USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 473 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 55 GLN : amide:sc= -0.519 X(o=-0.23,f=0.17) USER MOD Set 1.2: A 61 SER OG : rot 71:sc= 0.284 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0412 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-3.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.4!) USER MOD Single : A 57 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.4) USER MOD Single : A 58 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.1!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.2) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc=-0.00104 (180deg=-0.0502) USER MOD Single : A 66 SER OG : rot 8:sc= 0.596 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.304 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.316 -23.819 -10.745 1.00 0.00 N ATOM 2 CA GLY A 1 -20.520 -23.923 -9.536 1.00 0.00 C ATOM 3 C GLY A 1 -19.031 -23.904 -9.818 1.00 0.00 C ATOM 4 O GLY A 1 -18.524 -24.739 -10.567 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.326 -23.837 -10.498 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.094 -22.927 -11.231 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.099 -24.619 -11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.771 -23.099 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.776 -24.845 -9.014 1.00 0.00 H new ATOM 8 N SER A 2 -18.329 -22.949 -9.218 1.00 0.00 N ATOM 9 CA SER A 2 -16.889 -22.822 -9.412 1.00 0.00 C ATOM 10 C SER A 2 -16.296 -21.812 -8.435 1.00 0.00 C ATOM 11 O SER A 2 -16.631 -20.628 -8.469 1.00 0.00 O ATOM 12 CB SER A 2 -16.583 -22.398 -10.850 1.00 0.00 C ATOM 13 OG SER A 2 -15.273 -22.783 -11.228 1.00 0.00 O ATOM 0 H SER A 2 -18.734 -22.251 -8.593 1.00 0.00 H new ATOM 0 HA SER A 2 -16.434 -23.794 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.308 -22.850 -11.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.689 -21.317 -10.944 1.00 0.00 H new ATOM 0 HG SER A 2 -15.103 -22.502 -12.151 1.00 0.00 H new ATOM 19 N SER A 3 -15.411 -22.289 -7.565 1.00 0.00 N ATOM 20 CA SER A 3 -14.773 -21.429 -6.575 1.00 0.00 C ATOM 21 C SER A 3 -13.298 -21.223 -6.904 1.00 0.00 C ATOM 22 O SER A 3 -12.803 -20.097 -6.912 1.00 0.00 O ATOM 23 CB SER A 3 -14.915 -22.034 -5.176 1.00 0.00 C ATOM 24 OG SER A 3 -13.963 -21.483 -4.283 1.00 0.00 O ATOM 0 H SER A 3 -15.120 -23.266 -7.526 1.00 0.00 H new ATOM 0 HA SER A 3 -15.271 -20.460 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.921 -21.852 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.785 -23.115 -5.229 1.00 0.00 H new ATOM 0 HG SER A 3 -14.076 -21.885 -3.396 1.00 0.00 H new ATOM 30 N GLY A 4 -12.600 -22.322 -7.177 1.00 0.00 N ATOM 31 CA GLY A 4 -11.188 -22.241 -7.504 1.00 0.00 C ATOM 32 C GLY A 4 -10.430 -21.315 -6.574 1.00 0.00 C ATOM 33 O GLY A 4 -10.369 -21.550 -5.367 1.00 0.00 O ATOM 0 H GLY A 4 -12.987 -23.266 -7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.749 -23.238 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.075 -21.892 -8.530 1.00 0.00 H new ATOM 37 N SER A 5 -9.848 -20.261 -7.136 1.00 0.00 N ATOM 38 CA SER A 5 -9.085 -19.299 -6.350 1.00 0.00 C ATOM 39 C SER A 5 -9.994 -18.542 -5.386 1.00 0.00 C ATOM 40 O SER A 5 -11.214 -18.704 -5.410 1.00 0.00 O ATOM 41 CB SER A 5 -8.365 -18.312 -7.271 1.00 0.00 C ATOM 42 OG SER A 5 -9.179 -17.959 -8.376 1.00 0.00 O ATOM 0 H SER A 5 -9.890 -20.051 -8.133 1.00 0.00 H new ATOM 0 HA SER A 5 -8.345 -19.848 -5.768 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.098 -17.416 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.435 -18.754 -7.627 1.00 0.00 H new ATOM 0 HG SER A 5 -8.697 -17.326 -8.948 1.00 0.00 H new ATOM 48 N SER A 6 -9.389 -17.716 -4.539 1.00 0.00 N ATOM 49 CA SER A 6 -10.142 -16.936 -3.563 1.00 0.00 C ATOM 50 C SER A 6 -9.707 -15.474 -3.583 1.00 0.00 C ATOM 51 O SER A 6 -8.620 -15.145 -4.055 1.00 0.00 O ATOM 52 CB SER A 6 -9.954 -17.517 -2.160 1.00 0.00 C ATOM 53 OG SER A 6 -10.016 -18.933 -2.182 1.00 0.00 O ATOM 0 H SER A 6 -8.380 -17.569 -4.508 1.00 0.00 H new ATOM 0 HA SER A 6 -11.197 -16.986 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.993 -17.198 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.724 -17.126 -1.495 1.00 0.00 H new ATOM 0 HG SER A 6 -9.891 -19.280 -1.274 1.00 0.00 H new ATOM 59 N GLY A 7 -10.565 -14.600 -3.065 1.00 0.00 N ATOM 60 CA GLY A 7 -10.252 -13.184 -3.033 1.00 0.00 C ATOM 61 C GLY A 7 -10.519 -12.501 -4.360 1.00 0.00 C ATOM 62 O GLY A 7 -9.785 -12.702 -5.326 1.00 0.00 O ATOM 0 H GLY A 7 -11.471 -14.848 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.843 -12.702 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.204 -13.053 -2.765 1.00 0.00 H new ATOM 66 N GLU A 8 -11.573 -11.692 -4.406 1.00 0.00 N ATOM 67 CA GLU A 8 -11.936 -10.980 -5.625 1.00 0.00 C ATOM 68 C GLU A 8 -11.670 -9.484 -5.481 1.00 0.00 C ATOM 69 O GLU A 8 -11.635 -8.953 -4.371 1.00 0.00 O ATOM 70 CB GLU A 8 -13.410 -11.217 -5.962 1.00 0.00 C ATOM 71 CG GLU A 8 -13.915 -10.367 -7.116 1.00 0.00 C ATOM 72 CD GLU A 8 -15.331 -10.722 -7.526 1.00 0.00 C ATOM 73 OE1 GLU A 8 -15.709 -11.904 -7.392 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.061 -9.817 -7.981 1.00 0.00 O ATOM 0 H GLU A 8 -12.190 -11.514 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.319 -11.365 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.553 -12.269 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.014 -11.010 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.876 -9.315 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.251 -10.491 -7.972 1.00 0.00 H new ATOM 81 N ILE A 9 -11.483 -8.811 -6.611 1.00 0.00 N ATOM 82 CA ILE A 9 -11.220 -7.377 -6.611 1.00 0.00 C ATOM 83 C ILE A 9 -12.486 -6.587 -6.299 1.00 0.00 C ATOM 84 O ILE A 9 -13.212 -6.176 -7.203 1.00 0.00 O ATOM 85 CB ILE A 9 -10.657 -6.908 -7.966 1.00 0.00 C ATOM 86 CG1 ILE A 9 -9.488 -7.798 -8.393 1.00 0.00 C ATOM 87 CG2 ILE A 9 -10.219 -5.453 -7.882 1.00 0.00 C ATOM 88 CD1 ILE A 9 -8.983 -7.504 -9.788 1.00 0.00 C ATOM 0 H ILE A 9 -11.509 -9.235 -7.538 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.478 -7.192 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.443 -6.988 -8.717 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.669 -7.673 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.798 -8.842 -8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.823 -5.136 -8.847 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.074 -4.830 -7.618 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.446 -5.349 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.155 -8.172 -10.023 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.788 -7.657 -10.506 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.642 -6.470 -9.841 1.00 0.00 H new ATOM 100 N GLU A 10 -12.743 -6.376 -5.011 1.00 0.00 N ATOM 101 CA GLU A 10 -13.921 -5.633 -4.580 1.00 0.00 C ATOM 102 C GLU A 10 -13.897 -4.209 -5.128 1.00 0.00 C ATOM 103 O GLU A 10 -12.974 -3.823 -5.845 1.00 0.00 O ATOM 104 CB GLU A 10 -14.000 -5.602 -3.052 1.00 0.00 C ATOM 105 CG GLU A 10 -14.231 -6.967 -2.426 1.00 0.00 C ATOM 106 CD GLU A 10 -14.349 -6.904 -0.916 1.00 0.00 C ATOM 107 OE1 GLU A 10 -14.098 -5.822 -0.345 1.00 0.00 O ATOM 108 OE2 GLU A 10 -14.692 -7.938 -0.305 1.00 0.00 O ATOM 0 H GLU A 10 -12.152 -6.709 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.803 -6.140 