17.190 -8.467 3.647 1.00 1.51 H new ATOM 0 HB2 ARG A 57 16.526 -6.628 1.326 1.00 64.11 H new ATOM 0 HB3 ARG A 57 15.478 -7.115 2.644 1.00 64.11 H new ATOM 0 HG2 ARG A 57 17.750 -5.871 3.834 1.00 61.42 H new ATOM 0 HG3 ARG A 57 17.272 -4.857 2.487 1.00 61.42 H new ATOM 0 HD2 ARG A 57 15.409 -5.848 4.683 1.00 1.23 H new ATOM 0 HD3 ARG A 57 16.113 -4.245 4.606 1.00 1.23 H new ATOM 0 HE ARG A 57 13.865 -5.264 3.024 1.00 33.10 H new ATOM 0 HH11 ARG A 57 16.428 -2.850 3.273 1.00 64.41 H new ATOM 0 HH12 ARG A 57 15.595 -1.689 2.234 1.00 64.41 H new ATOM 0 HH21 ARG A 57 12.801 -3.769 1.690 1.00 53.44 H new ATOM 0 HH22 ARG A 57 13.551 -2.207 1.342 1.00 53.44 H new ATOM 998 N ASN A 58 17.722 -9.070 0.462 1.00 61.13 N ATOM 999 CA ASN A 58 17.520 -10.050 -0.599 1.00 54.14 C ATOM 1000 C ASN A 58 18.087 -11.409 -0.200 1.00 51.25 C ATOM 1001 O ASN A 58 17.398 -12.427 -0.274 1.00 41.53 O ATOM 1002 CB ASN A 58 18.176 -9.571 -1.896 1.00 31.40 C ATOM 1003 CG ASN A 58 17.242 -8.725 -2.739 1.00 35.21 C ATOM 1004 OD1 ASN A 58 16.067 -9.055 -2.905 1.00 61.20 O ATOM 1005 ND2 ASN A 58 17.761 -7.627 -3.276 1.00 75.32 N ATOM 0 H ASN A 58 18.372 -8.321 0.226 1.00 61.13 H new ATOM 0 HA ASN A 58 16.447 -10.158 -0.761 1.00 54.14 H new ATOM 0 HB2 ASN A 58 19.068 -8.993 -1.656 1.00 31.40 H new ATOM 0 HB3 ASN A 58 18.502 -10.435 -2.476 1.00 31.40 H new ATOM 0 HD21 ASN A 58 17.181 -7.018 -3.853 1.00 75.32 H new ATOM 0 HD22 ASN A 58 18.740 -7.393 -3.112 1.00 75.32 H new ATOM 1012 N ASP A 59 19.346 -11.417 0.223 1.00 41.24 N ATOM 1013 CA ASP A 59 20.006 -12.650 0.635 1.00 3.02 C ATOM 1014 C ASP A 59 19.193 -13.370 1.706 1.00 11.34 C ATOM 1015 O ASP A 59 18.871 -14.550 1.568 1.00 72.51 O ATOM 1016 CB ASP A 59 21.412 -12.350 1.159 1.00 34.55 C ATOM 1017 CG ASP A 59 22.158 -13.606 1.566 1.00 34.11 C ATOM 1018 OD1 ASP A 59 22.301 -14.512 0.719 1.00 74.44 O ATOM 1019 OD2 ASP A 59 22.599 -13.682 2.731 1.00 22.15 O ATOM 0 H ASP A 59 19.930 -10.583 0.290 1.00 41.24 H new ATOM 0 HA ASP A 59 20.082 -13.301 -0.236 1.00 3.02 H new ATOM 0 HB2 ASP A 59 21.980 -11.827 0.389 1.00 34.55 H new ATOM 0 HB3 ASP A 59 21.342 -11.679 2.015 1.00 34.55 H new ATOM 1024 N LEU A 60 18.865 -12.652 2.775 1.00 52.53 N ATOM 1025 CA LEU A 60 18.089 -13.222 3.871 1.00 5.42 C ATOM 1026 C LEU A 60 16.757 -13.768 3.369 1.00 14.33 C ATOM 1027 O LEU A 60 16.285 -14.806 3.832 1.00 32.51 O ATOM 1028 CB LEU A 60 17.847 -12.167 4.953 1.00 70.24 C ATOM 1029 CG LEU A 60 19.097 -11.547 5.578 1.00 61.22 C ATOM 1030 CD1 LEU A 60 18.823 -10.116 6.013 1.00 54.03 C ATOM 1031 CD2 LEU A 60 19.574 -12.383 6.757 1.00 41.32 C ATOM 0 H LEU A 60 19.124 -11.674 2.906 1.00 52.53 H new ATOM 0 HA LEU A 60 18.660 -14.047 4.298 1.00 5.42 H new ATOM 0 HB2 LEU A 60 17.245 -11.366 4.523 1.00 70.24 H new ATOM 0 HB3 LEU A 60 17.254 -12.620 5.748 1.00 70.24 H new ATOM 0 HG LEU A 60 19.886 -11.531 4.826 1.00 61.22 H new ATOM 0 HD11 LEU A 60 19.724 -9.691 6.455 1.00 54.03 H new ATOM 0 HD12 LEU A 60 18.529 -9.522 5.147 1.00 54.03 H new ATOM 0 HD13 LEU A 60 18.019 -10.107 6.749 1.00 54.03 H new ATOM 0 HD21 LEU A 60 20.464 -11.927 7.190 1.00 41.32 H new ATOM 0 HD22 LEU A 60 18.788 -12.431 7.511 1.00 41.32 H new ATOM 0 HD23 LEU A 60 19.812 -13.391 6.416 1.00 41.32 H new ATOM 1043 N LYS A 61 16.154 -13.062 2.418 1.00 5.11 N ATOM 1044 CA LYS A 61 14.877 -13.476 1.849 1.00 24.45 C ATOM 1045 C LYS A 61 14.977 -14.876 1.252 1.00 34.31 C ATOM 1046 O LYS A 61 14.200 -15.767 1.598 1.00 3.04 O ATOM 1047 CB LYS A 61 14.427 -12.483 0.776 1.00 43.01 C ATOM 1048 CG LYS A 61 13.494 -11.404 1.298 1.00 22.32 C ATOM 1049 CD LYS A 61 12.699 -10.762 0.174 1.00 63.23 C ATOM 1050 CE LYS A 61 13.442 -9.580 -0.429 1.00 41.33 C ATOM 1051 NZ LYS A 61 12.546 -8.724 -1.255 1.00 74.22 N ATOM 0 H LYS A 61 16.530 -12.199 2.025 1.00 5.11 H new ATOM 0 HA LYS A 61 14.139 -13.493 2.651 1.00 24.45 H new ATOM 0 HB2 LYS A 61 15.306 -12.010 0.339 1.00 43.01 H new ATOM 0 HB3 LYS A 61 13.927 -13.028 -0.024 1.00 43.01 H new ATOM 0 HG2 LYS A 61 12.810 -11.836 2.028 1.00 22.32 H new ATOM 0 HG3 LYS A 61 14.074 -10.641 1.817 1.00 22.32 H new ATOM 0 HD2 LYS A 61 12.500 -11.502 -0.601 1.00 63.23 H new ATOM 0 HD3 LYS A 61 11.733 -10.430 0.554 1.00 63.23 H new ATOM 0 HE2 LYS A 61 13.881 -8.982 0.369 1.00 41.33 H new ATOM 0 HE3 LYS A 61 14.265 -9.944 -1.044 1.00 41.33 H new ATOM 0 HZ1 LYS A 61 13.097 -8.279 -2.017 1.00 74.22 H new ATOM 0 HZ2 LYS A 61 11.792 -9.309 -1.669 1.00 74.22 H new ATOM 0 HZ3 LYS A 61 12.123 -7.986 -0.657 1.00 74.22 H new ATOM 1065 N LYS A 62 15.937 -15.065 0.354 1.00 45.41 N ATOM 1066 CA LYS A 62 16.141 -16.357 -0.290 1.00 51.22 C ATOM 1067 C LYS A 62 16.330 -17.458 0.748 1.00 61.41 C ATOM 1068 O LYS A 62 15.793 -18.557 0.607 1.00 31.24 O ATOM 1069 CB LYS A 62 17.357 -16.302 -1.218 1.00 54.41 C ATOM 1070 CG LYS A 62 17.185 -15.350 -2.390 1.00 32.33 C ATOM 1071 CD LYS A 62 18.373 -14.412 -2.525 1.00 75.31 C ATOM 1072 CE LYS A 62 18.154 -13.393 -3.633 1.00 65.41 C ATOM 1073 NZ LYS A 62 19.401 -12.642 -3.948 1.00 53.44 N ATOM 0 H LYS A 62 16.587 -14.338 0.055 1.00 45.41 H new ATOM 0 HA LYS A 62 15.253 -16.585 -0.879 1.00 51.22 H new ATOM 0 HB2 LYS A 62 18.231 -16.000 -0.641 1.00 54.41 H new ATOM 0 HB3 LYS A 62 17.558 -17.303 -1.600 1.00 54.41 H new ATOM 0 HG2 LYS A 62 17.065 -15.922 -3.310 1.00 32.33 H new ATOM 0 HG3 LYS A 62 16.274 -14.767 -2.256 1.00 32.33 H new ATOM 0 HD2 LYS A 62 18.539 -13.894 -1.580 1.00 75.31 H new ATOM 0 HD3 LYS A 62 19.273 -14.990 -2.734 1.00 75.31 H new