USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.381 (180deg=0.0121) USER MOD Single : A 1 SER OG : rot 180:sc= 0.174 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=-0.013) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0.1 X(o=0.1,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -2.17 K(o=-2.2,f=-6.2!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 28 SER OG : rot 43:sc= 1.12 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.0039) USER MOD Single : A 41 THR OG1 : rot -23:sc= 0.363 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 46 SER OG : rot -61:sc= 1.23 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 112:sc= 1.07 USER MOD Single : A 56 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.9!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 151:sc= -0.111 (180deg=-0.478) USER MOD Single : A 69 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.1!) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -33:sc= 0.104 USER MOD Single : A 86 MET CE :methyl -117:sc= -3.83 (180deg=-6.61!) USER MOD Single : A 87 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 89 MET CE :methyl 147:sc= -1.89 (180deg=-3.35) USER MOD Single : A 90 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 WSK O0 : rot -166:sc= -0.53 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.659 28.594 -16.177 1.00 0.00 N ATOM 2 CA SER A 1 -13.532 27.127 -15.981 1.00 0.00 C ATOM 3 C SER A 1 -14.152 26.691 -14.658 1.00 0.00 C ATOM 4 O SER A 1 -14.792 27.486 -13.970 1.00 0.00 O ATOM 5 CB SER A 1 -12.047 26.759 -16.014 1.00 0.00 C ATOM 6 OG SER A 1 -11.245 27.826 -15.536 1.00 0.00 O ATOM 0 H1 SER A 1 -13.890 28.793 -17.171 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.416 28.962 -15.566 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.760 29.056 -15.931 1.00 0.00 H new ATOM 0 HA SER A 1 -14.066 26.612 -16.779 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.876 25.871 -15.406 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.754 26.508 -17.034 1.00 0.00 H new ATOM 0 HG SER A 1 -10.301 27.565 -15.566 1.00 0.00 H new ATOM 14 N GLY A 2 -13.956 25.423 -14.308 1.00 0.00 N ATOM 15 CA GLY A 2 -14.502 24.905 -13.067 1.00 0.00 C ATOM 16 C GLY A 2 -13.490 24.917 -11.939 1.00 0.00 C ATOM 17 O GLY A 2 -12.285 25.003 -12.178 1.00 0.00 O ATOM 0 H GLY A 2 -13.430 24.746 -14.861 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.369 25.499 -12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.853 23.885 -13.226 1.00 0.00 H new ATOM 21 N PHE A 3 -13.978 24.832 -10.706 1.00 0.00 N ATOM 22 CA PHE A 3 -13.106 24.832 -9.538 1.00 0.00 C ATOM 23 C PHE A 3 -12.392 23.492 -9.394 1.00 0.00 C ATOM 24 O PHE A 3 -12.963 22.439 -9.678 1.00 0.00 O ATOM 25 CB PHE A 3 -13.912 25.132 -8.274 1.00 0.00 C ATOM 26 CG PHE A 3 -13.075 25.638 -7.133 1.00 0.00 C ATOM 27 CD1 PHE A 3 -12.144 26.646 -7.332 1.00 0.00 C ATOM 28 CD2 PHE A 3 -13.219 25.106 -5.862 1.00 0.00 C ATOM 29 CE1 PHE A 3 -11.373 27.112 -6.284 1.00 0.00 C ATOM 30 CE2 PHE A 3 -12.452 25.567 -4.811 1.00 0.00 C ATOM 31 CZ PHE A 3 -11.527 26.572 -5.022 1.00 0.00 C ATOM 0 H PHE A 3 -14.972 24.762 -10.490 1.00 0.00 H new ATOM 0 HA PHE A 3 -12.356 25.611 -9.675 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.677 25.872 -8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.430 24.226 -7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.020 27.072 -8.317 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -13.940 24.321 -5.691 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.651 27.897 -6.452 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.575 25.143 -3.825 1.00 0.00 H new ATOM 0 HZ PHE A 3 -10.926 26.935 -4.201 1.00 0.00 H new ATOM 41 N LYS A 4 -11.139 23.540 -8.955 1.00 0.00 N ATOM 42 CA LYS A 4 -10.345 22.332 -8.776 1.00 0.00 C ATOM 43 C LYS A 4 -10.926 21.451 -7.673 1.00 0.00 C ATOM 44 O LYS A 4 -11.261 21.934 -6.591 1.00 0.00 O ATOM 45 CB LYS A 4 -8.898 22.691 -8.455 1.00 0.00 C ATOM 46 CG LYS A 4 -8.731 23.259 -7.067 1.00 0.00 C ATOM 47 CD LYS A 4 -7.296 23.680 -6.798 1.00 0.00 C ATOM 48 CE LYS A 4 -7.228 25.082 -6.216 1.00 0.00 C ATOM 49 NZ LYS A 4 -6.526 26.028 -7.127 1.00 0.00 N ATOM 0 H LYS A 4 -10.652 24.404 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.372 21.770 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.277 21.801 -8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.538 23.416 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.391 24.118 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.036 22.515 -6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.832 22.975 -6.108 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.724 23.641 -7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.238 25.445 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.712 25.052 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.501 26.973 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.554 25.696 -7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.032 26.077 -8.034 1.00 0.00 H new ATOM 63 N HIS A 5 -11.042 20.158 -7.956 1.00 0.00 N ATOM 64 CA HIS A 5 -11.581 19.210 -6.989 1.00 0.00 C ATOM 65 C HIS A 5 -10.459 18.461 -6.277 1.00 0.00 C ATOM 66 O HIS A 5 -9.871 17.532 -6.830 1.00 0.00 O ATOM 67 CB HIS A 5 -12.509 18.214 -7.685 1.00 0.00 C ATOM 68 CG HIS A 5 -13.963 18.510 -7.486 1.00 0.00 C ATOM 69 ND1 HIS A 5 -14.858 18.621 -8.530 1.00 0.00 N ATOM 70 CD2 HIS A 5 -14.678 18.717 -6.355 1.00 0.00 C ATOM 71 CE1 HIS A 5 -16.060 18.885 -8.050 1.00 0.00 C ATOM 72 NE2 HIS A 5 -15.978 18.948 -6.735 1.00 0.00 N ATOM 0 H HIS A 5 -10.770 19.743 -8.847 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.149 19.771 -6.246 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.290 18.211 -8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.297 17.212 -7.314 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -14.298 18.703 -5.344 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.957 19.025 -8.635 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -16.755 19.138 -6.102 1.00 0.00 H new ATOM 81 N VAL A 6 -10.169 18.870 -5.047 1.00 0.00 N ATOM 82 CA VAL A 6 -9.119 18.235 -4.260 1.00 0.00 C ATOM 83 C VAL A 6 -9.642 16.989 -3.553 1.00 0.00 C ATOM 84 O VAL A 6 -10.614 17.052 -2.801 1.00 0.00 O ATOM 85 CB VAL A 6 -8.539 19.203 -3.212 1.00 0.00 C ATOM 86 CG1 VAL A 6 -7.983 20.448 -3.887 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.594 19.571 -2.181 1.00 0.00 C ATOM 0 H VAL A 6 -10.646 19.638 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.329 17.951 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.721 18.702 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.577 21.121 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.193 20.163 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.780 20.953 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.165 20.255 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.436 20.053 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.939 18.669 -1.675 1.00 0.00 H new ATOM 97 N SER A 7 -8.993 15.857 -3.804 1.00 0.00 N ATOM 98 CA SER A 7 -9.395 14.595 -3.194 1.00 0.00 C ATOM 99 C SER A 7 -9.051 14.571 -1.708 1.00 0.00 C ATOM 100 O SER A 7 -9.784 14.001 -0.901 1.00 0.00 O ATOM 101 CB SER A 7 -8.715 13.425 -3.907 1.00 0.00 C ATOM 102 OG SER A 7 -8.761 13.587 -5.314 1.00 0.00 O ATOM 0 H SER A 7 -8.187 15.788 -4.425 1.00 0.00 H new ATOM 0 HA SER A 7 -10.476 14.498 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.678 13.350 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.205 12.492 -3.629 1.00 0.00 H new ATOM 0 HG SER A 7 -8.318 12.827 -5.745 1.00 0.00 H new ATOM 108 N HIS A 8 -7.931 15.193 -1.355 1.00 0.00 N ATOM 109 CA HIS A 8 -7.492 15.246 0.035 1.00 0.00 C ATOM 110 C HIS A 8 -7.056 13.871 0.520 1.00 0.00 C ATOM 111 O HIS A 8 -7.793 13.180 1.222 1.00 0.00 O ATOM 112 CB HIS A 8 -8.611 15.778 0.921 1.00 0.00 C ATOM 113 CG HIS A 8 -8.144 16.760 1.950 1.00 0.00 C ATOM 114 ND1 HIS A 8 -8.558 18.076 1.978 1.00 0.00 N ATOM 115 CD2 HIS A 8 -7.294 16.613 2.994 1.00 0.00 C ATOM 116 CE1 HIS A 8 -7.983 18.695 2.993 1.00 0.00 C ATOM 117 NE2 HIS A 8 -7.212 17.830 3.624 1.00 0.00 N ATOM 0 H HIS A 8 -7.311 15.667 -2.012 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.637 15.920 0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.365 16.253 0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -9.095 14.940 1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.777 15.708 3.278 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.120 19.732 3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.646 18.033 4.448 1.00 0.00 H new ATOM 126 N VAL A 9 -5.848 13.488 0.141 1.00 0.00 N ATOM 127 CA VAL A 9 -5.290 12.197 0.527 1.00 0.00 C ATOM 128 C VAL A 9 -5.119 12.103 2.040 1.00 0.00 C ATOM 129 O VAL A 9 -5.027 13.115 2.735 1.00 0.00 O ATOM 130 CB VAL A 9 -3.924 11.950 -0.156 1.00 0.00 C ATOM 131 CG1 VAL A 9 -2.998 13.138 0.061 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.276 10.664 0.348 1.00 0.00 C ATOM 0 H VAL A 9 -5.229 14.056 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.995 11.433 0.198 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.100 11.836 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.042 12.948 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.450 14.034 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.838 13.285 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.318 10.519 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.117 10.734 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.929 9.819 0.132 1.00 0.00 H new ATOM 142 N GLY A 10 -5.071 10.872 2.535 1.00 0.00 N ATOM 143 CA GLY A 10 -4.869 10.643 3.947 1.00 0.00 C ATOM 144 C GLY A 10 -3.402 10.435 4.265 1.00 0.00 C ATOM 145 O GLY A 10 -2.881 10.986 5.235 1.00 0.00 O ATOM 0 H GLY A 10 -5.170 10.025 1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.250 11.493 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.439 9.769 4.261 1.00 0.00 H new ATOM 149 N TRP A 11 -2.728 9.669 3.411 1.00 0.00 N ATOM 150 CA TRP A 11 -1.303 9.409 3.561 1.00 0.00 C ATOM 151 C TRP A 11 -0.507 10.700 3.402 1.00 0.00 C ATOM 152 O TRP A 11 -0.701 11.451 2.446 1.00 0.00 O ATOM 153 CB TRP A 11 -0.852 8.355 2.535 1.00 0.00 C ATOM 154 CG TRP A 11 0.633 8.291 2.315 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.526 7.496 2.974 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.390 9.042 1.359 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.794 7.712 2.490 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.738 8.657 1.499 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.062 10.007 0.402 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.752 9.203 0.717 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.070 10.547 -0.373 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.402 10.144 -0.211 1.00 0.00 C ATOM 0 H TRP A 11 -3.152 9.215 2.602 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.116 9.020 4.562 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.200 7.376 2.863 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.339 8.563 1.582 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.273 6.800 3.760 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.640 7.245 2.816 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.038 10.325 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.780 8.894 0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.827 11.292 -1.116 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.168 10.586 -0.832 1.00 0.00 H new ATOM 173 N ASP A 12 0.386 10.951 4.350 1.00 0.00 N ATOM 174 CA ASP A 12 1.209 12.154 4.325 1.00 0.00 C ATOM 175 C ASP A 12 2.689 11.803 4.161 1.00 0.00 C ATOM 176 O ASP A 12 3.221 10.988 4.915 1.00 0.00 O ATOM 177 CB ASP A 12 1.008 12.957 5.612 1.00 0.00 C ATOM 178 CG ASP A 12 0.245 14.246 5.375 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.856 15.213 4.875 1.00 0.00 O ATOM 180 OD2 ASP A 12 -0.963 14.287 5.689 1.00 0.00 O ATOM 0 H ASP A 12 0.559 10.338 5.146 1.00 0.00 H new ATOM 0 HA ASP A 12 0.900 12.757 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.469 12.347 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.980 13.188 6.049 1.00 0.00 H new ATOM 185 N PRO A 13 3.378 12.418 3.180 1.00 0.00 N ATOM 186 CA PRO A 13 4.804 