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.075 -5.183 -2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.806 -4.933 -2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.140 -7.403 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.409 -7.630 -2.695 1.00 0.00 H new ATOM 115 N LYS A 11 -14.920 -3.433 -4.785 1.00 0.00 N ATOM 116 CA LYS A 11 -15.019 -2.051 -5.241 1.00 0.00 C ATOM 117 C LYS A 11 -15.261 -1.107 -4.068 1.00 0.00 C ATOM 118 O LYS A 11 -16.109 -1.365 -3.216 1.00 0.00 O ATOM 119 CB LYS A 11 -16.148 -1.910 -6.265 1.00 0.00 C ATOM 120 CG LYS A 11 -17.354 -2.782 -5.964 1.00 0.00 C ATOM 121 CD LYS A 11 -17.115 -4.225 -6.373 1.00 0.00 C ATOM 122 CE LYS A 11 -18.423 -4.953 -6.640 1.00 0.00 C ATOM 123 NZ LYS A 11 -18.230 -6.427 -6.732 1.00 0.00 N ATOM 0 H LYS A 11 -15.692 -3.738 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.074 -1.781 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.464 -0.868 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.765 -2.163 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.579 -2.738 -4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.226 -2.393 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.493 -4.252 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.564 -4.741 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.132 -4.729 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.860 -4.586 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.145 -6.886 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.573 -6.643 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.837 -6.782 -5.837 1.00 0.00 H new ATOM 137 N GLY A 12 -14.509 -0.011 -4.032 1.00 0.00 N ATOM 138 CA GLY A 12 -14.658 0.956 -2.959 1.00 0.00 C ATOM 139 C GLY A 12 -13.345 1.612 -2.583 1.00 0.00 C ATOM 140 O GLY A 12 -13.318 2.769 -2.165 1.00 0.00 O ATOM 0 H GLY A 12 -13.800 0.225 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.370 1.723 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.077 0.460 -2.083 1.00 0.00 H new ATOM 144 N GLY A 13 -12.251 0.870 -2.729 1.00 0.00 N ATOM 145 CA GLY A 13 -10.943 1.403 -2.395 1.00 0.00 C ATOM 146 C GLY A 13 -10.240 2.008 -3.594 1.00 0.00 C ATOM 147 O GLY A 13 -10.780 2.895 -4.257 1.00 0.00 O ATOM 0 H GLY A 13 -12.247 -0.090 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.050 2.162 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.325 0.607 -1.979 1.00 0.00 H new ATOM 151 N CYS A 14 -9.032 1.530 -3.874 1.00 0.00 N ATOM 152 CA CYS A 14 -8.253 2.031 -5.000 1.00 0.00 C ATOM 153 C CYS A 14 -8.629 1.305 -6.288 1.00 0.00 C ATOM 154 O CYS A 14 -9.288 1.868 -7.161 1.00 0.00 O ATOM 155 CB CYS A 14 -6.757 1.865 -4.725 1.00 0.00 C ATOM 156 SG CYS A 14 -6.091 3.034 -3.498 1.00 0.00 S ATOM 0 H CYS A 14 -8.571 0.796 -3.336 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.478 3.090 -5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.573 0.848 -4.379 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.211 1.987 -5.661 1.00 0.00 H new ATOM 161 N GLY A 15 -8.206 0.049 -6.398 1.00 0.00 N ATOM 162 CA GLY A 15 -8.507 -0.734 -7.582 1.00 0.00 C ATOM 163 C GLY A 15 -7.589 -1.930 -7.736 1.00 0.00 C ATOM 164 O GLY A 15 -7.782 -2.958 -7.086 1.00 0.00 O ATOM 0 H GLY A 15 -7.660 -0.440 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.540 -1.077 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.423 -0.100 -8.464 1.00 0.00 H new ATOM 168 N ASP A 16 -6.587 -1.797 -8.598 1.00 0.00 N ATOM 169 CA ASP A 16 -5.635 -2.876 -8.836 1.00 0.00 C ATOM 170 C ASP A 16 -4.336 -2.334 -9.425 1.00 0.00 C ATOM 171 O ASP A 16 -4.096 -2.403 -10.631 1.00 0.00 O ATOM 172 CB ASP A 16 -6.239 -3.920 -9.776 1.00 0.00 C ATOM 173 CG ASP A 16 -5.193 -4.853 -10.354 1.00 0.00 C ATOM 174 OD1 ASP A 16 -4.320 -5.313 -9.589 1.00 0.00 O ATOM 175 OD2 ASP A 16 -5.248 -5.123 -11.572 1.00 0.00 O ATOM 0 H ASP A 16 -6.413 -0.953 -9.144 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.411 -3.347 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.984 -4.504 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.760 -3.414 -10.589 1.00 0.00 H new ATOM 180 N PRO A 17 -3.477 -1.781 -8.556 1.00 0.00 N ATOM 181 CA PRO A 17 -2.189 -1.216 -8.967 1.00 0.00 C ATOM 182 C PRO A 17 -1.200 -2.289 -9.411 1.00 0.00 C ATOM 183 O PRO A 17 -0.130 -1.982 -9.934 1.00 0.00 O ATOM 184 CB PRO A 17 -1.687 -0.518 -7.700 1.00 0.00 C ATOM 185 CG PRO A 17 -2.354 -1.240 -6.581 1.00 0.00 C ATOM 186 CD PRO A 17 -3.698 -1.665 -7.104 1.00 0.00 C ATOM 0 HA PRO A 17 -2.291 -0.551 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.602 -0.578 -7.619 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.949 0.540 -7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.766 -2.103 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.461 -0.595 -5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.017 -2.612 -6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.470 -0.931 -6.872 1.00 0.00 H new ATOM 194 N GLY A 18 -1.568 -3.549 -9.200 1.00 0.00 N ATOM 195 CA GLY A 18 -0.702 -4.649 -9.585 1.00 0.00 C ATOM 196 C GLY A 18 0.489 -4.800 -8.660 1.00 0.00 C ATOM 197 O GLY A 18 0.585 -4.112 -7.643 1.00 0.00 O ATOM 0 H GLY A 18 -2.450 -3.828 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.276 -5.576 -9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.349 -4.490 -10.604 1.00 0.00 H new ATOM 201 N ILE A 19 1.398 -5.703 -9.011 1.00 0.00 N ATOM 202 CA ILE A 19 2.588 -5.943 -8.204 1.00 0.00 C ATOM 203 C ILE A 19 3.855 -5.587 -8.974 1.00 0.00 C ATOM 204 O ILE A 19 3.990 -5.876 -10.164 1.00 0.00 O ATOM 205 CB ILE A 19 2.673 -7.412 -7.749 1.00 0.00 C ATOM 206 CG1 ILE A 19 1.456 -7.775 -6.895 1.00 0.00 C ATOM 207 CG2 ILE A 19 3.960 -7.652 -6.975 1.00 0.00 C ATOM 208 CD1 ILE A 19 0.172 -7.880 -7.688 1.00 0.00 C ATOM 0 H ILE A 19 1.333 -6.281 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 19 2.508 -5.303 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 19 2.678 -8.051 -8.632 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.643 -8.725 -6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.332 -7.023 -6.115 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.006 -8.694 -6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.815 -7.427 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.982 -7.006 -6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.648 -8.140 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.039 -6.924 -8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.277 -8.652 -8.450 1.00 0.00 H new ATOM 220 N PRO A 20 4.808 -4.946 -8.282 1.00 0.00 N ATOM 221 CA PRO A 20 6.083 -4.539 -8.880 1.00 0.00 C ATOM 222 C PRO A 20 6.980 -5.730 -9.200 1.00 0.00 C ATOM 223 O PRO A 20 6.897 -6.773 -8.553 1.00 0.00 O ATOM 224 CB PRO A 20 6.721 -3.666 -7.796 1.00 0.00 C ATOM 225 CG PRO A 20 6.116 -4.144 -6.521 1.00 0.00 C ATOM 226 CD PRO A 20 4.715 -4.570 -6.861 1.00 0.00 C ATOM 0 HA PRO A 20 5.941 -4.026 -9.831 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.805 -3.777 -7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.510 -2.610 -7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.686 -4.975 -6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.112 -3.354 -5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.389 -5.407 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.000 -3.762 -6.705 1.00 0.00 H new ATOM 234 N ALA A 21 7.837 -5.567 -10.202 