ATOM 0 HE2 LYS A 62 17.800 -13.901 -4.530 1.00 65.41 H new ATOM 0 HE3 LYS A 62 17.374 -12.693 -3.334 1.00 65.41 H new ATOM 0 HZ1 LYS A 62 19.211 -11.957 -4.708 1.00 53.44 H new ATOM 0 HZ2 LYS A 62 19.726 -12.136 -3.099 1.00 53.44 H new ATOM 0 HZ3 LYS A 62 20.138 -13.307 -4.258 1.00 53.44 H new ATOM 1087 N LYS A 63 17.096 -17.157 1.791 1.00 12.20 N ATOM 1088 CA LYS A 63 17.354 -18.120 2.855 1.00 41.30 C ATOM 1089 C LYS A 63 16.068 -18.467 3.598 1.00 22.13 C ATOM 1090 O LYS A 63 15.904 -19.586 4.083 1.00 34.12 O ATOM 1091 CB LYS A 63 18.388 -17.562 3.836 1.00 51.11 C ATOM 1092 CG LYS A 63 18.773 -18.538 4.934 1.00 65.24 C ATOM 1093 CD LYS A 63 19.343 -17.819 6.145 1.00 40.11 C ATOM 1094 CE LYS A 63 20.780 -17.380 5.908 1.00 52.44 C ATOM 1095 NZ LYS A 63 20.851 -16.044 5.253 1.00 75.13 N ATOM 0 H LYS A 63 17.549 -16.253 1.922 1.00 12.20 H new ATOM 0 HA LYS A 63 17.747 -19.030 2.401 1.00 41.30 H new ATOM 0 HB2 LYS A 63 19.284 -17.277 3.284 1.00 51.11 H new ATOM 0 HB3 LYS A 63 17.992 -16.654 4.291 1.00 51.11 H new ATOM 0 HG2 LYS A 63 17.898 -19.116 5.231 1.00 65.24 H new ATOM 0 HG3 LYS A 63 19.508 -19.246 4.551 1.00 65.24 H new ATOM 0 HD2 LYS A 63 18.729 -16.948 6.375 1.00 40.11 H new ATOM 0 HD3 LYS A 63 19.301 -18.477 7.013 1.00 40.11 H new ATOM 0 HE2 LYS A 63 21.311 -17.347 6.859 1.00 52.44 H new ATOM 0 HE3 LYS A 63 21.287 -18.117 5.285 1.00 52.44 H new ATOM 0 HZ1 LYS A 63 21.375 -16.124 4.358 1.00 75.13 H new ATOM 0 HZ2 LYS A 63 19.889 -15.700 5.061 1.00 75.13 H new ATOM 0 HZ3 LYS A 63 21.339 -15.375 5.882 1.00 75.13 H new ATOM 1109 N ALA A 64 15.159 -17.501 3.683 1.00 63.24 N ATOM 1110 CA ALA A 64 13.887 -17.707 4.363 1.00 0.34 C ATOM 1111 C ALA A 64 12.886 -18.411 3.455 1.00 74.43 C ATOM 1112 O ALA A 64 11.720 -18.582 3.813 1.00 35.20 O ATOM 1113 CB ALA A 64 13.324 -16.377 4.842 1.00 54.31 C ATOM 0 H ALA A 64 15.280 -16.568 3.289 1.00 63.24 H new ATOM 0 HA ALA A 64 14.065 -18.347 5.227 1.00 0.34 H new ATOM 0 HB1 ALA A 64 12.374 -16.545 5.348 1.00 54.31 H new ATOM 0 HB2 ALA A 64 14.026 -15.913 5.534 1.00 54.31 H new ATOM 0 HB3 ALA A 64 13.168 -15.719 3.987 1.00 54.31 H new ATOM 1119 N LEU A 65 13.347 -18.818 2.277 1.00 32.12 N ATOM 1120 CA LEU A 65 12.491 -19.504 1.316 1.00 73.42 C ATOM 1121 C LEU A 65 11.459 -18.548 0.725 1.00 23.24 C ATOM 1122 O LEU A 65 10.337 -18.946 0.410 1.00 70.10 O ATOM 1123 CB LEU A 65 11.784 -20.685 1.984 1.00 24.30 C ATOM 1124 CG LEU A 65 12.639 -21.532 2.927 1.00 24.51 C ATOM 1125 CD1 LEU A 65 11.757 -22.351 3.857 1.00 63.22 C ATOM 1126 CD2 LEU A 65 13.569 -22.440 2.134 1.00 13.12 C ATOM 0 H LEU A 65 14.309 -18.685 1.965 1.00 32.12 H new ATOM 0 HA LEU A 65 13.121 -19.875 0.507 1.00 73.42 H new ATOM 0 HB2 LEU A 65 10.931 -20.302 2.544 1.00 24.30 H