USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 11 THR OG1 : rot 180:sc= -0.344 USER MOD Set 1.2: A 14 GLN : amide:sc= -2.01! C(o=-2.4!,f=-5.1!) USER MOD Set 2.1: A 3 SER OG : rot -171:sc= 0.241 USER MOD Set 2.2: A 5 SER OG : rot 95:sc= 0.251 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0448 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00349 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= -0.0273 (180deg=-0.0279) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 1.06 (180deg=0.765) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 CYS SG : rot -109:sc= 1.19 USER MOD Single : A 26 GLN : amide:sc= 0.0309 X(o=0.031,f=-0.13) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.23) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.155 K(o=-0.16,f=-2.4!) USER MOD Single : A 40 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -168:sc= 1.33 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -3.52 F(o=-5.4!,f=-3.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -0.116 (180deg=-0.592) USER MOD Single : A 69 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.66) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0972 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.791 -12.603 15.779 1.00 0.00 N ATOM 2 CA GLY A 1 10.193 -12.736 15.430 1.00 0.00 C ATOM 3 C GLY A 1 10.397 -13.467 14.117 1.00 0.00 C ATOM 4 O GLY A 1 9.565 -14.283 13.718 1.00 0.00 O ATOM 0 H1 GLY A 1 8.483 -11.624 15.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.225 -13.250 15.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.659 -12.839 16.783 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.644 -11.746 15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.713 -13.271 16.225 1.00 0.00 H new ATOM 8 N SER A 2 11.504 -13.174 13.444 1.00 0.00 N ATOM 9 CA SER A 2 11.812 -13.805 12.166 1.00 0.00 C ATOM 10 C SER A 2 13.320 -13.916 11.963 1.00 0.00 C ATOM 11 O SER A 2 14.094 -13.171 12.564 1.00 0.00 O ATOM 12 CB SER A 2 11.188 -13.009 11.017 1.00 0.00 C ATOM 13 OG SER A 2 11.413 -13.649 9.773 1.00 0.00 O ATOM 0 H SER A 2 12.203 -12.503 13.762 1.00 0.00 H new ATOM 0 HA SER A 2 11.390 -14.810 12.174 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.117 -12.900 11.185 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.611 -12.004 10.995 1.00 0.00 H new ATOM 0 HG SER A 2 11.003 -13.122 9.055 1.00 0.00 H new ATOM 19 N SER A 3 13.729 -14.852 11.113 1.00 0.00 N ATOM 20 CA SER A 3 15.144 -15.064 10.833 1.00 0.00 C ATOM 21 C SER A 3 15.849 -13.738 10.559 1.00 0.00 C ATOM 22 O SER A 3 15.206 -12.698 10.419 1.00 0.00 O ATOM 23 CB SER A 3 15.314 -16.002 9.636 1.00 0.00 C ATOM 24 OG SER A 3 14.972 -15.350 8.425 1.00 0.00 O ATOM 0 H SER A 3 13.101 -15.476 10.606 1.00 0.00 H new ATOM 0 HA SER A 3 15.598 -15.522 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.346 -16.350 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.686 -16.883 9.768 1.00 0.00 H new ATOM 0 HG SER A 3 14.951 -16.004 7.696 1.00 0.00 H new ATOM 30 N GLY A 4 17.175 -13.785 10.483 1.00 0.00 N ATOM 31 CA GLY A 4 17.946 -12.582 10.227 1.00 0.00 C ATOM 32 C GLY A 4 18.112 -12.305 8.746 1.00 0.00 C ATOM 33 O GLY A 4 19.232 -12.144 8.259 1.00 0.00 O ATOM 0 H GLY A 4 17.729 -14.634 10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.455 -11.732 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.929 -12.679 10.688 1.00 0.00 H new ATOM 37 N SER A 5 16.996 -12.252 8.026 1.00 0.00 N ATOM 38 CA SER A 5 17.023 -11.998 6.591 1.00 0.00 C ATOM 39 C SER A 5 16.561 -10.577 6.281 1.00 0.00 C ATOM 40 O SER A 5 15.368 -10.277 6.323 1.00 0.00 O ATOM 41 CB SER A 5 16.137 -13.006 5.856 1.00 0.00 C ATOM 42 OG SER A 5 16.624 -14.326 6.018 1.00 0.00 O ATOM 0 H SER A 5 16.061 -12.382 8.414 1.00 0.00 H new ATOM 0 HA SER A 5 18.051 -12.110 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.117 -12.942 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.099 -12.756 4.796 1.00 0.00 H new ATOM 0 HG SER A 5 16.163 -14.755 6.769 1.00 0.00 H new ATOM 48 N SER A 6 17.516 -9.706 5.971 1.00 0.00 N ATOM 49 CA SER A 6 17.209 -8.315 5.658 1.00 0.00 C ATOM 50 C SER A 6 17.336 -8.055 4.160 1.00 0.00 C ATOM 51 O SER A 6 18.424 -8.141 3.593 1.00 0.00 O ATOM 52 CB SER A 6 18.141 -7.379 6.430 1.00 0.00 C ATOM 53 OG SER A 6 17.917 -7.475 7.826 1.00 0.00 O ATOM 0 H SER A 6 18.508 -9.939 5.930 1.00 0.00 H new ATOM 0 HA SER A 6 16.179 -8.119 5.958 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.178 -7.628 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.982 -6.351 6.103 1.00 0.00 H new ATOM 0 HG SER A 6 18.526 -6.869 8.297 1.00 0.00 H new ATOM 59 N GLY A 7 16.213 -7.734 3.524 1.00 0.00 N ATOM 60 CA GLY A 7 16.218 -7.466 2.098 1.00 0.00 C ATOM 61 C GLY A 7 15.156 -6.464 1.692 1.00 0.00 C ATOM 62 O GLY A 7 13.970 -6.666 1.951 1.00 0.00 O ATOM 0 H GLY A 7 15.300 -7.655 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.198 -7.090 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.060 -8.398 1.556 1.00 0.00 H new ATOM 66 N LYS A 8 15.582 -5.378 1.056 1.00 0.00 N ATOM 67 CA LYS A 8 14.660 -4.339 0.614 1.00 0.00 C ATOM 68 C LYS A 8 14.950 -3.931 -0.827 1.00 0.00 C ATOM 69 O LYS A 8 14.511 -2.876 -1.284 1.00 0.00 O ATOM 70 CB LYS A 8 14.758 -3.117 1.530 1.00 0.00 C ATOM 71 CG LYS A 8 16.186 -2.685 1.816 1.00 0.00 C ATOM 72 CD LYS A 8 16.707 -1.739 0.747 1.00 0.00 C ATOM 73 CE LYS A 8 18.043 -1.130 1.145 1.00 0.00 C ATOM 74 NZ LYS A 8 19.183 -2.029 0.812 1.00 0.00 N ATOM 0 H LYS A 8 16.561 -5.195 0.835 1.00 0.00 H new ATOM 0 HA LYS A 8 13.648 -4.742 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.221 -2.286 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.259 -3.339 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.231 -2.196 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 8 16.829 -3.564 1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.817 -2.277 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.980 -0.945 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.173 -0.175 0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.044 -0.924 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.076 -1.579 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.073 -2.931 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.198 -2.206 -0.213 1.00 0.00 H new ATOM 88 N ARG A 9 15.690 -4.775 -1.539 1.00 0.00 N ATOM 89 CA ARG A 9 16.038 -4.502 -2.928 1.00 0.00 C ATOM 90 C ARG A 9 14.833 -4.708 -3.841 1.00 0.00 C ATOM 91 O ARG A 9 14.616 -5.800 -4.366 1.00 0.00 O ATOM 92 CB ARG A 9 17.189 -5.406 -3.375 1.00 0.00 C ATOM 93 CG ARG A 9 18.565 -4.825 -3.091 1.00 0.00 C ATOM 94 CD ARG A 9 19.636 -5.488 -3.942 1.00 0.00 C ATOM 95 NE ARG A 9 20.973 -5.298 -3.386 1.00 0.00 N ATOM 96 CZ ARG A 9 21.718 -4.222 -3.615 1.00 0.00 C ATOM 97 NH1 ARG A 9 21.259 -3.245 -4.385 1.00 0.00 N ATOM 98 NH2 ARG A 9 22.925 -4.122 -3.073 1.00 0.00 N ATOM 0 H ARG A 9 16.060 -5.654 -1.176 1.00 0.00 H new ATOM 0 HA ARG A 9 16.353 -3.461 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.100 -6.369 -2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 9 17.097 -5.595 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.556 -3.753 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.805 -4.955 -2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 9 19.426 -6.554 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 9 19.602 -5.078 -4.952 1.00 0.00 H new ATOM 0 HE ARG A 9 21.356 -6.031 -2.789 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.332 -3.318 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.833 -2.420 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.282 -4.872 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.496 -3.296 -3.249 1.00 0.00 H new ATOM 112 N LYS A 10 14.050 -3.650 -4.025 1.00 0.00 N ATOM 113 CA LYS A 10 12.866 -3.712 -4.874 1.00 0.00 C ATOM 114 C LYS A 10 13.017 -2.798 -6.086 1.00 0.00 C ATOM 115 O LYS A 10 13.885 -1.925 -6.114 1.00 0.00 O ATOM 116 CB LYS A 10 11.620 -3.319 -4.078 1.00 0.00 C ATOM 117 CG LYS A 10 11.347 -4.224 -2.889 1.00 0.00 C ATOM 118 CD LYS A 10 10.304 -3.626 -1.960 1.00 0.00 C ATOM 119 CE LYS A 10 9.641 -4.694 -1.104 1.00 0.00 C ATOM 120 NZ LYS A 10 10.598 -5.306 -0.141 1.00 0.00 N ATOM 0 H LYS A 10 14.214 -2.739 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 10 12.756 -4.738 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.733 -2.294 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.755 -3.334 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.006 -5.197 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 10 12.273 -4.392 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.773 -2.882 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.547 -3.107 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.807 -4.255 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.227 -5.470 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.104 -6.017 0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.373 -5.762 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.987 -4.567 0.479 1.00 0.00 H new ATOM 134 N THR A 11 12.167 -3.004 -7.087 1.00 0.00 N ATOM 135 CA THR A 11 12.206 -2.199 -8.301 1.00 0.00 C ATOM 136 C THR A 11 11.000 -1.269 -8.383 1.00 0.00 C ATOM 137 O THR A 11 9.883 -1.652 -8.036 1.00 0.00 O ATOM 138 CB THR A 11 12.244 -3.083 -9.561 1.00 0.00 C ATOM 139 OG1 THR A 11 10.969 -3.702 -9.764 