1.00 0.00 N ATOM 235 CA ALA A 21 8.751 -6.628 -10.607 1.00 0.00 C ATOM 236 C ALA A 21 9.458 -7.233 -9.399 1.00 0.00 C ATOM 237 O ALA A 21 9.709 -6.549 -8.406 1.00 0.00 O ATOM 238 CB ALA A 21 9.768 -6.097 -11.605 1.00 0.00 C ATOM 0 H ALA A 21 7.918 -4.710 -10.749 1.00 0.00 H new ATOM 0 HA ALA A 21 8.167 -7.414 -11.085 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.444 -6.900 -11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.250 -5.719 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.341 -5.291 -11.147 1.00 0.00 H new ATOM 244 N TYR A 22 9.777 -8.520 -9.489 1.00 0.00 N ATOM 245 CA TYR A 22 10.453 -9.217 -8.401 1.00 0.00 C ATOM 246 C TYR A 22 9.967 -8.714 -7.046 1.00 0.00 C ATOM 247 O TYR A 22 10.761 -8.293 -6.206 1.00 0.00 O ATOM 248 CB TYR A 22 11.967 -9.034 -8.513 1.00 0.00 C ATOM 249 CG TYR A 22 12.600 -9.868 -9.604 1.00 0.00 C ATOM 250 CD1 TYR A 22 12.883 -11.213 -9.401 1.00 0.00 C ATOM 251 CD2 TYR A 22 12.914 -9.312 -10.838 1.00 0.00 C ATOM 252 CE1 TYR A 22 13.461 -11.979 -10.395 1.00 0.00 C ATOM 253 CE2 TYR A 22 13.491 -10.071 -11.838 1.00 0.00 C ATOM 254 CZ TYR A 22 13.763 -11.404 -11.611 1.00 0.00 C ATOM 255 OH TYR A 22 14.339 -12.163 -12.604 1.00 0.00 O ATOM 0 H TYR A 22 9.578 -9.101 -10.303 1.00 0.00 H new ATOM 0 HA TYR A 22 10.215 -10.278 -8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 22 12.184 -7.982 -8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 22 12.427 -9.290 -7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 22 12.647 -11.667 -8.450 1.00 0.00 H new ATOM 0 HD2 TYR A 22 12.703 -8.268 -11.019 1.00 0.00 H new ATOM 0 HE1 TYR A 22 13.675 -13.023 -10.220 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.728 -9.623 -12.792 1.00 0.00 H new ATOM 0 HH TYR A 22 14.486 -11.607 -13.397 1.00 0.00 H new ATOM 265 N GLY A 23 8.654 -8.761 -6.840 1.00 0.00 N ATOM 266 CA GLY A 23 8.083 -8.308 -5.585 1.00 0.00 C ATOM 267 C GLY A 23 6.772 -8.997 -5.262 1.00 0.00 C ATOM 268 O GLY A 23 6.182 -9.657 -6.117 1.00 0.00 O ATOM 0 H GLY A 23 7.976 -9.105 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.794 -8.490 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.922 -7.231 -5.630 1.00 0.00 H new ATOM 272 N LYS A 24 6.315 -8.844 -4.024 1.00 0.00 N ATOM 273 CA LYS A 24 5.065 -9.456 -3.589 1.00 0.00 C ATOM 274 C LYS A 24 4.234 -8.474 -2.770 1.00 0.00 C ATOM 275 O LYS A 24 4.774 -7.687 -1.992 1.00 0.00 O ATOM 276 CB LYS A 24 5.349 -10.713 -2.763 1.00 0.00 C ATOM 277 CG LYS A 24 4.149 -11.204 -1.971 1.00 0.00 C ATOM 278 CD LYS A 24 4.356 -12.624 -1.469 1.00 0.00 C ATOM 279 CE LYS A 24 4.341 -13.627 -2.612 1.00 0.00 C ATOM 280 NZ LYS A 24 4.215 -15.027 -2.120 1.00 0.00 N ATOM 0 H LYS A 24 6.792 -8.301 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 24 4.497 -9.733 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.684 -11.508 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.169 -10.508 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.974 -10.540 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.258 -11.165 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.306 -12.689 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.574 -12.875 -0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.511 -13.402 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.257 -13.528 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.209 -15.680 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.020 -15.251 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.328 -15.129 -1.586 1.00 0.00 H new ATOM 294 N ARG A 25 2.918 -8.525 -2.949 1.00 0.00 N ATOM 295 CA ARG A 25 2.013 -7.640 -2.227 1.00 0.00 C ATOM 296 C ARG A 25 1.206 -8.416 -1.189 1.00 0.00 C ATOM 297 O ARG A 25 1.052 -9.633 -1.290 1.00 0.00 O ATOM 298 CB ARG A 25 1.067 -6.936 -3.201 1.00 0.00 C ATOM 299 CG ARG A 25 -0.035 -7.835 -3.736 1.00 0.00 C ATOM 300 CD ARG A 25 -1.179 -7.023 -4.324 1.00 0.00 C ATOM 301 NE ARG A 25 -1.944 -7.787 -5.306 1.00 0.00 N ATOM 302 CZ ARG A 25 -2.706 -8.830 -4.995 1.00 0.00 C ATOM 303 NH1 ARG A 25 -2.804 -9.231 -3.735 1.00 0.00 N ATOM 304 NH2 ARG A 25 -3.371 -9.474 -5.946 1.00 0.00 N ATOM 0 H ARG A 25 2.455 -9.171 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 25 2.614 -6.892 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.615 -6.080 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.645 -6.547 -4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.373 -8.497 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.412 -8.468 -2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.842 -6.697 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.781 -6.124 -4.794 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.890 -7.504 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.294 -8.738 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.390 -10.032 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.297 -9.168 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.956 -10.275 -5.707 1.00 0.00 H new ATOM 318 N THR A 26 0.694 -7.703 -0.191 1.00 0.00 N ATOM 319 CA THR A 26 -0.095 -8.323 0.866 1.00 0.00 C ATOM 320 C THR A 26 -1.537 -7.830 0.837 1.00 0.00 C ATOM 321 O THR A 26 -1.792 -6.627 0.873 1.00 0.00 O ATOM 322 CB THR A 26 0.506 -8.040 2.255 1.00 0.00 C ATOM 323 OG1 THR A 26 1.913 -8.305 2.245 1.00 0.00 O ATOM 324 CG2 THR A 26 -0.168 -8.892 3.320 1.00 0.00 C ATOM 0 H THR A 26 0.812 -6.695 -0.093 1.00 0.00 H new ATOM 0 HA THR A 26 -0.078 -9.398 0.684 1.00 0.00 H new ATOM 0 HB THR A 26 0.337 -6.989 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.287 -8.121 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.273 -8.675 4.293 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.234 -8.666 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.027 -9.947 3.085 1.00 0.00 H new ATOM 332 N GLY A 27 -2.477 -8.768 0.773 1.00 0.00 N ATOM 333 CA GLY A 27 -3.883 -8.408 0.742 1.00 0.00 C ATOM 334 C GLY A 27 -4.462 -8.455 -0.658 1.00 0.00 C ATOM 335 O GLY A 27 -3.924 -7.843 -1.581 1.00 0.00 O ATOM 0 H GLY A 27 -2.290 -9.770 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.443 -9.086 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.007 -7.405 1.150 1.00 0.00 H new ATOM 339 N SER A 28 -5.561 -9.185 -0.818 1.00 0.00 N ATOM 340 CA SER A 28 -6.211 -9.315 -2.117 1.00 0.00 C ATOM 341 C SER A 28 -7.408 -8.375 -2.222 1.00 0.00 C ATOM 342 O SER A 28 -8.205 -8.468 -3.155 1.00 0.00 O ATOM 343 CB SER A 28 -6.661 -10.759 -2.344 1.00 0.00 C ATOM 344 OG SER A 28 -7.168 -11.329 -1.150 1.00 0.00 O ATOM 0 H SER A 28 -6.020 -9.696 -0.064 1.00 0.00 H new ATOM 0 HA SER A 28 -5.488 -9.042 -2.886 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.428 -10.787 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.821 -11.352 -2.706 1.00 0.00 H new ATOM 0 HG SER A 28 -7.450 -12.251 -1.322 1.00 0.00 H new ATOM 350 N SER A 29 -7.528 -7.469 -1.256 1.00 0.00 N ATOM 351 CA SER A 29 -8.629 -6.514 -1.236 1.00 0.00 C ATOM 352 C SER A 29 -8.113 -5.094 -1.024 1.00 0.00 C ATOM 353 O SER A 29 -7.181 -4.868 -0.252 1.00 0.00 O ATOM 354 CB SER A 29 -9.626 -6.876 -0.134 1.00 0.00 C ATOM 355 OG SER A 29 -10.551 -7.851 -0.583 1.00 0.00 O ATOM 0 H SER A 29 -6.876 -7.377 -0.477 1.00 0.00 H new ATOM 0 HA SER A 29 -9.133 -6.558 -2.201 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.089 -7.253 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.161 -5.982 0.184 1.00 0.00 H new