USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 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 18 MET CE :methyl -148:sc= -3.92! (180deg=-2.79) USER MOD Set 1.2: A 21 MET CE :methyl 180:sc= -4.74! (180deg=-4.73!) USER MOD Single : A 1 GLY N :NH3+ -141:sc= -0.0189 (180deg=-0.67) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 78:sc= 0.0041 USER MOD Single : A 17 GLN : amide:sc= -0.932 K(o=-0.93,f=-1.6!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.9!) USER MOD Single : A 36 THR OG1 : rot -29:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0974 X(o=-0.097,f=-0.097) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 59:sc= -0.281 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -61:sc= 0.597 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.685 -3.047 -12.395 1.00 13.13 N ATOM 2 CA GLY A 1 -4.438 -2.735 -11.722 1.00 42.01 C ATOM 3 C GLY A 1 -4.045 -3.792 -10.709 1.00 60.24 C ATOM 4 O GLY A 1 -4.162 -3.597 -9.499 1.00 71.34 O ATOM 0 H1 GLY A 1 -5.614 -2.782 -13.398 1.00 13.13 H new ATOM 0 H2 GLY A 1 -5.875 -4.067 -12.319 1.00 13.13 H new ATOM 0 H3 GLY A 1 -6.461 -2.516 -11.951 1.00 13.13 H new ATOM 0 HA2 GLY A 1 -3.645 -2.633 -12.463 1.00 42.01 H new ATOM 0 HA3 GLY A 1 -4.531 -1.772 -11.220 1.00 42.01 H new ATOM 8 N PRO A 2 -3.568 -4.944 -11.205 1.00 41.30 N ATOM 9 CA PRO A 2 -3.148 -6.059 -10.352 1.00 31.24 C ATOM 10 C PRO A 2 -1.871 -5.749 -9.579 1.00 2.03 C ATOM 11 O PRO A 2 -0.804 -5.571 -10.168 1.00 50.32 O ATOM 12 CB PRO A 2 -2.908 -7.197 -11.347 1.00 43.44 C ATOM 13 CG PRO A 2 -2.594 -6.514 -12.634 1.00 11.11 C ATOM 14 CD PRO A 2 -3.401 -5.245 -12.637 1.00 30.03 C ATOM 0 HA PRO A 2 -3.892 -6.291 -9.590 1.00 31.24 H new ATOM 0 HB2 PRO A 2 -2.085 -7.836 -11.027 1.00 43.44 H new ATOM 0 HB3 PRO A 2 -3.788 -7.833 -11.441 1.00 43.44 H new ATOM 0 HG2 PRO A 2 -1.528 -6.299 -12.712 1.00 11.11 H new ATOM 0 HG3 PRO A 2 -2.855 -7.144 -13.484 1.00 11.11 H new ATOM 0 HD2 PRO A 2 -2.883 -4.441 -13.159 1.00 30.03 H new ATOM 0 HD3 PRO A 2 -4.362 -5.381 -13.134 1.00 30.03 H new ATOM 22 N LEU A 3 -1.985 -5.686 -8.257 1.00 34.23 N ATOM 23 CA LEU A 3 -0.839 -5.398 -7.402 1.00 43.12 C ATOM 24 C LEU A 3 -0.646 -6.495 -6.361 1.00 32.44 C ATOM 25 O LEU A 3 -1.328 -6.520 -5.337 1.00 21.23 O ATOM 26 CB LEU A 3 -1.022 -4.047 -6.708 1.00 43.04 C ATOM 27 CG LEU A 3 0.261 -3.287 -6.371 1.00 3.34 C ATOM 28 CD1 LEU A 3 0.653 -2.365 -7.515 1.00 73.12 C ATOM 29 CD2 LEU A 3 0.089 -2.496 -5.082 1.00 21.12 C ATOM 0 H LEU A 3 -2.860 -5.831 -7.754 1.00 34.23 H new ATOM 0 HA LEU A 3 0.051 -5.359 -8.031 1.00 43.12 H new ATOM 0 HB2 LEU A 3 -1.639 -3.414 -7.346 1.00 43.04 H new ATOM 0 HB3 LEU A 3 -1.579 -4.208 -5.785 1.00 43.04 H new ATOM 0 HG LEU A 3 1.062 -4.012 -6.226 1.00 3.34 H new ATOM 0 HD11 LEU A 3 1.568 -1.833 -7.256 1.00 73.12 H new ATOM 0 HD12 LEU A 3 0.819 -2.954 -8.417 1.00 73.12 H new ATOM 0 HD13 LEU A 3 -0.147 -1.646 -7.693 1.00 73.12 H new ATOM 0 HD21 LEU A 3 1.012 -1.961 -4.857 1.00 21.12 H new ATOM 0 HD22 LEU A 3 -0.725 -1.781 -5.200 1.00 21.12 H new ATOM 0 HD23 LEU A 3 -0.143 -3.179 -4.264 1.00 21.12 H new ATOM 41 N GLY A 4 0.289 -7.402 -6.629 1.00 3.52 N ATOM 42 CA GLY A 4 0.556 -8.488 -5.704 1.00 44.15 C ATOM 43 C GLY A 4 1.709 -9.362 -6.155 1.00 64.53 C ATOM 44 O GLY A 4 1.540 -10.234 -7.008 1.00 31.00 O ATOM 0 H GLY A 4 0.866 -7.404 -7.470 1.00 3.52 H new ATOM 0 HA2 GLY A 4 0.779 -8.076 -4.720 1.00 44.15 H new ATOM 0 HA3 GLY A 4 -0.340 -9.100 -5.598 1.00 44.15 H new ATOM 48 N SER A 5 2.886 -9.129 -5.583 1.00 62.01 N ATOM 49 CA SER A 5 4.074 -9.899 -5.935 1.00 54.23 C ATOM 50 C SER A 5 4.113 -11.218 -5.170 1.00 15.01 C ATOM 51 O SER A 5 4.578 -12.233 -5.686 1.00 72.33 O ATOM 52 CB SER A 5 5.338 -9.089 -5.642 1.00 51.44 C ATOM 53 OG SER A 5 6.482 -9.708 -6.205 1.00 11.42 O ATOM 0 H SER A 5 3.043 -8.413 -4.874 1.00 62.01 H new ATOM 0 HA SER A 5 4.031 -10.119 -7.002 1.00 54.23 H new ATOM 0 HB2 SER A 5 5.230 -8.082 -6.045 1.00 51.44 H new ATOM 0 HB3 SER A 5 5.468 -8.989 -4.564 1.00 51.44 H new ATOM 0 HG SER A 5 7.277 -9.170 -6.005 1.00 11.42 H new ATOM 59 N GLU A 6 3.620 -11.193 -3.935 1.00 62.43 N ATOM 60 CA GLU A 6 3.599 -12.387 -3.098 1.00 25.00 C ATOM 61 C GLU A 6 2.547 -13.377 -3.588 1.00 61.43 C ATOM 62 O GLU A 6 1.766 -13.074 -4.489 1.00 41.25 O ATOM 63 CB GLU A 6 3.322 -12.010 -1.641 1.00 75.42 C ATOM 64 CG GLU A 6 4.358 -12.543 -0.666 1.00 62.24 C ATOM 65 CD GLU A 6 5.619 -11.701 -0.638 1.00 21.51 C ATOM 66 OE1 GLU A 6 6.257 -11.551 -1.701 1.00 31.02 O ATOM 67 OE2 GLU A 6 5.968 -11.193 0.448 1.00 12.12 O ATOM 0 H GLU A 6 3.231 -10.360 -3.493 1.00 62.43 H new ATOM 0 HA GLU A 6 4.578 -12.863 -3.163 1.00 25.00 H new ATOM 0 HB2 GLU A 6 3.282 -10.924 -1.557 1.00 75.42 H new ATOM 0 HB3 GLU A 6 2.340 -12.388 -1.357 1.00 75.42 H new ATOM 0 HG2 GLU A 6 3.926 -12.578 0.334 1.00 62.24 H new ATOM 0 HG3 GLU A 6 4.615 -13.567 -0.938 1.00 62.24 H new ATOM 74 N ALA A 7 2.534 -14.563 -2.988 1.00 61.24 N ATOM 75 CA ALA A 7 1.578 -15.598 -3.362 1.00 51.12 C ATOM 76 C ALA A 7 0.992 -16.275 -2.128 1.00 73.32 C ATOM 77 O ALA A 7 1.185 -15.813 -1.004 1.00 13.33 O ATOM 78 CB ALA A 7 2.240 -16.627 -4.267 1.00 2.42 C ATOM 0 H ALA A 7 3.175 -14.831 -2.241 1.00 61.24 H new ATOM 0 HA ALA A 7 0.762 -15.124 -3.907 1.00 51.12 H new ATOM 0 HB1 ALA A 7 1.514 -17.394 -4.538 1.00 2.42 H new ATOM 0 HB2 ALA A 7 2.604 -16.137 -5.170 1.00 2.42 H new ATOM 0 HB3 ALA A 7 3.076 -17.089 -3.742 1.00 2.42 H new ATOM 84 N ASP A 8 0.275 -17.372 -2.346 1.00 31.43 N ATOM 85 CA ASP A 8 -0.340 -18.114 -1.251 1.00 4.14 C ATOM 86 C ASP A 8 -0.036 -19.604 -1.366 1.00 31.40 C ATOM 87 O ASP A 8 0.316 -20.111 -2.432 1.00 13.43 O ATOM 88 CB ASP A 8 -1.852 -17.888 -1.239 1.00 73.11 C ATOM 89 CG ASP A 8 -2.309 -17.087 -0.036 1.00 1.12 C ATOM 90 OD1 ASP A 8 -1.536 -16.224 0.431 1.00 40.22 O ATOM 91 OD2 ASP A 8 -3.440 -17.322 0.439 1.00 65.42 O ATOM 0 H ASP A 8 0.105 -17.767 -3.271 1.00 31.43 H new