1.00 0.00 O ATOM 140 CG2 THR A 11 13.319 -4.153 -9.438 1.00 0.00 C ATOM 0 H THR A 11 11.443 -3.722 -7.081 1.00 0.00 H new ATOM 0 HA THR A 11 13.118 -1.604 -8.256 1.00 0.00 H new ATOM 0 HB THR A 11 12.480 -2.449 -10.416 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.001 -4.261 -10.568 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.328 -4.766 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.292 -3.678 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.108 -4.783 -8.574 1.00 0.00 H new ATOM 148 N LYS A 12 11.233 -0.045 -8.845 1.00 0.00 N ATOM 149 CA LYS A 12 10.166 0.940 -8.975 1.00 0.00 C ATOM 150 C LYS A 12 8.886 0.290 -9.493 1.00 0.00 C ATOM 151 O LYS A 12 7.794 0.571 -9.000 1.00 0.00 O ATOM 152 CB LYS A 12 10.596 2.066 -9.917 1.00 0.00 C ATOM 153 CG LYS A 12 9.684 3.281 -9.869 1.00 0.00 C ATOM 154 CD LYS A 12 8.538 3.157 -10.858 1.00 0.00 C ATOM 155 CE LYS A 12 8.973 3.534 -12.266 1.00 0.00 C ATOM 156 NZ LYS A 12 8.923 5.006 -12.486 1.00 0.00 N ATOM 0 H LYS A 12 12.152 0.289 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 12 9.967 1.357 -7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.610 2.373 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.625 1.684 -10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.285 3.398 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.261 4.179 -10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.162 2.134 -10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.715 3.800 -10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.987 3.175 -12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.329 3.036 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.227 5.222 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.950 5.345 -12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.557 5.480 -11.811 1.00 0.00 H new ATOM 170 N GLU A 13 9.030 -0.579 -10.488 1.00 0.00 N ATOM 171 CA GLU A 13 7.884 -1.268 -11.071 1.00 0.00 C ATOM 172 C GLU A 13 7.144 -2.083 -10.014 1.00 0.00 C ATOM 173 O GLU A 13 5.943 -1.906 -9.809 1.00 0.00 O ATOM 174 CB GLU A 13 8.337 -2.183 -12.211 1.00 0.00 C ATOM 175 CG GLU A 13 8.380 -1.494 -13.564 1.00 0.00 C ATOM 176 CD GLU A 13 9.167 -2.280 -14.594 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.253 -2.790 -14.248 1.00 0.00 O ATOM 178 OE2 GLU A 13 8.697 -2.386 -15.747 1.00 0.00 O ATOM 0 H GLU A 13 9.927 -0.823 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 13 7.203 -0.515 -11.467 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.328 -2.574 -11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.663 -3.038 -12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.362 -1.347 -13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.824 -0.505 -13.450 1.00 0.00 H new ATOM 185 N GLN A 14 7.869 -2.974 -9.347 1.00 0.00 N ATOM 186 CA GLN A 14 7.281 -3.817 -8.312 1.00 0.00 C ATOM 187 C GLN A 14 6.637 -2.968 -7.220 1.00 0.00 C ATOM 188 O GLN A 14 5.493 -3.204 -6.830 1.00 0.00 O ATOM 189 CB GLN A 14 8.345 -4.731 -7.703 1.00 0.00 C ATOM 190 CG GLN A 14 8.916 -5.740 -8.686 1.00 0.00 C ATOM 191 CD GLN A 14 10.114 -6.484 -8.130 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.084 -5.873 -7.679 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.053 -7.810 -8.159 1.00 0.00 N ATOM 0 H GLN A 14 8.864 -3.131 -9.504 1.00 0.00 H new ATOM 0 HA GLN A 14 6.507 -4.430 -8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.157 -4.118 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.912 -5.265 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.141 -6.457 -8.956 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.206 -5.225 -9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.229 -8.274 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.830 -8.364 -7.798 1.00 0.00 H new ATOM 202 N LEU A 15 7.379 -1.981 -6.731 1.00 0.00 N ATOM 203 CA LEU A 15 6.880 -1.097 -5.683 1.00 0.00 C ATOM 204 C LEU A 15 5.632 -0.352 -6.147 1.00 0.00 C ATOM 205 O LEU A 15 4.708 -0.123 -5.367 1.00 0.00 O ATOM 206 CB LEU A 15 7.963 -0.096 -5.275 1.00 0.00 C ATOM 207 CG LEU A 15 8.937 -0.565 -4.194 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.838 0.579 -3.754 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.179 -1.136 -3.004 1.00 0.00 C ATOM 0 H LEU A 15 8.328 -1.772 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 15 6.616 -1.709 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.537 0.170 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.475 0.814 -4.926 1.00 0.00 H new ATOM 0 HG LEU A 15 9.563 -1.353 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.524 0.226 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.408 0.943 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.228 1.389 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.888 -1.465 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.528 -0.369 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.577 -1.984 -3.329 1.00 0.00 H new ATOM 221 N ALA A 16 5.612 0.021 -7.422 1.00 0.00 N ATOM 222 CA ALA A 16 4.476 0.735 -7.991 1.00 0.00 C ATOM 223 C ALA A 16 3.174 -0.021 -7.747 1.00 0.00 C ATOM 224 O ALA A 16 2.155 0.576 -7.399 1.00 0.00 O ATOM 225 CB ALA A 16 4.686 0.961 -9.481 1.00 0.00 C ATOM 0 H ALA A 16 6.370 -0.159 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 16 4.402 1.703 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.830 1.495 -9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.590 1.550 -9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.789 -0.001 -9.984 1.00 0.00 H new ATOM 231 N ILE A 17 3.215 -1.336 -7.933 1.00 0.00 N ATOM 232 CA ILE A 17 2.038 -2.172 -7.733 1.00 0.00 C ATOM 233 C ILE A 17 1.644 -2.222 -6.261 1.00 0.00 C ATOM 234 O ILE A 17 0.477 -2.435 -5.926 1.00 0.00 O ATOM 235 CB ILE A 17 2.275 -3.607 -8.239 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.305 -3.634 -9.768 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.197 -4.540 -7.708 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.154 -4.749 -10.336 1.00 0.00 C ATOM 0 H ILE A 17 4.050 -1.845 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 17 1.229 -1.722 -8.308 1.00 0.00 H new ATOM 0 HB ILE A 17 3.241 -3.952 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.286 -3.738 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.683 -2.679 -10.133 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.378 -5.551 -8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.220 -4.539 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.220 -4.199 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.129 -4.707 -11.425 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.182 -4.635 -9.992 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.764 -5.710 -10.001 1.00 0.00 H new ATOM 250 N LEU A 18 2.622 -2.024 -5.385 1.00 0.00 N ATOM 251 CA LEU A 18 2.378 -2.044 -3.947 1.00 0.00 C ATOM 252 C LEU A 18 1.771 -0.725 -3.478 1.00 0.00 C ATOM 253 O LEU A 18 0.737 -0.708 -2.810 1.00 0.00 O ATOM 254 CB LEU A 18 3.680 -2.316 -3.192 1.00 0.00 C ATOM 255 CG LEU A 18 4.005 -3.786 -2.921 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.411 -3.927 -2.359 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.984 -4.391 -1.969 1.00 0.00 C ATOM 0 H LEU A 18 3.592 -1.848 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 18 1.669 -2.844 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.503 -1.881 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.639 -1.792 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 18 3.958 -4.329 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.624 -4.979 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.131 -3.532 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.487 -3.370 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.231 -5.437 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.999 -3.846 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.990 -4.324 -2.411 1.00 0.00 H new ATOM 269 N LYS A 19 2.420 0.378 -3.836 1.00 0.00 N ATOM 270 CA LYS A 19 1.943 1.703 -3.456 1.00 0.00 C ATOM 271 C LYS A 19 0.440 1.826 -3.683 1.00 0.00 C ATOM 272 O LYS A 19 -0.270 2.433 -2.881 1.00 0.00 O ATOM 273 CB LYS A 19 2.680 2.780 -4.255 1.00 0.00 C ATOM 274 CG LYS A 19 4.115 2.997 -3.805 1.00 0.00 C ATOM 275 CD LYS A 19 4.721 4.231 -4.450 1.00 0.00 C ATOM 276 CE LYS A 19 6.180 4.407 -4.056 1.00 0.00 C ATOM 277 NZ LYS A 19 6.660 5.793 -4.312 1.00 0.00 N ATOM 0 H LYS A 19 3.277 0.381 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 19 2.145 1.844 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.677 2.504 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.135 3.720 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.145 3.100 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.713 2.122 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.643 4.152 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.154 5.113 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.302 4.170 -2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.795 3.701 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.642 5.886 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.615 5.993 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.058 6.469 -3.800 1.00 0.00 H new ATOM 291 N SER A 20 -0.039 1.244 -4.778 1.00 0.00 N ATOM 292 CA SER A 20 -1.458 1.291 -5.110 1.00 0.00 C ATOM 293 C SER A 20 -2.276 0.469 -4.119 1.00 