ATOM 0 HG SER A 29 -11.176 -8.066 0.140 1.00 0.00 H new ATOM 361 N PHE A 30 -8.726 -4.139 -1.716 1.00 0.00 N ATOM 362 CA PHE A 30 -8.329 -2.740 -1.606 1.00 0.00 C ATOM 363 C PHE A 30 -9.540 -1.850 -1.344 1.00 0.00 C ATOM 364 O PHE A 30 -10.351 -1.607 -2.239 1.00 0.00 O ATOM 365 CB PHE A 30 -7.615 -2.288 -2.882 1.00 0.00 C ATOM 366 CG PHE A 30 -6.861 -3.390 -3.569 1.00 0.00 C ATOM 367 CD1 PHE A 30 -5.614 -3.785 -3.111 1.00 0.00 C ATOM 368 CD2 PHE A 30 -7.399 -4.031 -4.674 1.00 0.00 C ATOM 369 CE1 PHE A 30 -4.918 -4.799 -3.742 1.00 0.00 C ATOM 370 CE2 PHE A 30 -6.707 -5.046 -5.307 1.00 0.00 C ATOM 371 CZ PHE A 30 -5.464 -5.429 -4.842 1.00 0.00 C ATOM 0 H PHE A 30 -9.500 -4.308 -2.359 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.644 -2.648 -0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.350 -1.876 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.922 -1.483 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.181 -3.295 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.369 -3.734 -5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.948 -5.098 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.138 -5.540 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.921 -6.220 -5.338 1.00 0.00 H new ATOM 381 N LEU A 31 -9.656 -1.366 -0.113 1.00 0.00 N ATOM 382 CA LEU A 31 -10.769 -0.503 0.269 1.00 0.00 C ATOM 383 C LEU A 31 -10.274 0.893 0.634 1.00 0.00 C ATOM 384 O LEU A 31 -9.071 1.126 0.749 1.00 0.00 O ATOM 385 CB LEU A 31 -11.531 -1.111 1.447 1.00 0.00 C ATOM 386 CG LEU A 31 -12.577 -2.170 1.096 1.00 0.00 C ATOM 387 CD1 LEU A 31 -13.088 -2.854 2.354 1.00 0.00 C ATOM 388 CD2 LEU A 31 -13.728 -1.546 0.320 1.00 0.00 C ATOM 0 H LEU A 31 -8.993 -1.556 0.638 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.441 -0.419 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.808 -1.556 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.027 -0.305 1.988 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.106 -2.923 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.831 -3.604 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.257 -3.336 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.543 -2.113 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.463 -2.314 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.198 -0.772 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.349 -1.105 -0.602 1.00 0.00 H new ATOM 400 N HIS A 32 -11.211 1.818 0.817 1.00 0.00 N ATOM 401 CA HIS A 32 -10.871 3.191 1.172 1.00 0.00 C ATOM 402 C HIS A 32 -10.160 3.243 2.521 1.00 0.00 C ATOM 403 O HIS A 32 -10.726 2.867 3.547 1.00 0.00 O ATOM 404 CB HIS A 32 -12.130 4.057 1.212 1.00 0.00 C ATOM 405 CG HIS A 32 -12.542 4.578 -0.130 1.00 0.00 C ATOM 406 ND1 HIS A 32 -13.853 4.849 -0.462 1.00 0.00 N ATOM 407 CD2 HIS A 32 -11.808 4.879 -1.226 1.00 0.00 C ATOM 408 CE1 HIS A 32 -13.907 5.293 -1.705 1.00 0.00 C ATOM 409 NE2 HIS A 32 -12.679 5.321 -2.191 1.00 0.00 N ATOM 0 H HIS A 32 -12.211 1.642 0.725 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.196 3.581 0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.949 3.474 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.961 4.899 1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.736 4.788 -1.324 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.803 5.584 -2.234 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -12.420 5.622 -3.130 1.00 0.00 H new ATOM 417 N GLY A 33 -8.916 3.711 2.512 1.00 0.00 N ATOM 418 CA GLY A 33 -8.148 3.803 3.740 1.00 0.00 C ATOM 419 C GLY A 33 -7.197 2.636 3.917 1.00 0.00 C ATOM 420 O GLY A 33 -6.211 2.736 4.647 1.00 0.00 O ATOM 0 H GLY A 33 -8.426 4.028 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.581 4.734 3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.830 3.844 4.589 1.00 0.00 H new ATOM 424 N ASP A 34 -7.493 1.526 3.250 1.00 0.00 N ATOM 425 CA ASP A 34 -6.657 0.335 3.337 1.00 0.00 C ATOM 426 C ASP A 34 -5.206 0.663 2.999 1.00 0.00 C ATOM 427 O ASP A 34 -4.884 1.791 2.622 1.00 0.00 O ATOM 428 CB ASP A 34 -7.180 -0.751 2.396 1.00 0.00 C ATOM 429 CG ASP A 34 -6.790 -2.145 2.848 1.00 0.00 C ATOM 430 OD1 ASP A 34 -6.731 -2.377 4.073 1.00 0.00 O ATOM 431 OD2 ASP A 34 -6.543 -3.004 1.975 1.00 0.00 O ATOM 0 H ASP A 34 -8.306 1.426 2.643 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.698 -0.033 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.266 -0.683 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.792 -0.576 1.392 1.00 0.00 H new ATOM 436 N THR A 35 -4.332 -0.329 3.136 1.00 0.00 N ATOM 437 CA THR A 35 -2.916 -0.146 2.847 1.00 0.00 C ATOM 438 C THR A 35 -2.308 -1.410 2.250 1.00 0.00 C ATOM 439 O THR A 35 -2.600 -2.522 2.695 1.00 0.00 O ATOM 440 CB THR A 35 -2.129 0.238 4.114 1.00 0.00 C ATOM 441 OG1 THR A 35 -2.590 -0.533 5.230 1.00 0.00 O ATOM 442 CG2 THR A 35 -2.283 1.721 4.418 1.00 0.00 C ATOM 0 H THR A 35 -4.581 -1.268 3.446 1.00 0.00 H new ATOM 0 HA THR A 35 -2.844 0.666 2.123 1.00 0.00 H new ATOM 0 HB THR A 35 -1.074 0.027 3.938 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.083 -0.284 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.719 1.969 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.905 2.306 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.336 1.953 4.576 1.00 0.00 H new ATOM 450 N LEU A 36 -1.463 -1.235 1.241 1.00 0.00 N ATOM 451 CA LEU A 36 -0.813 -2.363 0.582 1.00 0.00 C ATOM 452 C LEU A 36 0.693 -2.342 0.827 1.00 0.00 C ATOM 453 O LEU A 36 1.396 -1.441 0.367 1.00 0.00 O ATOM 454 CB LEU A 36 -1.097 -2.334 -0.921 1.00 0.00 C ATOM 455 CG LEU A 36 -2.395 -3.005 -1.371 1.00 0.00 C ATOM 456 CD1 LEU A 36 -2.478 -3.043 -2.889 1.00 0.00 C ATOM 457 CD2 LEU A 36 -2.497 -4.410 -0.795 1.00 0.00 C ATOM 0 H LEU A 36 -1.211 -0.323 0.861 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.219 -3.282 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.117 -1.294 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.265 -2.814 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.233 -2.418 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.408 -3.524 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.452 -2.026 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.633 -3.606 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.427 -4.872 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.653 -5.007 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.485 -4.359 0.294 1.00 0.00 H new ATOM 469 N THR A 37 1.183 -3.343 1.552 1.00 0.00 N ATOM 470 CA THR A 37 2.605 -3.440 1.857 1.00 0.00 C ATOM 471 C THR A 37 3.349 -4.205 0.768 1.00 0.00 C ATOM 472 O THR A 37 2.906 -5.265 0.326 1.00 0.00 O ATOM 473 CB THR A 37 2.842 -4.136 3.211 1.00 0.00 C ATOM 474 OG1 THR A 37 2.115 -3.461 4.243 1.00 0.00 O ATOM 475 CG2 THR A 37 4.324 -4.155 3.557 1.00 0.00 C ATOM 0 H THR A 37 0.616 -4.098 1.939 1.00 0.00 H new ATOM 0 HA THR A 37 2.989 -2.421 1.908 1.00 0.00 H new ATOM 0 HB THR A 37 2.490 -5.164 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.270 -3.911 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.467 -4.651 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.871 -4.695 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.697 -3.132 3.618 1.00 0.00 H new ATOM 483 N PHE A 38 4.484 -3.660 0.340 1.00 0.00 N ATOM 484 CA PHE A 38 5.290 -4.291 -0.698 1.00 0.00 C ATOM 485 C PHE A 38 6.680 -4.637 -0.172 1.00 0.00 C ATOM 486 O PHE A 38 