USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 71 TYR OH : rot 180:sc= -1.4 USER MOD Set 1.2: A 77 MET CE :methyl 161:sc= -7.56! (180deg=-9.23!) USER MOD Set 1.3: A 89 ASN : amide:sc= -1.33 K(o=-10,f=-13!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.018 USER MOD Single : A 10 ASN : amide:sc= -0.0848 X(o=-0.085,f=-0.49) USER MOD Single : A 11 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.29) USER MOD Single : A 15 GLN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -156:sc= -7.95! (180deg=-8.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.967 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 171:sc= -1.02 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0963 K(o=-0.096,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -3.16! C(o=-3.2!,f=-7.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 54 THR OG1 : rot 39:sc= 1.11 USER MOD Single : A 57 GLN : amide:sc= -0.0859 K(o=-0.086,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.18) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= -0.0868 (180deg=-0.87) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 134:sc= 0.0802 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 -11.905 -12.692 -6.365 1.00 0.00 N ATOM 19 CA ASP A 2 -12.998 -12.310 -5.487 1.00 0.00 C ATOM 20 C ASP A 2 -12.432 -11.883 -4.132 1.00 0.00 C ATOM 21 O ASP A 2 -11.515 -12.515 -3.610 1.00 0.00 O ATOM 22 CB ASP A 2 -13.954 -13.481 -5.253 1.00 0.00 C ATOM 23 CG ASP A 2 -15.274 -13.403 -6.021 1.00 0.00 C ATOM 24 OD1 ASP A 2 -16.254 -12.807 -5.549 1.00 0.00 O ATOM 25 OD2 ASP A 2 -15.273 -13.995 -7.168 1.00 0.00 O ATOM 0 HA ASP A 2 -13.541 -11.492 -5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.446 -14.405 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.174 -13.543 -4.187 1.00 0.00 H new ATOM 31 N ILE A 3 -13.003 -10.811 -3.599 1.00 0.00 N ATOM 32 CA ILE A 3 -12.566 -10.293 -2.313 1.00 0.00 C ATOM 33 C ILE A 3 -13.679 -10.494 -1.283 1.00 0.00 C ATOM 34 O ILE A 3 -14.860 -10.465 -1.625 1.00 0.00 O ATOM 35 CB ILE A 3 -12.110 -8.839 -2.449 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.592 -8.754 -2.625 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.598 -7.998 -1.268 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.205 -7.546 -3.480 1.00 0.00 C ATOM 0 H ILE A 3 -13.763 -10.288 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.696 -10.844 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.562 -8.423 -3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.113 -8.681 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.225 -9.668 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.260 -6.969 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.687 -8.020 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.195 -8.405 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.121 -7.510 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.666 -7.634 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.552 -6.632 -2.997 1.00 0.00 H new ATOM 50 N SER A 4 -13.261 -10.695 -0.041 1.00 0.00 N ATOM 51 CA SER A 4 -14.208 -10.901 1.042 1.00 0.00 C ATOM 52 C SER A 4 -13.791 -10.082 2.265 1.00 0.00 C ATOM 53 O SER A 4 -12.644 -10.156 2.705 1.00 0.00 O ATOM 54 CB SER A 4 -14.313 -12.383 1.407 1.00 0.00 C ATOM 55 OG SER A 4 -15.665 -12.792 1.596 1.00 0.00 O ATOM 0 H SER A 4 -12.280 -10.720 0.239 1.00 0.00 H new ATOM 0 HA SER A 4 -15.190 -10.566 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.859 -12.984 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.746 -12.573 2.318 1.00 0.00 H new ATOM 0 HG SER A 4 -15.690 -13.744 1.826 1.00 0.00 H new ATOM 61 N ILE A 5 -14.744 -9.318 2.780 1.00 0.00 N ATOM 62 CA ILE A 5 -14.490 -8.487 3.943 1.00 0.00 C ATOM 63 C ILE A 5 -14.403 -9.371 5.188 1.00 0.00 C ATOM 64 O ILE A 5 -15.211 -10.282 5.366 1.00 0.00 O ATOM 65 CB ILE A 5 -15.539 -7.378 4.049 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.605 -6.561 2.757 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.284 -6.496 5.272 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.279 -5.845 2.493 1.00 0.00 C ATOM 0 H ILE A 5 -15.693 -9.258 2.412 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.531 -7.979 3.845 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.515 -7.844 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.841 -7.217 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.410 -5.829 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.044 -5.716 5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.327 -7.105 6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.299 -6.037 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.353 -5.272 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -14.058 -5.172 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.480 -6.581 2.401 1.00 0.00 H new ATOM 80 N ILE A 6 -13.415 -9.072 6.020 1.00 0.00 N ATOM 81 CA ILE A 6 -13.211 -9.829 7.243 1.00 0.00 C ATOM 82 C ILE A 6 -13.748 -9.025 8.430 1.00 0.00 C ATOM 83 O ILE A 6 -14.606 -9.503 9.170 1.00 0.00 O ATOM 84 CB ILE A 6 -11.742 -10.231 7.387 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.275 -11.044 6.178 1.00 0.00 C ATOM 86 CG2 ILE A 6 -11.503 -10.974 8.703 1.00 0.00 C ATOM 87 CD1 ILE A 6 -11.638 -12.521 6.336 1.00 0.00 C ATOM 0 H ILE A 6 -12.747 -8.316 5.870 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.771 -10.764 7.210 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.141 -9.322 7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.732 -10.649 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.196 -10.942 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.451 -11.248 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.772 -10.329 9.539 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.116 -11.875 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.294 -13.076 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.159 -12.920 7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.719 -12.622 6.428 1.00 0.00 H new ATOM 99 N SER A 7 -13.220 -7.819 8.574 1.00 0.00 N ATOM 100 CA SER A 7 -13.635 -6.944 9.658 1.00 0.00 C ATOM 101 C SER A 7 -13.837 -5.521 9.134 1.00 0.00 C ATOM 102 O SER A 7 -13.391 -5.191 8.037 1.00 0.00 O ATOM 103 CB SER A 7 -12.610 -6.951 10.793 1.00 0.00 C ATOM 104 OG SER A 7 -11.809 -8.130 10.784 1.00 0.00 O ATOM 0 H SER A 7 -12.508 -7.426 7.958 1.00 0.00 H new ATOM 0 HA SER A 7 -14.580 -7.315 10.055 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.967 -6.075 10.706 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.128 -6.872 11.749 1.00 0.00 H new ATOM 0 HG SER A 7 -11.166 -8.095 11.523 1.00 0.00 H new ATOM 110 N ASP A 8 -14.513 -4.719 9.943 1.00 0.00 N ATOM 111 CA ASP A 8 -14.780 -3.339 9.574 1.00 0.00 C ATOM 112 C ASP A 8 -14.469 -2.428 10.764 1.00 0.00 C ATOM 113 O ASP A 8 -15.327 -2.198 11.615 1.00 0.00 O ATOM 114 CB ASP A 8 -16.251 -3.143 9.201 1.00 0.00 C ATOM 115 CG ASP A 8 -17.253 -3.762 10.177 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.801 -3.075 11.053 1.00 0.00 O ATOM 117 OD2 ASP A 8 -17.468 -5.023 10.012 1.00 0.00 O ATOM 0 H ASP A 8 -14.884 -4.998 10.852 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.154 -3.092 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.452 -2.074 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.419 -3.569 8.212 1.00 0.00 H new ATOM 123 N ARG A 9 -13.240 -1.935 10.785 1.00 0.00 N ATOM 124 CA ARG A 9 -12.805 -1.055 11.856 1.00 0.00 C ATOM 125 C ARG A 9 -12.752 0.394 11.365 1.00 0.00 C ATOM 126 O ARG A 9 -12.671 0.642 10.163 1.00 0.00 O ATOM 127 CB ARG A 9 -11.424 -1.461 12.377 1.00 0.00 C ATOM 128 CG ARG A 9 -11.539 -2.221 13.700 1.00 0.00 C ATOM 129 CD ARG A 9 -10.958 -1.403 14.854 1.00 0.00 C ATOM 130 NE ARG A 9 -10.193 -2.284 15.764 1.00 0.00 N ATOM 131 CZ ARG A 9 -9.675 -1.886 16.946 1.00 0.00 C ATOM 132 NH1 ARG A 9 -9.836 -0.615 17.371 1.00 0.00 N ATOM 133 NH2 ARG A 9 -9.008 -2.758 17.679 1.00 0.00 N ATOM 0 H ARG A 9 -12.531 -2.128 10.077 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.527 -1.141 12.668 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.921 -2.085 11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.808 -0.572 12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.585 -2.450 13.902 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.014 -3.173 13.624 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.310 -0.618 14.464 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.761 -0.910 15.402 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.048 -3.253 15.481 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.352 0.053 16.798 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.442 -0.322 18.265 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.890 -3.716 17.350 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.610 -2.473 18.574 1.00 0.00 H new ATOM 146 N ASN A 10 -12.799 1.311 12.319 1.00 0.00 N ATOM 147 CA ASN A 10 -12.757 2.728 11.999 1.00 0.00 C ATOM 148 C ASN A 10 -11.944 3.464 13.066 1.00 0.00 C ATOM 149 O ASN A 10 -12.294 3.440 14.245 1.00 0.00 O ATOM 150 CB ASN A 10 -14.163 3.329 11.977 1.00 0.00 C ATOM 151 CG ASN A 10 -14.109 4.855 12.084 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.277 5.516 11.484 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.038 5.374 12.882 1.00 0.00 N ATOM 0 H ASN A 10 -12.866 1.101 13.315 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.302 2.838 11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.670 3.043 11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.749 2.924 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.084 6.383 13.022 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.704 4.763 13.354 1.00 0.00 H new ATOM 160 N ASN A 11 -10.873 4.101 12.614 1.00 0.00 N ATOM 161 CA ASN A 11 -10.008 4.843 13.515 1.00 0.00 C ATOM 162 C ASN A 11 -9.975 6.312 13.089 1.00 0.00 C ATOM 163 O ASN A 11 -9.154 6.703 12.261 1.00 0.00 O ATOM 164 CB ASN A 11 -8.576 4.305 13.470 1.00 0.00 C ATOM 165 CG ASN A 11 -8.540 2.812 13.801 1.00 0.00 C ATOM 166 OD1 ASN A 11 -8.355 2.407 14.936 1.00 0.00 O ATOM 167 ND2 ASN A 11 -8.727 2.019 12.749 1.00 0.00 N ATOM 0 H ASN A 11 -10.585 4.118 11.636 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.402 4.736 14.526 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.152 4.472 12.480 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.955 4.853 14.179 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.721 1.006 12.867 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.877 2.424 11.825 1.00 0.00 H new ATOM 174 N PRO A 12 -10.902 7.105 13.691 1.00 0.00 N ATOM 175 CA PRO A 12 -10.987 8.523 13.382 1.00 0.00 C ATOM 176 C PRO A 12 -9.844 9.297 14.043 1.00 0.00 C ATOM 177 O PRO A 12 -9.320 10.249 13.467 1.00 0.00 O ATOM 178 CB PRO A 12 -12.359 8.952 13.876 1.00 0.00 C ATOM 179 CG PRO A 12 -12.804 7.877 14.854 1.00 0.00 C ATOM 180 CD PRO A 12 -11.890 6.676 14.675 1.00 0.00 C ATOM 0 HA PRO A 12 -10.880 8.729 