12.161 2.938 1.00 0.00 C ATOM 187 C PRO A 13 5.671 12.563 4.129 1.00 0.00 C ATOM 188 O PRO A 13 6.395 13.556 4.075 1.00 0.00 O ATOM 189 CB PRO A 13 5.140 13.035 1.723 1.00 0.00 C ATOM 190 CG PRO A 13 3.828 13.381 1.107 1.00 0.00 C ATOM 191 CD PRO A 13 2.832 13.400 2.230 1.00 0.00 C ATOM 0 HA PRO A 13 4.997 11.100 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.682 13.932 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.776 12.499 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.874 14.350 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.548 12.648 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.749 14.390 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.835 13.120 1.889 1.00 0.00 H new ATOM 199 N GLN A 14 5.594 11.782 5.200 1.00 0.00 N ATOM 200 CA GLN A 14 6.367 12.058 6.405 1.00 0.00 C ATOM 201 C GLN A 14 6.037 11.052 7.503 1.00 0.00 C ATOM 202 O GLN A 14 6.906 10.310 7.959 1.00 0.00 O ATOM 203 CB GLN A 14 6.090 13.480 6.899 1.00 0.00 C ATOM 204 CG GLN A 14 7.329 14.360 6.946 1.00 0.00 C ATOM 205 CD GLN A 14 7.018 15.819 6.671 1.00 0.00 C ATOM 206 OE1 GLN A 14 6.755 16.593 7.591 1.00 0.00 O ATOM 207 NE2 GLN A 14 7.045 16.199 5.399 1.00 0.00 N ATOM 0 H GLN A 14 5.004 10.952 5.259 1.00 0.00 H new ATOM 0 HA GLN A 14 7.425 11.967 6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.349 13.944 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.652 13.431 7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.797 14.270 7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.053 14.002 6.214 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.268 15.522 4.669 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.843 17.168 5.152 1.00 0.00 H new ATOM 216 N ASN A 15 4.775 11.031 7.919 1.00 0.00 N ATOM 217 CA ASN A 15 4.329 10.109 8.957 1.00 0.00 C ATOM 218 C ASN A 15 4.332 8.674 8.442 1.00 0.00 C ATOM 219 O ASN A 15 4.864 7.773 9.088 1.00 0.00 O ATOM 220 CB ASN A 15 2.928 10.488 9.439 1.00 0.00 C ATOM 221 CG ASN A 15 2.945 11.147 10.804 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.844 10.475 11.831 1.00 0.00 O ATOM 223 ND2 ASN A 15 3.071 12.469 10.822 1.00 0.00 N ATOM 0 H ASN A 15 4.044 11.641 7.554 1.00 0.00 H new ATOM 0 HA ASN A 15 5.023 10.179 9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.469 11.164 8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.306 9.594 9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.087 12.968 11.712 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.152 12.986 9.946 1.00 0.00 H new ATOM 230 N GLY A 16 3.740 8.472 7.269 1.00 0.00 N ATOM 231 CA GLY A 16 3.690 7.147 6.683 1.00 0.00 C ATOM 232 C GLY A 16 2.279 6.599 6.602 1.00 0.00 C ATOM 233 O GLY A 16 1.391 7.231 6.029 1.00 0.00 O ATOM 0 H GLY A 16 3.294 9.203 6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.121 7.180 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.306 6.469 7.274 1.00 0.00 H new ATOM 237 N PHE A 17 2.072 5.419 7.176 1.00 0.00 N ATOM 238 CA PHE A 17 0.762 4.781 7.165 1.00 0.00 C ATOM 239 C PHE A 17 -0.039 5.154 8.408 1.00 0.00 C ATOM 240 O PHE A 17 0.506 5.231 9.510 1.00 0.00 O ATOM 241 CB PHE A 17 0.918 3.259 7.098 1.00 0.00 C ATOM 242 CG PHE A 17 0.693 2.681 5.730 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.585 2.583 5.206 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.759 2.211 4.979 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.795 2.042 3.952 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.556 1.668 3.725 1.00 0.00 C ATOM 247 CZ PHE A 17 0.277 1.580 3.213 1.00 0.00 C ATOM 0 H PHE A 17 2.796 4.885 7.655 1.00 0.00 H new ATOM 0 HA PHE A 17 0.224 5.133 6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.920 2.992 7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.216 2.801 7.795 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.427 2.933 5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.760 2.270 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.796 1.980 3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.396 1.313 3.146 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.115 1.150 2.236 1.00 0.00 H new ATOM 257 N ASP A 18 -1.338 5.367 8.229 1.00 0.00 N ATOM 258 CA ASP A 18 -2.216 5.704 9.343 1.00 0.00 C ATOM 259 C ASP A 18 -2.831 4.442 9.938 1.00 0.00 C ATOM 260 O ASP A 18 -4.047 4.347 10.101 1.00 0.00 O ATOM 261 CB ASP A 18 -3.321 6.657 8.880 1.00 0.00 C ATOM 262 CG ASP A 18 -3.831 7.539 10.002 1.00 0.00 C ATOM 263 OD1 ASP A 18 -3.002 8.037 10.791 1.00 0.00 O ATOM 264 OD2 ASP A 18 -5.062 7.732 10.092 1.00 0.00 O ATOM 0 H ASP A 18 -1.806 5.312 7.324 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.622 6.199 10.111 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.942 7.284 8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.149 6.078 8.472 1.00 0.00 H new ATOM 269 N VAL A 19 -1.980 3.470 10.248 1.00 0.00 N ATOM 270 CA VAL A 19 -2.431 2.199 10.804 1.00 0.00 C ATOM 271 C VAL A 19 -3.280 2.407 12.058 1.00 0.00 C ATOM 272 O VAL A 19 -4.162 1.602 12.360 1.00 0.00 O ATOM 273 CB VAL A 19 -1.240 1.277 11.138 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.442 1.825 12.313 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.724 -0.136 11.423 1.00 0.00 C ATOM 0 H VAL A 19 -0.970 3.539 10.123 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.044 1.721 10.040 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.580 1.244 10.272 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.392 1.158 12.529 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.060 2.815 12.063 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.087 1.896 13.189 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.871 -0.773 11.657 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.409 -0.122 12.271 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.240 -0.528 10.546 1.00 0.00 H new ATOM 285 N ASN A 20 -3.004 3.484 12.786 1.00 0.00 N ATOM 286 CA ASN A 20 -3.739 3.788 14.009 1.00 0.00 C ATOM 287 C ASN A 20 -5.235 3.901 13.734 1.00 0.00 C ATOM 288 O ASN A 20 -6.055 3.361 14.477 1.00 0.00 O ATOM 289 CB ASN A 20 -3.220 5.085 14.634 1.00 0.00 C ATOM 290 CG ASN A 20 -3.378 6.277 13.711 1.00 0.00 C ATOM 291 OD1 ASN A 20 -4.485 6.777 13.509 1.00 0.00 O ATOM 292 ND2 ASN A 20 -2.269 6.742 13.148 1.00 0.00 N ATOM 0 H ASN A 20 -2.278 4.160 12.551 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.581 2.969 14.710 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.755 5.276 15.564 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.167 4.965 14.891 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.314 7.544 12.520 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.372 6.297 13.344 1.00 0.00 H new ATOM 299 N ASN A 21 -5.584 4.604 12.661 1.00 0.00 N ATOM 300 CA ASN A 21 -6.981 4.784 12.286 1.00 0.00 C ATOM 301 C ASN A 21 -7.246 4.227 10.891 1.00 0.00 C ATOM 302 O ASN A 21 -7.930 4.851 10.081 1.00 0.00 O ATOM 303 CB ASN A 21 -7.357 6.266 12.336 1.00 0.00 C ATOM 304 CG ASN A 21 -8.552 6.531 13.230 1.00 0.00 C ATOM 305 OD1 ASN A 21 -9.551 5.814 13.180 1.00 0.00 O ATOM 306 ND2 ASN A 21 -8.455 7.567 14.056 1.00 0.00 N ATOM 0 H ASN A 21 -4.918 5.058 12.036 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.596 4.236 12.999 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.504 6.842 12.695 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.577 6.616 11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.228 7.794 14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.608 8.135 14.064 1.00 0.00 H new ATOM 313 N LEU A 22 -6.697 3.048 10.617 1.00 0.00 N ATOM 314 CA LEU A 22 -6.869 2.409 9.321 1.00 0.00 C ATOM 315 C LEU A 22 -8.295 1.898 9.149 1.00 0.00 C ATOM 316 O LEU A 22 -8.887 1.350 10.079 1.00 0.00 O ATOM 317 CB LEU A 22 -5.879 1.253 9.176 1.00 0.00 C ATOM 318 CG LEU A 22 -4.972 1.327 7.945 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.827 0.332 8.065 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.772 1.072 6.677 1.00 0.00 C ATOM 0 H LEU A 22 -6.129 2.517 11.277 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.676 3.150 8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.253 1.217 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.438 0.318 9.141 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.550 2.330 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.193 0.399 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.237 0.561 8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.229 -0.678 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.111 1.129 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.223 0.081 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.556 1.824 6.584 1.00 0.00 H new ATOM 332 N ASP A 23 -8.843 2.079 7.951 1.00 0.00 N ATOM 333 CA ASP A 23 -10.199 1.634 7.656 1.00 0.00 C ATOM 334 C ASP A 23 -10.283 0.107 7.671 1.00 0.00 C ATOM 335 O ASP A 23 -9.459 -0.569 7.056 1.00 0.00 O ATOM 336 CB ASP A 23 -10.645 2.167 6.292 1.00 0.00 C ATOM 337 CG ASP A 23 -11.993 2.856 6.352 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.752 2.595 7.309 1.00 0.00 O ATOM 339 OD2 ASP A 23 -12.291 3.658 5.441 1.00 0.00 O ATOM 0 H ASP A 23 -8.368 2.531 7.170 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.863 2.026 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.899 2.868 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.693 1.342 5.581 1.00 0.00 H new ATOM 344 N PRO A 24 -11.282 -0.460 8.373 1.00 0.00 N ATOM 345 CA PRO A 24 -11.456 -1.913 8.459 1.00 0.00 C ATOM 346 C PRO A 24 -11.442 -2.582 7.088 1.00 0.00 C ATOM 347 O PRO A 24 -10.827 -3.632 6.905 1.00 0.00 O ATOM 348 CB PRO A 24 -12.827 -2.070 9.119 1.00 0.00 C ATOM 349 CG PRO A 24 -13.008 -0.821 9.910 1.00 0.00 C ATOM 350 CD PRO A 24 -12.313 0.266 9.139 1.00 0.00 C ATOM 0 HA PRO A 24 -10.646 -2.387 9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.615 -2.185 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.861 -2.952 9.758 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.066 -0.592 10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.580 -0.926 10.907 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.003 0.796 8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.871 1.009 9.803 1.00 0.00 H new ATOM 358 N ASP A 25 -12.125 -1.967 6.127 1.00 0.00 N ATOM 359 CA ASP A 25 -12.186 -2.504 4.772 1.00 0.00 C ATOM 360 C ASP A 25 -10.803 -2.511 4.131 1.00 0.00 C ATOM 361 O ASP A 25 -10.298 -3.559 3.732 1.00 0.00 O ATOM 362 CB ASP A 25 -13.152 -1.682 3.916 1.00 0.00 C ATOM 363 CG ASP A 25 -13.952 -2.543 2.958 1.00 0.00 C ATOM 364 OD1 ASP A 25 -13.402 -2.929 1.906 1.00 0.00 O ATOM 365 OD2 ASP A 25 -15.129 -2.831 3.261 1.00 0.00 O ATOM 0 H ASP A 25 -12.643 -1.098 6.261 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.548 -3.530 4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.835 -1.136 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.590 -0.940 3.350 1.00 0.00 H new ATOM 370 N LEU A 26 -10.195 -1.332 4.040 1.00 0.00 N ATOM 371 CA LEU A 26 -8.866 -1.202 3.456 1.00 0.00 C ATOM 372 C LEU A 26 -7.856 -2.053 4.218 1.00 0.00 C ATOM 373 O LEU A 26 -6.948 -2.635 3.624 1.00 0.00 O ATOM 374 CB LEU A 26 -8.433 0.267 3.452 1.00 0.00 C ATOM 375 CG LEU A 26 -7.133 0.562 2.701 1.00 0.00 C ATOM 376 CD1 LEU A 26 -5.942 -0.007 3.452 1.00 0.00 C ATOM 377 CD2 LEU A 26 -7.192 0.000 1.288 1.00 0.00 C ATOM 0 H LEU A 26 -10.602 -0.454 4.363 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.904 -1.559 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.232 0.863 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.321 0.599 4.484 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.013 1.643 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.027 0.213 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.888 0.444 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.056 -1.087 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.259 0.220 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.337 -1.079 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.022 0.457 0.749 1.00 0.00 H new ATOM 389 N ARG A 27 -8.022 -2.126 5.535 1.00 0.00 N ATOM 390 CA ARG A 27 -7.127 -2.918 6.371 1.00 0.00 C ATOM 391 C ARG A 27 -7.058 -4.356 5.873 1.00 0.00 C ATOM 392 O ARG A 27 -5.973 -4.906 5.682 1.00 0.00 O ATOM 393 CB ARG A 27 -7.592 -2.890 7.826 