7.307 -3.839 0.524 1.00 0.00 O ATOM 487 CB PHE A 38 5.407 -3.369 -1.913 1.00 0.00 C ATOM 488 CG PHE A 38 4.086 -3.051 -2.554 1.00 0.00 C ATOM 489 CD1 PHE A 38 3.277 -2.049 -2.043 1.00 0.00 C ATOM 490 CD2 PHE A 38 3.654 -3.754 -3.667 1.00 0.00 C ATOM 491 CE1 PHE A 38 2.061 -1.755 -2.630 1.00 0.00 C ATOM 492 CE2 PHE A 38 2.439 -3.464 -4.259 1.00 0.00 C ATOM 493 CZ PHE A 38 1.642 -2.462 -3.740 1.00 0.00 C ATOM 0 H PHE A 38 4.865 -2.784 0.696 1.00 0.00 H new ATOM 0 HA PHE A 38 4.794 -5.214 -0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.887 -2.439 -1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.057 -3.836 -2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.600 -1.492 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.274 -4.538 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.439 -0.973 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.113 -4.020 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.693 -2.232 -4.201 1.00 0.00 H new ATOM 503 N GLU A 39 7.154 -5.832 -0.509 1.00 0.00 N ATOM 504 CA GLU A 39 8.469 -6.284 -0.070 1.00 0.00 C ATOM 505 C GLU A 39 9.246 -6.903 -1.228 1.00 0.00 C ATOM 506 O GLU A 39 8.664 -7.316 -2.231 1.00 0.00 O ATOM 507 CB GLU A 39 8.330 -7.300 1.066 1.00 0.00 C ATOM 508 CG GLU A 39 7.616 -8.577 0.657 1.00 0.00 C ATOM 509 CD GLU A 39 7.521 -9.580 1.790 1.00 0.00 C ATOM 510 OE1 GLU A 39 8.571 -10.119 2.197 1.00 0.00 O ATOM 511 OE2 GLU A 39 6.394 -9.827 2.271 1.00 0.00 O ATOM 0 H GLU A 39 6.647 -6.505 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 39 9.021 -5.417 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.322 -7.552 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.787 -6.838 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.613 -8.332 0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.143 -9.031 -0.182 1.00 0.00 H new ATOM 518 N CYS A 40 10.566 -6.964 -1.081 1.00 0.00 N ATOM 519 CA CYS A 40 11.425 -7.531 -2.114 1.00 0.00 C ATOM 520 C CYS A 40 12.230 -8.706 -1.566 1.00 0.00 C ATOM 521 O CYS A 40 12.601 -8.743 -0.393 1.00 0.00 O ATOM 522 CB CYS A 40 12.371 -6.461 -2.663 1.00 0.00 C ATOM 523 SG CYS A 40 11.525 -5.012 -3.371 1.00 0.00 S ATOM 0 H CYS A 40 11.064 -6.628 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 40 10.790 -7.894 -2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 40 13.030 -6.128 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.003 -6.909 -3.429 1.00 0.00 H new ATOM 528 N PRO A 41 12.508 -9.689 -2.435 1.00 0.00 N ATOM 529 CA PRO A 41 13.272 -10.883 -2.062 1.00 0.00 C ATOM 530 C PRO A 41 14.741 -10.571 -1.796 1.00 0.00 C ATOM 531 O PRO A 41 15.121 -9.410 -1.647 1.00 0.00 O ATOM 532 CB PRO A 41 13.132 -11.790 -3.287 1.00 0.00 C ATOM 533 CG PRO A 41 12.880 -10.859 -4.422 1.00 0.00 C ATOM 534 CD PRO A 41 12.097 -9.710 -3.849 1.00 0.00 C ATOM 0 HA PRO A 41 12.904 -11.330 -1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.036 -12.377 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.311 -12.496 -3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.817 -10.513 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.322 -11.354 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.335 -8.772 -4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.023 -9.864 -3.953 1.00 0.00 H new ATOM 542 N ALA A 42 15.561 -11.615 -1.738 1.00 0.00 N ATOM 543 CA ALA A 42 16.989 -11.451 -1.492 1.00 0.00 C ATOM 544 C ALA A 42 17.688 -10.844 -2.703 1.00 0.00 C ATOM 545 O ALA A 42 17.157 -10.861 -3.812 1.00 0.00 O ATOM 546 CB ALA A 42 17.619 -12.788 -1.132 1.00 0.00 C ATOM 0 H ALA A 42 15.262 -12.583 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 42 17.112 -10.766 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 42 18.685 -12.651 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 42 17.146 -13.183 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.478 -13.490 -1.954 1.00 0.00 H new ATOM 552 N ALA A 43 18.883 -10.306 -2.482 1.00 0.00 N ATOM 553 CA ALA A 43 19.656 -9.694 -3.556 1.00 0.00 C ATOM 554 C ALA A 43 18.875 -8.565 -4.220 1.00 0.00 C ATOM 555 O ALA A 43 18.891 -8.422 -5.443 1.00 0.00 O ATOM 556 CB ALA A 43 20.051 -10.742 -4.585 1.00 0.00 C ATOM 0 H ALA A 43 19.337 -10.282 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 43 20.561 -9.268 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 43 20.628 -10.271 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 43 20.655 -11.512 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 43 19.153 -11.195 -5.006 1.00 0.00 H new ATOM 562 N PHE A 44 18.191 -7.767 -3.407 1.00 0.00 N ATOM 563 CA PHE A 44 17.402 -6.652 -3.917 1.00 0.00 C ATOM 564 C PHE A 44 17.299 -5.539 -2.878 1.00 0.00 C ATOM 565 O PHE A 44 17.792 -5.673 -1.759 1.00 0.00 O ATOM 566 CB PHE A 44 16.002 -7.128 -4.311 1.00 0.00 C ATOM 567 CG PHE A 44 15.922 -7.654 -5.716 1.00 0.00 C ATOM 568 CD1 PHE A 44 16.040 -6.797 -6.798 1.00 0.00 C ATOM 569 CD2 PHE A 44 15.728 -9.005 -5.954 1.00 0.00 C ATOM 570 CE1 PHE A 44 15.966 -7.278 -8.092 1.00 0.00 C ATOM 571 CE2 PHE A 44 15.654 -9.492 -7.245 1.00 0.00 C ATOM 572 CZ PHE A 44 15.772 -8.627 -8.316 1.00 0.00 C ATOM 0 H PHE A 44 18.167 -7.872 -2.393 1.00 0.00 H new ATOM 0 HA PHE A 44 17.905 -6.257 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.685 -7.909 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 44 15.301 -6.301 -4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 44 16.192 -5.741 -6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 44 15.633 -9.685 -5.121 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.060 -6.599 -8.927 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.504 -10.548 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.713 -9.005 -9.326 1.00 0.00 H new ATOM 582 N GLU A 45 16.654 -4.440 -3.259 1.00 0.00 N ATOM 583 CA GLU A 45 16.488 -3.303 -2.361 1.00 0.00 C ATOM 584 C GLU A 45 15.177 -2.574 -2.643 1.00 0.00 C ATOM 585 O GLU A 45 14.797 -2.382 -3.799 1.00 0.00 O ATOM 586 CB GLU A 45 17.664 -2.335 -2.504 1.00 0.00 C ATOM 587 CG GLU A 45 17.968 -1.555 -1.235 1.00 0.00 C ATOM 588 CD GLU A 45 19.171 -0.644 -1.385 1.00 0.00 C ATOM 589 OE1 GLU A 45 20.310 -1.153 -1.345 1.00 0.00 O ATOM 590 OE2 GLU A 45 18.972 0.579 -1.544 1.00 0.00 O ATOM 0 H GLU A 45 16.239 -4.313 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 45 16.461 -3.681 -1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.552 -2.896 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.450 -1.633 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.097 -0.959 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.145 -2.253 -0.417 1.00 0.00 H new ATOM 597 N LEU A 46 14.491 -2.170 -1.580 1.00 0.00 N ATOM 598 CA LEU A 46 13.222 -1.462 -1.712 1.00 0.00 C ATOM 599 C LEU A 46 13.441 -0.044 -2.229 1.00 0.00 C ATOM 600 O LEU A 46 14.064 0.782 -1.562 1.00 0.00 O ATOM 601 CB LEU A 46 12.496 -1.420 -0.366 1.00 0.00 C ATOM 602 CG LEU A 46 11.124 -0.746 -0.364 1.00 0.00 C ATOM 603 CD1 LEU A 46 10.032 -1.759 -0.673 1.00 0.00 C ATOM 604 CD2 LEU A 46 10.864 -0.069 0.973 1.00 0.00 C ATOM 0 H LEU A 46 14.792 -2.320 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 46 12.607 -2.001 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.377 -2.443 -0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.133 -0.904 0.352 1.00 0.00 H new ATOM 0 HG LEU A 46 11.114 0.017 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.062 -1.262 