12.317 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.312 9.927 14.362 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.062 9.042 13.048 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.752 8.247 15.878 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.841 7.598 14.669 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.416 6.396 15.616 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.445 5.805 14.325 1.00 0.00 H new ATOM 188 N LEU A 13 -9.492 8.859 15.243 1.00 0.00 N ATOM 189 CA LEU A 13 -8.422 9.499 15.989 1.00 0.00 C ATOM 190 C LEU A 13 -7.170 9.575 15.112 1.00 0.00 C ATOM 191 O LEU A 13 -6.675 10.663 14.824 1.00 0.00 O ATOM 192 CB LEU A 13 -8.196 8.783 17.323 1.00 0.00 C ATOM 193 CG LEU A 13 -9.374 8.797 18.298 1.00 0.00 C ATOM 194 CD1 LEU A 13 -10.138 7.472 18.253 1.00 0.00 C ATOM 195 CD2 LEU A 13 -8.909 9.141 19.714 1.00 0.00 C ATOM 0 H LEU A 13 -9.929 8.069 15.717 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.695 10.523 16.245 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.933 7.746 17.116 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.336 9.237 17.816 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.066 9.579 17.987 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.971 7.508 18.955 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.520 7.306 17.246 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.468 6.656 18.526 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.766 9.144 20.388 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.186 8.398 20.050 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.443 10.126 19.715 1.00 0.00 H new ATOM 207 N LEU A 14 -6.695 8.404 14.712 1.00 0.00 N ATOM 208 CA LEU A 14 -5.510 8.325 13.874 1.00 0.00 C ATOM 209 C LEU A 14 -5.801 8.981 12.523 1.00 0.00 C ATOM 210 O LEU A 14 -4.885 9.236 11.742 1.00 0.00 O ATOM 211 CB LEU A 14 -5.029 6.877 13.764 1.00 0.00 C ATOM 212 CG LEU A 14 -4.539 6.232 15.062 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.580 4.705 14.964 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.150 6.745 15.440 1.00 0.00 C ATOM 0 H LEU A 14 -7.109 7.503 14.952 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.686 8.878 14.325 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.845 6.273 13.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.220 6.838 13.035 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.217 6.522 15.865 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.227 4.271 15.899 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.603 4.380 14.777 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.939 4.376 14.146 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.826 6.270 16.366 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.445 6.506 14.644 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.187 7.825 15.580 1.00 0.00 H new ATOM 226 N GLN A 15 -7.081 9.237 12.289 1.00 0.00 N ATOM 227 CA GLN A 15 -7.504 9.859 11.046 1.00 0.00 C ATOM 228 C GLN A 15 -7.271 8.907 9.870 1.00 0.00 C ATOM 229 O GLN A 15 -6.553 9.241 8.929 1.00 0.00 O ATOM 230 CB GLN A 15 -6.782 11.189 10.825 1.00 0.00 C ATOM 231 CG GLN A 15 -7.109 12.182 11.942 1.00 0.00 C ATOM 232 CD GLN A 15 -5.854 12.932 12.393 1.00 0.00 C ATOM 233 OE1 GLN A 15 -5.657 14.100 12.099 1.00 0.00 O ATOM 234 NE2 GLN A 15 -5.019 12.198 13.122 1.00 0.00 N ATOM 0 H GLN A 15 -7.838 9.025 12.939 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.571 10.069 11.113 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.706 11.021 10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.073 11.610 9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.857 12.894 11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.544 11.652 12.789 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.245 11.226 13.332 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.153 12.607 13.472 1.00 0.00 H new ATOM 243 N ARG A 16 -7.892 7.740 9.964 1.00 0.00 N ATOM 244 CA ARG A 16 -7.763 6.738 8.920 1.00 0.00 C ATOM 245 C ARG A 16 -8.593 5.500 9.266 1.00 0.00 C ATOM 246 O ARG A 16 -8.489 4.967 10.370 1.00 0.00 O ATOM 247 CB ARG A 16 -6.302 6.326 8.730 1.00 0.00 C ATOM 248 CG ARG A 16 -5.656 5.959 10.068 1.00 0.00 C ATOM 249 CD ARG A 16 -4.154 6.246 10.050 1.00 0.00 C ATOM 250 NE ARG A 16 -3.457 5.359 11.008 1.00 0.00 N ATOM 251 CZ ARG A 16 -3.378 4.018 10.878 1.00 0.00 C ATOM 252 NH1 ARG A 16 -3.953 3.396 9.826 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.731 3.323 11.795 1.00 0.00 N ATOM 0 H ARG A 16 -8.486 7.466 10.747 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.129 7.178 7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.246 5.476 8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.748 7.142 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.128 6.525 10.871 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.825 4.903 10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.758 6.093 9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.972 7.289 10.309 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.008 5.788 11.817 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.452 3.940 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.888 2.382 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.300 3.800 12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.662 2.309 11.712 1.00 0.00 H new ATOM 266 N ARG A 17 -9.397 5.078 8.301 1.00 0.00 N ATOM 267 CA ARG A 17 -10.245 3.913 8.491 1.00 0.00 C ATOM 268 C ARG A 17 -9.466 2.633 8.178 1.00 0.00 C ATOM 269 O ARG A 17 -8.795 2.546 7.152 1.00 0.00 O ATOM 270 CB ARG A 17 -11.482 3.980 7.593 1.00 0.00 C ATOM 271 CG ARG A 17 -12.706 3.395 8.301 1.00 0.00 C ATOM 272 CD ARG A 17 -13.817 3.074 7.300 1.00 0.00 C ATOM 273 NE ARG A 17 -15.140 3.241 7.942 1.00 0.00 N ATOM 274 CZ ARG A 17 -16.284 3.485 7.267 1.00 0.00 C ATOM 275 NH1 ARG A 17 -16.276 3.590 5.921 1.00 0.00 N ATOM 276 NH2 ARG A 17 -17.410 3.617 7.943 1.00 0.00 N ATOM 0 H ARG A 17 -9.479 5.521 7.386 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.566 3.903 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.678 5.016 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.295 3.432 6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.422 2.490 8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.074 4.103 9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.738 3.731 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.706 2.052 6.936 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.191 3.167 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.402 3.485 5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.144 3.774 5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.407 3.535 8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.283 3.802 7.449 1.00 0.00 H new ATOM 289 N GLU A 18 -9.582 1.672 9.083 1.00 0.00 N ATOM 290 CA GLU A 18 -8.897 0.402 8.917 1.00 0.00 C ATOM 291 C GLU A 18 -9.912 -0.733 8.769 1.00 0.00 C ATOM 292 O GLU A 18 -10.659 -1.029 9.701 1.00 0.00 O ATOM 293 CB GLU A 18 -7.944 0.136 10.084 1.00 0.00 C ATOM 294 CG GLU A 18 -6.655 0.947 9.934 1.00 0.00 C ATOM 295 CD GLU A 18 -5.562 0.416 10.863 1.00 0.00 C ATOM 296 OE1 GLU A 18 -4.858 -0.542 10.509 1.00 0.00 O ATOM 297 OE2 GLU A 18 -5.456 1.033 11.991 1.00 0.00 O ATOM 0 H GLU A 18 -10.140 1.748 9.933 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.299 0.450 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.433 0.394 11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.706 -0.927 10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.312 0.903 8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.852 1.995 10.160 1.00 0.00 H new ATOM 305 N ILE A 19 -9.908 -1.339 7.590 1.00 0.00 N ATOM 306 CA ILE A 19 -10.819 -2.435 7.308 1.00 0.00 C ATOM 307 C ILE A 19 -10.013 -3.676 6.920 1.00 0.00 C ATOM 308 O ILE A 19 -8.977 -3.568 6.265 1.00 0.00 O ATOM 309 CB ILE A 19 -11.850 -2.018 6.257 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.668 -0.818 6.738 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.740 -3.198 5.864 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.968 -0.686 5.942 1.00 0.00 C ATOM 0 H ILE A 19 -9.288 -1.091 6.819 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.392 -2.692 8.199 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.316 -1.705 5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.896 -0.930 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.079 0.093 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.464 -2.875 5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.124 -3.997 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.268 -3.565 6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.530 0.175 6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.736 -0.550 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.565 -1.589 6.068 1.00 0.00 H new ATOM 324 N LYS A 20 -10.518 -4.826 7.339 1.00 0.00 N ATOM 325 CA LYS A 20 -9.858 -6.087 7.044 1.00 0.00 C ATOM 326 C LYS A 20 -10.673 -6.851 5.999 1.00 0.00 C ATOM 327 O LYS A 20 -11.903 -6.850 6.044 1.00 0.00 O ATOM 328 CB LYS A 20 -9.611 -6.876 8.331 1.00 0.00 C ATOM 329 CG LYS A 20 -8.191 -6.644 8.853 1.00 0.00 C ATOM 330 CD LYS A 20 -7.323 -7.888 8.654 1.00 0.00 C ATOM 331 CE LYS A 20 -7.452 -8.424 7.227 1.00 0.00 C ATOM 332 NZ LYS A 20 -6.247 -9.197 6.854 1.00 0.00 N ATOM 0 H LYS A 20 -11.378 -4.912 7.881 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.873 -5.911 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.334 -6.577 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.765 -7.939 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.743 -5.797 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.226 -6.387 9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.281 -7.646 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.619 -8.660 9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.336 -9.057 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.590 -7.596 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.147 -9.206 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.406 -8.756 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.339 -10.173 7.202 1.00 0.00 H new ATOM 345 N PHE A 21 -9.955 -7.486 5.084 1.00 0.00 N ATOM 346 CA PHE A 21 -10.597 -8.254 4.030 1.00 0.00 C ATOM 347 C PHE A 21 -9.653 -9.325 3.481 1.00 0.00 C ATOM 348 O PHE A 21 -8.521 -9.458 3.944 1.00 0.00 O ATOM 349 CB PHE A 21 -10.942 -7.272 2.909 1.00 0.00 C ATOM 350 CG PHE A 21 -9.783 -6.989 1.951 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.580 -7.796 0.875 1.00 0.00 C ATOM 352 CD2 PHE A 21 -8.958 -5.932 2.174 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.505 -7.534 -0.015 1.00 0.00 C ATOM 354 CE2 PHE A 21 -7.883 -5.670 1.284 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.679 -6.477 0.209 1.00 0.00 C ATOM 0 H PHE A 21 -8.936 -7.485 5.051 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.483 -8.754 