0.00 C ATOM 294 O SER A 20 -3.399 0.833 -3.771 1.00 0.00 O ATOM 295 CB SER A 20 -1.687 0.774 -6.532 1.00 0.00 C ATOM 296 OG SER A 20 -3.008 1.046 -6.967 1.00 0.00 O ATOM 0 H SER A 20 0.535 0.735 -5.450 1.00 0.00 H new ATOM 0 HA SER A 20 -1.786 2.329 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.974 1.241 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.503 -0.300 -6.566 1.00 0.00 H new ATOM 0 HG SER A 20 -3.128 0.707 -7.879 1.00 0.00 H new ATOM 302 N PHE A 21 -1.703 -0.642 -3.667 1.00 0.00 N ATOM 303 CA PHE A 21 -2.378 -1.517 -2.716 1.00 0.00 C ATOM 304 C PHE A 21 -2.492 -0.850 -1.349 1.00 0.00 C ATOM 305 O PHE A 21 -3.582 -0.742 -0.787 1.00 0.00 O ATOM 306 CB PHE A 21 -1.625 -2.843 -2.588 1.00 0.00 C ATOM 307 CG PHE A 21 -2.514 -4.008 -2.258 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.904 -4.249 -0.950 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.960 -4.861 -3.254 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.723 -5.320 -0.642 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.779 -5.933 -2.952 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.160 -6.163 -1.644 1.00 0.00 C ATOM 0 H PHE A 21 -0.773 -0.957 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.383 -1.712 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.104 -3.047 -3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.864 -2.746 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.564 -3.593 -0.162 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.665 -4.687 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.020 -5.497 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.121 -6.590 -3.738 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.799 -7.001 -1.406 1.00 0.00 H new ATOM 322 N PHE A 22 -1.358 -0.404 -0.818 1.00 0.00 N ATOM 323 CA PHE A 22 -1.329 0.251 0.484 1.00 0.00 C ATOM 324 C PHE A 22 -2.460 1.268 0.607 1.00 0.00 C ATOM 325 O PHE A 22 -3.148 1.329 1.626 1.00 0.00 O ATOM 326 CB PHE A 22 0.019 0.941 0.701 1.00 0.00 C ATOM 327 CG PHE A 22 0.179 1.524 2.076 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.358 0.700 3.176 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.152 2.896 2.269 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.505 1.234 4.442 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.299 3.435 3.533 1.00 0.00 C ATOM 332 CZ PHE A 22 0.477 2.603 4.621 1.00 0.00 C ATOM 0 H PHE A 22 -0.447 -0.484 -1.270 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.466 -0.512 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.819 0.222 0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.135 1.734 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.383 -0.371 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.014 3.552 1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.642 0.581 5.291 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.275 4.506 3.670 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.594 3.022 5.609 1.00 0.00 H new ATOM 342 N LEU A 23 -2.646 2.066 -0.439 1.00 0.00 N ATOM 343 CA LEU A 23 -3.692 3.082 -0.450 1.00 0.00 C ATOM 344 C LEU A 23 -5.068 2.448 -0.272 1.00 0.00 C ATOM 345 O LEU A 23 -5.841 2.853 0.596 1.00 0.00 O ATOM 346 CB LEU A 23 -3.648 3.873 -1.759 1.00 0.00 C ATOM 347 CG LEU A 23 -2.298 4.489 -2.126 1.00 0.00 C ATOM 348 CD1 LEU A 23 -2.144 4.578 -3.636 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.148 5.864 -1.491 1.00 0.00 C ATOM 0 H LEU A 23 -2.086 2.029 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.514 3.761 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.956 3.213 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.386 4.673 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.509 3.844 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.177 5.019 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.205 3.579 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.939 5.200 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.181 6.287 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.944 6.518 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.212 5.773 -0.407 1.00 0.00 H new ATOM 361 N GLN A 24 -5.366 1.450 -1.099 1.00 0.00 N ATOM 362 CA GLN A 24 -6.649 0.760 -1.031 1.00 0.00 C ATOM 363 C GLN A 24 -6.820 0.061 0.314 1.00 0.00 C ATOM 364 O GLN A 24 -7.935 -0.067 0.820 1.00 0.00 O ATOM 365 CB GLN A 24 -6.764 -0.258 -2.166 1.00 0.00 C ATOM 366 CG GLN A 24 -6.809 0.374 -3.548 1.00 0.00 C ATOM 367 CD GLN A 24 -8.180 0.918 -3.897 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.187 0.220 -3.776 1.00 0.00 O ATOM 369 NE2 GLN A 24 -8.226 2.172 -4.334 1.00 0.00 N ATOM 0 H GLN A 24 -4.737 1.102 -1.823 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.439 1.503 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.917 -0.943 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.665 -0.854 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.079 1.181 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.516 -0.367 -4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.366 2.714 -4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.121 2.592 -4.585 1.00 0.00 H new ATOM 378 N CYS A 25 -5.709 -0.390 0.886 1.00 0.00 N ATOM 379 CA CYS A 25 -5.736 -1.078 2.172 1.00 0.00 C ATOM 380 C CYS A 25 -4.359 -1.062 2.827 1.00 0.00 C ATOM 381 O CYS A 25 -3.453 -1.782 2.405 1.00 0.00 O ATOM 382 CB CYS A 25 -6.213 -2.520 1.993 1.00 0.00 C ATOM 383 SG CYS A 25 -7.061 -3.202 3.437 1.00 0.00 S ATOM 0 H CYS A 25 -4.779 -0.292 0.480 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.433 -0.551 2.823 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.885 -2.565 1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.354 -3.149 1.759 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.302 -4.091 4.006 1.00 0.00 H new ATOM 389 N GLN A 26 -4.208 -0.236 3.857 1.00 0.00 N ATOM 390 CA GLN A 26 -2.939 -0.125 4.567 1.00 0.00 C ATOM 391 C GLN A 26 -2.462 -1.492 5.046 1.00 0.00 C ATOM 392 O GLN A 26 -1.275 -1.691 5.304 1.00 0.00 O ATOM 393 CB GLN A 26 -3.078 0.825 5.758 1.00 0.00 C ATOM 394 CG GLN A 26 -3.127 2.292 5.362 1.00 0.00 C ATOM 395 CD GLN A 26 -4.534 2.768 5.059 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.309 3.069 5.967 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.871 2.840 3.777 1.00 0.00 N ATOM 0 H GLN A 26 -4.948 0.366 4.218 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.199 0.276 3.875 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.985 0.575 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.240 0.668 6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.709 2.896 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.498 2.449 4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.197 2.581 3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.804 3.155 3.512 1.00 0.00 H new ATOM 406 N TRP A 27 -3.395 -2.431 5.163 1.00 0.00 N ATOM 407 CA TRP A 27 -3.069 -3.780 5.612 1.00 0.00 C ATOM 408 C TRP A 27 -3.659 -4.824 4.670 1.00 0.00 C ATOM 409 O TRP A 27 -4.813 -4.719 4.257 1.00 0.00 O ATOM 410 CB TRP A 27 -3.588 -4.006 7.033 1.00 0.00 C ATOM 411 CG TRP A 27 -3.137 -2.957 8.004 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.542 -1.654 8.050 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.193 -3.124 9.067 1.00 0.00 C ATOM 414 NE1 TRP A 27 -2.907 -1.000 9.078 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.074 -1.880 9.717 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.437 -4.202 9.534 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.231 -1.688 10.808 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -0.600 -4.010 10.617 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.502 -2.761 11.244 1.00 0.00 C ATOM 0 H TRP A 27 -4.382 -2.283 4.953 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.984 -3.886 5.608 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.678 -4.030 7.015 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.254 -4.983 7.383 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.257 -1.203 7.377 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.035 -0.019 9.325 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.505 -5.169 9.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.155 -0.726 11.