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.209 -2.197 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.041 -2.545 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.883 0.405 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.894 -0.813 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.629 0.686 1.153 1.00 0.00 H new ATOM 616 N VAL A 47 12.923 0.232 -3.422 1.00 0.00 N ATOM 617 CA VAL A 47 13.058 1.551 -4.028 1.00 0.00 C ATOM 618 C VAL A 47 11.694 2.161 -4.328 1.00 0.00 C ATOM 619 O VAL A 47 11.185 2.053 -5.443 1.00 0.00 O ATOM 620 CB VAL A 47 13.878 1.489 -5.330 1.00 0.00 C ATOM 621 CG1 VAL A 47 14.170 2.890 -5.845 1.00 0.00 C ATOM 622 CG2 VAL A 47 15.169 0.714 -5.110 1.00 0.00 C ATOM 0 H VAL A 47 12.406 -0.441 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 47 13.582 2.178 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 47 13.290 0.966 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 47 14.750 2.826 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.232 3.408 -6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 47 14.738 3.442 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.736 0.680 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.763 1.207 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.934 -0.301 -4.791 1.00 0.00 H new ATOM 632 N GLY A 48 11.105 2.804 -3.324 1.00 0.00 N ATOM 633 CA GLY A 48 9.804 3.423 -3.501 1.00 0.00 C ATOM 634 C GLY A 48 8.997 3.453 -2.218 1.00 0.00 C ATOM 635 O GLY A 48 9.557 3.388 -1.124 1.00 0.00 O ATOM 0 H GLY A 48 11.505 2.907 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.936 4.441 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.247 2.879 -4.264 1.00 0.00 H new ATOM 639 N GLU A 49 7.678 3.552 -2.352 1.00 0.00 N ATOM 640 CA GLU A 49 6.794 3.593 -1.193 1.00 0.00 C ATOM 641 C GLU A 49 6.454 2.184 -0.718 1.00 0.00 C ATOM 642 O GLU A 49 5.595 1.515 -1.291 1.00 0.00 O ATOM 643 CB GLU A 49 5.510 4.354 -1.530 1.00 0.00 C ATOM 644 CG GLU A 49 5.754 5.760 -2.052 1.00 0.00 C ATOM 645 CD GLU A 49 5.805 6.793 -0.943 1.00 0.00 C ATOM 646 OE1 GLU A 49 4.999 6.686 0.005 1.00 0.00 O ATOM 647 OE2 GLU A 49 6.651 7.708 -1.023 1.00 0.00 O ATOM 0 H GLU A 49 7.199 3.605 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 49 7.315 4.113 -0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.949 3.791 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.886 4.410 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.693 5.780 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.964 6.025 -2.754 1.00 0.00 H new ATOM 654 N ARG A 50 7.135 1.740 0.333 1.00 0.00 N ATOM 655 CA ARG A 50 6.907 0.410 0.885 1.00 0.00 C ATOM 656 C ARG A 50 5.414 0.133 1.038 1.00 0.00 C ATOM 657 O ARG A 50 4.927 -0.931 0.655 1.00 0.00 O ATOM 658 CB ARG A 50 7.604 0.269 2.240 1.00 0.00 C ATOM 659 CG ARG A 50 6.782 0.796 3.405 1.00 0.00 C ATOM 660 CD ARG A 50 7.460 0.516 4.737 1.00 0.00 C ATOM 661 NE ARG A 50 6.496 0.390 5.826 1.00 0.00 N ATOM 662 CZ ARG A 50 6.814 0.525 7.109 1.00 0.00 C ATOM 663 NH1 ARG A 50 8.065 0.789 7.460 1.00 0.00 N ATOM 664 NH2 ARG A 50 5.880 0.397 8.043 1.00 0.00 N ATOM 0 H ARG A 50 7.849 2.282 0.819 1.00 0.00 H new ATOM 0 HA ARG A 50 7.326 -0.319 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.833 -0.782 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.555 0.801 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.633 1.870 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.795 0.334 3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.043 -0.402 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.160 1.320 4.964 1.00 0.00 H new ATOM 0 HE ARG A 50 5.525 0.187 5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.785 0.889 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.307 0.892 8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.916 0.195 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.126 0.501 9.028 1.00 0.00 H new ATOM 678 N VAL A 51 4.693 1.098 1.601 1.00 0.00 N ATOM 679 CA VAL A 51 3.256 0.959 1.804 1.00 0.00 C ATOM 680 C VAL A 51 2.521 2.237 1.418 1.00 0.00 C ATOM 681 O VAL A 51 2.890 3.331 1.846 1.00 0.00 O ATOM 682 CB VAL A 51 2.927 0.613 3.268 1.00 0.00 C ATOM 683 CG1 VAL A 51 3.498 1.665 4.207 1.00 0.00 C ATOM 684 CG2 VAL A 51 1.424 0.475 3.458 1.00 0.00 C ATOM 0 H VAL A 51 5.081 1.984 1.924 1.00 0.00 H new ATOM 0 HA VAL A 51 2.923 0.143 1.162 1.00 0.00 H new ATOM 0 HB VAL A 51 3.390 -0.344 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.255 1.403 5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.581 1.709 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.068 2.638 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.210 0.230 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.937 1.415 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.047 -0.319 2.814 1.00 0.00 H new ATOM 694 N ILE A 52 1.478 2.091 0.607 1.00 0.00 N ATOM 695 CA ILE A 52 0.690 3.234 0.164 1.00 0.00 C ATOM 696 C ILE A 52 -0.677 3.254 0.841 1.00 0.00 C ATOM 697 O ILE A 52 -1.121 2.251 1.400 1.00 0.00 O ATOM 698 CB ILE A 52 0.493 3.226 -1.363 1.00 0.00 C ATOM 699 CG1 ILE A 52 0.331 1.791 -1.870 1.00 0.00 C ATOM 700 CG2 ILE A 52 1.667 3.907 -2.052 1.00 0.00 C ATOM 701 CD1 ILE A 52 0.148 1.697 -3.369 1.00 0.00 C ATOM 0 H ILE A 52 1.160 1.193 0.244 1.00 0.00 H new ATOM 0 HA ILE A 52 1.247 4.128 0.445 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.415 3.781 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.208 1.211 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.528 1.335 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.513 3.893 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.741 4.939 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.588 3.377 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.040 0.651 -3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.745 2.249 -3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.018 2.123 -3.869 1.00 0.00 H new ATOM 713 N THR A 53 -1.342 4.404 0.786 1.00 0.00 N ATOM 714 CA THR A 53 -2.658 4.556 1.392 1.00 0.00 C ATOM 715 C THR A 53 -3.691 4.999 0.362 1.00 0.00 C ATOM 716 O THR A 53 -3.443 5.912 -0.427 1.00 0.00 O ATOM 717 CB THR A 53 -2.631 5.575 2.546 1.00 0.00 C ATOM 718 OG1 THR A 53 -1.618 5.217 3.492 1.00 0.00 O ATOM 719 CG2 THR A 53 -3.982 5.641 3.243 1.00 0.00 C ATOM 0 H THR A 53 -0.990 5.244 0.327 1.00 0.00 H new ATOM 0 HA THR A 53 -2.938 3.579 1.786 1.00 0.00 H new ATOM 0 HB THR A 53 -2.407 6.557 2.128 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.606 5.871 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.938 6.368 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.746 5.943 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.231 4.660 3.648 1.00 0.00 H new ATOM 727 N CYS A 54 -4.849 4.348 0.374 1.00 0.00 N ATOM 728 CA CYS A 54 -5.920 4.675 -0.560 1.00 0.00 C ATOM 729 C CYS A 54 -6.609 5.977 -0.163 1.00 0.00 C ATOM 730 O CYS A 54 -6.783 6.262 1.022 1.00 0.00 O ATOM 731 CB CYS A 54 -6.944 3.539 -0.612 1.00 0.00 C ATOM 732 SG CYS A 54 -6.456 2.147 -1.681 1.00 0.00 S ATOM 0 H CYS A 54 -5.070 3.591 1.020 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.479 4.804 -1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.109 3.166 0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.895 3.938 -0.964 1.00 0.00 H new ATOM 737 N GLN A 55 -6.998 6.763 -1.162 1.00 0.00 N ATOM 738 CA GLN A 