ATOM 0 HA ASP A 8 0.081 -17.747 -0.315 1.00 4.14 H new ATOM 0 HB2 ASP A 8 -2.146 -17.368 -2.151 1.00 73.11 H new ATOM 0 HB3 ASP A 8 -2.360 -18.852 -1.244 1.00 73.11 H new ATOM 96 N PRO A 9 -0.174 -20.325 -0.243 1.00 64.32 N ATOM 97 CA PRO A 9 0.082 -21.768 -0.193 1.00 15.15 C ATOM 98 C PRO A 9 -0.970 -22.570 -0.953 1.00 5.44 C ATOM 99 O PRO A 9 -0.662 -23.594 -1.562 1.00 24.22 O ATOM 100 CB PRO A 9 0.019 -22.087 1.303 1.00 11.13 C ATOM 101 CG PRO A 9 -0.848 -21.022 1.882 1.00 60.24 C ATOM 102 CD PRO A 9 -0.589 -19.788 1.063 1.00 14.41 C ATOM 0 HA PRO A 9 1.032 -22.030 -0.660 1.00 15.15 H new ATOM 0 HB2 PRO A 9 -0.400 -23.078 1.479 1.00 11.13 H new ATOM 0 HB3 PRO A 9 1.012 -22.077 1.752 1.00 11.13 H new ATOM 0 HG2 PRO A 9 -1.899 -21.307 1.837 1.00 60.24 H new ATOM 0 HG3 PRO A 9 -0.609 -20.851 2.932 1.00 60.24 H new ATOM 0 HD2 PRO A 9 -1.482 -19.168 0.977 1.00 14.41 H new ATOM 0 HD3 PRO A 9 0.189 -19.167 1.507 1.00 14.41 H new ATOM 110 N ARG A 10 -2.211 -22.096 -0.913 1.00 22.50 N ATOM 111 CA ARG A 10 -3.307 -22.770 -1.598 1.00 35.32 C ATOM 112 C ARG A 10 -3.450 -22.260 -3.029 1.00 31.22 C ATOM 113 O ARG A 10 -4.424 -22.571 -3.716 1.00 63.42 O ATOM 114 CB ARG A 10 -4.618 -22.560 -0.837 1.00 40.11 C ATOM 115 CG ARG A 10 -4.824 -23.542 0.305 1.00 41.04 C ATOM 116 CD ARG A 10 -4.833 -22.836 1.652 1.00 60.44 C ATOM 117 NE ARG A 10 -4.965 -23.777 2.761 1.00 14.32 N ATOM 118 CZ ARG A 10 -5.241 -23.409 4.007 1.00 2.34 C ATOM 119 NH1 ARG A 10 -5.412 -22.127 4.301 1.00 35.22 N ATOM 120 NH2 ARG A 10 -5.346 -24.324 4.963 1.00 44.51 N ATOM 0 H ARG A 10 -2.482 -21.249 -0.414 1.00 22.50 H new ATOM 0 HA ARG A 10 -3.080 -23.836 -1.632 1.00 35.32 H new ATOM 0 HB2 ARG A 10 -4.639 -21.545 -0.440 1.00 40.11 H new ATOM 0 HB3 ARG A 10 -5.451 -22.647 -1.535 1.00 40.11 H new ATOM 0 HG2 ARG A 10 -5.766 -24.072 0.165 1.00 41.04 H new ATOM 0 HG3 ARG A 10 -4.031 -24.290 0.290 1.00 41.04 H new ATOM 0 HD2 ARG A 10 -3.912 -22.265 1.768 1.00 60.44 H new ATOM 0 HD3 ARG A 10 -5.656 -22.122 1.682 1.00 60.44 H new ATOM 0 HE ARG A 10 -4.838 -24.771 2.568 1.00 14.32 H new ATOM 0 HH11 ARG A 10 -5.332 -21.421 3.569 1.00 35.22 H new ATOM 0 HH12 ARG A 10 -5.624 -21.847 5.259 1.00 35.22 H new ATOM 0 HH21 ARG A 10 -5.215 -25.311 4.741 1.00 44.51 H new ATOM 0 HH22 ARG A 10 -5.558 -24.040 5.920 1.00 44.51 H new ATOM 134 N LEU A 11 -2.474 -21.475 -3.471 1.00 52.03 N ATOM 135 CA LEU A 11 -2.491 -20.921 -4.821 1.00 5.23 C ATOM 136 C LEU A 11 -1.298 -21.421 -5.629 1.00 43.12 C ATOM 137 O LEU A 11 -1.447 -21.847 -6.775 1.00 22.02 O ATOM 138 CB LEU A 11 -2.479 -19.392 -4.766 1.00 30.24 C ATOM 139 CG LEU A 11 -2.298 -18.674 -6.103 1.00 54.32 C ATOM 140 CD1 LEU A 11 -3.536 -18.843 -6.971 1.00 45.14 C ATOM 141 CD2 LEU A 11 -1.999 -17.198 -5.880 1.00 70.41 C ATOM 0 H LEU A 11 -1.661 -21.208 -2.915 1.00 52.03 H new ATOM 0 HA LEU A 11 -3.405 -21.254 -5.313 1.00 5.23 H new ATOM 0 HB2 LEU A 11 -3.416 -19.057 -4.320 1.00 30.24 H new ATOM 0 HB3 LEU A 11 -1.678 -19.079 -4.097 1.00 30.24 H new ATOM 0 HG LEU A 11 -1.451 -19.122 -6.622 1.00 54.32 H new ATOM 0 HD11 LEU A 11 -3.389 -18.325 -7.919 1.00 45.14 H new ATOM 0 HD12 LEU A 11 -3.707 -19.903 -7.159 1.00 45.14 H new ATOM 0 HD13 LEU A 11 -4.400 -18.422 -6.458 1.00 45.14 H new ATOM 0 HD21 LEU A 11 -1.873 -16.703 -6.843 1.00 70.41 H new ATOM 0 HD22 LEU A 11 -2.826 -16.737 -5.340 1.00 70.41 H new ATOM 0 HD23 LEU A 11 -1.084 -17.096 -5.297 1.00 70.41 H new ATOM 153 N ILE A 12 -0.116 -21.368 -5.025 1.00 3.34 N ATOM 154 CA ILE A 12 1.102 -21.818 -5.687 1.00 72.44 C ATOM 155 C ILE A 12 0.958 -23.253 -6.185 1.00 2.33 C ATOM 156 O ILE A 12 1.572 -23.639 -7.178 1.00 64.53 O ATOM 157 CB ILE A 12 2.319 -21.732 -4.748 1.00 61.00 C ATOM 158 CG1 ILE A 12 2.100 -22.607 -3.512 1.00 63.22 C ATOM 159 CG2 ILE A 12 2.574 -20.288 -4.343 1.00 0.13 C ATOM 160 CD1 ILE A 12 2.730 -23.978 -3.624 1.00 33.25 C ATOM 0 H ILE A 12 0.024 -21.018 -4.077 1.00 3.34 H new ATOM 0 HA ILE A 12 1.263 -21.155 -6.537 1.00 72.44 H new ATOM 0 HB ILE A 12 3.196 -22.100 -5.280 1.00 61.00 H new ATOM 0 HG12 ILE A 12 2.509 -22.098 -2.639 1.00 63.22 H new ATOM 0 HG13 ILE A 12 1.029 -22.721 -3.342 1.00 63.22 H new ATOM 0 HG21 ILE A 12 3.437 -20.243 -3.679 1.00 0.13 H new ATOM 0 HG22 ILE A 12 2.769 -19.690 -5.233 1.00 0.13 H new ATOM 0 HG23 ILE A 12 1.698 -19.895 -3.826 1.00 0.13 H new ATOM 0 HD11 ILE A 12 2.535 -24.544 -2.713 1.00 33.25 H new ATOM 0 HD12 ILE A 12 2.303 -24.506 -4.477 1.00 33.25 H new ATOM 0 HD13 ILE A 12 3.806 -23.874 -3.763 1.00 33.25 H new ATOM 172 N GLU A 13 0.141 -24.036 -5.487 1.00 64.23 N ATOM 173 CA GLU A 13 -0.083 -25.428 -5.859 1.00 74.13 C ATOM 174 C GLU A 13 -0.525 -25.537 -7.316 1.00 63.40 C ATOM 175 O GLU A 13 -0.078 -26.422 -8.046 1.00 75.22 O ATOM 176 CB GLU A 13 -1.137 -26.059 -4.947 1.00 72.20 C ATOM 177 CG GLU A 13 -2.456 -25.305 -4.928 1.00 73.34 C ATOM 178 CD GLU A 13 -3.505 -25.943 -5.819 1.00 12.21 C ATOM 179 OE1 GLU A 13 -3.123 -26.598 -6.811 1.00 34.23 O ATOM 180 OE2 GLU A 13 -4.708 -25.786 -5.523 1.00 54.11 O ATOM 0 H GLU A 13 -0.376 -23.731 -4.662 1.00 64.23 H new ATOM 0 HA GLU A 13 0.858 -25.965 -5.741 1.00 74.13 H new ATOM 0 HB2 GLU A 13 -1.319 -27.084 -5.271 1.00 72.20 H new ATOM 0 HB3 GLU A 13 -0.743 -26.111 -3.932 1.00 72.20 H new ATOM 0 HG2 GLU A 13 -2.831 -25.262 -3.905 1.00 73.34 H new ATOM 0 HG3 GLU A 13 -2.288 -24.277 -5.250 1.00 73.34 H new ATOM 187 N SER A 14 -1.404 -24.632 -7.731 1.00 55.32 N ATOM 188 CA SER A 14 -1.910 -24.628 -9.099 1.00 32.11 C ATOM 189 C SER A 14 -0.851 -24.112 -10.068 1.00 54.43 C ATOM 190 O SER A 14 -0.562 -24.744 -11.085 1.00 52.01 O ATOM 191 CB SER A 14 -3.171 -23.767 -9.197 1.00 20.03 C ATOM 192 OG SER A 14 -4.252 -24.364 -8.501 1.00 5.01 O ATOM 0 H SER A 14 -1.781 -23.891 -7.140 1.00 55.32 H new ATOM 0 HA SER A 14 -2.158 -25.654 -9.371 1.00 32.11 H new ATOM 0 HB2 SER A 14 -2.972 -22.777 -8.786 1.00 20.03 H new ATOM 0 HB3 SER A 14 -3.440 -23.629 -10.244 1.00 20.03 H new ATOM 0 HG SER A 14 -4.840 -24.820 -9.139 1.00 5.01 H new ATOM 198 N LEU A 15 -0.276 -22.958 -9.746 1.00 73.25 N ATOM 199 CA LEU A 15 0.751 -22.355 -10.588 1.00 3.42 C ATOM 200 C LEU A 15 1.822 -23.376 -10.957 1.00 22.21 C ATOM 201 O LEU A 15 2.268 -23.437 -12.103 1.00 14.12 O ATOM 202 CB LEU A 15 1.391 -21.165 -9.871 1.00 2.52 C ATOM 203 CG LEU A 15 0.521 -19.914 -9.737 1.00 32.51 C ATOM 204 CD1 LEU A 15 0.507 -19.425 -8.297 1.00 31.40 C ATOM 205 CD2 LEU A 15 1.015 -18.818 -10.670 1.00 32.33 C ATOM 0 H LEU A 15 -0.503 -22.422 -8.909 1.00 73.25 H new ATOM 0 HA LEU A 15 0.276 -22.007 -11.505 1.00 3.42 H new ATOM 0 HB2 LEU A 15 1.688 -21.485 -8.872 1.00 2.52 H new ATOM 0 HB3 LEU A 15 2.303 -20.894 -10.403 1.00 2.52 H new ATOM 0 HG LEU A 15 -0.499 -20.172 -10.021 1.00 32.51 H new ATOM 0 HD11 LEU A 15 -0.117 -18.534 -8.221 1.00 31.40 H new ATOM 0 HD12 LEU A 15 0.105 -20.206 -7.651 1.00 31.40 H new ATOM 0 HD13 LEU A 15 1.523 -19.184 -7.985 1.00 31.40 H new ATOM 0 HD21 LEU A 15 0.384 -17.936 -10.561 1.00 32.33 H new ATOM 0 HD22 LEU A 15 2.044 -18.562 -10.418 1.00 32.33 H new ATOM 0 HD23 LEU A 15 0.971 -19.170 -11.701 1.00 32.33 H new ATOM 217 N SER A 16 2.230 -24.179 -9.979 1.00 14.44 N ATOM 218 CA SER A 16 3.249 -25.197 -10.200 1.00 63.11 C ATOM 219 C SER A 16 2.905 -26.056 -11.413 1.00 72.10 C ATOM 220 O SER A 16 3.790 -26.490 -12.150 1.00 75.30 O ATOM 221 CB SER A 16 3.395 -26.081 -8.960 1.00 3.11 C ATOM 222 OG SER A 16 4.173 -25.438 -7.964 1.00 72.54 O ATOM 0 H SER A 16 1.870 -24.144 -9.025 1.00 14.44 H new ATOM 0 HA SER A 16 4.196 -24.692 -10.391 1.00 63.11 H new ATOM 0 HB2 SER A 16 2.409 -26.317 -8.560 1.00 3.11 H new ATOM 0 HB3 SER A 16 3.862 -27.027 -9.236 1.00 3.11 H new ATOM 0 HG SER A 16 3.625 -24.771 -7.501 1.00 72.54 H new ATOM 228 N GLN A 17 1.613 -26.296 -11.612 1.00 71.42 N ATOM 229 CA GLN A 17 1.151 -27.104 -12.735 1.00 11.01 C ATOM 230 C GLN A 17 1.162 -26.295 -14.028 1.00 72.40 C ATOM 231 O GLN A 17 1.516 -26.808 -15.089 1.00 72.51 O ATOM 232 CB GLN A 17 -0.258 -27.635 -12.463 1.00 42.42 C ATOM 233 CG GLN A 17 -0.443 -28.176 -11.055 1.00 1.12 C ATOM 234 CD GLN A 17 -1.062 -29.560 -11.038 1.00 11.50 C ATOM 235 OE1 GLN A 17 -2.041 -29.806 -10.333 1.00 53.51 O ATOM 236 NE2 GLN A 17 -0.493 -30.472 -11.817 1.00 32.54 N ATOM 0 H GLN A 17 0.868 -25.943 -11.011 1.00 71.42 H new ATOM 0 HA GLN A 17 1.833 -27.947 -12.849 1.00 11.01 H new ATOM 0 HB2 GLN A 17 -0.978 -26.835 -12.633 1.00 42.42 H new ATOM 0 HB3 GLN A 17 -0.484 -28.425 -13.179 1.00 42.42 H new ATOM 0 HG2 GLN A 17 0.524 -28.208 -10.552 1.00 1.12 H new ATOM 0 HG3 GLN A 17 -1.075 -27.493 -10.487 1.00 1.12 H new ATOM 0 HE21 GLN A 17 0.317 -30.224 -12.385 1.00 32.54 H new ATOM 0 HE22 GLN A 17 -0.866 -31.421 -11.848 1.00 32.54 H new ATOM 245 N MET A 18 0.771 -25.029 -13.931 1.00 43.34 N ATOM 246 CA MET A 18 0.737 -24.149 -15.094 1.00 63.10 C ATOM 247 C MET A 18 2.146 -23.877 -15.612 1.00 22.43 C ATOM 248 O MET A 18 2.446 -24.119 -16.782 1.00 21.24 O ATOM 249 CB MET A 18 0.047 -22.830 -14.742 1.00 43.21 C ATOM 250 CG MET A 18 -1.300 -23.011 -14.061 1.00 65.01 C ATOM 251 SD MET A 18 -2.682 -22.538 -15.118 1.00 45.31 S ATOM 252 CE MET A 18 -2.238 -23.363 -16.645 1.00 12.12 C ATOM 0 H MET A 18 0.473 -24.589 -13.060 1.00 43.34 H new ATOM 0 HA MET A 18 0.171 -24.649 -15.880 1.00 63.10 H new ATOM 0 HB2 MET A 18 0.700 -22.251 -14.089 1.00 43.21 H new ATOM 0 HB3 MET A 18 -0.091 -22.247 -15.653 1.00 43.21 H new ATOM 0 HG2 MET A 18 -1.415 -24.053 -13.764 1.00 65.01 H new ATOM 0 HG3 MET A 18 -1.325 -22.415 -13.149 1.00 65.01 H new ATOM 0 HE1 MET A 18 -2.596 -22.778 -17.492 1.00 12.12 H new ATOM 0 HE2 MET A 18 -1.154 -23.461 -16.704 1.00 12.12 H new ATOM 0 HE3 MET A 18 -2.694 -24.353 -16.670 1.00 12.12 H new ATOM 262 N LEU A 19 3.007 -23.373 -14.734 1.00 71.52 N ATOM 263 CA LEU A 19 4.385 -23.068 -15.103 1.00 20.50 C ATOM 264 C LEU A 19 5.074 -24.294 -15.695 1.00 42.30 C ATOM 265 O LEU A 19 5.845 -24.185 -16.649 1.00 12.43 O ATOM 266 CB LEU A 19 5.162 -22.572 -13.883 1.00 3.14 C ATOM 267 CG LEU A 19 4.521 -21.426 -13.099 1.00 41.02 C ATOM 268 CD1 LEU A 19 5.047 -21.395 -11.673 1.00 1.34 C ATOM 269 CD2 LEU A 19 4.778 -20.096 -13.793 1.00 74.34 C ATOM 0 H LEU A 19 2.775 -23.167 -13.762 1.00 71.52 H new ATOM 0 HA LEU A 19 4.368 -22.283 -15.859 1.00 20.50 H new ATOM 0 HB2 LEU A 19 5.309 -23.412 -13.204 1.00 3.14 H new ATOM 0 HB3 LEU A 19 6.151 -22.252 -14.212 1.00 3.14 H new ATOM 0 HG LEU A 19 3.444 -21.593 -13.064 1.00 41.02 H new ATOM 0 HD11 LEU A 19 4.580 -20.573 -11.131 1.00 1.34 H new ATOM 0 HD12 LEU A 19 4.812 -22.337 -11.178 1.00 1.34 H new ATOM 0 HD13 LEU A 19 6.128 -21.253 -11.687 1.00 1.34 H new ATOM 0 HD21 LEU A 19 4.315 -19.292 -13.221 1.00 74.34 H new ATOM 0 HD22 LEU A 19 5.852 -19.922 -13.860 1.00 74.34 H new ATOM 0 HD23 LEU A 19 4.352 -20.121 -14.796 1.00 74.34 H new ATOM 281 N SER A 20 4.790 -25.460 -15.124 1.00 53.12 N ATOM 282 CA SER A 20 5.383 -26.706 -15.594 1.00 63.14 C ATOM 283 C SER A 20 4.741 -27.154 -16.904 1.00 11.31 C ATOM 284 O SER A 20 5.381 -27.802 -17.732 1.00 14.51 O ATOM 285 CB SER A 20 5.228 -27.801 -14.537 1.00 0.52 C ATOM 286 OG SER A 20 6.165 -28.844 -14.741 1.00 74.15 O ATOM 0 H SER A 20 4.153 -25.568 -14.335 1.00 53.12 H new ATOM 0 HA SER A 20 6.444 -26.529 -15.771 1.00 63.14 H new ATOM 0 HB2 SER A 20 5.365 -27.374 -13.544 1.00 0.52 H new ATOM 0 HB3 SER A 20 4.216 -28.205 -14.573 1.00 0.52 H new ATOM 0 HG SER A 20 6.046 -29.530 -14.052 1.00 74.15 H new ATOM 292 N MET A 21 3.472 -26.803 -17.083 1.00 53.12 N ATOM 293 CA MET A 21 2.742 -27.167 -18.292 1.00 60.12 C ATOM 294 C MET A 21 3.133 -26.262 -19.456 1.00 60.44 C ATOM 295 O MET A 21 3.018 -26.647 -20.619 1.00 44.24 O ATOM 296 CB MET A 21 1.234 -27.082 -18.049 1.00 0.43 C ATOM 297 CG MET A 21 0.616 -28.394 -17.594 1.00 65.13 C ATOM 298 SD MET A 21 -1.179 -28.305 -17.454 1.00 60.35 S ATOM 299 CE MET A 21 -1.366 -26.863 -16.409 1.00 32.34 C ATOM 0 H MET A 21 2.928 -26.267 -16.407 1.00 53.12 H new ATOM 0 HA MET A 21 3.004 -28.194 -18.549 1.00 60.12 H new ATOM 0 HB2 MET A 21 1.038 -26.318 -17.297 1.00 0.43 H new ATOM 0 HB3 MET A 21 0.744 -26.758 -18.967 1.00 0.43 H new ATOM 0 HG2 MET A 21 0.883 -29.181 -18.300 1.00 65.13 H new ATOM 0 HG3 MET A 21 1.038 -28.675 -16.629 1.00 65.13 H new ATOM 0 HE1 MET A 21 -2.425 -26.678 -16.231 1.00 32.34 H new ATOM 0 HE2 MET A 21 -0.863 -27.035 -15.458 1.00 32.34 H new ATOM 0 HE3 MET A 21 -0.924 -25.997 -16.902 1.00 32.34 H new ATOM 309 N GLY A 22 3.595 -25.058 -19.135 1.00 41.21 N ATOM 310 CA GLY A 22 3.995 -24.118 -20.166 1.00 3.44 C ATOM 311 C GLY A 22 3.288 -22.783 -20.039 1.00 74.13 C ATOM 312 O GLY A 22 2.692 -22.295 -21.000 1.00 3.51 O ATOM 0 H GLY A 22 3.700 -24.716 -18.180 1.00 41.21 H new ATOM 0 HA2 GLY A 22 5.072 -23.962 -20.113 1.00 3.44 H new ATOM 0 HA3 GLY A 22 3.783 -24.546 -21.146 1.00 3.44 H new ATOM 316 N PHE A 23 3.350 -22.192 -18.851 1.00 4.12 N ATOM 317 CA PHE A 23 2.708 -20.907 -18.601 1.00 40.33 C ATOM 318 C PHE A 23 3.557 -20.046 -17.671 1.00 4.30 C ATOM 319 O PHE A 23 4.623 -20.465 -17.220 1.00 20.31 O ATOM 320 CB PHE A 23 1.319 -21.116 -17.995 1.00 21.15 C ATOM 321 CG PHE A 23 0.342 -21.755 -18.940 1.00 21.14 C ATOM 322 CD1 PHE A 23 0.232 -23.134 -19.016 1.00 22.15 C ATOM 323 CD2 PHE A 23 -0.466 -20.977 -19.752 1.00 40.45 C ATOM 324 CE1 PHE A 23 -0.666 -23.725 -19.884 1.00 31.41 C ATOM 325 CE2 PHE A 23 -1.366 -21.562 -20.622 1.00 73.13 C ATOM 326 CZ PHE A 23 -1.466 -22.938 -20.689 1.00 64.21 C ATOM 0 H PHE A 23 3.839 -22.583 -18.045 1.00 4.12 H new ATOM 0 HA PHE A 23 2.606 -20.389 -19.554 1.00 40.33 H new ATOM 0 HB2 PHE A 23 1.410 -21.737 -17.104 1.00 21.15 H new ATOM 0 HB3 PHE A 23 0.923 -20.153 -17.673 1.00 21.15 H new ATOM 0 HD1 PHE A 23 0.856 -23.754 -18.389 1.00 22.15 H new ATOM 0 HD2 PHE A 23 -0.392 -19.901 -19.705 1.00 40.45 H new ATOM 0 HE1 PHE A 23 -0.742 -24.801 -19.933 1.00 31.41 H new ATOM 0 HE2 PHE A 23 -1.991 -20.944 -21.249 1.00 73.13 H new ATOM 0 HZ PHE A 23 -2.168 -23.397 -21.369 1.00 64.21 H new ATOM 336 N SER A 24 3.077 -18.839 -17.389 1.00 3.21 N ATOM 337 CA SER A 24 3.794 -17.916 -16.516 1.00 54.02 C ATOM 338 C SER A 24 2.822 -16.997 -15.783 1.00 14.42 C ATOM 339 O SER A 24 1.610 -17.212 -15.806 1.00 14.54 O ATOM 340 CB SER A 24 4.789 -17.083 -17.326 1.00 54.24 C ATOM 341 OG SER A 24 4.984 -17.635 -18.617 1.00 3.13 O ATOM 0 H SER A 24 2.195 -18.477 -17.752 1.00 3.21 H new ATOM 0 HA SER A 24 4.340 -18.503 -15.777 1.00 54.02 H new ATOM 0 HB2 SER A 24 4.423 -16.060 -17.416 1.00 54.24 H new ATOM 0 HB3 SER A 24 5.742 -17.036 -16.799 1.00 54.24 H new ATOM 0 HG SER A 24 5.623 -17.084 -19.115 1.00 3.13 H new ATOM 347 N ASP A 25 3.363 -15.972 -15.133 1.00 55.01 N ATOM 348 CA ASP A 25 2.544 -15.018 -14.393 1.00 65.11 C ATOM 349 C ASP A 25 2.939 -13.584 -14.735 1.00 35.54 C ATOM 350 O ASP A 25 2.743 -12.670 -13.934 1.00 64.35 O ATOM 351 CB ASP A 25 2.684 -15.254 -12.888 1.00 52.23 C ATOM 352 CG ASP A 25 1.667 -14.469 -12.083 1.00 21.02 C ATOM 353 OD1 ASP A 25 0.590 -14.155 -12.631 1.00 51.44 O ATOM 354 OD2 ASP A 25 1.948 -14.170 -10.904 1.00 21.14 O ATOM 0 H ASP A 25 4.364 -15.780 -15.103 1.00 55.01 H new ATOM 0 HA ASP A 25 1.504 -15.168 -14.681 1.00 65.11 H new ATOM 0 HB2 ASP A 25 2.568 -16.317 -12.677 1.00 52.23 H new ATOM 0 HB3 ASP A 25 3.689 -14.974 -12.571 1.00 52.23 H new ATOM 359 N GLU A 26 3.495 -13.397 -15.927 1.00 72.14 N ATOM 360 CA GLU A 26 3.918 -12.075 -16.373 1.00 11.31 C ATOM 361 C GLU A 26 2.776 -11.070 -16.255 1.00 12.53 C ATOM 362 O GLU A 26 1.747 -11.201 -16.917 1.00 23.33 O ATOM 363 CB GLU A 26 4.412 -12.134 -17.820 1.00 2.52 C ATOM 364 CG GLU A 26 5.459 -13.208 -18.062 1.00 72.12 C ATOM 365 CD GLU A 26 6.709 -12.665 -18.726 1.00 63.32 C ATOM 366 OE1 GLU A 26 7.487 -11.966 -18.043 1.00 51.04 O ATOM 367 OE2 GLU A 26 6.910 -12.939 -19.928 1.00 23.33 O ATOM 0 H GLU A 26 3.663 -14.144 -16.601 1.00 72.14 H new ATOM 0 HA GLU A 26 4.735 -11.748 -15.731 1.00 11.31 H new ATOM 0 HB2 GLU A 26 3.562 -12.312 -18.478 1.00 2.52 H new ATOM 0 HB3 GLU A 26 4.828 -11.164 -18.093 1.00 2.52 H new ATOM 0 HG2 GLU A 26 5.728 -13.669 -17.111 1.00 72.12 H new ATOM 0 HG3 GLU A 26 5.032 -13.992 -18.687 1.00 72.12 H new ATOM 374 N GLY A 27 2.965 -10.064 -15.405 1.00 22.41 N ATOM 375 CA GLY A 27 1.943 -9.052 -15.214 1.00 43.10 C ATOM 376 C GLY A 27 1.013 -9.377 -14.062 1.00 43.30 C ATOM 377 O GLY A 27 0.566 -8.483 -13.345 1.00 2.32 O ATOM 0 H GLY A 27 3.808 -9.933 -14.846 1.00 22.41 H new ATOM 0 HA2 GLY A 27 2.420 -8.089 -15.031 1.00 43.10 H new ATOM 0 HA3 GLY A 27 1.360 -8.951 -16.130 1.00 43.10 H new ATOM 381 N GLY A 28 0.719 -10.661 -13.885 1.00 23.34 N ATOM 382 CA GLY A 28 -0.164 -11.079 -12.811 1.00 44.13 C ATOM 383 C GLY A 28 -1.474 -11.642 -13.324 1.00 70.15 C ATOM 384 O GLY A 28 -2.546 -11.276 -12.842 1.00 42.11 O ATOM 0 H GLY A 28 1.076 -11.420 -14.466 1.00 23.34 H new ATOM 0 HA2 GLY A 28 0.339 -11.832 -12.204 1.00 44.13 H new ATOM 0 HA3 GLY A 28 -0.368 -10.229 -12.160 1.00 44.13 H new ATOM 388 N TRP A 29 -1.389 -12.533 -14.306 1.00 11.13 N ATOM 389 CA TRP A 29 -2.578 -13.146 -14.886 1.00 34.20 C ATOM 390 C TRP A 29 -2.809 -14.539 -14.309 1.00 54.42 C ATOM 391 O TRP A 29 -3.915 -15.076 -14.382 1.00 14.12 O ATOM 392 CB TRP A 29 -2.445 -13.227 -16.408 1.00 11.34 C ATOM 393 CG TRP A 29 -1.522 -14.315 -16.866 1.00 41.43 C ATOM 394 CD1 TRP A 29 -0.166 -14.232 -17.012 1.00 75.01 C ATOM 395 CD2 TRP A 29 -1.887 -15.647 -17.241 1.00 32.33 C ATOM 396 NE1 TRP A 29 0.333 -15.433 -17.455 1.00 32.34 N ATOM 397 CE2 TRP A 29 -0.702 -16.318 -17.602 1.00 34.22 C ATOM 398 CE3 TRP A 29 -3.099 -16.340 -17.304 1.00 53.11 C ATOM 399 CZ2 TRP A 29 -0.697 -17.646 -18.021 1.00 33.04 C ATOM 400 CZ3 TRP A 29 -3.093 -17.658 -17.720 1.00 45.43 C ATOM 401 CH2 TRP A 29 -1.898 -18.300 -18.073 1.00 52.24 C ATOM 0 H TRP A 29 -0.510 -12.847 -14.717 1.00 11.13 H new ATOM 0 HA TRP A 29 -3.436 -12.522 -14.636 1.00 34.20 H new ATOM 0 HB2 TRP A 29 -3.431 -13.389 -16.844 1.00 11.34 H new ATOM 0 HB3 TRP A 29 -2.083 -12.271 -16.785 1.00 11.34 H new ATOM 0 HD1 TRP A 29 0.426 -13.352 -16.809 1.00 75.01 H new ATOM 0 HE1 TRP A 29 1.315 -15.633 -17.644 1.00 32.34 H new ATOM 0 HE3 TRP A 29 -4.024 -15.854 -17.032 1.00 53.11 H new ATOM 0 HZ2 TRP A 29 0.222 -18.142 -18.295 1.00 33.04 H new ATOM 0 HZ3 TRP A 29 -4.024 -18.202 -17.774 1.00 45.43 H new ATOM 0 HH2 TRP A 29 -1.926 -19.331 -18.392 1.00 52.24 H new ATOM 412 N LEU A 30 -1.760 -15.118 -13.736 1.00 74.44 N ATOM 413 CA LEU A 30 -1.849 -16.450 -13.146 1.00 54.53 C ATOM 414 C LEU A 30 -1.883 -16.369 -11.623 1.00 50.05 C ATOM 415 O LEU A 30 -1.930 -17.390 -10.937 1.00 61.52 O ATOM 416 CB LEU A 30 -0.667 -17.309 -13.597 1.00 1.20 C ATOM 417 CG LEU A 30 -0.839 -18.821 -13.444 1.00 41.52 C ATOM 418 CD1 LEU A 30 -1.968 -19.322 -14.331 1.00 52.40 C ATOM 419 CD2 LEU A 30 0.460 -19.541 -13.774 1.00 23.13 C ATOM 0 H LEU A 30 -0.838 -14.687 -13.667 1.00 74.44 H new ATOM 0 HA LEU A 30 -2.776 -16.911 -13.488 1.00 54.53 H new ATOM 0 HB2 LEU A 30 -0.464 -17.091 -14.646 1.00 1.20 H new ATOM 0 HB3 LEU A 30 0.214 -17.005 -13.032 1.00 1.20 H new ATOM 0 HG LEU A 30 -1.097 -19.035 -12.407 1.00 41.52 H new ATOM 0 HD11 LEU A 30 -2.076 -20.400 -14.209 1.00 52.40 H new ATOM 0 HD12 LEU A 30 -2.899 -18.830 -14.048 1.00 52.40 H new ATOM 0 HD13 LEU A 30 -1.740 -19.096 -15.373 1.00 52.40 H new ATOM 0 HD21 LEU A 30 0.319 -20.616 -13.660 1.00 23.13 H new ATOM 0 HD22 LEU A 30 0.748 -19.320 -14.802 1.00 23.13 H new ATOM 0 HD23 LEU A 30 1.245 -19.204 -13.097 1.00 23.13 H new ATOM 431 N THR A 31 -1.861 -15.147 -11.100 1.00 22.11 N ATOM 432 CA THR A 31 -1.890 -14.933 -9.659 1.00 2.43 C ATOM 433 C THR A 31 -3.320 -14.775 -9.155 1.00 21.22 C ATOM 434 O THR A 31 -3.596 -14.970 -7.971 1.00 61.20 O ATOM 435 CB THR A 31 -1.077 -13.686 -9.260 1.00 20.43 C ATOM 436 OG1 THR A 31 -1.145 -13.490 -7.843 1.00 11.00 O ATOM 437 CG2 THR A 31 -1.599 -12.449 -9.974 1.00 45.31 C ATOM 0 H THR A 31 -1.823 -14.291 -11.653 1.00 22.11 H new ATOM 0 HA THR A 31 -1.441 -15.814 -9.200 1.00 2.43 H new ATOM 0 HB THR A 31 -0.040 -13.845 -9.555 1.00 20.43 H new ATOM 0 HG1 THR A 31 -0.625 -12.697 -7.597 1.00 11.00 H new ATOM 0 HG21 THR A 31 -1.010 -11.581 -9.677 1.00 45.31 H new ATOM 0 HG22 THR A 31 -1.519 -12.590 -11.052 1.00 45.31 H new ATOM 0 HG23 THR A 31 -2.643 -12.288 -9.706 1.00 45.31 H new ATOM 445 N ARG A 32 -4.226 -14.422 -10.061 1.00 20.23 N ATOM 446 CA ARG A 32 -5.628 -14.238 -9.707 1.00 74.31 C ATOM 447 C ARG A 32 -6.515 -15.213 -10.476 1.00 72.31 C ATOM 448 O ARG A 32 -7.595 -15.584 -10.014 1.00 31.22 O ATOM 449 CB ARG A 32 -6.064 -12.800 -9.994 1.00 75.42 C ATOM 450 CG ARG A 32 -5.205 -11.754 -9.303 1.00 54.04 C ATOM 451 CD ARG A 32 -5.869 -11.236 -8.037 1.00 20.11 C ATOM 452 NE ARG A 32 -5.716 -9.791 -7.891 1.00 34.14 N ATOM 453 CZ ARG A 32 -6.442 -9.056 -7.055 1.00 24.44 C ATOM 454 NH1 ARG A 32 -7.364 -9.629 -6.294 1.00 13.44 N ATOM 455 NH2 ARG A 32 -6.244 -7.747 -6.978 1.00 40.52 N ATOM 0 H ARG A 32 -4.014 -14.258 -11.045 1.00 20.23 H new ATOM 0 HA ARG A 32 -5.737 -14.437 -8.641 1.00 74.31 H new ATOM 0 HB2 ARG A 32 -6.035 -12.628 -11.070 1.00 75.42 H new ATOM 0 HB3 ARG A 32 -7.100 -12.673 -9.679 1.00 75.42 H new ATOM 0 HG2 ARG A 32 -4.234 -12.184 -9.056 1.00 54.04 H new ATOM 0 HG3 ARG A 32 -5.022 -10.924 -9.985 1.00 54.04 H new ATOM 0 HD2 ARG A 32 -6.929 -11.488 -8.054 1.00 20.11 H new ATOM 0 HD3 ARG A 32 -5.437 -11.736 -7.170 1.00 20.11 H new ATOM 0 HE ARG A 32 -5.014 -9.320 -8.462 1.00 34.14 H new ATOM 0 HH11 ARG A 32 -7.517 -10.636 -6.349 1.00 13.44 H new ATOM 0 HH12 ARG A 32 -7.920 -9.063 -5.653 1.00 13.44 H new ATOM 0 HH21 ARG A 32 -5.534 -7.303 -7.561 1.00 40.52 H new ATOM 0 HH22 ARG A 32 -6.802 -7.184 -6.336 1.00 40.52 H new ATOM 469 N LEU A 33 -6.053 -15.624 -11.652 1.00 21.34 N ATOM 470 CA LEU A 33 -6.804 -16.556 -12.486 1.00 20.12 C ATOM 471 C LEU A 33 -7.223 -17.786 -11.687 1.00 31.01 C ATOM 472 O LEU A 33 -8.400 -18.150 -11.658 1.00 44.23 O ATOM 473 CB LEU A 33 -5.966 -16.980 -13.694 1.00 11.55 C ATOM 474 CG LEU A 33 -6.394 -18.273 -14.387 1.00 31.40 C ATOM 475 CD1 LEU A 33 -7.853 -18.195 -14.810 1.00 44.25 C ATOM 476 CD2 LEU A 33 -5.503 -18.555 -15.588 1.00 24.03 C ATOM 0 H LEU A 33 -5.162 -15.327 -12.049 1.00 21.34 H new ATOM 0 HA LEU A 33 -7.703 -16.049 -12.835 1.00 20.12 H new ATOM 0 HB2 LEU A 33 -5.988 -16.174 -14.427 1.00 11.55 H new ATOM 0 HB3 LEU A 33 -4.930 -17.090 -13.372 1.00 11.55 H new ATOM 0 HG LEU A 33 -6.286 -19.095 -13.679 1.00 31.40 H new ATOM 0 HD11 LEU A 33 -8.139 -19.125 -15.302 1.00 44.25 H new ATOM 0 HD12 LEU A 33 -8.479 -18.042 -13.931 1.00 44.25 H new ATOM 0 HD13 LEU A 33 -7.988 -17.363 -15.501 1.00 44.25 H new ATOM 0 HD21 LEU A 33 -5.823 -19.479 -16.069 1.00 24.03 H new ATOM 0 HD22 LEU A 33 -5.578 -17.732 -16.298 1.00 24.03 H new ATOM 0 HD23 LEU A 33 -4.469 -18.656 -15.258 1.00 24.03 H new ATOM 488 N LEU A 34 -6.254 -18.422 -11.037 1.00 51.55 N ATOM 489 CA LEU A 34 -6.522 -19.610 -10.235 1.00 74.02 C ATOM 490 C LEU A 34 -7.516 -19.301 -9.120 1.00 23.14 C ATOM 491 O LEU A 34 -8.462 -20.055 -8.893 1.00 3.34 O ATOM 492 CB LEU A 34 -5.222 -20.152 -9.640 1.00 4.11 C ATOM 493 CG LEU A 34 -4.294 -20.885 -10.609 1.00 72.44 C ATOM 494 CD1 LEU A 34 -5.054 -21.970 -11.357 1.00 43.04 C ATOM 495 CD2 LEU A 34 -3.661 -19.905 -11.586 1.00 25.31 C ATOM 0 H LEU A 34 -5.275 -18.134 -11.050 1.00 51.55 H new ATOM 0 HA LEU A 34 -6.959 -20.367 -10.886 1.00 74.02 H new ATOM 0 HB2 LEU A 34 -4.672 -19.319 -9.201 1.00 4.11 H new ATOM 0 HB3 LEU A 34 -5.474 -20.832 -8.826 1.00 4.11 H new ATOM 0 HG LEU A 34 -3.498 -21.358 -10.033 1.00 72.44 H new ATOM 0 HD11 LEU A 34 -4.378 -22.481 -12.042 1.00 43.04 H new ATOM 0 HD12 LEU A 34 -5.459 -22.688 -10.644 1.00 43.04 H new ATOM 0 HD13 LEU A 34 -5.870 -21.519 -11.922 1.00 43.04 H new ATOM 0 HD21 LEU A 34 -3.004 -20.444 -12.268 1.00 25.31 H new ATOM 0 HD22 LEU A 34 -4.443 -19.404 -12.156 1.00 25.31 H new ATOM 0 HD23 LEU A 34 -3.082 -19.164 -11.035 1.00 25.31 H new ATOM 507 N GLN A 35 -7.294 -18.188 -8.429 1.00 12.53 N ATOM 508 CA GLN A 35 -8.171 -17.779 -7.338 1.00 12.31 C ATOM 509 C GLN A 35 -9.617 -17.673 -7.812 1.00 61.41 C ATOM 510 O GLN A 35 -10.549 -17.991 -7.073 1.00 73.40 O ATOM 511 CB GLN A 35 -7.712 -16.438 -6.761 1.00 71.33 C ATOM 512 CG GLN A 35 -6.423 -16.530 -5.960 1.00 53.14 C ATOM 513 CD GLN A 35 -5.921 -15.174 -5.506 1.00 42.33 C ATOM 514 OE1 GLN A 35 -6.018 -14.187 -6.236 1.00 10.40 O ATOM 515 NE2 GLN A 35 -5.379 -15.118 -4.295 1.00 54.21 N ATOM 0 H GLN A 35 -6.515 -17.554 -8.605 1.00 12.53 H new ATOM 0 HA GLN A 35 -8.118 -18.539 -6.559 1.00 12.31 H new ATOM 0 HB2 GLN A 35 -7.573 -15.729 -7.577 1.00 71.33 H new ATOM 0 HB3 GLN A 35 -8.499 -16.038 -6.122 1.00 71.33 H new ATOM 0 HG2 GLN A 35 -6.586 -17.164 -5.088 1.00 53.14 H new ATOM 0 HG3 GLN A 35 -5.657 -17.013 -6.566 1.00 53.14 H new ATOM 0 HE21 GLN A 35 -5.319 -15.961 -3.724 1.00 54.21 H new ATOM 0 HE22 GLN A 35 -5.023 -14.232 -3.936 1.00 54.21 H new ATOM 524 N THR A 36 -9.797 -17.224 -9.050 1.00 73.24 N ATOM 525 CA THR A 36 -11.129 -17.075 -9.623 1.00 32.31 C ATOM 526 C THR A 36 -11.670 -18.414 -10.112 1.00 12.10 C ATOM 527 O THR A 36 -12.844 -18.530 -10.464 1.00 53.30 O ATOM 528 CB THR A 36 -11.128 -16.076 -10.795 1.00 13.31 C ATOM 529 OG1 THR A 36 -10.508 -16.667 -11.942 1.00 40.43 O ATOM 530 CG2 THR A 36 -10.394 -14.799 -10.416 1.00 44.53 C ATOM 0 H THR A 36 -9.037 -16.957 -9.675 1.00 73.24 H new ATOM 0 HA THR A 36 -11.773 -16.693 -8.831 1.00 32.31 H new ATOM 0 HB THR A 36 -12.162 -15.825 -11.031 1.00 13.31 H new ATOM 0 HG1 THR A 36 -9.843 -17.326 -11.651 1.00 40.43 H new ATOM 0 HG21 THR A 36 -10.406 -14.108 -11.259 1.00 44.53 H new ATOM 0 HG22 THR A 36 -10.887 -14.336 -9.561 1.00 44.53 H new ATOM 0 HG23 THR A 36 -9.362 -15.036 -10.156 1.00 44.53 H new ATOM 538 N LYS A 37 -10.807 -19.424 -10.131 1.00 74.12 N ATOM 539 CA LYS A 37 -11.198 -20.757 -10.575 1.00 55.32 C ATOM 540 C LYS A 37 -11.098 -21.762 -9.433 1.00 31.23 C ATOM 541 O LYS A 37 -11.155 -22.971 -9.651 1.00 72.51 O ATOM 542 CB LYS A 37 -10.318 -21.206 -11.743 1.00 60.33 C ATOM 543 CG LYS A 37 -10.433 -20.317 -12.969 1.00 41.02 C ATOM 544 CD LYS A 37 -11.875 -20.183 -13.428 1.00 34.03 C ATOM 545 CE LYS A 37 -11.960 -19.827 -14.904 1.00 13.11 C ATOM 546 NZ LYS A 37 -13.229 -20.307 -15.518 1.00 61.13 N ATOM 0 H LYS A 37 -9.831 -19.345 -9.844 1.00 74.12 H new ATOM 0 HA LYS A 37 -12.236 -20.713 -10.906 1.00 55.32 H new ATOM 0 HB2 LYS A 37 -9.278 -21.227 -11.416 1.00 60.33 H new ATOM 0 HB3 LYS A 37 -10.586 -22.226 -12.018 1.00 60.33 H new ATOM 0 HG2 LYS A 37 -10.029 -19.330 -12.743 1.00 41.02 H new ATOM 0 HG3 LYS A 37 -9.830 -20.731 -13.777 1.00 41.02 H new ATOM 0 HD2 LYS A 37 -12.404 -21.119 -13.248 1.00 34.03 H new ATOM 0 HD3 LYS A 37 -12.376 -19.415 -12.838 1.00 34.03 H new ATOM 0 HE2 LYS A 37 -11.886 -18.746 -15.022 1.00 13.11 H new ATOM 0 HE3 LYS A 37 -11.113 -20.264 -15.432 1.00 13.11 H new ATOM 0 HZ1 LYS A 37 -13.249 -20.045 -16.524 1.00 61.13 H new ATOM 0 HZ2 LYS A 37 -13.288 -21.341 -15.428 1.00 61.13 H new ATOM 0 HZ3 LYS A 37 -14.037 -19.870 -15.031 1.00 61.13 H new ATOM 560 N ASN A 38 -10.949 -21.253 -8.214 1.00 35.31 N ATOM 561 CA ASN A 38 -10.842 -22.108 -7.037 1.00 12.32 C ATOM 562 C ASN A 38 -9.604 -22.995 -7.120 1.00 31.22 C ATOM 563 O ASN A 38 -9.659 -24.185 -6.809 1.00 64.40 O ATOM 564 CB ASN A 38 -12.095 -22.974 -6.893 1.00 55.54 C ATOM 565 CG ASN A 38 -13.369 -22.196 -7.164 1.00 72.45 C ATOM 566 OD1 ASN A 38 -14.194 -22.601 -7.984 1.00 32.45 O ATOM 567 ND2 ASN A 38 -13.535 -21.073 -6.476 1.00 24.11 N ATOM 0 H ASN A 38 -10.900 -20.254 -8.016 1.00 35.31 H new ATOM 0 HA ASN A 38 -10.750 -21.467 -6.161 1.00 12.32 H new ATOM 0 HB2 ASN A 38 -12.033 -23.816 -7.582 1.00 55.54 H new ATOM 0 HB3 ASN A 38 -12.133 -23.389 -5.886 1.00 55.54 H new ATOM 0 HD21 ASN A 38 -14.372 -20.508 -6.617 1.00 24.11 H new ATOM 0 HD22 ASN A 38 -12.825 -20.775 -5.807 1.00 24.11 H new ATOM 574 N TYR A 39 -8.489 -22.408 -7.540 1.00 73.03 N ATOM 575 CA TYR A 39 -7.238 -23.145 -7.666 1.00 63.31 C ATOM 576 C TYR A 39 -7.428 -24.403 -8.508 1.00 55.03 C ATOM 577 O TYR A 39 -7.177 -25.516 -8.047 1.00 62.54 O ATOM 578 CB TYR A 39 -6.701 -23.520 -6.284 1.00 32.34 C ATOM 579 CG TYR A 39 -6.845 -22.418 -5.259 1.00 10.02 C ATOM 580 CD1 TYR A 39 -6.285 -21.165 -5.474 1.00 3.02 C ATOM 581 CD2 TYR A 39 -7.542 -22.629 -4.076 1.00 34.54 C ATOM 582 CE1 TYR A 39 -6.413 -20.155 -4.540 1.00 30.33 C ATOM 583 CE2 TYR A 39 -7.677 -21.625 -3.137 1.00 30.14 C ATOM 584 CZ TYR A 39 -7.110 -20.390 -3.373 1.00 32.10 C ATOM 585 OH TYR A 39 -7.241 -19.387 -2.441 1.00 15.53 O ATOM 0 H TYR A 39 -8.426 -21.423 -7.799 1.00 73.03 H new ATOM 0 HA TYR A 39 -6.516 -22.500 -8.167 1.00 63.31 H new ATOM 0 HB2 TYR A 39 -7.226 -24.407 -5.928 1.00 32.34 H new ATOM 0 HB3 TYR A 39 -5.648 -23.787 -6.373 1.00 32.34 H new ATOM 0 HD1 TYR A 39 -5.740 -20.977 -6.387 1.00 3.02 H new ATOM 0 HD2 TYR A 39 -7.986 -23.595 -3.887 1.00 34.54 H new ATOM 0 HE1 TYR A 39 -5.970 -19.187 -4.722 1.00 30.33 H new ATOM 0 HE2 TYR A 39 -8.223 -21.806 -2.223 1.00 30.14 H new ATOM 0 HH TYR A 39 -7.761 -19.715 -1.678 1.00 15.53 H new ATOM 595 N ASP A 40 -7.874 -24.216 -9.746 1.00 34.24 N ATOM 596 CA ASP A 40 -8.098 -25.334 -10.655 1.00 20.33 C ATOM 597 C ASP A 40 -7.061 -25.341 -11.773 1.00 64.12 C ATOM 598 O ASP A 40 -6.569 -24.289 -12.183 1.00 24.21 O ATOM 599 CB ASP A 40 -9.506 -25.263 -11.248 1.00 63.14 C ATOM 600 CG ASP A 40 -10.445 -26.282 -10.634 1.00 73.23 C ATOM 601 OD1 ASP A 40 -10.724 -26.176 -9.422 1.00 33.31 O ATOM 602 OD2 ASP A 40 -10.901 -27.186 -11.366 1.00 21.21 O ATOM 0 H ASP A 40 -8.087 -23.301 -10.143 1.00 34.24 H new ATOM 0 HA ASP A 40 -7.999 -26.258 -10.086 1.00 20.33 H new ATOM 0 HB2 ASP A 40 -9.911 -24.262 -11.096 1.00 63.14 H new ATOM 0 HB3 ASP A 40 -9.452 -25.425 -12.325 1.00 63.14 H new ATOM 607 N ILE A 41 -6.732 -26.532 -12.262 1.00 35.43 N ATOM 608 CA ILE A 41 -5.754 -26.675 -13.332 1.00 62.33 C ATOM 609 C ILE A 41 -6.439 -26.861 -14.682 1.00 63.00 C ATOM 610 O ILE A 41 -5.917 -26.448 -15.717 1.00 13.43 O ATOM 611 CB ILE A 41 -4.812 -27.867 -13.079 1.00 31.31 C ATOM 612 CG1 ILE A 41 -4.452 -27.954 -11.594 1.00 74.42 C ATOM 613 CG2 ILE A 41 -3.556 -27.739 -13.927 1.00 64.32 C ATOM 614 CD1 ILE A 41 -3.795 -26.703 -11.057 1.00 45.43 C ATOM 0 H ILE A 41 -7.129 -27.412 -11.933 1.00 35.43 H new ATOM 0 HA ILE A 41 -5.168 -25.756 -13.348 1.00 62.33 H new ATOM 0 HB ILE A 41 -5.327 -28.785 -13.364 1.00 31.31 H new ATOM 0 HG12 ILE A 41 -5.357 -28.154 -11.020 1.00 74.42 H new ATOM 0 HG13 ILE A 41 -3.783 -28.801 -11.440 1.00 74.42 H new ATOM 0 HG21 ILE A 41 -2.900 -28.589 -13.737 1.00 64.32 H new ATOM 0 HG22 ILE A 41 -3.830 -27.721 -14.982 1.00 64.32 H new ATOM 0 HG23 ILE A 41 -3.037 -26.816 -13.671 1.00 64.32 H new ATOM 0 HD11 ILE A 41 -3.568 -26.837 -9.999 1.00 45.43 H new ATOM 0 HD12 ILE A 41 -2.872 -26.513 -11.605 1.00 45.43 H new ATOM 0 HD13 ILE A 41 -4.470 -25.856 -11.179 1.00 45.43 H new ATOM 626 N GLY A 42 -7.613 -27.485 -14.663 1.00 63.00 N ATOM 627 CA GLY A 42 -8.351 -27.713 -15.891 1.00 75.21 C ATOM 628 C GLY A 42 -9.170 -26.508 -16.308 1.00 14.44 C ATOM 629 O GLY A 42 -9.562 -26.386 -17.468 1.00 11.32 O ATOM 0 H GLY A 42 -8.066 -27.836 -13.819 1.00 63.00 H new ATOM 0 HA2 GLY A 42 -7.653 -27.968 -16.689 1.00 75.21 H new ATOM 0 HA3 GLY A 42 -9.012 -28.570 -15.760 1.00 75.21 H new ATOM 633 N ALA A 43 -9.431 -25.615 -15.358 1.00 54.13 N ATOM 634 CA ALA A 43 -10.209 -24.413 -15.633 1.00 2.12 C ATOM 635 C ALA A 43 -9.302 -23.249 -16.018 1.00 13.21 C ATOM 636 O ALA A 43 -9.714 -22.342 -16.741 1.00 63.44 O ATOM 637 CB ALA A 43 -11.058 -24.046 -14.425 1.00 22.03 C ATOM 0 H ALA A 43 -9.115 -25.701 -14.392 1.00 54.13 H new ATOM 0 HA ALA A 43 -10.868 -24.621 -16.476 1.00 2.12 H new ATOM 0 HB1 ALA A 43 -11.634 -23.147 -14.644 1.00 22.03 H new ATOM 0 HB2 ALA A 43 -11.739 -24.866 -14.196 1.00 22.03 H new ATOM 0 HB3 ALA A 43 -10.411 -23.862 -13.568 1.00 22.03 H new ATOM 643 N ALA A 44 -8.067 -23.280 -15.529 1.00 1.01 N ATOM 644 CA ALA A 44 -7.102 -22.228 -15.823 1.00 40.12 C ATOM 645 C ALA A 44 -6.391 -22.489 -17.147 1.00 35.31 C ATOM 646 O ALA A 44 -5.778 -21.589 -17.722 1.00 62.43 O ATOM 647 CB ALA A 44 -6.090 -22.109 -14.693 1.00 50.33 C ATOM 0 H ALA A 44 -7.711 -24.023 -14.927 1.00 1.01 H new ATOM 0 HA ALA A 44 -7.644 -21.287 -15.911 1.00 40.12 H new ATOM 0 HB1 ALA A 44 -5.375 -21.320 -14.926 1.00 50.33 H new ATOM 0 HB2 ALA A 44 -6.608 -21.867 -13.765 1.00 50.33 H new ATOM 0 HB3 ALA A 44 -5.561 -23.055 -14.577 1.00 50.33 H new ATOM 653 N LEU A 45 -6.477 -23.726 -17.625 1.00 14.31 N ATOM 654 CA LEU A 45 -5.842 -24.106 -18.882 1.00 23.03 C ATOM 655 C LEU A 45 -6.655 -23.614 -20.074 1.00 52.33 C ATOM 656 O LEU A 45 -6.155 -23.555 -21.198 1.00 33.42 O ATOM 657 CB LEU A 45 -5.678 -25.625 -18.954 1.00 22.22 C ATOM 658 CG LEU A 45 -4.447 -26.202 -18.253 1.00 0.50 C ATOM 659 CD1 LEU A 45 -4.583 -27.707 -18.087 1.00 34.02 C ATOM 660 CD2 LEU A 45 -3.183 -25.861 -19.029 1.00 71.11 C ATOM 0 H LEU A 45 -6.980 -24.482 -17.161 1.00 14.31 H new ATOM 0 HA LEU A 45 -4.858 -23.638 -18.919 1.00 23.03 H new ATOM 0 HB2 LEU A 45 -6.566 -26.087 -18.523 1.00 22.22 H new ATOM 0 HB3 LEU A 45 -5.644 -25.917 -20.004 1.00 22.22 H new ATOM 0 HG LEU A 45 -4.374 -25.754 -17.262 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -3.698 -28.099 -17.586 1.00 34.02 H new ATOM 0 HD12 LEU A 45 -5.467 -27.929 -17.488 1.00 34.02 H new ATOM 0 HD13 LEU A 45 -4.682 -28.174 -19.067 1.00 34.02 H new ATOM 0 HD21 LEU A 45 -2.317 -26.279 -18.516 1.00 71.11 H new ATOM 0 HD22 LEU A 45 -3.248 -26.281 -20.033 1.00 71.11 H new ATOM 0 HD23 LEU A 45 -3.078 -24.778 -19.095 1.00 71.11 H new ATOM 672 N ASP A 46 -7.910 -23.259 -19.822 1.00 11.24 N ATOM 673 CA ASP A 46 -8.793 -22.768 -20.874 1.00 5.22 C ATOM 674 C ASP A 46 -9.102 -21.287 -20.677 1.00 24.02 C ATOM 675 O ASP A 46 -10.101 -20.777 -21.184 1.00 14.02 O ATOM 676 CB ASP A 46 -10.092 -23.574 -20.897 1.00 20.25 C ATOM 677 CG ASP A 46 -10.436 -24.079 -22.284 1.00 63.20 C ATOM 678 OD1 ASP A 46 -9.547 -24.662 -22.941 1.00 11.32 O ATOM 679 OD2 ASP A 46 -11.593 -23.893 -22.713 1.00 14.11 O ATOM 0 H ASP A 46 -8.339 -23.302 -18.898 1.00 11.24 H new ATOM 0 HA ASP A 46 -8.282 -22.890 -21.829 1.00 5.22 H new ATOM 0 HB2 ASP A 46 -10.002 -24.421 -20.217 1.00 20.25 H new ATOM 0 HB3 ASP A 46 -10.908 -22.953 -20.527 1.00 20.25 H new ATOM 684 N THR A 47 -8.237 -20.601 -19.936 1.00 12.43 N ATOM 685 CA THR A 47 -8.419 -19.179 -19.669 1.00 64.34 C ATOM 686 C THR A 47 -7.341 -18.349 -20.358 1.00 33.12 C ATOM 687 O THR A 47 -7.128 -17.185 -20.016 1.00 33.52 O ATOM 688 CB THR A 47 -8.392 -18.883 -18.158 1.00 43.11 C ATOM 689 OG1 THR A 47 -9.098 -19.905 -17.446 1.00 24.02 O ATOM 690 CG2 THR A 47 -9.016 -17.528 -17.861 1.00 44.42 C ATOM 0 H THR A 47 -7.404 -21.007 -19.510 1.00 12.43 H new ATOM 0 HA THR A 47 -9.396 -18.904 -20.067 1.00 64.34 H new ATOM 0 HB THR A 47 -7.352 -18.866 -17.832 1.00 43.11 H new ATOM 0 HG1 THR A 47 -8.687 -20.775 -17.630 1.00 24.02 H new ATOM 0 HG21 THR A 47 -8.986 -17.341 -16.788 1.00 44.42 H new ATOM 0 HG22 THR A 47 -8.459 -16.749 -18.381 1.00 44.42 H new ATOM 0 HG23 THR A 47 -10.052 -17.522 -18.201 1.00 44.42 H new ATOM 698 N ILE A 48 -6.665 -18.954 -21.329 1.00 15.40 N ATOM 699 CA ILE A 48 -5.611 -18.268 -22.066 1.00 73.33 C ATOM 700 C ILE A 48 -5.937 -18.200 -23.555 1.00 2.45 C ATOM 701 O ILE A 48 -5.557 -17.250 -24.239 1.00 53.10 O ATOM 702 CB ILE A 48 -4.250 -18.966 -21.882 1.00 15.54 C ATOM 703 CG1 ILE A 48 -4.204 -19.693 -20.537 1.00 32.44 C ATOM 704 CG2 ILE A 48 -3.119 -17.953 -21.982 1.00 20.54 C ATOM 