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.783 -7.668 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.272 -6.332 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.236 -8.635 0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.120 -5.291 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.343 -8.174 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.228 -4.830 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.861 -6.279 -0.467 1.00 0.00 H new ATOM 365 N THR A 22 -10.154 -10.063 2.500 1.00 0.00 N ATOM 366 CA THR A 22 -9.369 -11.118 1.883 1.00 0.00 C ATOM 367 C THR A 22 -9.669 -11.199 0.385 1.00 0.00 C ATOM 368 O THR A 22 -10.730 -10.767 -0.063 1.00 0.00 O ATOM 369 CB THR A 22 -9.660 -12.422 2.630 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.523 -12.600 3.472 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.637 -13.643 1.709 1.00 0.00 C ATOM 0 H THR A 22 -11.093 -9.951 2.118 1.00 0.00 H new ATOM 0 HA THR A 22 -8.301 -10.912 1.959 1.00 0.00 H new ATOM 0 HB THR A 22 -10.634 -12.353 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.628 -13.422 3.994 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.849 -14.541 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.392 -13.527 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.653 -13.733 1.249 1.00 0.00 H new ATOM 379 N VAL A 23 -8.715 -11.753 -0.348 1.00 0.00 N ATOM 380 CA VAL A 23 -8.862 -11.895 -1.786 1.00 0.00 C ATOM 381 C VAL A 23 -8.437 -13.305 -2.202 1.00 0.00 C ATOM 382 O VAL A 23 -7.380 -13.784 -1.794 1.00 0.00 O ATOM 383 CB VAL A 23 -8.075 -10.796 -2.504 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.582 -10.893 -2.181 1.00 0.00 C ATOM 385 CG2 VAL A 23 -8.314 -10.848 -4.015 1.00 0.00 C ATOM 0 H VAL A 23 -7.836 -12.109 0.028 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.905 -11.772 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.435 -9.833 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.045 -10.101 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.434 -10.784 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.202 -11.863 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.743 -10.057 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.994 -11.816 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.375 -10.709 -4.221 1.00 0.00 H new ATOM 395 N SER A 24 -9.282 -13.929 -3.009 1.00 0.00 N ATOM 396 CA SER A 24 -9.007 -15.274 -3.484 1.00 0.00 C ATOM 397 C SER A 24 -8.613 -15.236 -4.962 1.00 0.00 C ATOM 398 O SER A 24 -9.204 -14.498 -5.747 1.00 0.00 O ATOM 399 CB SER A 24 -10.217 -16.188 -3.281 1.00 0.00 C ATOM 400 OG SER A 24 -10.344 -17.147 -4.328 1.00 0.00 O ATOM 0 H SER A 24 -10.157 -13.528 -3.346 1.00 0.00 H new ATOM 0 HA SER A 24 -8.178 -15.679 -2.903 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.125 -16.705 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.123 -15.584 -3.231 1.00 0.00 H new ATOM 0 HG SER A 24 -11.127 -17.712 -4.161 1.00 0.00 H new ATOM 406 N PHE A 25 -7.616 -16.043 -5.296 1.00 0.00 N ATOM 407 CA PHE A 25 -7.135 -16.112 -6.665 1.00 0.00 C ATOM 408 C PHE A 25 -6.033 -17.163 -6.809 1.00 0.00 C ATOM 409 O PHE A 25 -5.696 -17.848 -5.845 1.00 0.00 O ATOM 410 CB PHE A 25 -6.558 -14.736 -7.007 1.00 0.00 C ATOM 411 CG PHE A 25 -5.425 -14.289 -6.080 1.00 0.00 C ATOM 412 CD1 PHE A 25 -4.207 -14.889 -6.158 1.00 0.00 C ATOM 413 CD2 PHE A 25 -5.637 -13.293 -5.178 1.00 0.00 C ATOM 414 CE1 PHE A 25 -3.156 -14.474 -5.298 1.00 0.00 C ATOM 415 CE2 PHE A 25 -4.585 -12.879 -4.318 1.00 0.00 C ATOM 416 CZ PHE A 25 -3.367 -13.478 -4.396 1.00 0.00 C ATOM 0 H PHE A 25 -7.128 -16.655 -4.641 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.952 -16.389 -7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.190 -14.752 -8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.359 -13.997 -6.968 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.039 -15.680 -6.873 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.605 -12.817 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.188 -14.950 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.753 -12.088 -3.602 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.567 -13.163 -3.742 1.00 0.00 H new ATOM 426 N ASP A 26 -5.503 -17.257 -8.019 1.00 0.00 N ATOM 427 CA ASP A 26 -4.446 -18.214 -8.301 1.00 0.00 C ATOM 428 C ASP A 26 -3.109 -17.476 -8.400 1.00 0.00 C ATOM 429 O ASP A 26 -2.699 -17.073 -9.487 1.00 0.00 O ATOM 430 CB ASP A 26 -4.691 -18.931 -9.630 1.00 0.00 C ATOM 431 CG ASP A 26 -5.970 -19.768 -9.687 1.00 0.00 C ATOM 432 OD1 ASP A 26 -6.358 -20.409 -8.699 1.00 0.00 O ATOM 433 OD2 ASP A 26 -6.586 -19.746 -10.821 1.00 0.00 O ATOM 0 H ASP A 26 -5.785 -16.686 -8.816 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.431 -18.947 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.726 -18.187 -10.426 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.840 -19.580 -9.838 1.00 0.00 H new ATOM 439 N ALA A 27 -2.468 -17.322 -7.251 1.00 0.00 N ATOM 440 CA ALA A 27 -1.186 -16.639 -7.196 1.00 0.00 C ATOM 441 C ALA A 27 -1.281 -15.323 -7.970 1.00 0.00 C ATOM 442 O ALA A 27 -1.836 -14.345 -7.473 1.00 0.00 O ATOM 443 CB ALA A 27 -0.093 -17.560 -7.742 1.00 0.00 C ATOM 0 H ALA A 27 -2.812 -17.658 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.923 -16.397 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.868 -17.048 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.047 -18.467 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.321 -17.822 -8.775 1.00 0.00 H new ATOM 449 N ALA A 28 -0.727 -15.341 -9.174 1.00 0.00 N ATOM 450 CA ALA A 28 -0.743 -14.160 -10.021 1.00 0.00 C ATOM 451 C ALA A 28 -0.518 -12.916 -9.159 1.00 0.00 C ATOM 452 O ALA A 28 -1.452 -12.160 -8.899 1.00 0.00 O ATOM 453 CB ALA A 28 -2.061 -14.103 -10.794 1.00 0.00 C ATOM 0 H ALA A 28 -0.265 -16.153 -9.582 1.00 0.00 H new ATOM 0 HA ALA A 28 0.063 -14.203 -10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.072 -13.217 -11.429 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.158 -14.995 -11.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.893 -14.057 -10.091 1.00 0.00 H new ATOM 459 N THR A 29 0.727 -12.743 -8.740 1.00 0.00 N ATOM 460 CA THR A 29 1.086 -11.603 -7.912 1.00 0.00 C ATOM 461 C THR A 29 0.444 -10.327 -8.457 1.00 0.00 C ATOM 462 O THR A 29 0.917 -9.761 -9.442 1.00 0.00 O ATOM 463 CB THR A 29 2.613 -11.534 -7.841 1.00 0.00 C ATOM 464 OG1 THR A 29 2.940 -12.258 -6.658 1.00 0.00 O ATOM 465 CG2 THR A 29 3.123 -10.118 -7.564 1.00 0.00 C ATOM 0 H THR A 29 1.500 -13.372 -8.958 1.00 0.00 H new ATOM 0 HA THR A 29 0.704 -11.713 -6.897 1.00 0.00 H new ATOM 0 HB THR A 29 3.036 -11.896 -8.778 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.912 -12.264 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.212 -10.125 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.794 -9.450 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.727 -9.769 -6.611 1.00 0.00 H new ATOM 473 N PRO A 30 -0.651 -9.897 -7.773 1.00 0.00 N ATOM 474 CA PRO A 30 -1.362 -8.697 -8.178 1.00 0.00 C ATOM 475 C PRO A 30 -0.583 -7.440 -7.787 1.00 0.00 C ATOM 476 O PRO A 30 0.614 -7.507 -7.513 1.00 0.00 O ATOM 477 CB PRO A 30 -2.716 -8.793 -7.494 1.00 0.00 C ATOM 478 CG PRO A 30 -2.544 -9.800 -6.368 1.00 0.00 C ATOM 479 CD PRO A 30 -1.237 -10.542 -6.602 1.00 0.00 C ATOM 0 HA PRO A 30 -1.481 -8.623 -9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.027 -7.823 -7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.485 -9.118 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.528 -9.294 -5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.381 -10.498 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.578 -10.467 -5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.410 -11.603 -6.779 1.00 0.00 H new ATOM 487 N SER A 31 -1.293 -6.321 -7.774 1.00 0.00 N ATOM 488 CA SER A 31 -0.684 -5.051 -7.422 1.00 0.00 C ATOM 489 C SER A 31 -1.611 -4.266 -6.492 1.00 0.00 C ATOM 490 O SER A 31 -2.803 -4.556 -6.409 1.00 0.00 O ATOM 491 CB SER A 31 -0.364 -4.228 -8.672 1.00 0.00 C ATOM 492 OG SER A 31 -0.752 -4.899 -9.866 1.00 0.00 O ATOM 0 H SER A 31 -2.286 -6.269 -8.002 1.00 0.00 H new ATOM 0 HA SER A 31 0.253 -5.253 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.875 -3.267 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.705 -4.019 -8.705 1.00 0.00 H new ATOM 0 HG SER A 31 -0.667 -4.288 -10.627 1.00 0.00 H new ATOM 498 N ILE A 32 -1.028 -3.286 -5.816 1.00 0.00 N ATOM 499 CA ILE A 32 -1.787 -2.457 -4.895 1.00 0.00 C ATOM 500 C ILE A 32 -2.768 -1.590 -5.687 1.00 0.00 C ATOM 501 O ILE A 32 -3.969 -1.611 -5.428 1.00 0.00 O ATOM 502 CB ILE A 32 -0.844 -1.656 -3.995 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.363 -2.498 -3.576 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.592 -1.085 -2.788 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.040 -1.908 -2.337 1.00 0.00 C ATOM 0 H ILE A 32 -0.039 -3.048 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.381 -3.077 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.462 -0.810 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.044 -3.519 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.079 -2.548 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.899 -0.520 -2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.390 -0.427 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.021 -1.901 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.895 -2.526 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.379 -0.895 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.329 -1.882 -1.511 1.00 0.00 H new ATOM 517 N LYS A 33 -2.217 -0.845 -6.635 1.00 0.00 N ATOM 518 CA LYS A 33 -3.029 0.028 -7.466 1.00 0.00 C ATOM 519 C LYS A 33 -4.039 -0.813 -8.248 1.00 0.00 C ATOM 520 O LYS A 33 -5.135 -0.345 -8.555 1.00 0.00 O ATOM 521 CB LYS A 33 -2.139 0.902 -8.353 1.00 0.00 C ATOM 522 CG LYS A 33 -2.979 1.730 -9.326 1.00 0.00 C ATOM 523 CD LYS A 33 -3.112 1.022 -10.676 1.00 0.00 C ATOM 524 CE LYS A 33 -1.964 1.405 -11.611 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.488 2.024 -12.849 1.00 0.00 N ATOM 0 H LYS A 33 -1.219 -0.828 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.601 0.719 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.538 1.565 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.445 0.273 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.969 1.902 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.519 2.708 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.118 -0.058 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.064 1.285 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.292 2.100 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.379 0.520 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.695 2.278 -13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.111 1.349 -13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.027 2.880 -12.608 1.00 0.00 H new ATOM 538 N ASP A 34 -3.636 -2.039 -8.545 1.00 0.00 N ATOM 539 CA ASP A 34 -4.493 -2.950 -9.286 1.00 0.00 C ATOM 540 C ASP A 34 -5.544 -3.534 -8.340 1.00 0.00 C ATOM 541 O ASP A 34 -6.675 -3.797 -8.750 1.00 0.00 O ATOM 542 CB ASP A 34 -3.688 -4.110 -9.873 1.00 0.00 C ATOM 543 CG ASP A 34 -3.304 -3.952 -11.345 1.00 0.00 C ATOM 544 OD1 ASP A 34 -3.654 -2.954 -11.992 1.00 0.00 O ATOM 545 OD2 ASP A 34 -2.607 -4.921 -11.834 1.00 0.00 O ATOM 0 H ASP A 34 -2.727 -2.424 -8.286 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.960 -2.391 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.777 -4.233 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.266 -5.027 -9.761 1.00 0.00 H new ATOM 551 N VAL A 35 -5.136 -3.721 -7.095 1.00 0.00 N ATOM 552 CA VAL A 35 -6.028 -4.270 -6.088 1.00 0.00 C ATOM 553 C VAL A 35 -6.989 -3.177 -5.614 1.00 0.00 C ATOM 554 O VAL A 35 -8.168 -3.441 -5.382 1.00 0.00 O ATOM 555 CB VAL A 35 -5.215 -4.886 -4.948 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.090 -5.116 -3.713 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.544 -6.186 -5.394 1.00 0.00 C ATOM 0 H VAL A 35 -4.198 -3.502 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.631 -5.074 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.430 -4.180 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.488 -5.555 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.500 -4.164 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.906 -5.793 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.972 -6.603 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.306 -6.900 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.875 -5.982 -6.230 1.00 0.00 H new ATOM 567 N LYS A 36 -6.449 -1.974 -5.486 1.00 0.00 N ATOM 568 CA LYS A 36 -7.244 -0.841 -5.044 1.00 0.00 C ATOM 569 C LYS A 36 -8.443 -0.669 -5.979 1.00 0.00 C ATOM 570 O LYS A 36 -9.498 -0.194 -5.560 1.00 0.00 O ATOM 571 CB LYS A 36 -6.372 0.411 -4.927 1.00 0.00 C ATOM 572 CG LYS A 36 -6.628 1.370 -6.090 1.00 0.00 C ATOM 573 CD LYS A 36 -5.448 2.324 -6.286 1.00 0.00 C ATOM 574 CE LYS A 36 -5.826 3.752 -5.890 1.00 0.00 C ATOM 575 NZ LYS A 36 -5.165 4.729 -6.783 1.00 0.00 N ATOM 0 H LYS A 36 -5.471 -1.759 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.641 -1.021 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.579 0.915 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.320 0.125 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.796 0.801 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.536 1.943 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.601 1.989 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.129 2.304 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.908 3.876 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.533 3.939 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.432 5.694 -6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.133 4.621 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.465 4.560 -7.765 1.00 0.00 H new ATOM 588 N MET A 37 -8.241 -1.065 -7.226 1.00 0.00 N ATOM 589 CA MET A 37 -9.293 -0.961 -8.224 1.00 0.00 C ATOM 590 C MET A 37 -10.585 -1.613 -7.727 1.00 0.00 C ATOM 591 O MET A 37 -11.618 -0.953 -7.624 1.00 0.00 O ATOM 592 CB MET A 37 -8.841 -1.643 -9.517 1.00 0.00 C ATOM 593 CG MET A 37 -7.739 -0.836 -10.206 1.00 0.00 C ATOM 594 SD MET A 37 -8.371 -0.094 -11.701 1.00 0.00 S ATOM 595 CE MET A 37 -7.308 -0.873 -12.906 1.00 0.00 C ATOM 0 H MET A 37 -7.365 -1.459 -7.569 1.00 0.00 H new ATOM 0 HA MET A 37 -9.489 0.095 -8.410 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.477 -2.646 -9.295 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.691 -1.754 -10.190 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.369 -0.062 -9.534 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.895 -1.484 -10.441 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.568 -0.519 -13.904 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.269 -0.622 -12.691 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.437 -1.954 -12.860 1.00 0.00 H new ATOM 605 N LYS A 38 -10.486 -2.902 -7.434 1.00 0.00 N ATOM 606 CA LYS A 38 -11.634 -3.650 -6.951 1.00 0.00 C ATOM 607 C LYS A 38 -11.982 -3.185 -5.535 1.00 0.00 C ATOM 608 O LYS A 38 -13.141 -2.891 -5.242 1.00 0.00 O ATOM 609 CB LYS A 38 -11.376 -5.154 -7.058 1.00 0.00 C ATOM 610 CG LYS A 38 -10.504 -5.476 -8.273 1.00 0.00 C ATOM 611 CD LYS A 38 -9.073 -5.811 -7.846 1.00 0.00 C ATOM 612 CE LYS A 38 -8.696 -7.235 -8.263 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.435 -7.297 -9.718 1.00 0.00 N ATOM 0 H LYS A 38 -9.628 -3.447 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.506 -3.454 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.887 -5.508 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.325 -5.685 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.931 -6.317 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.495 -4.625 -8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.380 -5.101 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.978 -5.708 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.811 -7.559 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.501 -7.922 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.181 -8.270 -9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.289 -7.008 -10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.651 -6.657 -9.958 1.00 0.00 H new ATOM 626 N LEU A 39 -10.959 -3.130 -4.696 1.00 0.00 N ATOM 627 CA LEU A 39 -11.142 -2.706 -3.319 1.00 0.00 C ATOM 628 C LEU A 39 -11.892 -1.372 -3.296 1.00 0.00 C ATOM 629 O LEU A 39 -12.679 -1.114 -2.387 1.00 0.00 O ATOM 630 CB LEU A 39 -9.799 -2.669 -2.586 1.00 0.00 C ATOM 631 CG LEU A 39 -9.211 -4.025 -2.195 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.972 -3.853 -1.314 1.00 0.00 C ATOM 633 CD2 LEU A 39 -10.268 -4.910 -1.530 1.00 0.00 C ATOM 0 H LEU A 39 -10.000 -3.372 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.755 -3.426 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.077 -2.151 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.918 -2.072 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.891 -4.533 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.574 -4.833 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.215 -3.288 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.243 -3.315 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.824 -5.868 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.641 -4.419 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.093 -5.074 -2.223 1.00 0.00 H new ATOM 645 N VAL A 40 -11.622 -0.561 -4.309 1.00 0.00 N ATOM 646 CA VAL A 40 -12.261 0.740 -4.417 1.00 0.00 C ATOM 647 C VAL A 40 -13.776 0.550 -4.535 1.00 0.00 C ATOM 648 O VAL A 40 -14.545 1.258 -3.886 1.00 0.00 O ATOM 649 CB VAL A 40 -11.664 1.521 -5.589 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.712 2.434 -6.229 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.437 2.320 -5.146 1.00 0.00 C ATOM 0 H VAL A 40 -10.970 -0.780 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.075 1.333 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.341 0.802 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.262 2.978 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.543 1.832 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -13.079 3.143 -5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.032 2.866 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.724 3.025 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.680 1.639 -4.758 1.00 0.00 H new ATOM 661 N ALA A 41 -14.157 -0.408 -5.366 1.00 0.00 N ATOM 662 CA ALA A 41 -15.566 -0.699 -5.576 1.00 0.00 C ATOM 663 C ALA A 41 -16.117 -1.439 -4.356 1.00 0.00 C ATOM 664 O ALA A 41 -17.284 -1.278 -4.003 1.00 0.00 O ATOM 665 CB ALA A 41 -15.733 -1.501 -6.869 1.00 0.00 C ATOM 0 H ALA A 41 -13.516 -0.993 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.137 0.223 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.789 -1.720 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.353 -0.920 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.176 -2.435 -6.792 1.00 0.00 H new ATOM 671 N VAL A 42 -15.251 -2.234 -3.744 1.00 0.00 N ATOM 672 CA VAL A 42 -15.637 -2.999 -2.571 1.00 0.00 C ATOM 673 C VAL A 42 -15.842 -2.047 -1.392 1.00 0.00 C ATOM 674 O VAL A 42 -16.887 -2.071 -0.744 1.00 0.00 O ATOM 675 CB VAL A 42 -14.597 -4.085 -2.289 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.924 -4.836 -0.996 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.479 -5.052 -3.469 1.00 0.00 C ATOM 0 H VAL A 42 -14.283 -2.365 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.583 -3.511 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.631 -3.597 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.169 -5.602 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.933 -4.136 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.903 -5.306 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.733 -5.814 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.443 -5.529 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.177 -4.503 -4.361 1.00 0.00 H new ATOM 687 N LEU A 43 -14.827 -1.230 -1.149 1.00 0.00 N ATOM 688 CA LEU A 43 -14.883 -0.271 -0.059 1.00 0.00 C ATOM 689 C LEU A 43 -15.784 0.898 -0.459 1.00 0.00 C ATOM 690 O LEU A 43 -16.384 1.546 0.397 1.00 0.00 O ATOM 691 CB LEU A 43 -13.472 0.153 0.355 1.00 0.00 C ATOM 692 CG LEU A 43 -12.517 -0.979 0.738 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.176 -0.424 1.223 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.157 -1.911 1.769 1.00 0.00 C ATOM 0 H LEU A 43 -13.961 -1.213 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.326 -0.727 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.027 0.715 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.553 0.836 1.201 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.317 -1.573 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.515 -1.249 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.718 0.166 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.338 0.207 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.457 -2.707 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.405 -1.345 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.065 -2.346 1.352 1.00 0.00 H new ATOM 706 N ASN A 44 -15.851 1.134 -1.761 1.00 0.00 N ATOM 707 CA ASN A 44 -16.668 2.214 -2.286 1.00 0.00 C ATOM 708 C ASN A 44 -16.334 3.508 -1.541 1.00 0.00 C ATOM 709 O ASN A 44 -17.179 4.057 -0.834 1.00 0.00 O ATOM 710 CB ASN A 44 -18.157 1.924 -2.088 1.00 0.00 C ATOM 711 CG ASN A 44 -18.993 2.562 -3.199 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.480 3.152 -4.136 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.305 2.413 -3.042 1.00 0.00 N ATOM 0 H ASN A 44 -15.352 0.595 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.458 2.309 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.323 0.847 -2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.480 2.307 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.949 2.804 -3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.668 1.907 -2.234 1.00 0.00 H new ATOM 720 N ALA A 45 -15.102 3.958 -1.724 1.00 0.00 N ATOM 721 CA ALA A 45 -14.647 5.178 -1.078 1.00 0.00 C ATOM 722 C ALA A 45 -13.835 6.006 -2.077 1.00 0.00 C ATOM 723 O ALA A 45 -13.802 5.694 -3.265 1.00 0.00 O ATOM 724 CB ALA A 45 -13.844 4.822 0.175 1.00 0.00 C ATOM 0 H ALA A 45 -14.404 3.500 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.495 5.785 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.502 5.736 0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.475 4.260 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.982 4.216 -0.105 1.00 0.00 H new ATOM 730 N ASN A 46 -13.200 7.045 -1.555 1.00 0.00 N ATOM 731 CA ASN A 46 -12.390 7.920 -2.386 1.00 0.00 C ATOM 732 C ASN A 46 -11.179 7.144 -2.907 1.00 0.00 C ATOM 733 O ASN A 46 -10.270 6.821 -2.145 1.00 0.00 O ATOM 734 CB ASN A 46 -11.875 9.118 -1.585 1.00 0.00 C ATOM 735 CG ASN A 46 -11.279 10.181 -2.510 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.278 10.054 -3.724 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.776 11.234 -1.872 1.00 0.00 N ATOM 0 H ASN A 46 -13.230 7.301 -0.568 1.00 0.00 H new ATOM 0 HA ASN A 46 -13.012 8.276 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.691 9.551 -1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.120 8.786 -0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.357 11.999 -2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.809 11.277 -0.853 1.00 0.00 H new ATOM 744 N LYS A 47 -11.206 6.870 -4.204 1.00 0.00 N ATOM 745 CA LYS A 47 -10.121 6.138 -4.836 1.00 0.00 C ATOM 746 C LYS A 47 -8.864 7.010 -4.849 1.00 0.00 C ATOM 747 O LYS A 47 -7.751 6.497 -4.958 1.00 0.00 O ATOM 748 CB LYS A 47 -10.543 5.647 -6.222 1.00 0.00 C ATOM 749 CG LYS A 47 -10.849 6.825 -7.151 1.00 0.00 C ATOM 750 CD LYS A 47 -11.074 6.346 -8.586 1.00 0.00 C ATOM 751 CE LYS A 47 -9.852 6.637 -9.460 1.00 0.00 C ATOM 752 NZ LYS A 47 -10.222 6.617 -10.893 1.00 0.00 N ATOM 0 H LYS A 47 -11.961 7.142 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.882 5.241 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.750 5.036 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.423 5.010 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.735 7.352 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.024 7.536 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.280 5.276 -8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.951 6.840 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.435 7.610 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.076 5.896 -9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.381 6.816 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.599 5.680 -11.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.947 7.341 -11.075 1.00 0.00 H new ATOM 765 N GLN A 48 -9.083 8.311 -4.735 1.00 0.00 N ATOM 766 CA GLN A 48 -7.981 9.258 -4.731 1.00 0.00 C ATOM 767 C GLN A 48 -7.061 8.998 -3.536 1.00 0.00 C ATOM 768 O GLN A 48 -5.852 8.843 -3.701 1.00 0.00 O ATOM 769 CB GLN A 48 -8.495 10.699 -4.724 1.00 0.00 C ATOM 770 CG GLN A 48 -9.147 11.055 -6.063 1.00 0.00 C ATOM 771 CD GLN A 48 -9.643 12.502 -6.063 1.00 0.00 C ATOM 772 OE1 GLN A 48 -9.065 13.384 -5.450 1.00 0.00 O ATOM 773 NE2 GLN A 48 -10.745 12.696 -6.782 1.00 0.00 N ATOM 0 H GLN A 48 -10.008 8.732 -4.645 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.405 9.118 -5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.218 10.827 -3.918 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.670 11.382 -4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.429 10.913 -6.871 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.981 10.381 -6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.179 11.913 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.156 13.627 -6.844 1.00 0.00 H new ATOM 782 N VAL A 49 -7.670 8.960 -2.360 1.00 0.00 N ATOM 783 CA VAL A 49 -6.922 8.722 -1.138 1.00 0.00 C ATOM 784 C VAL A 49 -7.252 7.326 -0.606 1.00 0.00 C ATOM 785 O VAL A 49 -7.805 7.188 0.484 1.00 0.00 O ATOM 786 CB VAL A 49 -7.208 9.831 -0.124 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.741 11.190 -0.651 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.692 9.867 0.244 1.00 0.00 C ATOM 0 H VAL A 49 -8.673 9.090 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.850 8.750 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.643 9.611 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.956 11.961 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.668 11.158 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.266 11.421 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.869 10.664 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.285 10.051 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.982 8.911 0.680 1.00 0.00 H new ATOM 798 N LEU A 50 -6.899 6.326 -1.400 1.00 0.00 N ATOM 799 CA LEU A 50 -7.151 4.945 -1.023 1.00 0.00 C ATOM 800 C LEU A 50 -5.915 4.101 -1.336 1.00 0.00 C ATOM 801 O LEU A 50 -5.325 4.233 -2.407 1.00 0.00 O ATOM 802 CB LEU A 50 -8.430 4.433 -1.687 1.00 0.00 C ATOM 803 CG LEU A 50 -8.762 2.958 -1.457 1.00 0.00 C ATOM 804 CD1 LEU A 50 -10.267 2.756 -1.273 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.201 2.087 -2.583 1.00 0.00 C ATOM 0 H LEU A 50 -6.440 6.444 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.325 4.869 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.267 5.033 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.352 4.604 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.279 2.640 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.475 1.698 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.608 3.329 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.792 3.097 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.451 1.043 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.634 2.398 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.117 2.199 -2.624 1.00 0.00 H new ATOM 817 N VAL A 51 -5.559 3.253 -0.382 1.00 0.00 N ATOM 818 CA VAL A 51 -4.403 2.387 -0.543 1.00 0.00 C ATOM 819 C VAL A 51 -4.586 1.135 0.316 1.00 0.00 C ATOM 820 O VAL A 51 -5.538 1.041 1.089 1.00 0.00 O ATOM 821 CB VAL A 51 -3.123 3.157 -0.214 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.942 2.631 -1.031 1.00 0.00 C ATOM 823 CG2 VAL A 51 -3.315 4.659 -0.433 1.00 0.00 C ATOM 0 H VAL A 51 -6.051 3.147 0.505 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.312 2.060 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.898 2.998 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.044 3.195 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.784 1.577 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.155 2.745 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.390 5.183 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.576 4.844 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.116 5.021 0.212 1.00 0.00 H new ATOM 833 N VAL A 52 -3.658 0.204 0.153 1.00 0.00 N ATOM 834 CA VAL A 52 -3.704 -1.039 0.905 1.00 0.00 C ATOM 835 C VAL A 52 -2.590 -1.037 1.955 1.00 0.00 C ATOM 836 O VAL A 52 -1.547 -0.417 1.757 1.00 0.00 O ATOM 837 CB VAL A 52 -3.623 -2.232 -0.050 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.881 -3.403 0.598 1.00 0.00 C ATOM 839 CG2 VAL A 52 -5.017 -2.656 -0.517 1.00 0.00 C ATOM 0 H VAL A 52 -2.869 0.285 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.651 -1.129 1.436 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.056 -1.921 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.837 -4.238 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.869 -3.093 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.408 -3.713 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.931 -3.506 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.619 -2.940 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.495 -1.825 -1.036 1.00 0.00 H new ATOM 849 N ASP A 53 -2.851 -1.737 3.049 1.00 0.00 N ATOM 850 CA ASP A 53 -1.884 -1.825 4.130 1.00 0.00 C ATOM 851 C ASP A 53 -0.861 -2.915 3.807 1.00 0.00 C ATOM 852 O ASP A 53 0.339 -2.651 3.759 1.00 0.00 O ATOM 853 CB ASP A 53 -2.565 -2.190 5.450 1.00 0.00 C ATOM 854 CG ASP A 53 -2.516 -1.104 6.526 1.00 0.00 C ATOM 855 OD1 ASP A 53 -2.377 0.090 6.222 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.628 -1.532 7.738 1.00 0.00 O ATOM 0 H ASP A 53 -3.718 -2.249 3.210 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.402 -0.853 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.608 -2.433 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.098 -3.092 5.845 1.00 0.00 H new ATOM 862 N THR A 54 -1.374 -4.118 3.593 1.00 0.00 N ATOM 863 CA THR A 54 -0.521 -5.251 3.276 1.00 0.00 C ATOM 864 C THR A 54 -1.367 -6.488 2.975 1.00 0.00 C ATOM 865 O THR A 54 -2.517 -6.578 3.401 1.00 0.00 O ATOM 866 CB THR A 54 0.453 -5.449 4.440 1.00 0.00 C ATOM 867 OG1 THR A 54 1.643 -4.790 4.014 1.00 0.00 O ATOM 868 CG2 THR A 54 0.876 -6.910 4.607 1.00 0.00 C ATOM 0 H THR A 54 -2.370 -4.333 3.633 1.00 0.00 H new ATOM 0 HA THR A 54 0.061 -5.067 2.373 1.00 0.00 H new ATOM 0 HB THR A 54 -0.008 -5.096 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.408 -3.966 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.567 -6.995 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.004 -7.524 4.798 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.367 -7.253 3.696 1.00 0.00 H new ATOM 876 N LEU A 55 -0.765 -7.414 2.241 1.00 0.00 N ATOM 877 CA LEU A 55 -1.449 -8.643 1.877 1.00 0.00 C ATOM 878 C LEU A 55 -0.512 -9.831 2.111 1.00 0.00 C ATOM 879 O LEU A 55 0.680 -9.648 2.347 1.00 0.00 O ATOM 880 CB LEU A 55 -1.985 -8.554 0.447 1.00 0.00 C ATOM 881 CG LEU A 55 -3.274 -9.327 0.165 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.428 -8.374 -0.151 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.063 -10.360 -0.945 1.00 0.00 C ATOM 0 H LEU A 55 0.189 -7.337 1.889 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.323 -8.796 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.155 -7.504 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.213 -8.914 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.547 -9.875 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.332 -8.950 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.597 -7.713 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.179 -7.779 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.995 -10.896 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.752 -9.854 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.291 -11.067 -0.642 1.00 0.00 H new ATOM 895 N ASP A 56 -1.091 -11.020 2.038 1.00 0.00 N ATOM 896 CA ASP A 56 -0.323 -12.238 2.238 1.00 0.00 C ATOM 897 C ASP A 56 -1.101 -13.426 1.671 1.00 0.00 C ATOM 898 O ASP A 56 -2.299 -13.561 1.915 1.00 0.00 O ATOM 899 CB ASP A 56 -0.082 -12.498 