55 -7.667 8.035 -0.917 1.00 0.00 C ATOM 739 C GLN A 55 -9.102 8.004 -1.435 1.00 0.00 C ATOM 740 O GLN A 55 -9.489 7.089 -2.161 1.00 0.00 O ATOM 741 CB GLN A 55 -6.897 9.177 -1.581 1.00 0.00 C ATOM 742 CG GLN A 55 -5.431 9.235 -1.182 1.00 0.00 C ATOM 743 CD GLN A 55 -4.743 10.495 -1.670 1.00 0.00 C ATOM 744 OE1 GLN A 55 -4.651 11.486 -0.945 1.00 0.00 O ATOM 745 NE2 GLN A 55 -4.254 10.462 -2.904 1.00 0.00 N ATOM 0 H GLN A 55 -6.861 6.541 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.692 8.202 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.966 9.070 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.373 10.123 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.351 9.179 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.914 8.364 -1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.353 9.619 -3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.779 11.280 -3.286 1.00 0.00 H new ATOM 754 N GLN A 56 -9.884 9.010 -1.056 1.00 0.00 N ATOM 755 CA GLN A 56 -11.276 9.096 -1.482 1.00 0.00 C ATOM 756 C GLN A 56 -11.373 9.249 -2.997 1.00 0.00 C ATOM 757 O GLN A 56 -12.456 9.153 -3.572 1.00 0.00 O ATOM 758 CB GLN A 56 -11.970 10.273 -0.794 1.00 0.00 C ATOM 759 CG GLN A 56 -13.487 10.192 -0.833 1.00 0.00 C ATOM 760 CD GLN A 56 -14.145 11.558 -0.808 1.00 0.00 C ATOM 761 OE1 GLN A 56 -13.487 12.580 -1.004 1.00 0.00 O ATOM 762 NE2 GLN A 56 -15.450 11.582 -0.566 1.00 0.00 N ATOM 0 H GLN A 56 -9.578 9.776 -0.456 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.775 8.170 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.644 10.320 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.652 11.200 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.796 9.661 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.838 9.608 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.956 10.710 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.947 12.472 -0.537 1.00 0.00 H new ATOM 771 N ASN A 57 -10.233 9.488 -3.637 1.00 0.00 N ATOM 772 CA ASN A 57 -10.190 9.655 -5.085 1.00 0.00 C ATOM 773 C ASN A 57 -9.911 8.325 -5.778 1.00 0.00 C ATOM 774 O ASN A 57 -9.383 8.291 -6.889 1.00 0.00 O ATOM 775 CB ASN A 57 -9.119 10.678 -5.470 1.00 0.00 C ATOM 776 CG ASN A 57 -9.488 12.088 -5.049 1.00 0.00 C ATOM 777 OD1 ASN A 57 -10.646 12.373 -4.744 1.00 0.00 O ATOM 778 ND2 ASN A 57 -8.502 12.977 -5.032 1.00 0.00 N ATOM 0 H ASN A 57 -9.327 9.570 -3.176 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.164 10.018 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.172 10.400 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.967 10.652 -6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.690 13.941 -4.758 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.557 12.695 -5.293 1.00 0.00 H new ATOM 785 N ASN A 58 -10.269 7.231 -5.113 1.00 0.00 N ATOM 786 CA ASN A 58 -10.058 5.898 -5.665 1.00 0.00 C ATOM 787 C ASN A 58 -8.715 5.814 -6.385 1.00 0.00 C ATOM 788 O ASN A 58 -8.626 5.286 -7.493 1.00 0.00 O ATOM 789 CB ASN A 58 -11.189 5.537 -6.630 1.00 0.00 C ATOM 790 CG ASN A 58 -11.568 6.693 -7.535 1.00 0.00 C ATOM 791 OD1 ASN A 58 -12.485 7.457 -7.235 1.00 0.00 O ATOM 792 ND2 ASN A 58 -10.860 6.826 -8.651 1.00 0.00 N ATOM 0 H ASN A 58 -10.706 7.242 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.053 5.187 -4.839 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.885 4.686 -7.240 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.063 5.224 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.068 7.585 -9.300 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.108 6.169 -8.859 1.00 0.00 H new ATOM 799 N GLN A 59 -7.674 6.337 -5.746 1.00 0.00 N ATOM 800 CA GLN A 59 -6.336 6.321 -6.325 1.00 0.00 C ATOM 801 C GLN A 59 -5.272 6.471 -5.243 1.00 0.00 C ATOM 802 O GLN A 59 -5.176 7.512 -4.593 1.00 0.00 O ATOM 803 CB GLN A 59 -6.191 7.441 -7.358 1.00 0.00 C ATOM 804 CG GLN A 59 -6.889 7.147 -8.676 1.00 0.00 C ATOM 805 CD GLN A 59 -6.254 7.871 -9.846 1.00 0.00 C ATOM 806 OE1 GLN A 59 -5.491 7.284 -10.614 1.00 0.00 O ATOM 807 NE2 GLN A 59 -6.567 9.154 -9.990 1.00 0.00 N ATOM 0 H GLN A 59 -7.731 6.777 -4.828 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.193 5.360 -6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.595 8.363 -6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.132 7.614 -7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.867 6.073 -8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.937 7.436 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.204 9.601 -9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.171 9.692 -10.760 1.00 0.00 H new ATOM 816 N TRP A 60 -4.477 5.424 -5.054 1.00 0.00 N ATOM 817 CA TRP A 60 -3.420 5.439 -4.049 1.00 0.00 C ATOM 818 C TRP A 60 -2.708 6.788 -4.027 1.00 0.00 C ATOM 819 O TRP A 60 -2.626 7.472 -5.047 1.00 0.00 O ATOM 820 CB TRP A 60 -2.412 4.321 -4.321 1.00 0.00 C ATOM 821 CG TRP A 60 -3.000 2.948 -4.196 1.00 0.00 C ATOM 822 CD1 TRP A 60 -3.439 2.149 -5.213 1.00 0.00 C ATOM 823 CD2 TRP A 60 -3.215 2.215 -2.986 1.00 0.00 C ATOM 824 NE1 TRP A 60 -3.914 0.963 -4.707 1.00 0.00 N ATOM 825 CE2 TRP A 60 -3.787 0.978 -3.343 1.00 0.00 C ATOM 826 CE3 TRP A 60 -2.978 2.481 -1.635 1.00 0.00 C ATOM 827 CZ2 TRP A 60 -4.124 0.014 -2.398 1.00 0.00 C ATOM 828 CZ3 TRP A 60 -3.314 1.523 -0.697 1.00 0.00 C ATOM 829 CH2 TRP A 60 -3.881 0.301 -1.082 1.00 0.00 C ATOM 0 H TRP A 60 -4.544 4.554 -5.583 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.879 5.275 -3.074 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.005 4.444 -5.325 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.578 4.416 -3.625 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -3.416 2.411 -6.261 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.299 0.196 -5.258 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.540 3.419 -1.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.562 -0.928 -2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.137 1.720 0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.131 -0.428 -0.326 1.00 0.00 H new ATOM 840 N SER A 61 -2.195 7.163 -2.860 1.00 0.00 N ATOM 841 CA SER A 61 -1.493 8.432 -2.706 1.00 0.00 C ATOM 842 C SER A 61 -0.152 8.403 -3.433 1.00 0.00 C ATOM 843 O SER A 61 0.550 9.410 -3.504 1.00 0.00 O ATOM 844 CB SER A 61 -1.276 8.742 -1.224 1.00 0.00 C ATOM 845 OG SER A 61 -2.509 8.795 -0.528 1.00 0.00 O ATOM 0 H SER A 61 -2.252 6.606 -2.007 1.00 0.00 H new ATOM 0 HA SER A 61 -2.109 9.216 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.637 7.979 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.755 9.694 -1.121 1.00 0.00 H new ATOM 0 HG SER A 61 -2.882 7.892 -0.453 1.00 0.00 H new ATOM 851 N GLY A 62 0.196 7.238 -3.972 1.00 0.00 N ATOM 852 CA GLY A 62 1.452 7.098 -4.687 1.00 0.00 C ATOM 853 C GLY A 62 1.492 5.852 -5.549 1.00 0.00 C ATOM 854 O GLY A 62 0.617 4.992 -5.450 1.00 0.00 O ATOM 0 H GLY A 62 -0.369 6.390 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.609 7.975 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.273 7.067 -3.971 1.00 0.00 H new ATOM 858 N ASN A 63 2.510 5.754 -6.397 1.00 0.00 N ATOM 859 CA ASN A 63 2.660 4.604 -7.282 1.00 0.00 C ATOM 860 C ASN A 63 3.388 3.465 -6.576 1.00 0.00 C ATOM 861 O ASN A 63 4.099 3.681 -5.595 1.00 0.00 O ATOM 862 CB ASN A 63 3.421 5.004 -8.548 1.00 0.00 C ATOM 863 CG ASN A 63 4.734 5.698 -8.238 1.00 0.00 C ATOM 864 OD1 ASN A 63 5.658 5.090 -7.697 1.00 0.00 O ATOM 865 ND2 ASN A 63 4.821 6.978 -8.579 1.00 0.00 N ATOM 0 H ASN A 63 3.243 6.457 -6.490 1.00 0.00 H new ATOM 0 HA ASN A 63 1.664 4.258 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.616 4.115 -9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.797 5.665 -9.150 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.679 7.498 -8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.030 7.442 -9.026 1.00 0.00 H new ATOM 872 N LYS A 64 3.205 2.250 -7.081 1.00 0.00 N ATOM 873 CA LYS A 64 3.845 1.075 -6.501 1.00 0.00 C ATOM 874 C LYS A 64 5.364 1.201 -6.555 1.00 0.00 C ATOM 875 O LYS A 64 5.933 1.740 -7.505 1.00 0.00 O ATOM 876 CB LYS A 64 3.400 -0.190 -7.239 1.00 0.00 C ATOM 877 CG LYS A 64 3.611 -0.123 -8.742 1.00 0.00 C ATOM 878 CD LYS A 64 3.383 -1.474 -9.398 1.00 0.00 C ATOM 879 CE LYS A 64 3.792 -1.459 -10.863 1.00 0.00 C ATOM 880 NZ LYS A 64 2.995 -0.479 -11.652 1.00 0.00 N ATOM 0 H LYS A 64 2.618 2.053 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 64 3.541 1.004 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.948 -1.044 -6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.344 -0.366 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.931 0.611 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.624 0.219 -8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.952 -2.238 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.331 -1.747 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.851 -1.213 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.664 -2.455 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.244 -0.559 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.981 -0.677 -11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.202 0.484 -11.320 1.00 0.00 H new ATOM 894 N PRO A 65 6.038 0.690 -5.514 1.00 0.00 N ATOM 895 CA PRO A 65 7.500 0.732 -5.421 1.00 0.00 C ATOM 896 C PRO A 65 8.172 -0.190 -6.433 1.00 0.00 C ATOM 897 O PRO A 65 7.539 -0.651 -7.383 1.00 0.00 O ATOM 898 CB PRO A 65 7.779 0.252 -3.994 1.00 0.00 C ATOM 899 CG PRO A 65 6.598 -0.584 -3.638 1.00 0.00 C ATOM 900 CD PRO A 65 5.425 0.033 -4.348 1.00 0.00 C ATOM 0 HA PRO A 65 7.893 1.726 -5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.702 -0.325 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.891 1.092 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.743 -1.618 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.439 -0.596 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.696 -0.720 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.902 0.748 -3.713 1.00 0.00 H new ATOM 908 N SER A 66 9.458 -0.455 -6.223 1.00 0.00 N ATOM 909 CA SER A 66 10.216 -1.319 -7.120 1.00 0.00 C ATOM 910 C SER A 66 11.413 -1.933 -6.399 1.00 0.00 C ATOM 911 O SER A 66 11.823 -1.460 -5.339 1.00 0.00 O ATOM 912 CB SER A 66 10.691 -0.531 -8.342 1.00 0.00 C ATOM 913 OG SER A 66 9.599 -0.158 -9.164 1.00 0.00 O ATOM 0 H SER A 66 9.996 -0.084 -5.440 1.00 0.00 H new ATOM 0 HA SER A 66 9.560 -2.124 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.227 0.361 -8.018 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.394 -1.134 -8.917 1.00 0.00 H new ATOM 0 HG SER A 66 8.758 -0.382 -8.713 1.00 0.00 H new ATOM 919 N CYS A 67 11.970 -2.988 -6.983 1.00 0.00 N ATOM 920 CA CYS A 67 13.119 -3.669 -6.399 1.00 0.00 C ATOM 921 C CYS A 67 14.339 -3.553 -7.308 1.00 0.00 C ATOM 922 O CYS A 67 14.220 -3.588 -8.533 1.00 0.00 O ATOM 923 CB CYS A 67 12.793 -5.143 -6.149 1.00 0.00 C ATOM 924 SG CYS A 67 11.194 -5.421 -5.322 1.00 0.00 S ATOM 0 H CYS A 67 11.644 -3.391 -7.862 1.00 0.00 H new ATOM 0 HA CYS A 67 13.349 -3.189 -5.448 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.793 -5.671 -7.103 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.585 -5.581 -5.542 1.00 0.00 H new ATOM 929 N SER A 68 15.513 -3.415 -6.700 1.00 0.00 N ATOM 930 CA SER A 68 16.755 -3.291 -7.454 1.00 0.00 C ATOM 931 C SER A 68 17.932 -3.847 -6.658 1.00 0.00 C ATOM 932 O SER A 68 18.054 -3.605 -5.458 1.00 0.00 O ATOM 933 CB SER A 68 17.014 -1.826 -7.812 1.00 0.00 C ATOM 934 OG SER A 68 18.248 -1.679 -8.494 1.00 0.00 O ATOM 0 H SER A 68 15.630 -3.386 -5.687 1.00 0.00 H new ATOM 0 HA SER A 68 16.654 -3.870 -8.372 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.203 -1.452 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.022 -1.222 -6.904 1.00 0.00 H new ATOM 0 HG SER A 68 18.390 -0.734 -8.713 1.00 0.00 H new ATOM 940 N GLY A 69 18.796 -4.595 -7.336 1.00 0.00 N ATOM 941 CA GLY A 69 19.952 -5.175 -6.677 1.00 0.00 C ATOM 942 C GLY A 69 21.195 -4.320 -6.828 1.00 0.00 C ATOM 943 O GLY A 69 21.311 -3.513 -7.750 1.00 0.00 O ATOM 0 H GLY A 69 18.717 -4.810 -8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.733 -5.309 -5.618 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.143 -6.165 -7.091 1.00 0.00 H new ATOM 947 N PRO A 70 22.152 -4.493 -5.904 1.00 0.00 N ATOM 948 CA PRO A 70 23.409 -3.739 -5.916 1.00 0.00 C ATOM 949 C PRO A 70 24.316 -4.142 -7.073 1.00 0.00 C ATOM 950 O PRO A 70 25.379 -4.727 -6.866 1.00 0.00 O ATOM 951 CB PRO A 70 24.055 -4.104 -4.577 1.00 0.00 C ATOM 952 CG PRO A 70 23.482 -5.435 -4.232 1.00 0.00 C ATOM 953 CD PRO A 70 22.081 -5.438 -4.777 1.00 0.00 C ATOM 0 HA PRO A 70 23.241 -2.670 -6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 70 25.141 -4.150 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 70 23.825 -3.363 -3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 70 24.073 -6.239 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 70 23.481 -5.592 -3.153 1.00 0.00 H new ATOM 0 HD2 PRO A 70 21.779 -6.433 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 70 21.358 -5.116 -4.028 1.00 0.00 H new ATOM 961 N SER A 71 23.890 -3.826 -8.292 1.00 0.00 N ATOM 962 CA SER A 71 24.663 -4.159 -9.483 1.00 0.00 C ATOM 963 C SER A 71 24.341 -3.200 -10.625 1.00 0.00 C ATOM 964 O SER A 71 23.186 -2.830 -10.832 1.00 0.00 O ATOM 965 CB SER A 71 24.378 -5.599 -9.915 1.00 0.00 C ATOM 966 OG SER A 71 24.372 -6.474 -8.800 1.00 0.00 O ATOM 0 H SER A 71 23.013 -3.340 -8.481 1.00 0.00 H new ATOM 0 HA SER A 71 25.721 -4.063 -9.239 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.415 -5.646 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.133 -5.923 -10.632 1.00 0.00 H new ATOM 0 HG SER A 71 24.186 -7.388 -9.102 1.00 0.00 H new ATOM 972 N SER A 72 25.372 -2.803 -11.363 1.00 0.00 N ATOM 973 CA SER A 72 25.202 -1.884 -12.483 1.00 0.00 C ATOM 974 C SER A 72 24.487 -2.569 -13.644 1.00 0.00 C ATOM 975 O SER A 72 23.787 -1.925 -14.424 1.00 0.00 O ATOM 976 CB SER A 72 26.560 -1.353 -12.946 1.00 0.00 C ATOM 977 OG SER A 72 27.265 -0.752 -11.874 1.00 0.00 O ATOM 0 H SER A 72 26.334 -3.103 -11.206 1.00 0.00 H new ATOM 0 HA SER A 72 24.590 -1.048 -12.145 1.00 0.00 H new ATOM 0 HB2 SER A 72 27.151 -2.169 -13.362 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.416 -0.625 -13.744 1.00 0.00 H new ATOM 0 HG SER A 72 28.130 -0.422 -12.195 1.00 0.00 H new ATOM 983 N GLY A 73 24.671 -3.882 -13.752 1.00 0.00 N ATOM 984 CA GLY A 73 24.039 -4.634 -14.820 1.00 0.00 C ATOM 985 C GLY A 73 25.027 -5.481 -15.596 1.00 0.00 C ATOM 986 O GLY A 73 26.228 -5.449 -15.327 1.00 0.00 O ATOM 0 H GLY A 73 25.246 -4.438 -13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 73 23.266 -5.277 -14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 73 23.543 -3.943 -15.502 1.00 0.00 H new TER 990 GLY A 73