705 CD1 ILE A 48 -4.703 -21.120 -20.604 1.00 13.31 C ATOM 0 H ILE A 48 -6.828 -19.917 -21.623 1.00 15.40 H new ATOM 0 HA ILE A 48 -5.550 -17.257 -21.663 1.00 73.33 H new ATOM 0 HB ILE A 48 -4.124 -19.702 -22.676 1.00 15.54 H new ATOM 0 HG12 ILE A 48 -3.179 -19.692 -20.168 1.00 32.44 H new ATOM 0 HG13 ILE A 48 -4.804 -19.140 -19.814 1.00 32.44 H new ATOM 0 HG21 ILE A 48 -2.163 -18.460 -21.850 1.00 20.54 H new ATOM 0 HG22 ILE A 48 -3.144 -17.475 -22.961 1.00 20.54 H new ATOM 0 HG23 ILE A 48 -3.238 -17.197 -21.206 1.00 20.54 H new ATOM 0 HD11 ILE A 48 -4.642 -21.574 -19.615 1.00 13.31 H new ATOM 0 HD12 ILE A 48 -5.739 -21.128 -20.943 1.00 13.31 H new ATOM 0 HD13 ILE A 48 -4.088 -21.688 -21.302 1.00 13.31 H new ATOM 717 N GLN A 49 -6.643 -19.212 -24.047 1.00 52.35 N ATOM 718 CA GLN A 49 -7.021 -19.265 -25.455 1.00 21.12 C ATOM 719 C GLN A 49 -7.689 -17.965 -25.889 1.00 1.41 C ATOM 720 O GLN A 49 -7.336 -17.387 -26.918 1.00 34.33 O ATOM 721 CB GLN A 49 -7.961 -20.445 -25.708 1.00 14.41 C ATOM 722 CG GLN A 49 -7.407 -21.778 -25.233 1.00 1.25 C ATOM 723 CD GLN A 49 -7.373 -22.821 -26.332 1.00 32.22 C ATOM 724 OE1 GLN A 49 -6.457 -22.844 -27.154 1.00 22.11 O ATOM 725 NE2 GLN A 49 -8.375 -23.693 -26.352 1.00 41.41 N ATOM 0 H GLN A 49 -6.965 -20.006 -23.493 1.00 52.35 H new ATOM 0 HA GLN A 49 -6.114 -19.399 -26.044 1.00 21.12 H new ATOM 0 HB2 GLN A 49 -8.910 -20.256 -25.207 1.00 14.41 H new ATOM 0 HB3 GLN A 49 -8.172 -20.508 -26.776 1.00 14.41 H new ATOM 0 HG2 GLN A 49 -6.399 -21.631 -24.846 1.00 1.25 H new ATOM 0 HG3 GLN A 49 -8.015 -22.146 -24.407 1.00 1.25 H new ATOM 0 HE21 GLN A 49 -9.114 -23.637 -25.651 1.00 41.41 H new ATOM 0 HE22 GLN A 49 -8.406 -24.418 -27.068 1.00 41.41 H new ATOM 734 N TYR A 50 -8.655 -17.509 -25.099 1.00 23.22 N ATOM 735 CA TYR A 50 -9.374 -16.278 -25.403 1.00 72.00 C ATOM 736 C TYR A 50 -9.891 -15.620 -24.127 1.00 50.35 C ATOM 737 O TYR A 50 -9.811 -14.402 -23.968 1.00 13.31 O ATOM 738 CB TYR A 50 -10.540 -16.565 -26.351 1.00 11.23 C ATOM 739 CG TYR A 50 -11.483 -17.633 -25.844 1.00 53.35 C ATOM 740 CD1 TYR A 50 -11.193 -18.981 -26.014 1.00 42.15 C ATOM 741 CD2 TYR A 50 -12.665 -17.294 -25.197 1.00 40.12 C ATOM 742 CE1 TYR A 50 -12.052 -19.960 -25.554 1.00 62.23 C ATOM 743 CE2 TYR A 50 -13.529 -18.266 -24.733 1.00 30.35 C ATOM 744 CZ TYR A 50 -13.218 -19.598 -24.914 1.00 12.14 C ATOM 745 OH TYR A 50 -14.077 -20.570 -24.453 1.00 51.43 O ATOM 0 H TYR A 50 -8.958 -17.974 -24.243 1.00 23.22 H new ATOM 0 HA TYR A 50 -8.680 -15.592 -25.888 1.00 72.00 H new ATOM 0 HB2 TYR A 50 -11.101 -15.644 -26.513 1.00 11.23 H new ATOM 0 HB3 TYR A 50 -10.144 -16.872 -27.319 1.00 11.23 H new ATOM 0 HD1 TYR A 50 -10.280 -19.268 -26.514 1.00 42.15 H new ATOM 0 HD2 TYR A 50 -12.912 -16.252 -25.055 1.00 40.12 H new ATOM 0 HE1 TYR A 50 -11.811 -21.003 -25.695 1.00 62.23 H new ATOM 0 HE2 TYR A 50 -14.443 -17.985 -24.231 1.00 30.35 H new ATOM 0 HH TYR A 50 -14.851 -20.147 -24.026 1.00 51.43 H new ATOM 755 N SER A 51 -10.421 -16.435 -23.221 1.00 64.23 N ATOM 756 CA SER A 51 -10.954 -15.933 -21.960 1.00 60.42 C ATOM 757 C SER A 51 -9.857 -15.273 -21.131 1.00 22.33 C ATOM 758 O SER A 51 -8.686 -15.278 -21.512 1.00 11.53 O ATOM 759 CB SER A 51 -11.596 -17.072 -21.165 1.00 3.34 C ATOM 760 OG SER A 51 -11.652 -18.262 -21.932 1.00 12.30 O ATOM 0 H SER A 51 -10.493 -17.446 -23.337 1.00 64.23 H new ATOM 0 HA SER A 51 -11.713 -15.184 -22.186 1.00 60.42 H new ATOM 0 HB2 SER A 51 -11.025 -17.250 -20.253 1.00 3.34 H new ATOM 0 HB3 SER A 51 -12.602 -16.785 -20.860 1.00 3.34 H new ATOM 0 HG SER A 51 -12.204 -18.113 -22.728 1.00 12.30 H new ATOM 766 N LYS A 52 -10.244 -14.706 -19.993 1.00 53.03 N ATOM 767 CA LYS A 52 -9.296 -14.042 -19.107 1.00 22.10 C ATOM 768 C LYS A 52 -9.621 -14.334 -17.646 1.00 12.45 C ATOM 769 O LYS A 52 -8.765 -14.790 -16.888 1.00 23.25 O ATOM 770 CB LYS A 52 -9.309 -12.532 -19.352 1.00 3.41 C ATOM 771 CG LYS A 52 -8.675 -12.124 -20.670 1.00 44.25 C ATOM 772 CD LYS A 52 -7.584 -11.085 -20.467 1.00 54.13 C ATOM 773 CE LYS A 52 -8.152 -9.674 -20.467 1.00 13.13 C ATOM 774 NZ LYS A 52 -8.297 -9.134 -21.847 1.00 1.42 N ATOM 0 H LYS A 52 -11.209 -14.693 -19.663 1.00 53.03 H new ATOM 0 HA LYS A 52 -8.301 -14.430 -19.324 1.00 22.10 H new ATOM 0 HB2 LYS A 52 -10.340 -12.178 -19.329 1.00 3.41 H new ATOM 0 HB3 LYS A 52 -8.783 -12.036 -18.536 1.00 3.41 H new ATOM 0 HG2 LYS A 52 -8.255 -13.002 -21.160 1.00 44.25 H new ATOM 0 HG3 LYS A 52 -9.441 -11.724 -21.334 1.00 44.25 H new ATOM 0 HD2 LYS A 52 -7.072 -11.273 -19.523 1.00 54.13 H new ATOM 0 HD3 LYS A 52 -6.839 -11.179 -21.257 1.00 54.13 H new ATOM 0 HE2 LYS A 52 -9.124 -9.674 -19.973 1.00 13.13 H new ATOM 0 HE3 LYS A 52 -7.500 -9.020 -19.888 1.00 13.13 H new ATOM 0 HZ1 LYS A 52 -8.687 -8.171 -21.804 1.00 1.42 H new ATOM 0 HZ2 LYS A 52 -7.366 -9.110 -22.310 1.00 1.42 H new ATOM 0 HZ3 LYS A 52 -8.939 -9.743 -22.393 1.00 1.42 H new ATOM 788 N HIS A 53 -10.864 -14.068 -17.256 1.00 72.23 N ATOM 789 CA HIS A 53 -11.303 -14.304 -15.885 1.00 61.44 C ATOM 790 C HIS A 53 -12.523 -15.220 -15.856 1.00 11.14 C ATOM 791 O HIS A 53 -13.464 -14.991 -15.095 1.00 20.13 O ATOM 792 CB HIS A 53 -11.628 -12.979 -15.196 1.00 54.13 C ATOM 793 CG HIS A 53 -12.581 -12.120 -15.970 1.00 1.15 C ATOM 794 ND1 HIS A 53 -12.523 -10.742 -15.968 1.00 30.20 N ATOM 795 CD2 HIS A 53 -13.618 -12.450 -16.774 1.00 33.43 C ATOM 796 CE1 HIS A 53 -13.485 -10.262 -16.736 1.00 63.43 C ATOM 797 NE2 HIS A 53 -14.164 -11.279 -17.238 1.00 5.45 N ATOM 0 H HIS A 53 -11.585 -13.689 -17.870 1.00 72.23 H new ATOM 0 HA HIS A 53 -10.490 -14.793 -15.348 1.00 61.44 H new ATOM 0 HB2 HIS A 53 -12.053 -13.184 -14.213 1.00 54.13 H new ATOM 0 HB3 HIS A 53 -10.703 -12.426 -15.034 1.00 54.13 H new ATOM 0 HD2 HIS A 53 -13.954 -13.450 -17.007 1.00 33.43 H new ATOM 0 HE1 HIS A 53 -13.683 -9.217 -16.922 1.00 63.43 H new ATOM 0 HE2 HIS A 53 -14.963 -11.206 -17.867 1.00 5.45 H new TER 805 HIS A 53