3.727 1.00 0.00 C ATOM 900 CG ASP A 56 1.380 -12.415 4.170 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.779 -11.483 4.885 1.00 0.00 O ATOM 902 OD2 ASP A 56 2.134 -13.372 3.746 1.00 0.00 O ATOM 0 H ASP A 56 -2.081 -11.167 1.843 1.00 0.00 H new ATOM 0 HA ASP A 56 0.635 -12.119 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.662 -11.778 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.465 -13.488 3.974 1.00 0.00 H new ATOM 908 N GLN A 57 -0.389 -14.257 0.923 1.00 0.00 N ATOM 909 CA GLN A 57 -0.998 -15.429 0.318 1.00 0.00 C ATOM 910 C GLN A 57 -1.246 -16.504 1.378 1.00 0.00 C ATOM 911 O GLN A 57 -0.404 -16.732 2.246 1.00 0.00 O ATOM 912 CB GLN A 57 -0.133 -15.970 -0.821 1.00 0.00 C ATOM 913 CG GLN A 57 -0.906 -16.990 -1.660 1.00 0.00 C ATOM 914 CD GLN A 57 0.001 -18.144 -2.094 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.218 -18.045 -2.091 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.656 -19.238 -2.465 1.00 0.00 N ATOM 0 H GLN A 57 0.604 -14.141 0.722 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.958 -15.138 -0.107 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.196 -15.147 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.764 -16.435 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.745 -17.379 -1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.324 -16.501 -2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.676 -19.253 -2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.141 -20.063 -2.771 1.00 0.00 H new ATOM 925 N ILE A 58 -2.404 -17.139 1.272 1.00 0.00 N ATOM 926 CA ILE A 58 -2.772 -18.186 2.210 1.00 0.00 C ATOM 927 C ILE A 58 -2.179 -19.516 1.741 1.00 0.00 C ATOM 928 O ILE A 58 -2.270 -19.860 0.564 1.00 0.00 O ATOM 929 CB ILE A 58 -4.290 -18.223 2.402 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.831 -16.837 2.757 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.685 -19.275 3.440 1.00 0.00 C ATOM 932 CD1 ILE A 58 -4.056 -16.228 3.926 1.00 0.00 C ATOM 0 H ILE A 58 -3.100 -16.949 0.551 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.354 -17.980 3.195 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.747 -18.515 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.760 -16.182 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.887 -16.910 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.769 -19.281 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.351 -20.258 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.218 -19.037 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.461 -15.243 4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.149 -16.873 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.004 -16.133 3.655 1.00 0.00 H new ATOM 944 N PHE A 59 -1.585 -20.229 2.688 1.00 0.00 N ATOM 945 CA PHE A 59 -0.978 -21.514 2.387 1.00 0.00 C ATOM 946 C PHE A 59 -2.033 -22.621 2.338 1.00 0.00 C ATOM 947 O PHE A 59 -1.941 -23.537 1.522 1.00 0.00 O ATOM 948 CB PHE A 59 0.010 -21.816 3.515 1.00 0.00 C ATOM 949 CG PHE A 59 1.038 -22.897 3.169 1.00 0.00 C ATOM 950 CD1 PHE A 59 2.157 -22.572 2.470 1.00 0.00 C ATOM 951 CD2 PHE A 59 0.830 -24.183 3.561 1.00 0.00 C ATOM 952 CE1 PHE A 59 3.110 -23.575 2.149 1.00 0.00 C ATOM 953 CE2 PHE A 59 1.782 -25.185 3.240 1.00 0.00 C ATOM 954 CZ PHE A 59 2.903 -24.861 2.541 1.00 0.00 C ATOM 0 H PHE A 59 -1.512 -19.941 3.664 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.486 -21.475 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.537 -20.899 3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.547 -22.128 4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.322 -21.551 2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.060 -24.441 4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.999 -23.317 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.616 -26.206 3.551 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.628 -25.624 2.298 1.00 0.00 H new ATOM 964 N GLY A 60 -3.011 -22.501 3.224 1.00 0.00 N ATOM 965 CA GLY A 60 -4.082 -23.481 3.292 1.00 0.00 C ATOM 966 C GLY A 60 -4.646 -23.776 1.901 1.00 0.00 C ATOM 967 O GLY A 60 -4.855 -24.935 1.545 1.00 0.00 O ATOM 0 H GLY A 60 -3.084 -21.741 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.709 -24.402 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.877 -23.111 3.940 1.00 0.00 H new ATOM 971 N LYS A 61 -4.875 -22.707 1.152 1.00 0.00 N ATOM 972 CA LYS A 61 -5.410 -22.837 -0.193 1.00 0.00 C ATOM 973 C LYS A 61 -4.830 -21.731 -1.077 1.00 0.00 C ATOM 974 O LYS A 61 -3.709 -21.276 -0.852 1.00 0.00 O ATOM 975 CB LYS A 61 -6.940 -22.860 -0.161 1.00 0.00 C ATOM 976 CG LYS A 61 -7.500 -21.496 0.247 1.00 0.00 C ATOM 977 CD LYS A 61 -9.010 -21.431 0.014 1.00 0.00 C ATOM 978 CE LYS A 61 -9.778 -21.769 1.293 1.00 0.00 C ATOM 979 NZ LYS A 61 -11.077 -21.058 1.321 1.00 0.00 N ATOM 0 H LYS A 61 -4.700 -21.748 1.451 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.109 -23.788 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.324 -23.136 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.281 -23.622 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.282 -21.310 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.006 -20.710 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.286 -20.433 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.290 -22.127 -0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.944 -22.845 1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.185 -21.491 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.649 -21.412 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.912 -20.038 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.583 -21.224 0.428 1.00 0.00 H new ATOM 992 N LEU A 62 -5.618 -21.331 -2.063 1.00 0.00 N ATOM 993 CA LEU A 62 -5.197 -20.287 -2.982 1.00 0.00 C ATOM 994 C LEU A 62 -5.817 -18.956 -2.552 1.00 0.00 C ATOM 995 O LEU A 62 -6.209 -18.149 -3.394 1.00 0.00 O ATOM 996 CB LEU A 62 -5.523 -20.679 -4.424 1.00 0.00 C ATOM 997 CG LEU A 62 -4.859 -21.959 -4.937 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.810 -22.745 -5.841 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.533 -21.648 -5.634 1.00 0.00 C ATOM 0 H LEU A 62 -6.547 -21.711 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.115 -20.162 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.603 -20.793 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.234 -19.856 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.631 -22.592 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.314 -23.650 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.704 -23.016 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.091 -22.130 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.082 -22.575 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.713 -20.985 -6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.857 -21.162 -4.930 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.884 -18.766 -1.243 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.448 -17.546 -0.691 1.00 0.00 C ATOM 1013 C GLU A 63 -5.339 -16.535 -0.393 1.00 0.00 C ATOM 1014 O GLU A 63 -4.157 -16.862 -0.481 1.00 0.00 O ATOM 1015 CB GLU A 63 -7.273 -17.841 0.563 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.378 -16.800 0.751 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.750 -17.470 0.852 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.841 -18.639 1.252 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.745 -16.728 0.499 1.00 0.00 O ATOM 0 H GLU A 63 -5.557 -19.437 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.118 -17.112 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.714 -18.835 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.622 -17.847 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.186 -16.219 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.371 -16.102 -0.086 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.760 -15.328 -0.045 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.817 -14.268 0.267 1.00 0.00 C ATOM 1029 C ALA A 64 -5.489 -13.248 1.188 1.00 0.00 C ATOM 1030 O ALA A 64 -6.519 -12.674 0.837 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.310 -13.637 -1.031 1.00 0.00 C ATOM 0 H ALA A 64 -6.742 -15.061 0.028 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.951 -14.668 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.602 -12.842 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.815 -14.397 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.151 -13.222 -1.587 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.879 -13.053 2.349 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.406 -12.112 3.321 1.00 0.00 C ATOM 1039 C GLU A 65 -4.611 -10.806 3.282 1.00 0.00 C ATOM 1040 O GLU A 65 -3.396 -10.820 3.084 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.399 -12.716 4.727 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.263 -11.890 5.683 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.636 -11.831 7.076 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -4.402 -11.824 7.201 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -6.478 -11.789 8.053 1.00 0.00 O ATOM 0 H GLU A 65 -4.025 -13.531 2.637 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.441 -11.892 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.770 -13.740 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.377 -12.761 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.382 -10.880 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.260 -12.326 5.747 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.326 -9.707 3.473 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.702 -8.395 3.462 1.00 0.00 C ATOM 1055 C GLY A 66 -5.562 -7.373 4.208 1.00 0.00 C ATOM 1056 O GLY A 66 -6.725 -7.636 4.511 1.00 0.00 O ATOM 0 H GLY A 66 -6.333 -9.698 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.717 -8.453 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.553 -8.068 2.433 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.956 -6.226 4.482 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.651 -5.163 5.187 1.00 0.00 C ATOM 1062 C TYR A 67 -5.707 -3.889 4.341 1.00 0.00 C ATOM 1063 O TYR A 67 -4.724 -3.524 3.698 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.832 -4.887 6.450 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.676 -4.502 7.666 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.580 -3.463 7.579 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -5.532 -5.194 8.852 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -7.373 -3.100 8.726 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -6.326 -4.832 9.998 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.207 -3.803 9.878 1.00 0.00 C ATOM 1071 OH TYR A 67 -7.956 -3.460 10.959 1.00 0.00 O ATOM 0 H TYR A 67 -3.992 -6.010 4.228 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.676 -5.458 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.247 -5.774 6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.124 -4.085 6.243 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.693 -2.922 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.824 -6.007 8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.083 -2.288 8.672 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.224 -5.366 10.931 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.733 -4.047 11.711 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.867 -3.249 4.368 1.00 0.00 N ATOM 1082 CA ALA A 68 -7.063 -2.024 3.612 1.00 0.00 C ATOM 1083 C ALA A 68 -7.202 -0.848 4.581 1.00 0.00 C ATOM 1084 O ALA A 68 -7.971 -0.917 5.538 1.00 0.00 O ATOM 1085 CB ALA A 68 -8.282 -2.176 2.700 1.00 0.00 C ATOM 0 H ALA A 68 -7.680 -3.556 4.902 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.202 -1.825 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.429 -1.257 2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.120 -3.005 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.167 -2.374 3.305 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.448 0.203 4.298 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.477 1.392 5.132 1.00 0.00 C ATOM 1093 C LYS A 69 -6.818 2.608 4.268 1.00 0.00 C ATOM 1094 O LYS A 69 -6.409 2.685 3.110 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.167 1.536 5.908 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.119 2.866 6.663 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.501 3.966 5.798 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.981 4.012 5.972 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.559 5.330 6.495 1.00 0.00 N ATOM 0 H LYS A 69 -5.812 0.256 3.502 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.259 1.308 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.065 0.710 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.324 1.474 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.127 3.156 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.538 2.748 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.745 3.790 4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.931 4.931 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.663 3.224 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.494 3.820 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.624 5.573 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.250 6.054 6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.506 5.291 7.533 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.561 3.529 4.863 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.960 4.737 4.162 1.00 0.00 C ATOM 1114 C ILE A 70 -7.810 5.938 5.099 1.00 0.00 C ATOM 1115 O ILE A 70 -8.210 5.877 6.261 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.368 4.581 3.584 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.397 3.506 2.495 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.907 5.922 3.081 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.790 2.885 2.376 1.00 0.00 C ATOM 0 H ILE A 70 -7.897 3.463 5.824 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.307 4.915 3.307 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.030 4.248 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.107 3.943 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.667 2.730 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.909 5.782 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.946 6.632 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.251 6.309 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.784 2.124 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.067 2.428 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.513 3.660 2.122 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.232 7.000 4.559 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.024 8.214 5.330 1.00 0.00 C ATOM 1133 C TYR A 71 -7.862 9.367 4.777 1.00 0.00 C ATOM 1134 O TYR A 71 -8.111 9.436 3.574 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.540 8.559 5.182 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.963 8.238 3.802 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.347 7.024 3.577 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -5.058 9.163 2.782 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.803 6.722 2.279 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -4.514 8.861 1.483 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.913 7.655 1.296 1.00 0.00 C ATOM 1142 OH TYR A 71 -3.399 7.370 0.070 1.00 0.00 O ATOM 0 H TYR A 71 -6.901 7.045 3.595 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.316 8.063 6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.402 9.621 5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.973 8.014 5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.273 6.300 4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.540 10.113 2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.318 5.776 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.582 9.576 0.676 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.551 8.128 -0.533 1.00 0.00 H new ATOM 1152 N ASN A 72 -8.275 10.244 5.681 1.00 0.00 N ATOM 1153 CA ASN A 72 -9.081 11.390 5.298 1.00 0.00 C ATOM 1154 C ASN A 72 -8.166 12.496 4.769 1.00 0.00 C ATOM 1155 O ASN A 72 -8.480 13.142 3.770 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.852 11.947 6.496 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.670 10.849 7.179 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.759 10.499 6.757 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.086 10.330 8.255 1.00 0.00 N ATOM 0 H ASN A 72 -8.066 10.183 6.678 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.788 11.065 4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.155 12.384 7.211 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.514 12.748 6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.552 9.592 8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.172 10.670 8.553 1.00 0.00 H new ATOM 1166 N ASP A 73 -7.052 12.682 5.463 1.00 0.00 N ATOM 1167 CA ASP A 73 -6.090 13.699 5.075 1.00 0.00 C ATOM 1168 C ASP A 73 -4.682 13.103 5.115 1.00 0.00 C ATOM 1169 O ASP A 73 -4.266 12.549 6.132 1.00 0.00 O ATOM 1170 CB ASP A 73 -6.128 14.888 6.037 1.00 0.00 C ATOM 1171 CG ASP A 73 -7.259 14.851 7.066 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.015 14.813 8.282 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -8.450 14.861 6.570 1.00 0.00 O ATOM 0 H ASP A 73 -6.795 12.145 6.291 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.344 14.039 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.177 14.938 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.217 15.805 5.454 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.984 13.239 3.996 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.630 12.721 3.891 1.00 0.00 C ATOM 1181 C GLU A 74 -1.705 13.453 4.865 1.00 0.00 C ATOM 1182 O GLU A 74 -0.671 12.919 5.264 1.00 0.00 O ATOM 1183 CB GLU A 74 -2.113 12.829 2.456 1.00 0.00 C ATOM 1184 CG GLU A 74 -3.154 12.324 1.457 1.00 0.00 C ATOM 1185 CD GLU A 74 -3.331 13.311 0.301 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.156 14.524 0.490 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -3.661 12.778 -0.826 1.00 0.00 O ATOM 0 H GLU A 74 -4.331 13.700 3.155 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.643 11.664 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.864 13.866 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.195 12.251 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.848 11.353 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.108 12.177 1.964 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.109 14.664 5.220 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.330 15.474 6.139 1.00 0.00 C ATOM 1197 C LYS A 75 -1.070 14.679 7.420 1.00 0.00 C ATOM 1198 O LYS A 75 0.050 14.661 7.928 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.014 16.821 6.380 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.480 17.443 5.063 1.00 0.00 C ATOM 1201 CD LYS A 75 -3.961 17.153 4.811 1.00 0.00 C ATOM 1202 CE LYS A 75 -4.794 18.434 4.898 1.00 0.00 C ATOM 1203 NZ LYS A 75 -4.729 19.181 3.622 1.00 0.00 N ATOM 0 H LYS A 75 -2.967 15.104 4.887 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.358 15.710 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.867 16.686 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.324 17.499 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.316 18.520 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.884 17.049 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.084 16.701 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.323 16.429 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.830 18.186 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.427 19.059 5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.299 20.047 3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.741 19.434 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.101 18.588 2.853 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.124 14.039 7.904 1.00 0.00 N ATOM 1217 CA ALA A 76 -2.024 13.244 9.116 1.00 0.00 C ATOM 1218 C ALA A 76 -1.193 11.991 8.832 1.00 0.00 C ATOM 1219 O ALA A 76 -0.226 11.709 9.538 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.428 12.908 9.625 1.00 0.00 C ATOM 0 H ALA A 76 -3.051 14.055 7.479 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.518 13.805 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.352 12.312 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.968 13.830 9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.965 12.342 8.864 1.00 0.00 H new ATOM 1226 N MET A 77 -1.599 11.273 7.795 1.00 0.00 N ATOM 1227 CA MET A 77 -0.903 10.058 7.408 1.00 0.00 C ATOM 1228 C MET A 77 0.587 10.325 7.188 1.00 0.00 C ATOM 1229 O MET A 77 1.435 9.640 7.760 1.00 0.00 O ATOM 1230 CB MET A 77 -1.518 9.505 6.121 1.00 0.00 C ATOM 1231 CG MET A 77 -0.528 8.601 5.384 1.00 0.00 C ATOM 1232 SD MET A 77 -1.409 7.454 4.338 1.00 0.00 S ATOM 1233 CE MET A 77 -1.452 8.390 2.819 1.00 0.00 C ATOM 0 H MET A 77 -2.401 11.510 7.211 1.00 0.00 H new ATOM 0 HA MET A 77 -1.007 9.331 8.213 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.422 8.944 6.358 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.815 10.329 5.473 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.151 9.206 4.783 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.083 8.055 6.103 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.653 7.719 1.984 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.238 9.143 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.491 8.881 2.667 1.00 0.00 H new ATOM 1243 N ALA A 78 0.861 11.321 6.360 1.00 0.00 N ATOM 1244 CA ALA A 78 2.234 11.687 6.057 1.00 0.00 C ATOM 1245 C ALA A 78 3.032 11.781 7.359 1.00 0.00 C ATOM 1246 O ALA A 78 4.233 11.519 7.377 1.00 0.00 O ATOM 1247 CB ALA A 78 2.251 12.998 5.267 1.00 0.00 C ATOM 0 H ALA A 78 0.155 11.887 5.889 1.00 0.00 