new ATOM 0 HB3 LEU A 65 11.388 -21.334 1.203 1.00 24.30 H new ATOM 0 HG LEU A 65 13.248 -20.862 3.534 1.00 24.51 H new ATOM 0 HD11 LEU A 65 12.383 -22.947 4.521 1.00 63.22 H new ATOM 0 HD12 LEU A 65 11.134 -21.682 4.450 1.00 63.22 H new ATOM 0 HD13 LEU A 65 11.121 -23.012 3.267 1.00 63.22 H new ATOM 0 HD21 LEU A 65 14.170 -23.035 2.822 1.00 13.12 H new ATOM 0 HD22 LEU A 65 12.978 -23.102 1.501 1.00 13.12 H new ATOM 0 HD23 LEU A 65 14.226 -21.833 1.511 1.00 13.12 H new ATOM 1138 N LEU A 66 11.847 -17.286 0.576 1.00 22.55 N ATOM 1139 CA LEU A 66 10.957 -16.273 0.021 1.00 10.12 C ATOM 1140 C LEU A 66 11.110 -16.185 -1.494 1.00 11.21 C ATOM 1141 O LEU A 66 10.161 -15.857 -2.206 1.00 75.52 O ATOM 1142 CB LEU A 66 11.245 -14.911 0.654 1.00 4.53 C ATOM 1143 CG LEU A 66 10.331 -14.500 1.809 1.00 23.24 C ATOM 1144 CD1 LEU A 66 11.066 -13.579 2.771 1.00 64.04 C ATOM 1145 CD2 LEU A 66 9.073 -13.828 1.281 1.00 52.34 C ATOM 0 H LEU A 66 12.772 -16.940 0.832 1.00 22.55 H new ATOM 0 HA LEU A 66 9.931 -16.562 0.248 1.00 10.12 H new ATOM 0 HB2 LEU A 66 12.274 -14.910 1.014 1.00 4.53 H new ATOM 0 HB3 LEU A 66 11.179 -14.150 -0.124 1.00 4.53 H new ATOM 0 HG LEU A 66 10.038 -15.399 2.352 1.00 23.24 H new ATOM 0 HD11 LEU A 66 10.399 -13.297 3.586 1.00 64.04 H new ATOM 0 HD12 LEU A 66 11.936 -14.096 3.176 1.00 64.04 H new ATOM 0 HD13 LEU A 66 11.390 -12.683 2.241 1.00 64.04 H new ATOM 0 HD21 LEU A 66 8.435 -13.542 2.117 1.00 52.34 H new ATOM 0 HD22 LEU A 66 9.347 -12.939 0.713 1.00 52.34 H new ATOM 0 HD23 LEU A 66 8.535 -14.521 0.634 1.00 52.34 H new ATOM 1157 N PHE A 67 12.311 -16.481 -1.980 1.00 75.14 N ATOM 1158 CA PHE A 67 12.588 -16.437 -3.411 1.00 52.24 C ATOM 1159 C PHE A 67 12.807 -17.841 -3.967 1.00 23.03 C ATOM 1160 O PHE A 67 13.387 -18.698 -3.301 1.00 34.31 O ATOM 1161 CB PHE A 67 13.817 -15.569 -3.688 1.00 3.05 C ATOM 1162 CG PHE A 67 13.580 -14.103 -3.461 1.00 32.34 C ATOM 1163 CD1 PHE A 67 12.299 -13.621 -3.246 1.00 0.42 C ATOM 1164 CD2 PHE A 67 14.638 -13.208 -3.463 1.00 35.23 C ATOM 1165 CE1 PHE A 67 12.077 -12.273 -3.036 1.00 50.53 C ATOM 1166 CE2 PHE A 67 14.422 -11.859 -3.253 1.00 73.33 C ATOM 1167 CZ PHE A 67 13.140 -11.391 -3.041 1.00 52.31 C ATOM 0 H PHE A 67 13.108 -16.754 -1.404 1.00 75.14 H new ATOM 0 HA PHE A 67 11.723 -15.999 -3.909 1.00 52.24 H new ATOM 0 HB2 PHE A 67 14.636 -15.899 -3.050 1.00 3.05 H new ATOM 0 HB3 PHE A 67 14.135 -15.722 -4.719 1.00 3.05 H new ATOM 0 HD1 PHE A 67 11.464 -14.306 -3.242 1.00 0.42 H new ATOM 0 HD2 PHE A 67 15.642 -13.568 -3.630 1.00 35.23 H new ATOM 0 HE1 PHE A 67 11.074 -11.910 -2.868 1.00 50.53 H new ATOM 0 HE2 PHE A 67 15.255 -11.172 -3.255 1.00 73.33 H new ATOM 0 HZ PHE A 67 12.969 -10.337 -2.879 1.00 52.31 H new TER 1177 PHE A 67