1.00 0.00 C ATOM 394 CG ARG A 27 -6.465 -3.095 8.823 1.00 0.00 C ATOM 395 CD ARG A 27 -6.865 -4.058 9.925 1.00 0.00 C ATOM 396 NE ARG A 27 -5.880 -4.095 11.001 1.00 0.00 N ATOM 397 CZ ARG A 27 -5.789 -5.082 11.885 1.00 0.00 C ATOM 398 NH1 ARG A 27 -6.624 -6.111 11.824 1.00 0.00 N ATOM 399 NH2 ARG A 27 -4.864 -5.040 12.833 1.00 0.00 N ATOM 0 H ARG A 27 -8.765 -1.648 6.045 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.130 -2.481 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.076 -1.934 8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.344 -3.665 7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.585 -3.478 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.186 -2.136 9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.833 -3.764 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.984 -5.058 9.508 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.224 -3.318 11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.338 -6.146 11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.552 -6.868 12.504 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.222 -4.249 12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.795 -5.798 13.512 1.00 0.00 H new ATOM 413 N SER A 28 -8.223 -4.958 5.657 1.00 0.00 N ATOM 414 CA SER A 28 -8.295 -6.330 5.169 1.00 0.00 C ATOM 415 C SER A 28 -7.618 -6.452 3.808 1.00 0.00 C ATOM 416 O SER A 28 -7.116 -7.516 3.446 1.00 0.00 O ATOM 417 CB SER A 28 -9.752 -6.783 5.071 1.00 0.00 C ATOM 418 OG SER A 28 -10.620 -5.679 4.878 1.00 0.00 O ATOM 0 H SER A 28 -9.130 -4.517 5.812 1.00 0.00 H new ATOM 0 HA SER A 28 -7.772 -6.973 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.863 -7.485 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.032 -7.315 5.980 1.00 0.00 H new ATOM 0 HG SER A 28 -10.227 -5.065 4.223 1.00 0.00 H new ATOM 424 N LEU A 29 -7.604 -5.354 3.060 1.00 0.00 N ATOM 425 CA LEU A 29 -6.982 -5.332 1.742 1.00 0.00 C ATOM 426 C LEU A 29 -5.497 -5.672 1.840 1.00 0.00 C ATOM 427 O LEU A 29 -4.895 -6.146 0.876 1.00 0.00 O ATOM 428 CB LEU A 29 -7.161 -3.959 1.091 1.00 0.00 C ATOM 429 CG LEU A 29 -7.527 -3.991 -0.394 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.678 -2.577 -0.936 1.00 0.00 C ATOM 431 CD2 LEU A 29 -6.480 -4.759 -1.184 1.00 0.00 C ATOM 0 H LEU A 29 -8.017 -4.466 3.345 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.471 -6.084 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.938 -3.417 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.237 -3.394 1.210 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.483 -4.504 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.938 -2.619 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -8.466 -2.060 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.738 -2.039 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.757 -4.772 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.510 -4.275 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.421 -5.782 -0.812 1.00 0.00 H new ATOM 443 N PHE A 30 -4.915 -5.426 3.009 1.00 0.00 N ATOM 444 CA PHE A 30 -3.501 -5.709 3.233 1.00 0.00 C ATOM 445 C PHE A 30 -3.297 -7.163 3.646 1.00 0.00 C ATOM 446 O PHE A 30 -2.650 -7.934 2.937 1.00 0.00 O ATOM 447 CB PHE A 30 -2.941 -4.782 4.314 1.00 0.00 C ATOM 448 CG PHE A 30 -2.540 -3.428 3.801 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.664 -3.308 2.735 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.035 -2.277 4.392 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.291 -2.063 2.265 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.665 -1.029 3.926 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.792 -0.922 2.861 1.00 0.00 C ATOM 0 H PHE A 30 -5.399 -5.032 3.815 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.968 -5.535 2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.690 -4.657 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.075 -5.257 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.268 -4.197 2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.717 -2.355 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.608 -1.982 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.058 -0.139 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.502 0.052 2.495 1.00 0.00 H new ATOM 463 N SER A 31 -3.847 -7.527 4.799 1.00 0.00 N ATOM 464 CA SER A 31 -3.722 -8.887 5.310 1.00 0.00 C ATOM 465 C SER A 31 -4.102 -9.908 4.244 1.00 0.00 C ATOM 466 O SER A 31 -3.646 -11.051 4.273 1.00 0.00 O ATOM 467 CB SER A 31 -4.603 -9.072 6.547 1.00 0.00 C ATOM 468 OG SER A 31 -3.948 -8.608 7.715 1.00 0.00 O ATOM 0 H SER A 31 -4.384 -6.899 5.398 1.00 0.00 H new ATOM 0 HA SER A 31 -2.680 -9.049 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.540 -8.532 6.413 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.856 -10.126 6.663 1.00 0.00 H new ATOM 0 HG SER A 31 -4.533 -8.736 8.491 1.00 0.00 H new ATOM 474 N ARG A 32 -4.940 -9.488 3.302 1.00 0.00 N ATOM 475 CA ARG A 32 -5.383 -10.366 2.226 1.00 0.00 C ATOM 476 C ARG A 32 -4.333 -10.452 1.123 1.00 0.00 C ATOM 477 O ARG A 32 -4.199 -11.481 0.461 1.00 0.00 O ATOM 478 CB ARG A 32 -6.708 -9.866 1.647 1.00 0.00 C ATOM 479 CG ARG A 32 -7.918 -10.239 2.489 1.00 0.00 C ATOM 480 CD ARG A 32 -9.204 -9.698 1.889 1.00 0.00 C ATOM 481 NE ARG A 32 -10.006 -10.751 1.272 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.225 -10.555 0.780 1.00 0.00 C ATOM 483 NH1 ARG A 32 -11.778 -9.351 0.834 1.00 0.00 N ATOM 484 NH2 ARG A 32 -11.892 -11.562 0.235 1.00 0.00 N ATOM 0 H ARG A 32 -5.326 -8.545 3.262 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.527 -11.363 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.665 -8.781 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.834 -10.274 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.983 -11.324 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.794 -9.848 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.788 -9.206 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.965 -8.940 1.143 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.609 -11.689 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.268 -8.574 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.714 -9.202 0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.470 -12.490 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.827 -11.409 -0.142 1.00 0.00 H new ATOM 498 N ALA A 33 -3.591 -9.367 0.932 1.00 0.00 N ATOM 499 CA ALA A 33 -2.553 -9.322 -0.091 1.00 0.00 C ATOM 500 C ALA A 33 -1.247 -9.922 0.424 1.00 0.00 C ATOM 501 O ALA A 33 -0.407 -10.366 -0.358 1.00 0.00 O ATOM 502 CB ALA A 33 -2.333 -7.893 -0.560 1.00 0.00 C ATOM 0 H ALA A 33 -3.689 -8.507 1.472 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.887 -9.921 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.555 -7.876 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.260 -7.500 -0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.026 -7.276 0.284 1.00 0.00 H new ATOM 508 N GLY A 34 -1.084 -9.934 1.744 1.00 0.00 N ATOM 509 CA GLY A 34 0.119 -10.487 2.336 1.00 0.00 C ATOM 510 C GLY A 34 0.992 -9.428 2.981 1.00 0.00 C ATOM 511 O GLY A 34 2.218 -9.478 2.878 1.00 0.00 O ATOM 0 H GLY A 34 -1.763 -9.571 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.157 -11.230 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.692 -11.006 1.568 1.00 0.00 H new ATOM 515 N ILE A 35 0.362 -8.467 3.649 1.00 0.00 N ATOM 516 CA ILE A 35 1.093 -7.394 4.314 1.00 0.00 C ATOM 517 C ILE A 35 0.672 -7.264 5.774 1.00 0.00 C ATOM 518 O ILE A 35 -0.437 -7.645 6.148 1.00 0.00 O ATOM 519 CB ILE A 35 0.878 -6.043 3.606 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.198 -6.168 2.115 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.738 -4.965 4.248 1.00 0.00 C ATOM 522 CD1 ILE A 35 1.151 -4.850 1.373 1.00 0.00 C ATOM 0 H ILE A 35 -0.652 -8.409 3.744 1.00 0.00 H new ATOM 0 HA ILE A 35 2.150 -7.655 4.266 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.168 -5.757 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.190 -6.605 2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.490 -6.859 1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.575 -4.017 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.468 -4.862 5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.789 -5.243 4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.388 -5.015 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.153 -4.421 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.878 -4.163 1.805 1.00 0.00 H new ATOM 534 N SER A 36 1.566 -6.724 6.597 1.00 0.00 N ATOM 535 CA SER A 36 1.290 -6.547 8.017 1.00 0.00 C ATOM 536 C SER A 36 1.665 -5.142 8.477 1.00 0.00 C ATOM 537 O SER A 36 2.155 -4.330 7.692 1.00 0.00 O ATOM 538 CB SER A 36 2.058 -7.584 8.840 1.00 0.00 C ATOM 539 OG SER A 36 2.059 -8.846 8.197 1.00 0.00 O ATOM 0 H SER A 36 2.488 -6.402 6.304 1.00 0.00 H new ATOM 0 HA SER A 36 0.220 -6.687 8.171 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.084 -7.247 8.989 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.606 -7.676 9.828 1.00 0.00 H new ATOM 0 HG SER A 36 2.557 -9.490 8.742 1.00 0.00 H new ATOM 545 N GLU A 37 1.433 -4.864 9.756 1.00 0.00 N ATOM 546 CA GLU A 37 1.749 -3.558 10.326 1.00 0.00 C ATOM 547 C GLU A 37 3.217 -3.208 10.104 1.00 0.00 C ATOM 548 O GLU A 37 3.549 -2.076 9.754 1.00 0.00 O ATOM 549 CB GLU A 37 1.432 -3.546 11.823 1.00 0.00 C ATOM 550 CG GLU A 37 0.505 -2.418 12.242 1.00 0.00 C ATOM 551 CD GLU A 37 -0.189 -2.694 13.561 1.00 0.00 C ATOM 552 OE1 GLU A 37 -1.069 -3.580 13.595 1.00 0.00 O ATOM 553 OE2 GLU A 37 0.148 -2.025 14.562 1.00 0.00 O ATOM 0 H GLU A 37 1.027 -5.526 10.418 1.00 0.00 H new ATOM 0 HA GLU A 37 1.136 -2.810 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.978 -4.498 12.097 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.364 -3.465 12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.077 -1.494 12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.245 -2.262 11.467 1.00 0.00 H new ATOM 560 N ALA A 38 4.091 -4.188 10.314 1.00 0.00 N ATOM 561 CA ALA A 38 5.525 -3.984 10.140 1.00 0.00 C ATOM 562 C ALA A 38 5.829 -3.334 8.795 1.00 0.00 C ATOM 563 O ALA A 38 6.774 -2.554 8.671 1.00 0.00 O ATOM 564 CB ALA A 38 6.263 -5.307 10.270 1.00 0.00 C ATOM 0 H ALA A 38 3.831 -5.131 10.605 1.00 0.00 H new ATOM 0 HA ALA A 38 5.870 -3.309 10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.332 -5.142 10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.080 -5.730 11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.906 -5.999 9.507 1.00 0.00 H new ATOM 570 N GLN A 39 5.024 -3.660 7.789 1.00 0.00 N ATOM 571 CA GLN A 39 5.209 -3.109 6.452 1.00 0.00 C ATOM 572 C GLN A 39 4.677 -1.682 6.370 1.00 0.00 C ATOM 573 O GLN A 39 5.226 -0.844 5.655 1.00 0.00 O ATOM 574 CB GLN A 39 4.506 -3.987 5.415 1.00 0.00 C ATOM 575 CG GLN A 39 5.433 -4.967 4.717 1.00 0.00 C ATOM 576 CD GLN A 39 5.206 -6.399 5.159 1.00 0.00 C ATOM 577 OE1 GLN A 39 5.474 -6.758 6.305 1.00 0.00 O ATOM 578 NE2 GLN A 39 4.710 -7.228 4.247 1.00 0.00 N ATOM 0 H GLN A 39 4.237 -4.303 7.875 1.00 0.00 H new ATOM 0 HA GLN A 39 6.278 -3.090 6.240 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.706 -4.543 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.038 -3.347 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.286 -4.896 3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.468 -4.688 4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.502 -6.888 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.537 -8.204 4.486 1.00 0.00 H new ATOM 587 N LEU A 40 3.602 -1.414 7.103 1.00 0.00 N ATOM 588 CA LEU A 40 2.993 -0.089 7.111 1.00 0.00 C ATOM 589 C LEU A 40 3.818 0.886 7.944 1.00 0.00 C ATOM 590 O LEU A 40 3.894 2.074 7.634 1.00 0.00 O ATOM 591 CB LEU A 40 1.565 -0.162 7.655 1.00 0.00 C ATOM 592 CG LEU A 40 0.686 -1.244 7.025 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.628 -1.367 7.780 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.435 -0.938 5.556 1.00 0.00 C ATOM 0 H LEU A 40 3.134 -2.097 7.699 1.00 0.00 H new ATOM 0 HA LEU A 40 2.964 0.274 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.611 -0.333 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.086 0.806 7.506 1.00 0.00 H new ATOM 0 HG LEU A 40 1.210 -2.198 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.242 -2.141 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.428 -1.633 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.158 -0.415 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.192 -1.718 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.069 0.024 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.386 -0.901 5.024 1.00 0.00 H new ATOM 606 N THR A 41 4.436 0.374 9.004 1.00 0.00 N ATOM 607 CA THR A 41 5.256 1.198 9.883 1.00 0.00 C ATOM 608 C THR A 41 6.513 1.679 9.166 1.00 0.00 C ATOM 609 O THR A 41 7.080 2.714 9.514 1.00 0.00 O ATOM 610 CB THR A 41 5.641 0.412 11.138 1.00 0.00 C ATOM 611 OG1 THR A 41 6.437 -0.711 10.799 1.00 0.00 O ATOM 612 CG2 THR A 41 4.448 -0.088 11.921 1.00 0.00 C ATOM 0 H THR A 41 4.384 -0.608 9.274 1.00 0.00 H new ATOM 0 HA THR A 41 4.670 2.070 10.172 1.00 0.00 H new ATOM 0 HB THR A 41 6.193 1.114 11.762 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.272 -0.959 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.792 -0.637 12.798 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.840 0.759 12.239 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.850 -0.748 11.292 1.00 0.00 H new ATOM 620 N ASP A 42 6.945 0.920 8.164 1.00 0.00 N ATOM 621 CA ASP A 42 8.136 1.271 7.399 1.00 0.00 C ATOM 622 C ASP A 42 7.850 2.429 6.447 1.00 0.00 C ATOM 623 O ASP A 42 7.057 2.298 5.516 1.00 0.00 O ATOM 624 CB ASP A 42 8.637 0.060 6.609 1.00 0.00 C ATOM 625 CG ASP A 42 9.754 -0.675 7.324 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.230 -0.168 8.360 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.153 -1.757 6.845 1.00 0.00 O ATOM 0 H ASP A 42 6.489 0.059 7.863 1.00 0.00 H new ATOM 0 HA ASP A 42 8.909 1.583 8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.808 -0.626 6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.989 0.388 5.631 1.00 0.00 H new ATOM 632 N ALA A 43 8.503 3.560 6.690 1.00 0.00 N ATOM 633 CA ALA A 43 8.319 4.742 5.854 1.00 0.00 C ATOM 634 C ALA A 43 8.679 4.450 4.402 1.00 0.00 C ATOM 635 O ALA A 43 7.931 4.791 3.486 1.00 0.00 O ATOM 636 CB ALA A 43 9.153 5.899 6.384 1.00 0.00 C ATOM 0 H ALA A 43 9.163 3.684 7.457 1.00 0.00 H new ATOM 0 HA ALA A 43 7.266 5.021 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.006 6.774 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.845 6.133 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.207 5.620 6.379 1.00 0.00 H new ATOM 642 N GLU A 44 9.831 3.817 4.199 1.00 0.00 N ATOM 643 CA GLU A 44 10.292 3.481 2.858 1.00 0.00 C ATOM 644 C GLU A 44 9.345 2.495 2.182 1.00 0.00 C ATOM 645 O GLU A 44 9.107 2.575 0.977 1.00 0.00 O ATOM 646 CB GLU A 44 11.703 2.892 2.915 1.00 0.00 C ATOM 647 CG GLU A 44 12.297 2.600 1.546 1.00 0.00 C ATOM 648 CD GLU A 44 13.006 3.800 0.950 1.00 0.00 C ATOM 649 OE1 GLU A 44 12.314 4.754 0.536 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.253 3.787 0.898 1.00 0.00 O ATOM 0 H GLU A 44 10.461 3.527 4.947 1.00 0.00 H new ATOM 0 HA GLU A 44 10.309 4.398 2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.356 3.586 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.679 1.970 3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.000 1.771 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.504 2.279 0.871 1.00 0.00 H new ATOM 657 N THR A 45 8.810 1.563 2.965 1.00 0.00 N ATOM 658 CA THR A 45 7.892 0.560 2.439 1.00 0.00 C ATOM 659 C THR A 45 6.511 1.158 2.191 1.00 0.00 C ATOM 660 O THR A 45 5.747 0.661 1.365 1.00 0.00 O ATOM 661 CB THR A 45 7.780 -0.618 3.409 1.00 0.00 C ATOM 662 OG1 THR A 45 9.064 -1.125 3.731 1.00 0.00 O ATOM 663 CG2 THR A 45 6.955 -1.764 2.866 1.00 0.00 C ATOM 0 H THR A 45 8.996 1.482 3.965 1.00 0.00 H new ATOM 0 HA THR A 45 8.291 0.206 1.488 1.00 0.00 H new ATOM 0 HB THR A 45 7.280 -0.220 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.972 -1.876 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.916 -2.566 3.603 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.944 -1.416 2.654 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.410 -2.137 1.948 1.00 0.00 H new ATOM 671 N SER A 46 6.196 2.227 2.915 1.00 0.00 N ATOM 672 CA SER A 46 4.904 2.889 2.775 1.00 0.00 C ATOM 673 C SER A 46 4.777 3.558 1.411 1.00 0.00 C ATOM 674 O SER A 46 3.693 3.603 0.828 1.00 0.00 O ATOM 675 CB SER A 46 4.720 3.929 3.884 1.00 0.00 C ATOM 676 OG SER A 46 5.225 5.193 3.487 1.00 0.00 O ATOM 0 H SER A 46 6.816 2.653 3.604 1.00 0.00 H new ATOM 0 HA SER A 46 4.125 2.131 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.662 4.018 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.232 3.597 4.787 1.00 0.00 H new ATOM 0 HG SER A 46 6.184 5.118 3.301 1.00 0.00 H new ATOM 682 N LYS A 47 5.891 4.076 0.906 1.00 0.00 N ATOM 683 CA LYS A 47 5.905 4.754 -0.386 1.00 0.00 C ATOM 684 C LYS A 47 5.532 3.800 -1.517 1.00 0.00 C ATOM 685 O LYS A 47 4.635 4.084 -2.310 1.00 0.00 O ATOM 686 CB LYS A 47 7.286 5.356 -0.650 1.00 0.00 C ATOM 687 CG LYS A 47 7.245 6.639 -1.464 1.00 0.00 C ATOM 688 CD LYS A 47 8.300 7.629 -0.997 1.00 0.00 C ATOM 689 CE LYS A 47 7.945 8.228 0.353 1.00 0.00 C ATOM 690 NZ LYS A 47 9.107 8.230 1.283 1.00 0.00 N ATOM 0 H LYS A 47 6.798 4.040 1.372 1.00 0.00 H new ATOM 0 HA LYS A 47 5.162 5.551 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.774 5.556 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.899 4.623 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.402 6.408 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.257 7.092 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.266 7.128 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.404 8.426 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.589 9.249 0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.126 7.662 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.823 8.647 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.431 7.254 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.880 8.791 0.872 1.00 0.00 H new ATOM 704 N LEU A 48 6.230 2.672 -1.593 1.00 0.00 N ATOM 705 CA LEU A 48 5.982 1.690 -2.643 1.00 0.00 C ATOM 706 C LEU A 48 4.561 1.134 -2.560 1.00 0.00 C ATOM 707 O LEU A 48 4.001 0.688 -3.562 1.00 0.00 O ATOM 708 CB LEU A 48 7.002 0.550 -2.553 1.00 0.00 C ATOM 709 CG LEU A 48 6.708 -0.509 -1.487 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.809 -1.598 -2.053 1.00 0.00 C ATOM 711 CD2 LEU A 48 8.003 -1.106 -0.957 1.00 0.00 C ATOM 0 H LEU A 48 6.971 2.415 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 48 6.091 2.192 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.059 0.058 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.984 0.978 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 48 6.187 -0.029 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.610 -2.343 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.868 -1.158 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.304 -2.075 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.775 -1.857 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.551 -1.571 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.612 -0.318 -0.514 1.00 0.00 H new ATOM 723 N ILE A 49 3.988 1.157 -1.362 1.00 0.00 N ATOM 724 CA ILE A 49 2.639 0.641 -1.152 1.00 0.00 C ATOM 725 C ILE A 49 1.585 1.713 -1.398 1.00 0.00 C ATOM 726 O ILE A 49 0.438 1.398 -1.713 1.00 0.00 O ATOM 727 CB ILE A 49 2.465 0.079 0.275 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.500 -1.015 0.544 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.056 -0.462 0.468 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.627 -1.379 2.007 1.00 0.00 C ATOM 0 H ILE A 49 4.435 1.526 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 49 2.500 -0.165 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 49 2.622 0.889 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.230 -1.907 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.471 -0.685 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.952 -0.854 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.334 0.340 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.871 -1.260 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.378 -2.160 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.927 -0.499 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.667 -1.740 2.377 1.00 0.00 H new ATOM 742 N TYR A 50 1.967 2.979 -1.256 1.00 0.00 N ATOM 743 CA TYR A 50 1.017 4.063 -1.459 1.00 0.00 C ATOM 744 C TYR A 50 0.603 4.142 -2.928 1.00 0.00 C ATOM 745 O TYR A 50 -0.487 4.615 -3.248 1.00 0.00 O ATOM 746 CB TYR A 50 1.575 5.406 -0.913 1.00 0.00 C ATOM 747 CG TYR A 50 1.694 6.533 -1.926 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.619 6.474 -2.960 1.00 0.00 C ATOM 749 CD2 TYR A 50 0.872 7.651 -1.845 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.725 7.498 -3.881 1.00 0.00 C ATOM 751 CE2 TYR A 50 0.973 8.678 -2.762 1.00 0.00 C ATOM 752 CZ TYR A 50 1.901 8.598 -3.778 1.00 0.00 C ATOM 753 OH TYR A 50 2.004 9.619 -4.694 1.00 0.00 O ATOM 0 H TYR A 50 2.911 3.274 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 50 0.114 3.854 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.932 5.741 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.561 5.221 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.266 5.614 -3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.142 7.717 -1.052 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.451 7.437 -4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.328 9.540 -2.684 1.00 0.00 H new ATOM 0 HH TYR A 50 1.194 9.648 -5.244 1.00 0.00 H new ATOM 763 N ASP A 51 1.452 3.633 -3.811 1.00 0.00 N ATOM 764 CA ASP A 51 1.121 3.589 -5.224 1.00 0.00 C ATOM 765 C ASP A 51 -0.162 2.787 -5.439 1.00 0.00 C ATOM 766 O ASP A 51 -0.824 2.921 -6.469 1.00 0.00 O ATOM 767 CB ASP A 51 2.268 2.968 -6.024 1.00 0.00 C ATOM 768 CG ASP A 51 2.493 1.510 -5.679 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.820 1.009 -4.753 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.341 0.868 -6.334 1.00 0.00 O ATOM 0 H ASP A 51 2.367 3.249 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 51 0.965 4.609 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.054 3.057 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.184 3.528 -5.835 1.00 0.00 H new ATOM 775 N PHE A 52 -0.519 1.967 -4.447 1.00 0.00 N ATOM 776 CA PHE A 52 -1.715 1.141 -4.527 1.00 0.00 C ATOM 777 C PHE A 52 -2.950 1.897 -4.028 1.00 0.00 C ATOM 778 O PHE A 52 -3.897 2.109 -4.785 1.00 0.00 O ATOM 779 CB PHE A 52 -1.515 -0.150 -3.727 1.00 0.00 C ATOM 780 CG PHE A 52 -2.756 -0.990 -3.621 1.00 0.00 C ATOM 781 CD1 PHE A 52 -3.744 -0.677 -2.703 1.00 0.00 C ATOM 782 CD2 PHE A 52 -2.936 -2.089 -4.446 1.00 0.00 C ATOM 783 CE1 PHE A 52 -4.888 -1.446 -2.605 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.077 -2.862 -4.353 1.00 0.00 C ATOM 785 CZ PHE A 52 -5.055 -2.540 -3.431 1.00 0.00 C ATOM 0 H PHE A 52 0.008 1.861 -3.580 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.884 0.888 -5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.726 -0.739 -4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.171 0.103 -2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.619 0.178 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.176 -2.344 -5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.650 -1.192 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.205 -3.717 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.948 -3.143 -3.357 1.00 0.00 H new ATOM 795 N ILE A 53 -2.942 2.311 -2.758 1.00 0.00 N ATOM 796 CA ILE A 53 -4.075 3.062 -2.209 1.00 0.00 C ATOM 797 C ILE A 53 -4.213 4.413 -2.910 1.00 0.00 C ATOM 798 O ILE A 53 -5.277 5.032 -2.876 1.00 0.00 O ATOM 799 CB ILE A 53 -4.036 3.233 -0.659 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.218 2.113 -0.007 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.457 3.238 -0.115 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.268 2.125 1.505 1.00 0.00 C ATOM 0 H ILE A 53 -2.180 2.143 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.961 2.459 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.554 4.181 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.584 1.151 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.180 2.199 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.432 3.357 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.013 