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.011 -4.837 10.986 1.00 0.00 H new ATOM 0 HH2 TRP A 27 0.162 -2.643 12.088 1.00 0.00 H new ATOM 430 N ALA A 28 -2.858 -5.830 4.334 1.00 0.00 N ATOM 431 CA ALA A 28 -3.303 -6.894 3.442 1.00 0.00 C ATOM 432 C ALA A 28 -3.446 -8.215 4.192 1.00 0.00 C ATOM 433 O ALA A 28 -2.786 -8.439 5.206 1.00 0.00 O ATOM 434 CB ALA A 28 -2.333 -7.048 2.280 1.00 0.00 C ATOM 0 H ALA A 28 -1.899 -5.931 4.666 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.283 -6.620 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.677 -7.846 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.283 -6.113 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.343 -7.295 2.663 1.00 0.00 H new ATOM 440 N ARG A 29 -4.314 -9.085 3.686 1.00 0.00 N ATOM 441 CA ARG A 29 -4.546 -10.383 4.310 1.00 0.00 C ATOM 442 C ARG A 29 -3.715 -11.468 3.631 1.00 0.00 C ATOM 443 O ARG A 29 -3.025 -11.210 2.645 1.00 0.00 O ATOM 444 CB ARG A 29 -6.030 -10.746 4.245 1.00 0.00 C ATOM 445 CG ARG A 29 -6.923 -9.804 5.037 1.00 0.00 C ATOM 446 CD ARG A 29 -7.327 -8.593 4.211 1.00 0.00 C ATOM 447 NE ARG A 29 -8.403 -7.835 4.842 1.00 0.00 N ATOM 448 CZ ARG A 29 -8.209 -6.958 5.821 1.00 0.00 C ATOM 449 NH1 ARG A 29 -6.985 -6.731 6.278 1.00 0.00 N ATOM 450 NH2 ARG A 29 -9.239 -6.307 6.344 1.00 0.00 N ATOM 0 H ARG A 29 -4.868 -8.915 2.846 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.241 -10.316 5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.350 -10.746 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.164 -11.761 4.620 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.816 -10.337 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.401 -9.475 5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.462 -7.945 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.646 -8.919 3.221 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.357 -7.987 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.191 -7.230 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.838 -6.057 7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.182 -6.479 5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.089 -5.634 7.096 1.00 0.00 H new ATOM 464 N ARG A 30 -3.787 -12.682 4.167 1.00 0.00 N ATOM 465 CA ARG A 30 -3.040 -13.806 3.614 1.00 0.00 C ATOM 466 C ARG A 30 -3.633 -14.248 2.279 1.00 0.00 C ATOM 467 O ARG A 30 -2.967 -14.910 1.483 1.00 0.00 O ATOM 468 CB ARG A 30 -3.040 -14.978 4.597 1.00 0.00 C ATOM 469 CG ARG A 30 -2.308 -14.683 5.896 1.00 0.00 C ATOM 470 CD ARG A 30 -2.210 -15.921 6.774 1.00 0.00 C ATOM 471 NE ARG A 30 -3.393 -16.091 7.613 1.00 0.00 N ATOM 472 CZ ARG A 30 -3.768 -17.257 8.128 1.00 0.00 C ATOM 473 NH1 ARG A 30 -3.056 -18.350 7.890 1.00 0.00 N ATOM 474 NH2 ARG A 30 -4.857 -17.331 8.883 1.00 0.00 N ATOM 0 H ARG A 30 -4.354 -12.913 4.983 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.013 -13.481 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.071 -15.251 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.580 -15.843 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.307 -14.312 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.828 -13.892 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.082 -16.802 6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.325 -15.848 7.406 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.963 -15.269 7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.218 -18.297 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.346 -19.244 8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.407 -16.492 9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.144 -18.227 9.278 1.00 0.00 H new ATOM 488 N GLU A 31 -4.887 -13.877 2.042 1.00 0.00 N ATOM 489 CA GLU A 31 -5.568 -14.237 0.804 1.00 0.00 C ATOM 490 C GLU A 31 -5.280 -13.216 -0.292 1.00 0.00 C ATOM 491 O GLU A 31 -5.415 -13.510 -1.480 1.00 0.00 O ATOM 492 CB GLU A 31 -7.077 -14.339 1.037 1.00 0.00 C ATOM 493 CG GLU A 31 -7.453 -15.221 2.216 1.00 0.00 C ATOM 494 CD GLU A 31 -8.852 -15.793 2.095 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.823 -15.034 2.296 1.00 0.00 O ATOM 496 OE2 GLU A 31 -8.975 -17.000 1.799 1.00 0.00 O ATOM 0 H GLU A 31 -5.452 -13.328 2.690 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.191 -15.207 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.479 -13.339 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.550 -14.730 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.736 -16.038 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.380 -14.641 3.136 1.00 0.00 H new ATOM 503 N ASP A 32 -4.884 -12.016 0.115 1.00 0.00 N ATOM 504 CA ASP A 32 -4.575 -10.950 -0.831 1.00 0.00 C ATOM 505 C ASP A 32 -3.098 -10.972 -1.212 1.00 0.00 C ATOM 506 O ASP A 32 -2.744 -10.780 -2.376 1.00 0.00 O ATOM 507 CB ASP A 32 -4.941 -9.589 -0.237 1.00 0.00 C ATOM 508 CG ASP A 32 -6.403 -9.243 -0.440 1.00 0.00 C ATOM 509 OD1 ASP A 32 -7.231 -9.643 0.404 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.720 -8.571 -1.445 1.00 0.00 O ATOM 0 H ASP A 32 -4.769 -11.756 1.095 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.166 -11.115 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.715 -9.589 0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.321 -8.818 -0.694 1.00 0.00 H new ATOM 515 N TYR A 33 -2.241 -11.205 -0.225 1.00 0.00 N ATOM 516 CA TYR A 33 -0.802 -11.248 -0.456 1.00 0.00 C ATOM 517 C TYR A 33 -0.464 -12.189 -1.608 1.00 0.00 C ATOM 518 O TYR A 33 0.249 -11.815 -2.539 1.00 0.00 O ATOM 519 CB TYR A 33 -0.074 -11.695 0.813 1.00 0.00 C ATOM 520 CG TYR A 33 0.063 -10.603 1.849 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.551 -9.348 1.504 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.294 -10.825 3.173 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.678 -8.347 2.447 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.171 -9.830 4.123 1.00 0.00 C ATOM 525 CZ TYR A 33 0.316 -8.593 3.755 1.00 0.00 C ATOM 526 OH TYR A 33 0.442 -7.599 4.699 1.00 0.00 O ATOM 0 H TYR A 33 -2.518 -11.367 0.743 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.472 -10.244 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.611 -12.536 1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.919 -12.056 0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.836 -9.152 0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.674 -11.793 3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.059 -7.377 2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.454 -10.019 5.148 1.00 0.00 H new ATOM 0 HH TYR A 33 0.143 -7.935 5.570 1.00 0.00 H new ATOM 536 N GLN A 34 -0.981 -13.411 -1.537 1.00 0.00 N ATOM 537 CA GLN A 34 -0.734 -14.406 -2.575 1.00 0.00 C ATOM 538 C GLN A 34 -0.846 -13.784 -3.963 1.00 0.00 C ATOM 539 O GLN A 34 -0.121 -14.162 -4.884 1.00 0.00 O ATOM 540 CB GLN A 34 -1.720 -15.568 -2.442 1.00 0.00 C ATOM 541 CG GLN A 34 -3.163 -15.174 -2.713 1.00 0.00 C ATOM 542 CD GLN A 34 -4.080 -16.375 -2.844 1.00 0.00 C ATOM 543 OE1 GLN A 34 -5.064 -16.501 -2.114 1.00 0.00 O ATOM 544 NE2 GLN A 34 -3.762 -17.264 -3.777 1.00 0.00 N ATOM 0 H GLN A 34 -1.573 -13.736 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 34 0.281 -14.784 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.432 -16.359 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.648 -15.982 -1.436 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.520 -14.536 -1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.209 -14.585 -3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.937 -17.119 -4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.342 -18.092 -3.912 1.00 0.00 H new ATOM 553 N LYS A 35 -1.758 -12.830 -4.106 1.00 0.00 N ATOM 554 CA LYS A 35 -1.966 -12.154 -5.382 1.00 0.00 C ATOM 555 C LYS A 35 -0.826 -11.184 -5.675 1.00 0.00 C ATOM 556 O LYS A 35 -0.311 -11.135 -6.793 1.00 0.00 O ATOM 557 CB LYS A 35 -3.299 -11.403 -5.374 1.00 0.00 C ATOM 558 CG LYS A 35 -3.559 -10.612 -6.644 1.00 0.00 C ATOM 559 CD LYS A 35 -4.407 -9.381 -6.370 1.00 0.00 C ATOM 560 CE LYS A 35 -5.892 -9.692 -6.476 1.00 0.00 C ATOM 561 NZ LYS A 35 -6.729 -8.476 -6.277 1.00 0.00 N ATOM 0 H LYS A 35 -2.366 -12.506 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.987 -12.911 -6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.109 -12.118 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.318 -10.723 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.610 -10.310 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.063 -11.247 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.184 -8.999 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.148 -8.594 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.104 -10.123 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.160 -10.443 -5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.734 -8.730 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.546 -8.079 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.492 -7.769 -7.002 1.00 0.00 H new ATOM 575 N LEU A 36 -0.435 -10.414 -4.665 1.00 0.00 N ATOM 576 CA LEU A 36 0.646 -9.446 -4.814 1.00 0.00 C ATOM 577 C LEU A 36 1.911 -10.119 -5.335 1.00 0.00 C ATOM 578 O LEU A 36 2.645 -9.544 -6.139 1.00 0.00 O ATOM 579 CB LEU A 36 0.932 -8.762 -3.477 1.00 0.00 C ATOM 580 CG LEU A 36 -0.130 -7.777 -2.986 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.119 -7.404 -1.532 1.00 0.00 C ATOM 582 CD2 LEU A 36 -0.148 -6.533 -3.862 1.00 0.00 C ATOM 0 H LEU A 36 -0.851 -10.441 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 36 0.331 -8.695 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.062 -9.533 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.881 -8.232 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.105 -8.259 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.646 -6.703 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.081 -8.301 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.101 -6.940 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.909 -5.843 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.828 -6.049 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.375 -6.815 -4.890 1.00 0.00 H new ATOM 594 N GLU A 37 2.159 -11.341 -4.874 1.00 0.00 N ATOM 595 CA GLU A 37 3.336 -12.092 -5.295 1.00 0.00 C ATOM 596 C GLU A 37 3.224 -12.500 -6.761 1.00 0.00 C ATOM 597 O GLU A 37 4.178 -13.013 -7.347 1.00 0.00 O ATOM 598 CB GLU A 37 3.515 -13.335 -4.421 1.00 0.00 C ATOM 599 CG GLU A 37 4.705 -14.192 -4.818 1.00 0.00 C ATOM 600 CD GLU A 37 4.346 -15.251 -5.841 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.161 -15.640 -5.902 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.251 -15.691 -6.581 1.00 0.00 O ATOM 0 H GLU A 37 1.561 -11.832 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 37 4.207 -11.447 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.632 -13.025 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.609 -13.939 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.489 -13.553 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.113 -14.674 -3.930 1.00 0.00 H new ATOM 609 N GLN A 38 2.054 -12.269 -7.346 1.00 0.00 N ATOM 610 CA GLN A 38 1.817 -12.613 -8.743 1.00 0.00 C ATOM 611 C GLN A 38 1.920 -11.379 -9.633 1.00 0.00 C ATOM 612 O GLN A 38 2.228 -11.483 -10.821 1.00 0.00 O ATOM 613 CB GLN A 38 0.441 -13.260 -8.905 1.00 0.00 C ATOM 614 CG GLN A 38 0.195 -13.828 -10.293 1.00 0.00 C ATOM 615 CD GLN A 38 -0.779 -14.991 -10.284 1.00 0.00 C ATOM 616 OE1 GLN A 38 -1.132 -15.511 -9.226 1.00 0.00 O ATOM 617 NE2 GLN A 38 -1.218 -15.404 -11.467 1.00 0.00 N ATOM 0 H GLN A 38 1.255 -11.845 -6.875 1.00 0.00 H new ATOM 0 HA GLN A 38 2.583 -13.325 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.336 -14.059 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.328 -12.520 -8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.191 -13.041 -10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.143 -14.156 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.898 -14.943 -12.319 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.875 -16.182 -11.524 1.00 0.00 H new ATOM 626 N ILE A 39 1.660 -10.213 -9.052 1.00 0.00 N ATOM 627 CA ILE A 39 1.725 -8.959 -9.793 1.00 0.00 C ATOM 628 C ILE A 39 3.083 -8.288 -9.621 1.00 0.00 C ATOM 629 O ILE A 39 3.591 -7.643 -10.539 1.00 0.00 O ATOM 630 CB ILE A 39 0.621 -7.983 -9.344 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.255 -8.231 -7.879 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.605 -8.124 -10.233 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.654 -7.173 -7.296 1.00 0.00 C ATOM 0 H ILE A 39 1.402 -10.110 -8.070 1.00 0.00 H new ATOM 0 HA ILE A 39 1.576 -9.205 -10.844 1.00 0.00 H new ATOM 0 HB ILE A 39 0.998 -6.964 -9.437 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.231 -9.203 -7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.169 -8.279 -7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.376 -7.428 -9.903 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.334 -7.902 -11.265 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.985 -9.143 -10.169 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.872 -7.413 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.162 -6.202 -7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.584 -7.140 -7.863 1.00 0.00 H new ATOM 645 N THR A 40 3.669 -8.445 -8.437 1.00 0.00 N ATOM 646 CA THR A 40 4.969 -7.855 -8.144 1.00 0.00 C ATOM 647 C THR A 40 6.091 -8.867 -8.349 1.00 0.00 C ATOM 648 O THR A 40 7.255 -8.496 -8.492 1.00 0.00 O ATOM 649 CB THR A 40 5.031 -7.322 -6.700 1.00 0.00 C ATOM 650 OG1 THR A 40 4.882 -8.403 -5.773 1.00 0.00 O ATOM 651 CG2 THR A 40 3.944 -6.286 -6.458 1.00 0.00 C ATOM 0 H THR A 40 3.263 -8.976 -7.666 1.00 0.00 H new ATOM 0 HA THR A 40 5.102 -7.024 -8.836 1.00 0.00 H new ATOM 0 HB THR A 40 6.001 -6.848 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.931 -8.611 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.008 -5.924 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.077 -5.451 -7.146 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.966 -6.739 -6.623 1.00 0.00 H new ATOM 659 N GLY A 41 5.732 -10.147 -8.364 1.00 0.00 N ATOM 660 CA GLY A 41 6.720 -11.192 -8.553 1.00 0.00 C ATOM 661 C GLY A 41 7.692 -11.287 -7.393 1.00 0.00 C ATOM 662 O GLY A 41 8.785 -11.840 -7.533 1.00 0.00 O ATOM 0 H GLY A 41 4.774 -10.479 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.213 -12.149 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.274 -11.002 -9.473 1.00 0.00 H new ATOM 666 N LEU A 42 7.297 -10.747 -6.246 1.00 0.00 N ATOM 667 CA LEU A 42 8.143 -10.772 -5.057 1.00 0.00 C ATOM 668 C LEU A 42 7.567 -11.707 -3.999 1.00 0.00 C ATOM 669 O LEU A 42 6.353 -11.817 -3.827 1.00 0.00 O ATOM 670 CB LEU A 42 8.289 -9.362 -4.482 1.00 0.00 C ATOM 671 CG LEU A 42 9.066 -8.364 -5.342 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.619 -6.941 -5.043 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.563 -8.514 -5.114 1.00 0.00 C ATOM 0 H LEU A 42 6.397 -10.286 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 42 9.126 -11.143 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.292 -8.959 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.781 -9.436 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 42 8.856 -8.577 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.182 -6.245 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.555 -6.841 -5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.799 -6.717 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.099 -7.796 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.792 -8.329 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.872 -9.525 -5.380 1.00 0.00 H new ATOM 685 N PRO A 43 8.457 -12.397 -3.271 1.00 0.00 N ATOM 686 CA PRO A 43 8.061 -13.333 -2.215 1.00 0.00 C ATOM 687 C PRO A 43 7.043 -12.727 -1.255 1.00 0.00 C ATOM 688 O PRO A 43 7.084 -11.531 -0.966 1.00 0.00 O ATOM 689 CB PRO A 43 9.376 -13.624 -1.487 1.00 0.00 C ATOM 690 CG PRO A 43 10.435 -13.377 -2.505 1.00 0.00 C ATOM 691 CD PRO A 43 9.920 -12.315 -3.422 1.00 0.00 C ATOM 0 HA PRO A 43 7.576 -14.222 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.501 -12.975 -0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.408 -14.651 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.362 -13.058 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.658 -14.289 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.296 -11.330 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.226 -12.494 -4.453 1.00 0.00 H new ATOM 699 N ARG A 44 6.132 -13.560 -0.763 1.00 0.00 N ATOM 700 CA ARG A 44 5.103 -13.105 0.165 1.00 0.00 C ATOM 701 C ARG A 44 5.727 -12.399 1.364 1.00 0.00 C ATOM 702 O ARG A 44 5.268 -11.343 1.801 1.00 0.00 O ATOM 703 CB ARG A 44 4.256 -14.287 0.639 1.00 0.00 C ATOM 704 CG ARG A 44 4.145 -15.407 -0.383 1.00 0.00 C ATOM 705 CD ARG A 44 2.952 -16.306 -0.097 1.00 0.00 C ATOM 706 NE ARG A 44 2.471 -16.977 -1.302 1.00 0.00 N ATOM 707 CZ ARG A 44 3.082 -18.018 -1.857 1.00 0.00 C ATOM 708 NH1 ARG A 44 4.191 -18.504 -1.319 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.583 -18.574 -2.954 1.00 0.00 N ATOM 0 H ARG A 44 6.085 -14.553 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 44 4.463 -12.396 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.687 -14.686 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.256 -13.931 0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.050 -14.981 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.059 -16.000 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.231 -17.052 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.146 -15.712 0.334 1.00 0.00 H new ATOM 0 HE ARG A 44 1.620 -16.627 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.578 -18.079 -0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.658 -19.303 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.730 -18.202 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.053 -19.373 -3.380 1.00 0.00 H new ATOM 723 N PRO A 45 6.797 -12.993 1.911 1.00 0.00 N ATOM 724 CA PRO A 45 7.507 -12.438 3.068 1.00 0.00 C ATOM 725 C PRO A 45 8.131 -11.080 2.768 1.00 0.00 C ATOM 726 O PRO A 45 8.329 -10.266 3.669 1.00 0.00 O ATOM 727 CB PRO A 45 8.595 -13.477 3.348 1.00 0.00 C ATOM 728 CG PRO A 45 8.125 -14.713 2.663 1.00 0.00 C ATOM 729 CD PRO A 45 7.398 -14.254 1.443 1.00 0.00 C ATOM 0 HA PRO A 45 6.839 -12.263 3.911 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.561 -13.153 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.720 -13.641 4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.964 -15.356 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.470 -15.294 3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.071 -14.099 0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.644 -14.972 1.121 1.00 0.00 H new ATOM 737 N GLU A 46 8.438 -10.843 1.496 1.00 0.00 N ATOM 738 CA GLU A 46 9.040 -9.582 1.079 1.00 0.00 C ATOM 739 C GLU A 46 7.985 -8.485 0.968 1.00 0.00 C ATOM 740 O GLU A 46 8.277 -7.306 1.169 1.00 0.00 O ATOM 741 CB GLU A 46 9.756 -9.753 -0.262 1.00 0.00 C ATOM 742 CG GLU A 46 10.914 -8.789 -0.461 1.00 0.00 C ATOM 743 CD GLU A 46 11.988 -9.348 -1.374 1.00 0.00 C ATOM 744 OE1 GLU A 46 11.722 -9.493 -2.585 1.00 0.00 O ATOM 745 OE2 GLU A 46 13.096 -9.639 -0.876 1.00 0.00 O ATOM 0 H GLU A 46 8.280 -11.507 0.738 1.00 0.00 H new ATOM 0 HA GLU A 46 9.766 -9.288 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.128 -10.775 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.036 -9.615 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.537 -7.855 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.354 -8.550 0.507 1.00 0.00 H new ATOM 752 N ILE A 47 6.758 -8.883 0.647 1.00 0.00 N ATOM 753 CA ILE A 47 5.660 -7.935 0.510 1.00 0.00 C ATOM 754 C ILE A 47 5.007 -7.651 1.858 1.00 0.00 C ATOM 755 O ILE A 47 4.793 -6.495 2.225 1.00 0.00 O ATOM 756 CB ILE A 47 4.588 -8.452 -0.468 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.243 -8.960 -1.754 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.580 -7.355 -0.778 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.268 -9.605 -2.714 1.00 0.00 C ATOM 0 H ILE A 47 6.500 -9.855 0.477 1.00 0.00 H new ATOM 0 HA ILE A 47 6.087 -7.013 0.114 1.00 0.00 H new ATOM 0 HB ILE A 47 4.059 -9.282 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.736 -8.127 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.018 -9.682 -1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.829 -7.736 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.095 -7.036 0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.093 -6.506 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.801 -9.942 -3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.793 -10.459 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.506 -8.880 -3.001 1.00 0.00 H new ATOM 771 N ILE A 48 4.694 -8.713 2.593 1.00 0.00 N ATOM 772 CA ILE A 48 4.068 -8.578 3.903 1.00 0.00 C ATOM 773 C ILE A 48 4.826 -7.582 4.774 1.00 0.00 C ATOM 774 O ILE A 48 4.234 -6.667 5.345 1.00 0.00 O ATOM 775 CB ILE A 48 3.995 -9.931 4.634 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.103 -10.905 3.861 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.477 -9.740 6.051 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.453 -12.359 4.093 1.00 0.00 C ATOM 0 H ILE A 48 4.864 -9.676 2.304 1.00 0.00 H new ATOM 0 HA ILE A 48 3.056 -8.211 3.733 1.00 0.00 H new ATOM 0 HB ILE A 48 4.999 -10.353 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.064 -10.739 4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.178 -10.687 2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.431 -10.705 6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.148 -9.077 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.480 -9.300 6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.780 -12.992 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.481 -12.540 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.350 -12.594 5.152 1.00 0.00 H new ATOM 790 N GLN A 49 6.139 -7.768 4.870 1.00 0.00 N ATOM 791 CA GLN A 49 6.978 -6.885 5.671 1.00 0.00 C ATOM 792 C GLN A 49 6.920 -5.454 5.145 1.00 0.00 C ATOM 793 O GLN A 49 6.831 -4.501 5.919 1.00 0.00 O ATOM 794 CB GLN A 49 8.424 -7.383 5.671 1.00 0.00 C ATOM 795 CG GLN A 49 9.213 -6.960 6.900 1.00 0.00 C ATOM 796 CD GLN A 49 10.506 -7.736 7.059 1.00 0.00 C ATOM 797 OE1 GLN A 49 11.333 -7.779 6.148 1.00 0.00 O ATOM 798 NE2 GLN A 49 10.688 -8.353 8.220 1.00 0.00 N ATOM 0 H GLN A 49 6.644 -8.522 4.403 1.00 0.00 H new ATOM 0 HA GLN A 49 6.599 -6.893 6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.425 -8.471 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.928 -7.010 4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.438 -5.896 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.598 -7.101 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.976 -8.291 8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.540 -8.889 8.384 1.00 0.00 H new ATOM 807 N TRP A 50 6.973 -5.312 3.826 1.00 0.00 N ATOM 808 CA TRP A 50 6.927 -3.997 3.197 1.00 0.00 C ATOM 809 C TRP A 50 5.781 -3.163 3.760 1.00 0.00 C ATOM 810 O TRP A 50 5.989 -2.052 4.245 1.00 0.00 O ATOM 811 CB TRP A 50 6.774 -4.139 1.681 1.00 0.00 C ATOM 812 CG TRP A 50 6.703 -2.823 0.966 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.749 -2.116 0.446 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.524 -2.059 0.693 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.291 -0.957 -0.133 1.00 0.00 N ATOM 816 CE2 TRP A 50 5.929 -0.899 0.004 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.165 -2.242 0.962 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.023 0.071 -0.416 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.267 -1.278 0.544 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.699 -0.134 -0.140 1.00 0.00 C ATOM 0 H TRP A 50 7.048 -6.091 3.171 1.00 0.00 H new ATOM 0 HA TRP A 50 7.864 -3.485 3.414 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.615 -4.712 1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.871 -4.711 1.466 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.784 -2.423 0.484 1.00 0.00 H new ATOM 0 HE1 TRP A 50 7.871 -0.254 -0.591 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.822 -3.121 1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.354 0.955 -0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.215 -1.409 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.973 0.600 -0.455 1.00 0.00 H new ATOM 831 N PHE A 51 4.571 -3.708 3.692 1.00 0.00 N ATOM 832 CA PHE A 51 3.391 -3.013 4.194 1.00 0.00 C ATOM 833 C PHE A 51 3.642 -2.457 5.593 1.00 0.00 C ATOM 834 O PHE A 51 3.263 -1.328 5.901 1.00 0.00 O ATOM 835 CB PHE A 51 2.188 -3.959 4.218 1.00 0.00 C ATOM 836 CG PHE A 51 1.449 -4.021 2.912 1.00 0.00 C ATOM 837 CD1 PHE A 51 0.415 -3.138 2.643 1.00 0.00 C ATOM 838 CD2 PHE A 51 1.789 -4.961 1.953 1.00 0.00 C ATOM 839 CE1 PHE A 51 -0.267 -3.194 1.442 1.00 0.00 C ATOM 840 CE2 PHE A 51 1.110 -5.022 0.750 1.00 0.00 C ATOM 841 CZ PHE A 51 0.082 -4.136 0.494 1.00 0.00 C ATOM 0 H PHE A 51 4.382 -4.628 3.295 1.00 0.00 H new ATOM 0 HA PHE A 51 3.177 -2.181 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.528 -4.960 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.500 -3.640 5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.139 -2.398 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.594 -5.654 2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.072 -2.502 1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.383 -5.761 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.448 -4.180 -0.446 1.00 0.00 H new ATOM 851 N GLY A 52 4.284 -3.260 6.436 1.00 0.00 N ATOM 852 CA GLY A 52 4.575 -2.831 7.792 1.00 0.00 C ATOM 853 C GLY A 52 5.376 -1.545 7.835 1.00 0.00 C ATOM 854 O GLY A 52 4.955 -0.564 8.448 1.00 0.00 O ATOM 0 H GLY A 52 4.608 -4.199 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.640 -2.691 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.127 -3.617 8.307 1.00 0.00 H new ATOM 858 N ASP A 53 6.533 -1.549 7.183 1.00 0.00 N ATOM 859 CA ASP A 53 7.396 -0.374 7.149 1.00 0.00 C ATOM 860 C ASP A 53 6.660 0.823 6.555 1.00 0.00 C ATOM 861 O ASP A 53 6.784 1.947 7.043 1.00 0.00 O ATOM 862 CB ASP A 53 8.660 -0.666 6.339 1.00 0.00 C ATOM 863 CG ASP A 53 9.839 0.178 6.782 1.00 0.00 C ATOM 864 OD1 ASP A 53 10.356 -0.061 7.894 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.246 1.077 6.016 1.00 0.00 O ATOM 0 H ASP A 53 6.895 -2.353 6.671 1.00 0.00 H new ATOM 0 HA ASP A 53 7.679 -0.132 8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.915 -1.721 6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.462 -0.483 5.283 1.00 0.00 H new ATOM 870 N THR A 54 5.895 0.575 5.496 1.00 0.00 N ATOM 871 CA THR A 54 5.141 1.632 4.834 1.00 0.00 C ATOM 872 C THR A 54 4.320 2.434 5.837 1.00 0.00 C ATOM 873 O THR A 54 4.298 3.664 5.793 1.00 0.00 O ATOM 874 CB THR A 54 4.200 1.060 3.757 1.00 0.00 C ATOM 875 OG1 THR A 54 4.959 0.368 2.760 1.00 0.00 O ATOM 876 CG2 THR A 54 3.388 2.168 3.104 1.00 0.00 C ATOM 0 H THR A 54 5.782 -0.349 5.079 1.00 0.00 H new ATOM 0 HA THR A 54 5.869 2.289 4.358 1.00 0.00 H new ATOM 0 HB THR A 54 3.514 0.364 4.239 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.385 0.171 1.990 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.731 1.740 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.788 2.674 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.062 2.885 2.636 1.00 0.00 H new ATOM 884 N ARG A 55 3.646 1.729 6.740 1.00 0.00 N ATOM 885 CA ARG A 55 2.823 2.377 7.754 1.00 0.00 C ATOM 886 C ARG A 55 3.647 3.365 8.575 1.00 0.00 C ATOM 887 O ARG A 55 3.224 4.496 8.811 1.00 0.00 O ATOM 888 CB ARG A 55 2.196 1.330 8.677 1.00 0.00 C ATOM 889 CG ARG A 55 1.192 0.426 7.979 1.00 0.00 C ATOM 890 CD ARG A 55 0.610 -0.603 8.935 1.00 0.00 C ATOM 891 NE ARG A 55 1.618 -1.554 9.396 1.00 0.00 N ATOM 892 CZ ARG A 55 2.424 -1.328 10.428 1.00 0.00 C ATOM 893 NH1 ARG A 55 2.340 -0.190 11.102 1.00 0.00 N ATOM 894 NH2 ARG A 55 3.316 -2.243 10.786 1.00 0.00 N ATOM 0 H ARG A 55 3.654 0.710 6.790 1.00 0.00 H new ATOM 0 HA ARG A 55 2.031 2.926 7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.988 0.716 9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.701 1.838 9.505 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.388 1.030 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.677 -0.083 7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.173 -0.093 9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.197 -1.142 8.439 1.00 0.00 H new ATOM 0 HE ARG A 55 1.708 -2.440 8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.655 0.515 10.829 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.960 -0.019 11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.383 -3.120 10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.935 -2.070 11.578 1.00 0.00 H new ATOM 908 N TYR A 56 4.825 2.928 9.006 1.00 0.00 N ATOM 909 CA TYR A 56 5.708 3.773 9.803 1.00 0.00 C ATOM 910 C TYR A 56 5.910 5.130 9.137 1.00 0.00 C ATOM 911 O TYR A 56 5.476 6.159 9.654 1.00 0.00 O ATOM 912 CB TYR A 56 7.059 3.086 10.006 1.00 0.00 C ATOM 913 CG TYR A 56 8.207 4.051 10.195 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.153 5.044 11.165 