H new ATOM 0 HA ALA A 78 2.705 10.926 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.281 13.273 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.696 12.870 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.788 13.786 5.860 1.00 0.00 H new ATOM 1253 N THR A 79 2.330 12.154 8.420 1.00 0.00 N ATOM 1254 CA THR A 79 2.957 12.286 9.723 1.00 0.00 C ATOM 1255 C THR A 79 2.876 10.964 10.490 1.00 0.00 C ATOM 1256 O THR A 79 3.900 10.351 10.787 1.00 0.00 O ATOM 1257 CB THR A 79 2.290 13.453 10.454 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.810 14.611 9.805 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.770 13.590 11.900 1.00 0.00 C ATOM 0 H THR A 79 1.333 12.369 8.403 1.00 0.00 H new ATOM 0 HA THR A 79 4.020 12.508 9.629 1.00 0.00 H new ATOM 0 HB THR A 79 1.208 13.318 10.442 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.428 15.415 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.266 14.433 12.373 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.540 12.676 12.448 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.847 13.759 11.911 1.00 0.00 H new ATOM 1267 N ILE A 80 1.649 10.564 10.787 1.00 0.00 N ATOM 1268 CA ILE A 80 1.420 9.326 11.513 1.00 0.00 C ATOM 1269 C ILE A 80 2.291 8.220 10.914 1.00 0.00 C ATOM 1270 O ILE A 80 3.281 7.808 11.517 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.072 8.988 11.540 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.800 9.805 12.610 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.290 7.484 11.719 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.280 9.422 12.679 1.00 0.00 C ATOM 0 H ILE A 80 0.802 11.075 10.538 1.00 0.00 H new ATOM 0 HA ILE A 80 1.716 9.436 12.556 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.503 9.263 10.577 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.332 9.639 13.580 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.706 10.868 12.388 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.359 7.271 11.735 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.175 6.948 10.892 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.159 7.161 12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.774 10.017 13.447 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.750 9.612 11.714 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.371 8.364 12.925 1.00 0.00 H new ATOM 1286 N GLU A 81 1.890 7.771 9.733 1.00 0.00 N ATOM 1287 CA GLU A 81 2.621 6.720 9.045 1.00 0.00 C ATOM 1288 C GLU A 81 4.105 7.081 8.951 1.00 0.00 C ATOM 1289 O GLU A 81 4.522 8.139 9.420 1.00 0.00 O ATOM 1290 CB GLU A 81 2.031 6.459 7.658 1.00 0.00 C ATOM 1291 CG GLU A 81 0.923 5.407 7.723 1.00 0.00 C ATOM 1292 CD GLU A 81 -0.216 5.865 8.636 1.00 0.00 C ATOM 1293 OE1 GLU A 81 -0.686 7.006 8.516 1.00 0.00 O ATOM 1294 OE2 GLU A 81 -0.613 4.987 9.494 1.00 0.00 O ATOM 0 H GLU A 81 1.069 8.116 9.236 1.00 0.00 H new ATOM 0 HA GLU A 81 2.526 5.800 9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.633 7.387 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.817 6.123 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.537 5.218 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.332 4.466 8.090 1.00 0.00 H new ATOM 1302 N THR A 82 4.862 6.181 8.340 1.00 0.00 N ATOM 1303 CA THR A 82 6.291 6.391 8.178 1.00 0.00 C ATOM 1304 C THR A 82 6.679 6.301 6.701 1.00 0.00 C ATOM 1305 O THR A 82 5.837 6.481 5.823 1.00 0.00 O ATOM 1306 CB THR A 82 7.021 5.377 9.062 1.00 0.00 C ATOM 1307 OG1 THR A 82 6.795 4.127 8.416 1.00 0.00 O ATOM 1308 CG2 THR A 82 6.363 5.213 10.432 1.00 0.00 C ATOM 0 H THR A 82 4.513 5.305 7.951 1.00 0.00 H new ATOM 0 HA THR A 82 6.583 7.391 8.497 1.00 0.00 H new ATOM 0 HB THR A 82 8.057 5.690 9.193 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.236 3.413 8.922 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.921 4.483 11.018 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.362 6.171 10.952 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.337 4.868 10.304 1.00 0.00 H new ATOM 1316 N LYS A 83 7.954 6.024 6.474 1.00 0.00 N ATOM 1317 CA LYS A 83 8.465 5.908 5.118 1.00 0.00 C ATOM 1318 C LYS A 83 8.183 4.500 4.591 1.00 0.00 C ATOM 1319 O LYS A 83 8.101 4.291 3.380 1.00 0.00 O ATOM 1320 CB LYS A 83 9.942 6.300 5.066 1.00 0.00 C ATOM 1321 CG LYS A 83 10.828 5.169 5.595 1.00 0.00 C ATOM 1322 CD LYS A 83 10.862 5.171 7.125 1.00 0.00 C ATOM 1323 CE LYS A 83 12.269 4.862 7.642 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.429 3.409 7.875 1.00 0.00 N ATOM 0 H LYS A 83 8.649 5.876 7.206 1.00 0.00 H new ATOM 0 HA LYS A 83 7.952 6.606 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.223 6.538 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.104 7.201 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.453 4.210 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.840 5.281 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.539 6.143 7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.159 4.432 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.011 5.204 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.450 5.407 8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.389 3.217 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.733 3.092 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.277 2.896 6.983 1.00 0.00 H new ATOM 1337 N SER A 84 8.042 3.569 5.523 1.00 0.00 N ATOM 1338 CA SER A 84 7.771 2.188 5.168 1.00 0.00 C ATOM 1339 C SER A 84 6.366 2.065 4.577 1.00 0.00 C ATOM 1340 O SER A 84 6.151 1.314 3.627 1.00 0.00 O ATOM 1341 CB SER A 84 7.920 1.267 6.380 1.00 0.00 C ATOM 1342 OG SER A 84 8.554 0.037 6.043 1.00 0.00 O ATOM 0 H SER A 84 8.111 3.745 6.525 1.00 0.00 H new ATOM 0 HA SER A 84 8.501 1.879 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.500 1.774 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.936 1.063 6.803 1.00 0.00 H new ATOM 0 HG SER A 84 8.631 -0.521 6.845 1.00 0.00 H new ATOM 1348 N VAL A 85 5.444 2.816 5.163 1.00 0.00 N ATOM 1349 CA VAL A 85 4.065 2.800 4.707 1.00 0.00 C ATOM 1350 C VAL A 85 3.956 3.588 3.400 1.00 0.00 C ATOM 1351 O VAL A 85 3.656 3.020 2.351 1.00 0.00 O ATOM 1352 CB VAL A 85 3.144 3.334 5.805 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.791 3.755 5.230 1.00 0.00 C ATOM 1354 CG2 VAL A 85 2.969 2.304 6.923 1.00 0.00 C ATOM 0 H VAL A 85 5.626 3.439 5.950 1.00 0.00 H new ATOM 0 HA VAL A 85 3.743 1.779 4.500 1.00 0.00 H new ATOM 0 HB VAL A 85 3.614 4.218 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.156 4.131 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.939 4.539 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.312 2.896 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.310 2.709 7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.532 1.393 6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.940 2.075 7.362 1.00 0.00 H new ATOM 1364 N LEU A 86 4.206 4.885 3.506 1.00 0.00 N ATOM 1365 CA LEU A 86 4.139 5.757 2.345 1.00 0.00 C ATOM 1366 C LEU A 86 4.909 5.117 1.188 1.00 0.00 C ATOM 1367 O LEU A 86 4.634 5.403 0.022 1.00 0.00 O ATOM 1368 CB LEU A 86 4.626 7.163 2.703 1.00 0.00 C ATOM 1369 CG LEU A 86 3.574 8.105 3.296 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.414 7.316 3.908 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.207 9.067 4.303 1.00 0.00 C ATOM 0 H LEU A 86 4.455 5.353 4.377 1.00 0.00 H new ATOM 0 HA LEU A 86 3.107 5.875 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.446 7.072 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.034 7.625 1.804 1.00 0.00 H new ATOM 0 HG LEU A 86 3.161 8.709 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.681 8.009 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.942 6.706 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.791 6.670 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.439 9.725 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.663 8.498 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.971 9.665 3.805 1.00 0.00 H new ATOM 1383 N GLU A 87 5.856 4.265 1.548 1.00 0.00 N ATOM 1384 CA GLU A 87 6.667 3.582 0.554 1.00 0.00 C ATOM 1385 C GLU A 87 5.775 2.809 -0.419 1.00 0.00 C ATOM 1386 O GLU A 87 5.892 2.965 -1.633 1.00 0.00 O ATOM 1387 CB GLU A 87 7.685 2.655 1.219 1.00 0.00 C ATOM 1388 CG GLU A 87 9.100 3.228 1.115 1.00 0.00 C ATOM 1389 CD GLU A 87 9.907 2.504 0.036 1.00 0.00 C ATOM 1390 OE1 GLU A 87 9.903 2.928 -1.130 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.555 1.467 0.443 1.00 0.00 O ATOM 0 H GLU A 87 6.081 4.031 2.515 1.00 0.00 H new ATOM 0 HA GLU A 87 7.222 4.332 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.422 2.513 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.651 1.673 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.049 4.292 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.605 3.135 2.076 1.00 0.00 H new ATOM 1399 N LYS A 88 4.901 1.992 0.151 1.00 0.00 N ATOM 1400 CA LYS A 88 3.989 1.194 -0.649 1.00 0.00 C ATOM 1401 C LYS A 88 3.026 2.121 -1.394 1.00 0.00 C ATOM 1402 O LYS A 88 2.613 1.823 -2.513 1.00 0.00 O ATOM 1403 CB LYS A 88 3.287 0.148 0.219 1.00 0.00 C ATOM 1404 CG LYS A 88 2.356 0.813 1.235 1.00 0.00 C ATOM 1405 CD LYS A 88 2.838 0.567 2.666 1.00 0.00 C ATOM 1406 CE LYS A 88 2.667 -0.904 3.054 1.00 0.00 C ATOM 1407 NZ LYS A 88 2.799 -1.070 4.520 1.00 0.00 N ATOM 0 H LYS A 88 4.806 1.866 1.159 1.00 0.00 H new ATOM 0 HA LYS A 88 4.539 0.631 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.715 -0.530 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.030 -0.454 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.309 1.885 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.345 0.423 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.887 0.851 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.277 1.197 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.690 -1.262 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.415 -1.511 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.032 -1.679 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.716 -1.508 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.741 -0.140 4.981 1.00 0.00 H new ATOM 1420 N ASN A 89 2.696 3.227 -0.742 1.00 0.00 N ATOM 1421 CA ASN A 89 1.790 4.199 -1.327 1.00 0.00 C ATOM 1422 C ASN A 89 2.488 4.902 -2.494 1.00 0.00 C ATOM 1423 O ASN A 89 3.411 5.688 -2.287 1.00 0.00 O ATOM 1424 CB ASN A 89 1.389 5.264 -0.305 1.00 0.00 C ATOM 1425 CG ASN A 89 0.474 4.675 0.770 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.379 3.472 0.950 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -0.191 5.586 1.473 1.00 0.00 N ATOM 0 H ASN A 89 3.041 3.471 0.187 1.00 0.00 H new ATOM 0 HA ASN A 89 0.899 3.669 -1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.282 5.681 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.881 6.085 -0.810 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.827 5.293 2.215 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -0.065 6.578 1.271 1.00 0.00 H new