4.064 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.946 2.296 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.666 1.304 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.874 3.072 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.300 2.008 1.836 1.00 0.00 H new ATOM 814 N GLU A 54 -3.139 4.857 -3.567 1.00 0.00 N ATOM 815 CA GLU A 54 -3.155 6.124 -4.291 1.00 0.00 C ATOM 816 C GLU A 54 -3.734 5.950 -5.693 1.00 0.00 C ATOM 817 O GLU A 54 -4.581 6.729 -6.127 1.00 0.00 O ATOM 818 CB GLU A 54 -1.738 6.696 -4.387 1.00 0.00 C ATOM 819 CG GLU A 54 -1.695 8.141 -4.859 1.00 0.00 C ATOM 820 CD GLU A 54 -0.713 8.354 -5.993 1.00 0.00 C ATOM 821 OE1 GLU A 54 -0.387 7.369 -6.689 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.269 9.505 -6.186 1.00 0.00 O ATOM 0 H GLU A 54 -2.251 4.357 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.790 6.817 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.261 6.628 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.153 6.082 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.691 8.443 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.424 8.785 -4.022 1.00 0.00 H new ATOM 829 N ASP A 55 -3.248 4.937 -6.405 1.00 0.00 N ATOM 830 CA ASP A 55 -3.681 4.680 -7.775 1.00 0.00 C ATOM 831 C ASP A 55 -5.058 4.023 -7.822 1.00 0.00 C ATOM 832 O ASP A 55 -5.862 4.315 -8.707 1.00 0.00 O ATOM 833 CB ASP A 55 -2.661 3.789 -8.488 1.00 0.00 C ATOM 834 CG ASP A 55 -2.973 3.618 -9.962 1.00 0.00 C ATOM 835 OD1 ASP A 55 -4.147 3.344 -10.292 1.00 0.00 O ATOM 836 OD2 ASP A 55 -2.045 3.759 -10.785 1.00 0.00 O ATOM 0 H ASP A 55 -2.552 4.279 -6.054 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.751 5.642 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.666 4.220 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.639 2.811 -8.008 1.00 0.00 H new ATOM 841 N GLN A 56 -5.320 3.124 -6.880 1.00 0.00 N ATOM 842 CA GLN A 56 -6.594 2.416 -6.838 1.00 0.00 C ATOM 843 C GLN A 56 -7.767 3.392 -6.793 1.00 0.00 C ATOM 844 O GLN A 56 -8.893 3.039 -7.147 1.00 0.00 O ATOM 845 CB GLN A 56 -6.644 1.486 -5.624 1.00 0.00 C ATOM 846 CG GLN A 56 -5.772 0.250 -5.771 1.00 0.00 C ATOM 847 CD GLN A 56 -6.294 -0.712 -6.822 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.498 -0.789 -7.066 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.387 -1.450 -7.451 1.00 0.00 N ATOM 0 H GLN A 56 -4.669 2.869 -6.137 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.677 1.823 -7.749 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.330 2.039 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.675 1.176 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.759 0.554 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.712 -0.264 -4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.399 -1.353 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.678 -2.114 -8.169 1.00 0.00 H new ATOM 858 N GLY A 57 -7.497 4.621 -6.366 1.00 0.00 N ATOM 859 CA GLY A 57 -8.543 5.623 -6.285 1.00 0.00 C ATOM 860 C GLY A 57 -8.596 6.288 -4.928 1.00 0.00 C ATOM 861 O GLY A 57 -8.992 7.448 -4.809 1.00 0.00 O ATOM 0 H GLY A 57 -6.573 4.941 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.378 6.380 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.506 5.158 -6.497 1.00 0.00 H new ATOM 865 N GLY A 58 -8.195 5.551 -3.900 1.00 0.00 N ATOM 866 CA GLY A 58 -8.203 6.087 -2.555 1.00 0.00 C ATOM 867 C GLY A 58 -8.513 5.031 -1.513 1.00 0.00 C ATOM 868 O GLY A 58 -9.163 4.031 -1.806 1.00 0.00 O ATOM 0 H GLY A 58 -7.864 4.589 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.232 6.533 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.942 6.886 -2.490 1.00 0.00 H new ATOM 872 N LEU A 59 -8.042 5.257 -0.296 1.00 0.00 N ATOM 873 CA LEU A 59 -8.263 4.325 0.802 1.00 0.00 C ATOM 874 C LEU A 59 -9.753 4.180 1.103 1.00 0.00 C ATOM 875 O LEU A 59 -10.301 3.079 1.068 1.00 0.00 O ATOM 876 CB LEU A 59 -7.530 4.858 2.026 1.00 0.00 C ATOM 877 CG LEU A 59 -8.000 4.332 3.381 1.00 0.00 C ATOM 878 CD1 LEU A 59 -6.810 4.092 4.295 1.00 0.00 C ATOM 879 CD2 LEU A 59 -8.973 5.318 4.004 1.00 0.00 C ATOM 0 H LEU A 59 -7.501 6.083 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.885 3.339 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.471 4.626 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.619 5.944 2.032 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.513 3.381 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.160 3.717 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.144 3.359 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.271 5.028 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.306 4.939 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.478 6.279 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.834 5.444 3.347 1.00 0.00 H new ATOM 891 N GLU A 60 -10.408 5.307 1.356 1.00 0.00 N ATOM 892 CA GLU A 60 -11.846 5.319 1.583 1.00 0.00 C ATOM 893 C GLU A 60 -12.546 5.288 0.237 1.00 0.00 C ATOM 894 O GLU A 60 -13.599 4.671 0.071 1.00 0.00 O ATOM 895 CB GLU A 60 -12.261 6.564 2.371 1.00 0.00 C ATOM 896 CG GLU A 60 -12.117 7.858 1.584 1.00 0.00 C ATOM 897 CD GLU A 60 -12.829 9.024 2.243 1.00 0.00 C ATOM 898 OE1 GLU A 60 -13.494 8.805 3.277 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.720 10.154 1.725 1.00 0.00 O ATOM 0 H GLU A 60 -9.965 6.224 1.409 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.130 4.446 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.298 6.454 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.657 6.629 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.059 8.097 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.516 7.714 0.580 1.00 0.00 H new ATOM 906 N ALA A 61 -11.906 5.927 -0.733 1.00 0.00 N ATOM 907 CA ALA A 61 -12.376 5.939 -2.100 1.00 0.00 C ATOM 908 C ALA A 61 -12.481 4.509 -2.622 1.00 0.00 C ATOM 909 O ALA A 61 -13.327 4.198 -3.461 1.00 0.00 O ATOM 910 CB ALA A 61 -11.418 6.766 -2.944 1.00 0.00 C ATOM 0 H ALA A 61 -11.044 6.452 -0.587 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.367 6.389 -2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.764 6.781 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.381 7.785 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.422 6.325 -2.901 1.00 0.00 H new ATOM 916 N VAL A 62 -11.634 3.634 -2.079 1.00 0.00 N ATOM 917 CA VAL A 62 -11.651 2.219 -2.425 1.00 0.00 C ATOM 918 C VAL A 62 -12.750 1.515 -1.628 1.00 0.00 C ATOM 919 O VAL A 62 -13.427 0.622 -2.136 1.00 0.00 O ATOM 920 CB VAL A 62 -10.263 1.564 -2.160 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.356 0.057 -1.916 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.322 1.847 -3.322 1.00 0.00 C ATOM 0 H VAL A 62 -10.923 3.887 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.862 2.115 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.870 2.011 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.359 -0.345 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.985 -0.133 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.791 -0.427 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.354 1.385 -3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.743 1.435 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.194 2.924 -3.433 1.00 0.00 H new ATOM 932 N ARG A 63 -12.923 1.936 -0.377 1.00 0.00 N ATOM 933 CA ARG A 63 -13.953 1.367 0.479 1.00 0.00 C ATOM 934 C ARG A 63 -15.305 1.416 -0.219 1.00 0.00 C ATOM 935 O ARG A 63 -16.148 0.540 -0.032 1.00 0.00 O ATOM 936 CB ARG A 63 -14.022 2.123 1.807 1.00 0.00 C ATOM 937 CG ARG A 63 -13.935 1.220 3.027 1.00 0.00 C ATOM 938 CD ARG A 63 -14.798 1.739 4.166 1.00 0.00 C ATOM 939 NE ARG A 63 -15.953 0.880 4.415 1.00 0.00 N ATOM 940 CZ ARG A 63 -16.893 1.153 5.314 1.00 0.00 C ATOM 941 NH1 ARG A 63 -16.812 2.255 6.046 1.00 0.00 N ATOM 942 NH2 ARG A 63 -17.913 0.323 5.483 1.00 0.00 N ATOM 0 H ARG A 63 -12.364 2.667 0.062 1.00 0.00 H new ATOM 0 HA ARG A 63 -13.697 0.327 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.210 2.849 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -14.955 2.685 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.252 0.212 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -12.898 1.151 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.197 1.810 5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.140 2.747 3.931 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.043 0.023 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.028 2.895 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.534 2.463 6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.977 -0.527 4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.633 0.534 6.173 1.00 0.00 H new ATOM 956 N GLN A 64 -15.492 2.439 -1.047 1.00 0.00 N ATOM 957 CA GLN A 64 -16.731 2.591 -1.800 1.00 0.00 C ATOM 958 C GLN A 64 -16.785 1.588 -2.949 1.00 0.00 C ATOM 959 O GLN A 64 -17.863 1.181 -3.383 1.00 0.00 O ATOM 960 CB GLN A 64 -16.855 4.016 -2.343 1.00 0.00 C ATOM 961 CG GLN A 64 -17.002 5.070 -1.257 1.00 0.00 C ATOM 962 CD GLN A 64 -16.570 6.447 -1.718 1.00 0.00 C ATOM 963 OE1 GLN A 64 -16.996 6.924 -2.770 1.00 0.00 O ATOM 964 NE2 GLN A 64 -15.718 7.095 -0.932 1.00 0.00 N ATOM 0 H GLN A 64 -14.803 3.173 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.566 2.398 -1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.975 4.245 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.717 4.069 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.042 5.109 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.409 4.778 -0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.390 6.662 -0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.391 8.026 -1.192 1.00 0.00 H new ATOM 973 N GLU A 65 -15.611 1.195 -3.435 1.00 0.00 N ATOM 974 CA GLU A 65 -15.516 0.235 -4.530 1.00 0.00 C ATOM 975 C GLU A 65 -15.565 -1.199 -4.011 1.00 0.00 C ATOM 976 O GLU A 65 -16.162 -2.074 -4.638 1.00 0.00 O ATOM 977 CB GLU A 65 -14.223 0.460 -5.318 1.00 0.00 C ATOM 978 CG GLU A 65 -13.980 -0.584 -6.396 1.00 0.00 C ATOM 979 CD GLU A 65 -14.001 0.003 -7.794 1.00 0.00 C ATOM 980 OE1 GLU A 65 -13.568 1.164 -7.957 1.00 0.00 O ATOM 981 OE2 GLU A 65 -14.447 -0.699 -8.726 1.00 0.00 O ATOM 0 H GLU A 65 -14.711 1.527 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.371 0.389 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.255 1.447 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.381 0.459 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.016 -1.063 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.740 -1.361 -6.321 1.00 0.00 H new ATOM 988 N MET A 66 -14.928 -1.436 -2.867 1.00 0.00 N ATOM 989 CA MET A 66 -14.897 -2.768 -2.271 1.00 0.00 C ATOM 990 C MET A 66 -16.299 -3.360 -2.185 1.00 0.00 C ATOM 991 O MET A 66 -16.493 -4.558 -2.397 1.00 0.00 O ATOM 992 CB MET A 66 -14.267 -2.716 -0.878 1.00 0.00 C ATOM 993 CG MET A 66 -12.863 -3.298 -0.822 1.00 0.00 C ATOM 994 SD MET A 66 -12.821 -4.953 -0.111 1.00 0.00 S ATOM 995 CE MET A 66 -11.072 -5.132 0.227 1.00 0.00 C ATOM 0 H MET A 66 -14.427 -0.724 -2.335 1.00 0.00 H new ATOM 0 HA MET A 66 -14.290 -3.408 -2.912 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.235 -1.680 -0.541 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.904 -3.259 -0.180 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.447 -3.330 -1.829 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.224 -2.639 -0.234 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.932 -5.798 1.078 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.573 -5.551 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.644 -4.156 0.456 1.00 0.00 H new ATOM 1005 N ARG A 67 -17.275 -2.514 -1.875 1.00 0.00 N ATOM 1006 CA ARG A 67 -18.661 -2.952 -1.769 1.00 0.00 C ATOM 1007 C ARG A 67 -19.321 -2.990 -3.143 1.00 0.00 C ATOM 1008 O ARG A 67 -20.247 -3.765 -3.378 1.00 0.00 O ATOM 1009 CB ARG A 67 -19.442 -2.023 -0.838 1.00 0.00 C ATOM 1010 CG ARG A 67 -19.169 -2.269 0.635 1.00 0.00 C ATOM 1011 CD ARG A 67 -20.159 -1.526 1.517 1.00 0.00 C ATOM 1012 NE ARG A 67 -21.535 -1.934 1.258 1.00 0.00 N ATOM 1013 CZ ARG A 67 -22.591 -1.362 1.827 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -22.425 -0.364 2.685 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -23.813 -1.789 1.541 1.00 0.00 N ATOM 0 H ARG A 67 -17.132 -1.521 -1.693 