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.346 3.969 9.404 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.200 5.929 11.341 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.398 4.849 9.573 1.00 0.00 C ATOM 918 CZ TYR A 56 10.320 5.827 10.542 1.00 0.00 C ATOM 919 OH TYR A 56 11.365 6.705 10.715 1.00 0.00 O ATOM 0 H TYR A 56 5.191 1.995 8.817 1.00 0.00 H new ATOM 0 HA TYR A 56 5.239 3.931 10.774 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.998 2.433 10.876 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.267 2.451 9.145 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.278 5.126 11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.410 3.204 8.644 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.142 6.696 12.099 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.276 4.771 8.950 1.00 0.00 H new ATOM 0 HH TYR A 56 12.077 6.497 10.074 1.00 0.00 H new ATOM 929 N ALA A 57 6.572 5.124 7.984 1.00 0.00 N ATOM 930 CA ALA A 57 6.831 6.353 7.245 1.00 0.00 C ATOM 931 C ALA A 57 5.577 7.217 7.161 1.00 0.00 C ATOM 932 O ALA A 57 5.589 8.386 7.549 1.00 0.00 O ATOM 933 CB ALA A 57 7.346 6.031 5.850 1.00 0.00 C ATOM 0 H ALA A 57 6.939 4.281 7.542 1.00 0.00 H new ATOM 0 HA ALA A 57 7.594 6.917 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.535 6.958 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.271 5.460 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.601 5.444 5.314 1.00 0.00 H new ATOM 939 N LEU A 58 4.496 6.636 6.652 1.00 0.00 N ATOM 940 CA LEU A 58 3.233 7.353 6.517 1.00 0.00 C ATOM 941 C LEU A 58 2.874 8.072 7.813 1.00 0.00 C ATOM 942 O LEU A 58 2.728 9.294 7.838 1.00 0.00 O ATOM 943 CB LEU A 58 2.114 6.386 6.129 1.00 0.00 C ATOM 944 CG LEU A 58 0.689 6.931 6.237 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.292 7.644 4.953 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.290 5.808 6.549 1.00 0.00 C ATOM 0 H LEU A 58 4.469 5.670 6.326 1.00 0.00 H new ATOM 0 HA LEU A 58 3.349 8.098 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.281 6.062 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.192 5.500 6.759 1.00 0.00 H new ATOM 0 HG LEU A 58 0.657 7.651 7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.725 8.025 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.975 8.474 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.341 6.945 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.299 6.215 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.256 5.064 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.018 5.340 7.495 1.00 0.00 H new ATOM 958 N LYS A 59 2.735 7.306 8.890 1.00 0.00 N ATOM 959 CA LYS A 59 2.396 7.869 10.192 1.00 0.00 C ATOM 960 C LYS A 59 3.226 9.117 10.477 1.00 0.00 C ATOM 961 O LYS A 59 2.713 10.110 10.994 1.00 0.00 O ATOM 962 CB LYS A 59 2.622 6.831 11.293 1.00 0.00 C ATOM 963 CG LYS A 59 2.509 7.399 12.697 1.00 0.00 C ATOM 964 CD LYS A 59 3.756 8.174 13.087 1.00 0.00 C ATOM 965 CE LYS A 59 4.004 8.114 14.586 1.00 0.00 C ATOM 966 NZ LYS A 59 4.697 9.334 15.084 1.00 0.00 N ATOM 0 H LYS A 59 2.852 6.293 8.887 1.00 0.00 H new ATOM 0 HA LYS A 59 1.343 8.150 10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.896 6.026 11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.611 6.390 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.639 8.053 12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.347 6.588 13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.618 7.768 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.652 9.213 12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.053 7.999 15.107 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.604 7.235 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.847 9.253 16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.616 9.431 14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.113 10.171 14.884 1.00 0.00 H new ATOM 980 N HIS A 60 4.509 9.060 10.136 1.00 0.00 N ATOM 981 CA HIS A 60 5.409 10.187 10.354 1.00 0.00 C ATOM 982 C HIS A 60 5.239 11.238 9.261 1.00 0.00 C ATOM 983 O HIS A 60 5.510 12.419 9.474 1.00 0.00 O ATOM 984 CB HIS A 60 6.860 9.708 10.395 1.00 0.00 C ATOM 985 CG HIS A 60 7.234 9.039 11.682 1.00 0.00 C ATOM 986 ND1 HIS A 60 6.924 7.814 12.166 1.00 0.00 N flip ATOM 987 CD2 HIS A 60 8.020 9.641 12.642 1.00 0.00 C flip ATOM 988 CE1 HIS A 60 7.522 7.698 13.396 1.00 0.00 C flip ATOM 989 NE2 HIS A 60 8.178 8.814 13.660 1.00 0.00 N flip ATOM 0 H HIS A 60 4.949 8.246 9.708 1.00 0.00 H new ATOM 0 HA HIS A 60 5.157 10.641 11.312 1.00 0.00 H new ATOM 0 HB2 HIS A 60 7.028 9.014 9.572 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.520 10.560 10.233 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.441 10.633 12.572 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.465 6.835 14.043 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.715 9.005 14.506 1.00 0.00 H new ATOM 998 N GLY A 61 4.789 10.798 8.089 1.00 0.00 N ATOM 999 CA GLY A 61 4.591 11.713 6.980 1.00 0.00 C ATOM 1000 C GLY A 61 5.738 11.680 5.990 1.00 0.00 C ATOM 1001 O GLY A 61 6.158 12.720 5.483 1.00 0.00 O ATOM 0 H GLY A 61 4.558 9.825 7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.664 11.461 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.476 12.726 7.365 1.00 0.00 H new ATOM 1005 N GLN A 62 6.247 10.484 5.716 1.00 0.00 N ATOM 1006 CA GLN A 62 7.354 10.321 4.781 1.00 0.00 C ATOM 1007 C GLN A 62 6.841 10.079 3.366 1.00 0.00 C ATOM 1008 O GLN A 62 7.305 10.704 2.411 1.00 0.00 O ATOM 1009 CB GLN A 62 8.250 9.160 5.217 1.00 0.00 C ATOM 1010 CG GLN A 62 9.355 9.570 6.176 1.00 0.00 C ATOM 1011 CD GLN A 62 10.585 8.693 6.060 1.00 0.00 C ATOM 1012 OE1 GLN A 62 11.507 8.994 5.301 1.00 0.00 O ATOM 1013 NE2 GLN A 62 10.607 7.599 6.813 1.00 0.00 N ATOM 0 H GLN A 62 5.911 9.613 6.128 1.00 0.00 H new ATOM 0 HA GLN A 62 7.937 11.242 4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.634 8.395 5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.698 8.706 4.333 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.633 10.606 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.978 9.527 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.821 7.387 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.409 6.970 6.776 1.00 0.00 H new ATOM 1022 N LEU A 63 5.882 9.170 3.237 1.00 0.00 N ATOM 1023 CA LEU A 63 5.305 8.845 1.937 1.00 0.00 C ATOM 1024 C LEU A 63 4.959 10.113 1.162 1.00 0.00 C ATOM 1025 O LEU A 63 4.376 11.049 1.710 1.00 0.00 O ATOM 1026 CB LEU A 63 4.052 7.985 2.113 1.00 0.00 C ATOM 1027 CG LEU A 63 4.275 6.472 2.138 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.272 6.097 3.224 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.957 5.742 2.347 1.00 0.00 C ATOM 0 H LEU A 63 5.487 8.644 4.017 1.00 0.00 H new ATOM 0 HA LEU A 63 6.047 8.284 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.564 8.276 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.360 8.217 1.304 1.00 0.00 H new ATOM 0 HG LEU A 63 4.687 6.169 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.418 5.017 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.224 6.591 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.889 6.414 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.135 4.667 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.517 6.050 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.273 5.985 1.534 1.00 0.00 H new ATOM 1041 N LYS A 64 5.322 10.136 -0.116 1.00 0.00 N ATOM 1042 CA LYS A 64 5.048 11.287 -0.968 1.00 0.00 C ATOM 1043 C LYS A 64 3.892 10.996 -1.921 1.00 0.00 C ATOM 1044 O LYS A 64 3.292 11.913 -2.482 1.00 0.00 O ATOM 1045 CB LYS A 64 6.297 11.665 -1.767 1.00 0.00 C ATOM 1046 CG LYS A 64 6.858 10.523 -2.597 1.00 0.00 C ATOM 1047 CD LYS A 64 7.878 9.713 -1.815 1.00 0.00 C ATOM 1048 CE LYS A 64 9.284 10.263 -1.998 1.00 0.00 C ATOM 1049 NZ LYS A 64 9.744 10.152 -3.410 1.00 0.00 N ATOM 0 H LYS A 64 5.807 9.370 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 64 4.767 12.123 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.057 12.499 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.066 12.015 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.045 9.872 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.323 10.922 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.617 9.722 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.847 8.674 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.308 11.308 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.973 9.723 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.782 10.090 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.336 9.298 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.435 10.990 -3.943 1.00 0.00 H new ATOM 1063 N TRP A 65 3.585 9.716 -2.097 1.00 0.00 N ATOM 1064 CA TRP A 65 2.499 9.306 -2.980 1.00 0.00 C ATOM 1065 C TRP A 65 1.184 9.202 -2.215 1.00 0.00 C ATOM 1066 O TRP A 65 0.107 9.364 -2.789 1.00 0.00 O ATOM 1067 CB TRP A 65 2.829 7.964 -3.637 1.00 0.00 C ATOM 1068 CG TRP A 65 3.531 7.010 -2.719 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.864 6.989 -2.423 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.937 5.938 -1.979 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.135 5.968 -1.544 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.969 5.309 -1.255 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.634 5.449 -1.856 