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.670 -3.959 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.193 -0.989 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -20.508 -2.146 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.225 -3.337 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.155 -1.950 0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.918 -1.707 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.061 -0.454 1.348 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.696 -2.700 0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.486 -0.035 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.236 0.074 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.944 -2.558 0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.622 -1.349 1.979 1.00 0.00 H new ATOM 1029 N ARG A 68 -18.833 -2.148 -4.048 1.00 0.00 N ATOM 1030 CA ARG A 68 -19.369 -2.086 -5.402 1.00 0.00 C ATOM 1031 C ARG A 68 -19.153 -3.406 -6.132 1.00 0.00 C ATOM 1032 O ARG A 68 -20.033 -3.884 -6.847 1.00 0.00 O ATOM 1033 CB ARG A 68 -18.707 -0.947 -6.181 1.00 0.00 C ATOM 1034 CG ARG A 68 -19.658 -0.218 -7.116 1.00 0.00 C ATOM 1035 CD ARG A 68 -19.198 -0.309 -8.562 1.00 0.00 C ATOM 1036 NE ARG A 68 -20.097 0.400 -9.468 1.00 0.00 N ATOM 1037 CZ ARG A 68 -19.910 0.474 -10.781 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -18.861 -0.114 -11.338 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -20.773 1.138 -11.539 1.00 0.00 N ATOM 0 H ARG A 68 -18.067 -1.499 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 68 -20.441 -1.899 -5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.285 -0.232 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -17.877 -1.349 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.657 -0.643 -7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.728 0.829 -6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -18.194 0.106 -8.650 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.137 -1.356 -8.858 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.914 0.864 -9.071 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -18.195 -0.625 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.720 -0.056 -12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -21.581 1.592 -11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -20.628 1.194 -12.547 1.00 0.00 H new ATOM 1053 N GLN A 69 -17.974 -3.991 -5.946 1.00 0.00 N ATOM 1054 CA GLN A 69 -17.639 -5.256 -6.586 1.00 0.00 C ATOM 1055 C GLN A 69 -18.730 -6.294 -6.350 1.00 0.00 C ATOM 1056 O GLN A 69 -19.258 -6.414 -5.244 1.00 0.00 O ATOM 1057 CB GLN A 69 -16.301 -5.778 -6.060 1.00 0.00 C ATOM 1058 CG GLN A 69 -15.389 -6.319 -7.148 1.00 0.00 C ATOM 1059 CD GLN A 69 -15.055 -7.785 -6.953 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -15.164 -8.317 -5.848 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -14.648 -8.447 -8.029 1.00 0.00 N ATOM 0 H GLN A 69 -17.235 -3.608 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.558 -5.080 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.788 -4.973 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.489 -6.566 -5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.868 -6.185 -8.118 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.466 -5.739 -7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.572 -7.966 -8.925 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.411 -9.437 -7.960 1.00 0.00 H new ATOM 1070 N GLY A 70 -19.065 -7.042 -7.396 1.00 0.00 N ATOM 1071 CA GLY A 70 -20.091 -8.061 -7.282 1.00 0.00 C ATOM 1072 C GLY A 70 -20.141 -8.974 -8.490 1.00 0.00 C ATOM 1073 O GLY A 70 -19.203 -9.012 -9.288 1.00 0.00 O ATOM 0 H GLY A 70 -18.644 -6.960 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.908 -8.657 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -21.061 -7.582 -7.153 1.00 0.00 H new ATOM 1077 N GLY A 71 -21.236 -9.713 -8.625 1.00 0.00 N ATOM 1078 CA GLY A 71 -21.386 -10.621 -9.746 1.00 0.00 C ATOM 1079 C GLY A 71 -22.839 -10.904 -10.070 1.00 0.00 C ATOM 1080 O GLY A 71 -23.646 -11.145 -9.172 1.00 0.00 O ATOM 0 H GLY A 71 -22.024 -9.699 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.897 -10.196 -10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.877 -11.559 -9.521 1.00 0.00 H new ATOM 1084 N SER A 72 -23.175 -10.872 -11.355 1.00 0.00 N ATOM 1085 CA SER A 72 -24.542 -11.126 -11.794 1.00 0.00 C ATOM 1086 C SER A 72 -24.894 -12.603 -11.653 1.00 0.00 C ATOM 1087 O SER A 72 -24.907 -13.344 -12.636 1.00 0.00 O ATOM 1088 CB SER A 72 -24.722 -10.682 -13.246 1.00 0.00 C ATOM 1089 OG SER A 72 -23.491 -10.717 -13.947 1.00 0.00 O ATOM 0 H SER A 72 -22.519 -10.673 -12.111 1.00 0.00 H new ATOM 0 HA SER A 72 -25.215 -10.550 -11.159 1.00 0.00 H new ATOM 0 HB2 SER A 72 -25.444 -11.331 -13.741 1.00 0.00 H new ATOM 0 HB3 SER A 72 -25.130 -9.672 -13.273 1.00 0.00 H new ATOM 0 HG SER A 72 -23.634 -10.430 -14.873 1.00 0.00 H new ATOM 1095 N GLY A 73 -25.182 -13.024 -10.427 1.00 0.00 N ATOM 1096 CA GLY A 73 -25.533 -14.411 -10.182 1.00 0.00 C ATOM 1097 C GLY A 73 -25.337 -14.812 -8.734 1.00 0.00 C ATOM 1098 O GLY A 73 -26.249 -15.348 -8.103 1.00 0.00 O ATOM 0 H GLY A 73 -25.179 -12.430 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -26.573 -14.574 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -24.926 -15.054 -10.819 1.00 0.00 H new ATOM 1102 N GLY A 74 -24.145 -14.556 -8.206 1.00 0.00 N ATOM 1103 CA GLY A 74 -23.855 -14.904 -6.827 1.00 0.00 C ATOM 1104 C GLY A 74 -22.643 -14.173 -6.283 1.00 0.00 C ATOM 1105 O GLY A 74 -22.230 -13.150 -6.829 1.00 0.00 O ATOM 0 H GLY A 74 -23.375 -14.114 -8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -24.722 -14.673 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -23.689 -15.979 -6.755 1.00 0.00 H new ATOM 1109 N SER A 75 -22.073 -14.699 -5.204 1.00 0.00 N ATOM 1110 CA SER A 75 -20.901 -14.093 -4.583 1.00 0.00 C ATOM 1111 C SER A 75 -19.633 -14.852 -4.959 1.00 0.00 C ATOM 1112 O SER A 75 -19.270 -15.835 -4.312 1.00 0.00 O ATOM 1113 CB SER A 75 -21.061 -14.066 -3.062 1.00 0.00 C ATOM 1114 OG SER A 75 -21.800 -12.931 -2.647 1.00 0.00 O ATOM 0 H SER A 75 -22.404 -15.545 -4.741 1.00 0.00 H new ATOM 0 HA SER A 75 -20.813 -13.071 -4.950 1.00 0.00 H new ATOM 0 HB2 SER A 75 -21.565 -14.973 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 75 -20.079 -14.057 -2.590 1.00 0.00 H new ATOM 0 HG SER A 75 -21.890 -12.938 -1.671 1.00 0.00 H new ATOM 1120 N GLN A 76 -18.964 -14.390 -6.010 1.00 0.00 N ATOM 1121 CA GLN A 76 -17.738 -15.027 -6.475 1.00 0.00 C ATOM 1122 C GLN A 76 -16.531 -14.125 -6.239 1.00 0.00 C ATOM 1123 O GLN A 76 -15.997 -13.529 -7.174 1.00 0.00 O ATOM 1124 CB GLN A 76 -17.849 -15.366 -7.962 1.00 0.00 C ATOM 1125 CG GLN A 76 -18.352 -16.774 -8.230 1.00 0.00 C ATOM 1126 CD GLN A 76 -19.497 -16.804 -9.223 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -19.327 -16.465 -10.395 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -20.673 -17.208 -8.757 1.00 0.00 N ATOM 0 H GLN A 76 -19.250 -13.577 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 76 -17.599 -15.947 -5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -18.521 -14.652 -8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -16.871 -15.244 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -17.531 -17.383 -8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -18.677 -17.225 -7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -20.768 -17.480 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -21.482 -17.247 -9.378 1.00 0.00 H new ATOM 1137 N SER A 77 -16.105 -14.032 -4.984 1.00 0.00 N ATOM 1138 CA SER A 77 -14.958 -13.205 -4.627 1.00 0.00 C ATOM 1139 C SER A 77 -13.677 -13.771 -5.227 1.00 0.00 C ATOM 1140 O SER A 77 -13.598 -14.959 -5.541 1.00 0.00 O ATOM 1141 CB SER A 77 -14.825 -13.114 -3.105 1.00 0.00 C ATOM 1142 OG SER A 77 -15.921 -12.421 -2.537 1.00 0.00 O ATOM 0 H SER A 77 -16.536 -14.518 -4.198 1.00 0.00 H new ATOM 0 HA SER A 77 -15.119 -12.206 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.766 -14.117 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.896 -12.605 -2.848 1.00 0.00 H new ATOM 0 HG SER A 77 -15.812 -12.378 -1.564 1.00 0.00 H new ATOM 1148 N SER A 78 -12.674 -12.914 -5.385 1.00 0.00 N ATOM 1149 CA SER A 78 -11.396 -13.330 -5.951 1.00 0.00 C ATOM 1150 C SER A 78 -10.280 -12.377 -5.538 1.00 0.00 C ATOM 1151 O SER A 78 -10.482 -11.490 -4.710 1.00 0.00 O ATOM 1152 CB SER A 78 -11.488 -13.393 -7.476 1.00 0.00 C ATOM 1153 OG SER A 78 -12.686 -14.028 -7.890 1.00 0.00 O ATOM 0 H SER A 78 -12.721 -11.928 -5.129 1.00 0.00 H new ATOM 0 HA SER A 78 -11.163 -14.322 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.446 -12.385 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.630 -13.935 -7.873 1.00 0.00 H new ATOM 0 HG SER A 78 -12.929 -14.722 -7.242 1.00 0.00 H new ATOM 1159 N GLU A 79 -9.104 -12.566 -6.126 1.00 0.00 N ATOM 1160 CA GLU A 79 -7.956 -11.722 -5.824 1.00 0.00 C ATOM 1161 C GLU A 79 -8.138 -10.309 -6.372 1.00 0.00 C ATOM 1162 O GLU A 79 -7.339 -9.423 -6.082 1.00 0.00 O ATOM 1163 CB GLU A 79 -6.679 -12.338 -6.400 1.00 0.00 C ATOM 1164 CG GLU A 79 -6.821 -12.794 -7.843 1.00 0.00 C ATOM 1165 CD GLU A 79 -6.649 -14.292 -8.000 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -5.564 -14.805 -7.655 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -7.600 -14.953 -8.469 1.00 0.00 O ATOM 0 H GLU A 79 -8.922 -13.296 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.872 -11.657 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.872 -11.608 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.387 -13.190 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.803 -12.503 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.081 -12.281 -8.457 1.00 0.00 H new ATOM 1174 N GLY A 80 -9.198 -10.088 -7.152 1.00 0.00 N ATOM 1175 CA GLY A 80 -9.446 -8.767 -7.710 1.00 0.00 C ATOM 1176 C GLY A 80 -9.244 -7.657 -6.692 1.00 0.00 C ATOM 1177 O GLY A 80 -9.718 -7.758 -5.562 1.00 0.00 O ATOM 0 H GLY A 80 -9.886 -10.797 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.780 -8.604 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.466 -8.723 -8.092 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.502 -6.623 -7.087 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.198 -5.491 -6.215 1.00 0.00 C ATOM 1183 C LEU A 81 -7.081 -5.830 -5.232 1.00 0.00 C ATOM 1184 O LEU A 81 -6.081 -5.116 -5.150 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.440 -5.025 -5.450 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.249 -3.727 -4.669 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.957 -2.574 -5.617 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.472 -3.427 -3.817 1.00 0.00 C ATOM 0 H LEU A 81 -8.096 -6.547 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.861 -4.677 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.259 -4.892 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.741 -5.811 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.394 -3.849 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.824 -1.657 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.047 -2.786 -6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.790 -2.452 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.315 -2.498 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.347 -3.326 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.632 -4.242 -3.111 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.255 -6.912 -4.481 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.256 -7.327 -3.504 1.00 0.00 C ATOM 1202 C VAL A 82 -4.995 -7.836 -4.193 1.00 0.00 C ATOM 1203 O VAL A 82 -3.891 -7.706 -3.665 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.807 -8.420 -2.572 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.765 -8.817 -1.538 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.086 -7.944 -1.902 1.00 0.00 C ATOM 0 H VAL A 82 -8.076 -7.516 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.006 -6.450 -2.908 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.041 -9.302 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.174 -9.591 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.878 -9.199 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.496 -7.946 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.466 -8.727 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.879 -7.048 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.832 -7.715 -2.663 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.166 -8.404 -5.381 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.035 -8.908 -6.134 1.00 0.00 C ATOM 1218 C GLY A 83 -3.165 -7.790 -6.666 1.00 0.00 C ATOM 1219 O GLY A 83 -1.940 -7.907 -6.698 1.00 0.00 O ATOM 0 H GLY A 83 -6.071 -8.524 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.438 -9.561 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.394 -9.515 -6.965 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.800 -6.695 -7.073 1.00 0.00 N ATOM 1224 CA ALA A 84 -3.077 -5.539 -7.586 1.00 0.00 C ATOM 1225 C ALA A 84 -1.976 -5.121 -6.617 1.00 0.00 C ATOM 1226 O ALA A 84 -0.965 -4.545 -7.019 1.00 0.00 O ATOM 1227 CB ALA A 84 -4.035 -4.385 -7.834 1.00 0.00 C ATOM 0 H ALA A 84 -4.814 -6.585 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.612 -5.814 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.481 -3.528 -8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.787 -4.687 -8.563 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.525 -4.112 -6.900 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.180 -5.427 -5.340 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.206 -5.098 -4.308 1.00 0.00 C ATOM 1235 C LEU A 85 -0.136 -6.182 -4.212 1.00 0.00 C ATOM 1236 O LEU A 85 1.042 -5.890 -4.009 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.905 -4.935 -2.957 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.322 -3.849 -2.052 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -2.015 -3.858 -0.698 1.00 0.00 C ATOM 1240 CD2 LEU A 85 0.178 -4.040 -1.889 1.00 0.00 C ATOM 0 H LEU A 85 -3.013 -5.903 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.725 -4.158 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.957 -4.712 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.866 -5.887 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.494 -2.879 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.588 -3.079 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.081 -3.672 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.873 -4.829 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.576 -3.258 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.374 -5.015 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.660 -3.984 -2.865 1.00 0.00 H new ATOM 1252 N MET A 86 -0.558 -7.433 -4.367 1.00 0.00 N ATOM 1253 CA MET A 86 0.360 -8.563 -4.304 1.00 0.00 C ATOM 1254 C MET A 86 1.493 -8.398 -5.313 1.00 0.00 C ATOM 1255 O MET A 86 2.628 -8.801 -5.058 1.00 0.00 O ATOM 1256 CB MET A 86 -0.388 -9.871 -4.575 1.00 0.00 C ATOM 1257 CG MET A 86 -1.599 -10.082 -3.679 1.00 0.00 C ATOM 1258 SD MET A 86 -2.353 -11.706 -3.906 1.00 0.00 S ATOM 1259 CE MET A 86 -4.094 -11.294 -3.800 1.00 0.00 C ATOM 0 H MET A 86 -1.531 -7.689 -4.537 1.00 0.00 H new ATOM 0 HA MET A 86 0.788 -8.596 -3.302 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.711 -9.885 -5.616 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.300 -10.706 -4.443 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.300 -9.966 -2.637 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.339 -9.309 -3.886 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.535 -11.796 -2.939 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.207 -10.216 -3.688 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.601 -11.620 -4.708 1.00 0.00 H new ATOM 1269 N HIS A 87 1.175 -7.804 -6.459 1.00 0.00 N ATOM 1270 CA HIS A 87 2.163 -7.587 -7.511 1.00 0.00 C ATOM 1271 C HIS A 87 3.104 -6.442 -7.149 1.00 0.00 C ATOM 1272 O HIS A 87 4.244 -6.392 -7.612 1.00 0.00 O ATOM 1273 CB HIS A 87 1.463 -7.287 -8.838 1.00 0.00 C ATOM 1274 CG HIS A 87 0.747 -8.467 -9.418 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.705 -8.731 -10.771 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.043 -9.457 -8.820 1.00 0.00 C ATOM 1277 CE1 HIS A 87 0.005 -9.833 -10.980 1.00 0.00 C ATOM 1278 NE2 HIS A 87 -0.406 -10.292 -9.814 1.00 0.00 N ATOM 0 H HIS A 87 0.240 -7.464 -6.683 1.00 0.00 H new ATOM 0 HA HIS A 87 2.754 -8.497 -7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.749 -6.477 -8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.202 -6.931 -9.557 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.133 -9.569 -7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.196 -10.281 -11.942 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.967 -11.132 -9.673 1.00 0.00 H new ATOM 1287 N VAL A 88 2.618 -5.524 -6.321 1.00 0.00 N ATOM 1288 CA VAL A 88 3.412 -4.375 -5.902 1.00 0.00 C ATOM 1289 C VAL A 88 4.368 -4.741 -4.768 1.00 0.00 C ATOM 1290 O VAL A 88 5.360 -4.050 -4.535 1.00 0.00 O ATOM 1291 CB VAL A 88 2.515 -3.212 -5.444 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.352 -1.985 -5.121 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.473 -2.893 -6.506 1.00 0.00 C ATOM 0 H VAL A 88 1.678 -5.553 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 88 3.991 -4.062 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 88 1.994 -3.515 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.699 -1.174 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.055 -2.224 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.903 -1.676 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.847 -2.068 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.973 -2.611 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.852 -3.771 -6.682 1.00 0.00 H new ATOM 1303 N MET A 89 4.061 -5.825 -4.062 1.00 0.00 N ATOM 1304 CA MET A 89 4.896 -6.275 -2.955 1.00 0.00 C ATOM 1305 C MET A 89 6.113 -7.039 -3.467 1.00 0.00 C ATOM 1306 O MET A 89 7.134 -7.126 -2.784 1.00 0.00 O ATOM 1307 CB MET A 89 4.085 -7.163 -2.009 1.00 0.00 C ATOM 1308 CG MET A 89 3.458 -6.404 -0.852 1.00 0.00 C ATOM 1309 SD MET A 89 4.631 -6.067 0.476 1.00 0.00 S ATOM 1310 CE MET A 89 5.009 -4.343 0.168 1.00 0.00 C ATOM 0 H MET A 89 3.242 -6.407 -4.237 1.00 0.00 H new ATOM 0 HA MET A 89 5.243 -5.396 -2.412 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.298 -7.660 -2.576 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.733 -7.944 -1.612 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.050 -5.462 -1.219 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.622 -6.980 -0.455 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.199 -3.837 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.893 -4.272 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.165 -3.869 -0.333 1.00 0.00 H new ATOM 1320 N GLN A 90 5.998 -7.591 -4.671 1.00 0.00 N ATOM 1321 CA GLN A 90 7.087 -8.351 -5.270 1.00 0.00 C ATOM 1322 C GLN A 90 8.275 -7.448 -5.584 1.00 0.00 C ATOM 1323 O GLN A 90 9.421 -7.897 -5.604 1.00 0.00 O ATOM 1324 CB GLN A 90 6.610 -9.047 -6.546 1.00 0.00 C ATOM 1325 CG GLN A 90 5.195 -9.594 -6.448 1.00 0.00 C ATOM 1326 CD GLN A 90 5.131 -11.091 -6.680 1.00 0.00 C ATOM 1327 OE1 GLN A 90 4.444 -11.561 -7.587 1.00 0.00 O ATOM 1328 NE2 GLN A 90 5.846 -11.849 -5.857 1.00 0.00 N ATOM 0 H GLN A 90 5.161 -7.526 -5.250 1.00 0.00 H new ATOM 0 HA GLN A 90 7.408 -9.105 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.661 -8.342 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.291 -9.865 -6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.788 -9.365 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.563 -9.089 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.401 -11.417 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.840 -12.863 -5.963 1.00 0.00 H new ATOM 1337 N LYS A 91 7.994 -6.172 -5.830 1.00 0.00 N ATOM 1338 CA LYS A 91 9.039 -5.206 -6.144 1.00 0.00 C ATOM 1339 C LYS A 91 10.021 -5.066 -4.985 1.00 0.00 C ATOM 1340 O LYS A 91 11.236 -5.124 -5.177 1.00 0.00 O ATOM 1341 CB LYS A 91 8.422 -3.845 -6.469 1.00 0.00 C ATOM 1342 CG LYS A 91 9.317 -2.959 -7.320 1.00 0.00 C ATOM 1343 CD LYS A 91 9.661 -3.623 -8.644 1.00 0.00 C ATOM 1344 CE LYS A 91 9.896 -2.595 -9.737 1.00 0.00 C ATOM 1345 NZ LYS A 91 10.672 -3.160 -10.876 1.00 0.00 N ATOM 0 H LYS A 91 7.051 -5.784 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 91 9.584 -5.570 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.477 -3.999 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.193 -3.328 -5.537 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.818 -2.008 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.234 -2.735 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.553 -4.238 -8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.851 -4.291 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.937 -2.225 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.431 -1.740 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.810 -2.426 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.598 -3.490 -10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.150 -3.959 -11.289 1.00 0.00 H new ATOM 1359 N ARG A 92 9.486 -4.882 -3.782 1.00 0.00 N ATOM 1360 CA ARG A 92 10.314 -4.731 -2.590 1.00 0.00 C ATOM 1361 C ARG A 92 11.359 -5.838 -2.505 1.00 0.00 C ATOM 1362 O ARG A 92 12.503 -5.598 -2.123 1.00 0.00 O ATOM 1363 CB ARG A 92 9.440 -4.742 -1.335 1.00 0.00 C ATOM 1364 CG ARG A 92 10.220 -4.527 -0.048 1.00 0.00 C ATOM 1365 CD ARG A 92 10.728 -3.099 0.062 1.00 0.00 C ATOM 1366 NE ARG A 92 12.176 -3.021 -0.101 1.00 0.00 N ATOM 1367 CZ ARG A 92 13.044 -3.452 0.809 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.608 -3.987 1.942 1.00 0.00 N ATOM 1369 NH2 ARG A 92 14.347 -3.348 0.586 1.00 0.00 N ATOM 0 H ARG A 92 8.482 -4.834 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 92 10.832 -3.775 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.681 -3.965 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.915 -5.695 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.584 -4.755 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.062 -5.218 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.244 -2.482 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.450 -2.689 1.033 1.00 0.00 H new ATOM 0 HE ARG A 92 12.543 -2.613 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.606 -4.068 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.275 -4.317 2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.684 -2.937 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.012 -3.679 1.285 1.00 0.00 H new ATOM 1383 N SER A 93 10.957 -7.053 -2.863 1.00 0.00 N ATOM 1384 CA SER A 93 11.858 -8.198 -2.825 1.00 0.00 C ATOM 1385 C SER A 93 12.731 -8.245 -4.075 1.00 0.00 C ATOM 1386 O SER A 93 13.840 -8.779 -4.051 1.00 0.00 O ATOM 1387 CB SER A 93 11.061 -9.498 -2.696 1.00 0.00 C ATOM 1388 OG SER A 93 11.882 -10.556 -2.232 1.00 0.00 O ATOM 0 H SER A 93 10.013 -7.270 -3.183 1.00 0.00 H new ATOM 0 HA SER A 93 12.506 -8.090 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.228 -9.351 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.633 -9.763 -3.663 1.00 0.00 H new ATOM 0 HG SER A 93 11.349 -11.375 -2.157 1.00 0.00 H new ATOM 1394 N ARG A 94 12.225 -7.678 -5.166 1.00 0.00 N ATOM 1395 CA ARG A 94 12.960 -7.651 -6.426 1.00 0.00 C ATOM 1396 C ARG A 94 14.044 -6.576 -6.409 1.00 0.00 C ATOM 1397 O ARG A 94 14.988 -6.623 -7.196 1.00 0.00 O ATOM 1398 CB ARG A 94 12.003 -7.406 -7.593 1.00 0.00 C ATOM 1399 CG ARG A 94 11.970 -8.543 -8.601 1.00 0.00 C ATOM 1400 CD ARG A 94 12.883 -8.265 -9.786 1.00 0.00 C ATOM 1401 NE ARG A 94 12.390 -8.885 -11.013 1.00 0.00 N ATOM 1402 CZ ARG A 94 12.975 -8.740 -12.198 1.00 0.00 C ATOM 1403 NH1 ARG A 94 14.070 -8.000 -12.315 1.00 0.00 N ATOM 1404 NH2 ARG A 94 12.465 -9.336 -13.268 1.00 0.00 N ATOM 0 H ARG A 94 11.309 -7.231 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 94 13.441 -8.621 -6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.998 -7.249 -7.201 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.293 -6.487 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.275 -9.470 -8.115 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.949 -8.689 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.969 -7.188 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.884 -8.638 -9.568 1.00 0.00 H new ATOM 0 HE ARG A 94 11.550 -9.461 -10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.465 -7.541 -11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.517 -7.891 -13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.623 -9.906 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.914 -9.224 -14.177 1.00 0.00 H new ATOM 1418 N ALA A 95 13.903 -5.606 -5.509 1.00 0.00 N ATOM 1419 CA ALA A 95 14.871 -4.522 -5.398 1.00 0.00 C ATOM 1420 C ALA A 95 15.949 -4.848 -4.368 1.00 0.00 C ATOM 1421 O ALA A 95 15.652 -5.066 -3.194 1.00 0.00 O ATOM 1422 CB ALA A 95 14.165 -3.223 -5.032 1.00 0.00 C ATOM 0 H ALA A 95 13.128 -5.550 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 95 15.357 -4.401 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.898 -2.420 -4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.438 -2.974 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.653 -3.344 -4.077 1.00 0.00 H new ATOM 1428 N ILE A 96 17.200 -4.876 -4.815 1.00 0.00 N ATOM 1429 CA ILE A 96 18.322 -5.165 -3.929 1.00 0.00 C ATOM 1430 C ILE A 96 19.315 -4.004 -3.901 1.00 0.00 C ATOM 1431 O ILE A 96 20.470 -4.172 -3.514 1.00 0.00 O ATOM 1432 CB ILE A 96 19.060 -6.455 -4.347 1.00 0.00 C ATOM 1433 CG1 ILE A 96 18.065 -7.607 -4.520 1.00 0.00 C ATOM 1434 CG2 ILE A 96 20.123 -6.818 -3.318 1.00 0.00 C ATOM 1435 CD1 ILE A 96 17.199 -7.483 -5.753 1.00 0.00 C ATOM 0 H ILE A 96 17.463 -4.702 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 96 17.906 -5.307 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 96 19.553 -6.278 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 96 18.615 -8.547 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.424 -7.657 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 96 20.633 -7.730 -3.628 1.00 0.00 H new ATOM 0 HG22 ILE A 96 20.846 -6.006 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 96 19.651 -6.978 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 96 16.520 -8.334 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 96 16.621 -6.561 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.831 -7.465 -6.641 1.00 0.00 H new ATOM 1447 N HIS A 97 18.858 -2.820 -4.304 1.00 0.00 N ATOM 1448 CA HIS A 97 19.711 -1.638 -4.313 1.00 0.00 C ATOM 1449 C HIS A 97 20.023 -1.183 -2.891 1.00 0.00 C ATOM 1450 O HIS A 97 19.193 -0.554 -2.234 1.00 0.00 O ATOM 1451 CB HIS A 97 19.037 -0.503 -5.088 1.00 0.00 C ATOM 1452 CG HIS A 97 19.290 -0.552 -6.563 1.00 0.00 C ATOM 1453 ND1 HIS A 97 19.885 0.480 -7.259 1.00 0.00 N ATOM 1454 CD2 HIS A 97 19.022 -1.515 -7.478 1.00 0.00 C ATOM 1455 CE1 HIS A 97 19.973 0.153 -8.537 1.00 0.00 C ATOM 1456 NE2 HIS A 97 19.457 -1.051 -8.695 1.00 0.00 N ATOM 0 H HIS A 97 17.905 -2.656 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 97 20.647 -1.899 -4.806 1.00 0.00 H new ATOM 0 HB2 HIS A 97 17.962 -0.541 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 97 19.391 0.452 -4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 97 18.554 -2.469 -7.286 1.00 0.00 H new ATOM 0 HE1 HIS A 97 20.395 0.767 -9.319 1.00 0.00 H new ATOM 0 HE2 HIS A 97 19.392 -1.556 -9.579 1.00 0.00 H new ATOM 1465 N SER A 98 21.221 -1.511 -2.419 1.00 0.00 N ATOM 1466 CA SER A 98 21.640 -1.142 -1.072 1.00 0.00 C ATOM 1467 C SER A 98 21.916 0.354 -0.972 1.00 0.00 C ATOM 1468 O SER A 98 21.849 0.935 0.112 1.00 0.00 O ATOM 1469 CB SER A 98 22.890 -1.928 -0.672 1.00 0.00 C ATOM 1470 OG SER A 98 23.212 -1.716 0.691 1.00 0.00 O ATOM 0 H SER A 98 21.919 -2.032 -2.950 1.00 0.00 H new ATOM 0 HA SER A 98 20.827 -1.387 -0.389 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.727 -2.991 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.729 -1.626 -1.298 1.00 0.00 H new ATOM 0 HG SER A 98 24.014 -2.231 0.922 1.00 0.00 H new ATOM 1476 N SER A 99 22.221 0.975 -2.108 1.00 0.00 N ATOM 1477 CA SER A 99 22.507 2.406 -2.146 1.00 0.00 C ATOM 1478 C SER A 99 21.443 3.198 -1.391 1.00 0.00 C ATOM 1479 O SER A 99 21.745 4.202 -0.746 1.00 0.00 O ATOM 1480 CB SER A 99 22.585 2.890 -3.596 1.00 0.00 C ATOM 1481 OG SER A 99 23.906 3.271 -3.936 1.00 0.00 O ATOM 0 H SER A 99 22.276 0.510 -3.014 1.00 0.00 H new ATOM 0 HA SER A 99 23.468 2.572 -1.659 1.00 0.00 H new ATOM 0 HB2 SER A 99 22.248 2.099 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 99 21.912 3.735 -3.737 1.00 0.00 H new ATOM 0 HG SER A 99 23.929 3.575 -4.868 1.00 0.00 H new ATOM 1487 N ASP A 100 20.199 2.736 -1.474 1.00 0.00 N ATOM 1488 CA ASP A 100 19.092 3.398 -0.794 1.00 0.00 C ATOM 1489 C ASP A 100 19.115 3.099 0.702 1.00 0.00 C ATOM 1490 O ASP A 100 19.417 3.973 1.515 1.00 0.00 O ATOM 1491 CB ASP A 100 17.758 2.948 -1.393 1.00 0.00 C ATOM 1492 CG ASP A 100 17.585 3.406 -2.828 1.00 0.00 C ATOM 1493 OD1 ASP A 100 18.248 2.832 -3.718 1.00 0.00 O ATOM 1494 OD2 ASP A 100 16.785 4.337 -3.063 1.00 0.00 O ATOM 0 H ASP A 100 19.933 1.907 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 100 19.203 4.473 -0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.692 1.861 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 100 16.940 3.340 -0.788 1.00 0.00 H new ATOM 1499 N GLU A 101 18.794 1.859 1.057 1.00 0.00 N ATOM 1500 CA GLU A 101 18.780 1.445 2.455 1.00 0.00 C ATOM 1501 C GLU A 101 20.181 1.498 3.054 1.00 0.00 C ATOM 1502 O GLU A 101 20.875 0.483 3.123 1.00 0.00 O ATOM 1503 CB GLU A 101 18.213 0.030 2.583 1.00 0.00 C ATOM 1504 CG GLU A 101 16.728 -0.061 2.278 1.00 0.00 C ATOM 1505 CD GLU A 101 16.037 -1.153 3.071 1.00 0.00 C ATOM 1506 OE1 GLU A 101 16.420 -2.332 2.915 1.00 0.00 O ATOM 1507 OE2 GLU A 101 15.116 -0.830 3.850 1.00 0.00 O ATOM 0 H GLU A 101 18.540 1.124 0.397 1.00 0.00 H new ATOM 0 HA GLU A 101 18.143 2.137 3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.755 -0.632 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.390 -0.333 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 101 16.256 0.897 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.590 -0.247 1.213 1.00 0.00 H new ATOM 1514 N GLY A 102 20.590 2.684 3.486 1.00 0.00 N ATOM 1515 CA GLY A 102 21.907 2.846 4.076 1.00 0.00 C ATOM 1516 C GLY A 102 21.960 3.988 5.070 1.00 0.00 C ATOM 1517 O GLY A 102 21.219 4.000 6.052 1.00 0.00 O ATOM 0 H GLY A 102 20.034 3.538 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 102 22.195 1.921 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 102 22.637 3.022 3.286 1.00 0.00 H new ATOM 1521 N GLU A 103 22.839 4.950 4.814 1.00 0.00 N ATOM 1522 CA GLU A 103 22.987 6.103 5.692 1.00 0.00 C ATOM 1523 C GLU A 103 22.820 7.405 4.914 1.00 0.00 C ATOM 1524 O GLU A 103 22.644 7.392 3.696 1.00 0.00 O ATOM 1525 CB GLU A 103 24.355 6.076 6.377 1.00 0.00 C ATOM 1526 CG GLU A 103 24.277 6.174 7.892 1.00 0.00 C ATOM 1527 CD GLU A 103 24.472 4.836 8.575 1.00 0.00 C ATOM 1528 OE1 GLU A 103 25.630 4.375 8.662 1.00 0.00 O ATOM 1529 OE2 GLU A 103 23.467 4.248 9.026 1.00 0.00 O ATOM 0 H GLU A 103 23.460 4.954 4.005 1.00 0.00 H new ATOM 0 HA GLU A 103 22.207 6.053 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 103 24.870 5.154 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 103 24.958 6.901 5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 103 25.035 6.872 8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 103 23.308 6.585 8.176 1.00 0.00 H new ATOM 1536 N ASP A 104 22.874 8.525 5.627 1.00 0.00 N ATOM 1537 CA ASP A 104 22.727 9.834 5.003 1.00 0.00 C ATOM 1538 C ASP A 104 23.990 10.669 5.185 1.00 0.00 C ATOM 1539 O ASP A 104 24.279 11.146 6.282 1.00 0.00 O ATOM 1540 CB ASP A 104 21.525 10.572 5.598 1.00 0.00 C ATOM 1541 CG ASP A 104 21.055 11.715 4.720 1.00 0.00 C ATOM 1542 OD1 ASP A 104 21.894 12.564 4.351 1.00 0.00 O ATOM 1543 OD2 ASP A 104 19.849 11.761 4.402 1.00 0.00 O ATOM 0 H ASP A 104 23.018 8.552 6.636 1.00 0.00 H new ATOM 0 HA ASP A 104 22.563 9.684 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 104 20.705 9.868 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 104 21.790 10.959 6.582 1.00 0.00 H new ATOM 1548 N GLN A 105 24.740 10.842 4.101 1.00 0.00 N ATOM 1549 CA GLN A 105 25.972 11.620 4.141 1.00 0.00 C ATOM 1550 C GLN A 105 27.048 10.892 4.940 1.00 0.00 C ATOM 1551 O GLN A 105 27.064 10.944 6.171 1.00 0.00 O ATOM 1552 CB GLN A 105 25.710 12.997 4.753 1.00 0.00 C ATOM 1553 CG GLN A 105 26.309 14.143 3.952 1.00 0.00 C ATOM 1554 CD GLN A 105 27.824 14.112 3.932 1.00 0.00 C ATOM 1555 OE1 GLN A 105 28.476 14.437 4.924 1.00 0.00 O ATOM 1556 NE2 GLN A 105 28.393 13.720 2.797 1.00 0.00 N ATOM 0 H GLN A 105 24.516 10.454 3.185 1.00 0.00 H new ATOM 0 HA GLN A 105 26.327 11.746 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 105 24.634 13.148 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 105 26.117 13.020 5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 105 25.935 14.101 2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 105 25.974 15.090 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 105 27.813 13.459 1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 105 29.410 13.680 2.724 1.00 0.00 H new ATOM 1565 N ALA A 106 27.945 10.212 4.233 1.00 0.00 N ATOM 1566 CA ALA A 106 29.025 9.473 4.875 1.00 0.00 C ATOM 1567 C ALA A 106 30.081 10.421 5.436 1.00 0.00 C ATOM 1568 O ALA A 106 30.623 11.258 4.715 1.00 0.00 O ATOM 1569 CB ALA A 106 29.656 8.498 3.892 1.00 0.00 C ATOM 0 H ALA A 106 27.945 10.158 3.214 1.00 0.00 H new ATOM 0 HA ALA A 106 28.602 8.909 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 106 30.461 7.953 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 106 28.901 7.793 3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 106 30.059 9.048 3.042 1.00 0.00 H new ATOM 1575 N GLY A 107 30.365 10.285 6.728 1.00 0.00 N ATOM 1576 CA GLY A 107 31.351 11.140 7.363 1.00 0.00 C ATOM 1577 C GLY A 107 30.716 12.246 8.181 1.00 0.00 C ATOM 1578 O GLY A 107 31.287 12.611 9.229 1.00 0.00 O ATOM 1579 OXT GLY A 107 29.648 12.748 7.771 1.00 0.00 O ATOM 0 H GLY A 107 29.931 9.599 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 107 31.990 10.536 8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 107 31.993 11.579 6.599 1.00 0.00 H new TER 1583 GLY A 107 HETATM 1584 C0 WSK A 108 -1.618 5.303 0.831 1.00 20.00 C HETATM 1585 N0 WSK A 108 -4.888 7.670 -0.559 1.00 20.00 N HETATM 1586 O0 WSK A 108 -3.098 9.158 -2.251 1.00 20.00 O HETATM 1587 C1 WSK A 108 -1.583 5.654 -0.605 1.00 20.00 C HETATM 1588 N1 WSK A 108 -4.980 11.367 -3.882 1.00 20.00 N HETATM 1589 C2 WSK A 108 -2.636 6.450 -1.201 1.00 20.00 C HETATM 1590 C3 WSK A 108 -3.745 6.897 -0.342 1.00 20.00 C HETATM 1591 C4 WSK A 108 -3.757 6.556 1.075 1.00 20.00 C HETATM 1592 C5 WSK A 108 -2.691 5.739 1.661 1.00 20.00 C HETATM 1593 C6 WSK A 108 -4.925 7.136 1.661 1.00 20.00 C HETATM 1594 C7 WSK A 108 -5.649 7.842 0.604 1.00 20.00 C HETATM 1595 C8 WSK A 108 -6.912 8.542 0.908 1.00 20.00 C HETATM 1596 C9 WSK A 108 -7.397 8.515 2.267 1.00 20.00 C HETATM 1597 C10 WSK A 108 -6.665 7.802 3.330 1.00 20.00 C HETATM 1598 C11 WSK A 108 -5.430 7.109 3.043 1.00 20.00 C HETATM 1599 C12 WSK A 108 -5.286 8.211 -1.877 1.00 20.00 C HETATM 1600 C13 WSK A 108 -4.542 9.466 -2.191 1.00 20.00 C HETATM 1601 C14 WSK A 108 -4.878 9.918 -3.715 1.00 20.00 C HETATM 1602 C15 WSK A 108 -3.681 12.005 -4.075 1.00 20.00 C HETATM 1603 C16 WSK A 108 -5.840 11.702 -5.013 1.00 20.00 C HETATM 1604 BR1 WSK A 108 -7.349 7.796 5.092 1.00 20.00 BR HETATM 1605 BR2 WSK A 108 -0.258 4.253 1.630 1.00 20.00 BR HETATM 0 H9 WSK A 108 -5.094 7.468 -2.651 1.00 20.00 H new HETATM 0 H8 WSK A 108 -6.358 8.409 -1.883 1.00 20.00 H new HETATM 0 H6 WSK A 108 -4.888 6.581 3.828 1.00 20.00 H new HETATM 0 H5 WSK A 108 -8.324 9.033 2.513 1.00 20.00 H new HETATM 0 H4 WSK A 108 -7.464 9.065 0.127 1.00 20.00 H new HETATM 0 H3 WSK A 108 -2.718 5.469 2.717 1.00 20.00 H new HETATM 0 H2 WSK A 108 -2.608 6.712 -2.259 1.00 20.00 H new HETATM 0 H19 WSK A 108 -3.049 11.813 -3.208 1.00 20.00 H new HETATM 0 H18 WSK A 108 -3.205 11.599 -4.968 1.00 20.00 H new HETATM 0 H17 WSK A 108 -3.818 13.080 -4.193 1.00 20.00 H new HETATM 0 H16 WSK A 108 -5.425 11.273 -5.925 1.00 20.00 H new HETATM 0 H15 WSK A 108 -6.838 11.298 -4.843 1.00 20.00 H new HETATM 0 H14 WSK A 108 -5.900 12.785 -5.116 1.00 20.00 H new HETATM 0 H13 WSK A 108 -2.585 9.993 -2.234 1.00 20.00 H new HETATM 0 H12 WSK A 108 -5.816 9.457 -4.024 1.00 20.00 H new HETATM 0 H11 WSK A 108 -4.102 9.537 -4.379 1.00 20.00 H new HETATM 0 H10 WSK A 108 -4.806 10.215 -1.445 1.00 20.00 H new HETATM 0 H1 WSK A 108 -0.754 5.309 -1.223 1.00 20.00 H new