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.736 4.217 -0.423 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.404 4.365 -1.030 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.451 3.759 -0.322 1.00 0.00 C ATOM 0 H TRP A 65 4.072 8.945 -1.641 1.00 0.00 H new ATOM 0 HA TRP A 65 2.387 10.065 -3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.906 7.504 -3.991 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.453 8.140 -4.513 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.598 7.674 -2.821 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.055 5.738 -1.168 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.821 5.910 -2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.541 3.748 0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.401 3.978 -0.928 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.239 2.914 0.316 1.00 0.00 H new ATOM 1087 N PHE A 66 1.279 8.932 -0.917 1.00 0.00 N ATOM 1088 CA PHE A 66 0.096 8.807 -0.074 1.00 0.00 C ATOM 1089 C PHE A 66 -0.506 10.176 0.225 1.00 0.00 C ATOM 1090 O PHE A 66 0.193 11.189 0.214 1.00 0.00 O ATOM 1091 CB PHE A 66 0.450 8.095 1.234 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.731 7.453 1.905 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.590 8.203 2.692 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.982 6.100 1.748 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.677 7.616 3.311 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -2.068 5.507 2.364 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.916 6.265 3.147 1.00 0.00 C ATOM 0 H PHE A 66 2.163 8.796 -0.426 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.644 8.215 -0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.202 7.332 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.901 8.813 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.408 9.259 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.322 5.502 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.339 8.212 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.253 4.451 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.764 5.803 3.630 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.808 10.198 0.492 1.00 0.00 N ATOM 1108 CA ARG A 67 -2.506 11.442 0.792 1.00 0.00 C ATOM 1109 C ARG A 67 -1.945 12.594 -0.038 1.00 0.00 C ATOM 1110 O ARG A 67 -1.756 13.701 0.467 1.00 0.00 O ATOM 1111 CB ARG A 67 -2.391 11.770 2.282 1.00 0.00 C ATOM 1112 CG ARG A 67 -0.968 12.059 2.734 1.00 0.00 C ATOM 1113 CD ARG A 67 -0.863 12.102 4.250 1.00 0.00 C ATOM 1114 NE ARG A 67 0.471 12.495 4.695 1.00 0.00 N ATOM 1115 CZ ARG A 67 0.898 13.752 4.718 1.00 0.00 C ATOM 1116 NH1 ARG A 67 0.099 14.734 4.322 1.00 0.00 N ATOM 1117 NH2 ARG A 67 2.126 14.030 5.137 1.00 0.00 N ATOM 0 H ARG A 67 -2.401 9.368 0.507 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.557 11.310 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.017 12.634 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.784 10.934 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.298 11.293 2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.639 13.012 2.318 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.598 12.803 4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.107 11.121 4.658 1.00 0.00 H new ATOM 0 HE ARG A 67 1.110 11.763 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.845 14.524 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.429 15.699 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.743 13.278 5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.453 14.996 5.154 1.00 0.00 H new ATOM 1131 N ASP A 68 -1.681 12.325 -1.312 1.00 0.00 N ATOM 1132 CA ASP A 68 -1.143 13.338 -2.212 1.00 0.00 C ATOM 1133 C ASP A 68 -2.150 13.684 -3.304 1.00 0.00 C ATOM 1134 O ASP A 68 -1.780 13.894 -4.458 1.00 0.00 O ATOM 1135 CB ASP A 68 0.163 12.850 -2.840 1.00 0.00 C ATOM 1136 CG ASP A 68 -0.071 11.980 -4.060 1.00 0.00 C ATOM 1137 OD1 ASP A 68 -1.142 11.343 -4.138 1.00 0.00 O ATOM 1138 OD2 ASP A 68 0.817 11.937 -4.936 1.00 0.00 O ATOM 0 H ASP A 68 -1.831 11.414 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.943 14.238 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.771 13.710 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.731 12.287 -2.099 1.00 0.00 H new ATOM 1143 N ASN A 69 -3.424 13.741 -2.931 1.00 0.00 N ATOM 1144 CA ASN A 69 -4.485 14.060 -3.880 1.00 0.00 C ATOM 1145 C ASN A 69 -4.109 15.271 -4.729 1.00 0.00 C ATOM 1146 O ASN A 69 -3.235 16.054 -4.359 1.00 0.00 O ATOM 1147 CB ASN A 69 -5.796 14.331 -3.139 1.00 0.00 C ATOM 1148 CG ASN A 69 -5.597 15.190 -1.906 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -5.163 16.339 -2.000 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -5.913 14.636 -0.741 1.00 0.00 N ATOM 0 H ASN A 69 -3.747 13.571 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.618 13.203 -4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.496 14.825 -3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.249 13.383 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.799 15.166 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.269 13.681 -0.710 1.00 0.00 H new ATOM 1157 N ALA A 70 -4.775 15.417 -5.869 1.00 0.00 N ATOM 1158 CA ALA A 70 -4.514 16.533 -6.770 1.00 0.00 C ATOM 1159 C ALA A 70 -5.806 17.246 -7.151 1.00 0.00 C ATOM 1160 O ALA A 70 -5.861 18.476 -7.186 1.00 0.00 O ATOM 1161 CB ALA A 70 -3.790 16.046 -8.017 1.00 0.00 C ATOM 0 H ALA A 70 -5.500 14.776 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.877 17.247 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.601 16.890 -8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.842 15.589 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.407 15.310 -8.532 1.00 0.00 H new ATOM 1167 N SER A 71 -6.845 16.467 -7.435 1.00 0.00 N ATOM 1168 CA SER A 71 -8.137 17.025 -7.817 1.00 0.00 C ATOM 1169 C SER A 71 -9.213 16.652 -6.802 1.00 0.00 C ATOM 1170 O SER A 71 -9.006 15.786 -5.952 1.00 0.00 O ATOM 1171 CB SER A 71 -8.539 16.530 -9.208 1.00 0.00 C ATOM 1172 OG SER A 71 -9.703 17.193 -9.669 1.00 0.00 O ATOM 0 H SER A 71 -6.817 15.448 -7.408 1.00 0.00 H new ATOM 0 HA SER A 71 -8.043 18.111 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.720 16.698 -9.908 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.717 15.455 -9.177 1.00 0.00 H new ATOM 0 HG SER A 71 -9.938 16.860 -10.560 1.00 0.00 H new ATOM 1178 N GLY A 72 -10.363 17.312 -6.897 1.00 0.00 N ATOM 1179 CA GLY A 72 -11.454 17.036 -5.981 1.00 0.00 C ATOM 1180 C GLY A 72 -12.634 16.375 -6.667 1.00 0.00 C ATOM 1181 O GLY A 72 -13.599 17.031 -7.058 1.00 0.00 O ATOM 0 H GLY A 72 -10.559 18.033 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.096 16.391 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.781 17.968 -5.519 1.00 0.00 H new ATOM 1185 N PRO A 73 -12.563 15.045 -6.823 1.00 0.00 N ATOM 1186 CA PRO A 73 -13.624 14.266 -7.468 1.00 0.00 C ATOM 1187 C PRO A 73 -14.890 14.198 -6.620 1.00 0.00 C ATOM 1188 O PRO A 73 -14.873 14.530 -5.435 1.00 0.00 O ATOM 1189 CB PRO A 73 -13.003 12.875 -7.616 1.00 0.00 C ATOM 1190 CG PRO A 73 -11.976 12.802 -6.539 1.00 0.00 C ATOM 1191 CD PRO A 73 -11.442 14.199 -6.382 1.00 0.00 C ATOM 0 HA PRO A 73 -13.939 14.709 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.753 12.092 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.554 12.745 -8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.413 12.444 -5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.180 12.107 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.163 14.409 -5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.553 14.360 -6.992 1.00 0.00 H new ATOM 1199 N SER A 74 -15.985 13.764 -7.235 1.00 0.00 N ATOM 1200 CA SER A 74 -17.261 13.655 -6.538 1.00 0.00 C ATOM 1201 C SER A 74 -18.312 12.995 -7.426 1.00 0.00 C ATOM 1202 O SER A 74 -18.040 12.650 -8.576 1.00 0.00 O ATOM 1203 CB SER A 74 -17.745 15.038 -6.097 1.00 0.00 C ATOM 1204 OG SER A 74 -17.793 15.935 -7.193 1.00 0.00 O ATOM 0 H SER A 74 -16.014 13.482 -8.215 1.00 0.00 H new ATOM 0 HA SER A 74 -17.113 13.031 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.735 14.954 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 74 -17.079 15.432 -5.329 1.00 0.00 H new ATOM 0 HG SER A 74 -18.107 16.811 -6.885 1.00 0.00 H new ATOM 1210 N SER A 75 -19.513 12.823 -6.883 1.00 0.00 N ATOM 1211 CA SER A 75 -20.604 12.201 -7.623 1.00 0.00 C ATOM 1212 C SER A 75 -21.952 12.756 -7.173 1.00 0.00 C ATOM 1213 O SER A 75 -22.184 12.964 -5.983 1.00 0.00 O ATOM 1214 CB SER A 75 -20.576 10.683 -7.435 1.00 0.00 C ATOM 1215 OG SER A 75 -20.559 10.340 -6.060 1.00 0.00 O ATOM 0 H SER A 75 -19.755 13.106 -5.933 1.00 0.00 H new ATOM 0 HA SER A 75 -20.471 12.431 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 75 -21.448 10.238 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 75 -19.696 10.268 -7.927 1.00 0.00 H new ATOM 0 HG SER A 75 -20.543 9.365 -5.966 1.00 0.00 H new ATOM 1221 N GLY A 76 -22.838 12.994 -8.135 1.00 0.00 N ATOM 1222 CA GLY A 76 -24.152 13.523 -7.819 1.00 0.00 C ATOM 1223 C GLY A 76 -25.084 12.466 -7.260 1.00 0.00 C ATOM 1224 O GLY A 76 -24.654 11.576 -6.526 1.00 0.00 O ATOM 0 H GLY A 76 -22.669 12.830 -9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.050 14.332 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -24.593 13.953 -8.718 1.00 0.00 H new TER 1228 GLY A 76