USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 43 LYS NZ :NH3+ 132:sc= 1.1 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= -2.88! C(o=-1.8!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.656! USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 146:sc= -2.78! (180deg=-5.1!) USER MOD Single : A 10 CYS SG : rot 90:sc= -3.03! USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.326 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 32 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.7!) USER MOD Single : A 37 TYR OH : rot 0:sc= 0.00886 USER MOD Single : A 38 TYR OH : rot 30:sc=-0.00937 USER MOD Single : A 39 SER OG : rot -78:sc= -0.856 USER MOD Single : A 41 SER OG : rot -29:sc= 0.389 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -33:sc= 0.229 USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= -1.3 (180deg=-3.32!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 154:sc= -0.801 (180deg=-2.48!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.84 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -172:sc= 0 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.611 9.089 -4.111 1.00 0.00 N ATOM 2 CA GLY A 1 -25.081 7.932 -3.231 1.00 0.00 C ATOM 3 C GLY A 1 -24.075 7.145 -2.460 1.00 0.00 C ATOM 4 O GLY A 1 -24.390 6.520 -1.467 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.432 9.528 -4.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.126 9.797 -3.524 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.955 8.731 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.799 8.335 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.623 7.234 -3.869 1.00 0.00 H new ATOM 10 N SER A 2 -22.844 7.151 -2.894 1.00 0.00 N ATOM 11 CA SER A 2 -21.794 6.385 -2.165 1.00 0.00 C ATOM 12 C SER A 2 -20.411 6.816 -2.662 1.00 0.00 C ATOM 13 O SER A 2 -20.137 6.810 -3.845 1.00 0.00 O ATOM 14 CB SER A 2 -21.983 4.889 -2.421 1.00 0.00 C ATOM 15 OG SER A 2 -21.667 4.602 -3.776 1.00 0.00 O ATOM 0 H SER A 2 -22.520 7.653 -3.721 1.00 0.00 H new ATOM 0 HA SER A 2 -21.876 6.584 -1.096 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.342 4.310 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.011 4.598 -2.206 1.00 0.00 H new ATOM 0 HG SER A 2 -21.092 5.310 -4.135 1.00 0.00 H new ATOM 21 N MET A 3 -19.539 7.190 -1.766 1.00 0.00 N ATOM 22 CA MET A 3 -18.175 7.617 -2.187 1.00 0.00 C ATOM 23 C MET A 3 -17.277 6.385 -2.326 1.00 0.00 C ATOM 24 O MET A 3 -17.097 5.628 -1.394 1.00 0.00 O ATOM 25 CB MET A 3 -17.587 8.559 -1.134 1.00 0.00 C ATOM 26 CG MET A 3 -17.488 7.830 0.206 1.00 0.00 C ATOM 27 SD MET A 3 -17.543 9.037 1.555 1.00 0.00 S ATOM 28 CE MET A 3 -19.343 9.149 1.685 1.00 0.00 C ATOM 0 H MET A 3 -19.712 7.218 -0.761 1.00 0.00 H new ATOM 0 HA MET A 3 -18.235 8.135 -3.144 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.601 8.901 -1.447 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.214 9.445 -1.032 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.308 7.119 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.562 7.258 0.253 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.608 9.854 2.473 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.756 9.493 0.737 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.752 8.167 1.924 1.00 0.00 H new ATOM 38 N GLU A 4 -16.713 6.180 -3.484 1.00 0.00 N ATOM 39 CA GLU A 4 -15.825 5.000 -3.682 1.00 0.00 C ATOM 40 C GLU A 4 -14.364 5.429 -3.527 1.00 0.00 C ATOM 41 O GLU A 4 -13.983 6.518 -3.911 1.00 0.00 O ATOM 42 CB GLU A 4 -16.041 4.426 -5.084 1.00 0.00 C ATOM 43 CG GLU A 4 -17.420 3.767 -5.159 1.00 0.00 C ATOM 44 CD GLU A 4 -17.679 3.285 -6.586 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.782 3.408 -7.405 1.00 0.00 O ATOM 46 OE2 GLU A 4 -18.770 2.800 -6.839 1.00 0.00 O ATOM 0 H GLU A 4 -16.829 6.779 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.062 4.240 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.964 5.218 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.265 3.696 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.472 2.928 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.191 4.477 -4.858 1.00 0.00 H new ATOM 53 N ARG A 5 -13.543 4.585 -2.966 1.00 0.00 N ATOM 54 CA ARG A 5 -12.108 4.944 -2.790 1.00 0.00 C ATOM 55 C ARG A 5 -11.405 4.914 -4.149 1.00 0.00 C ATOM 56 O ARG A 5 -11.964 4.485 -5.139 1.00 0.00 O ATOM 57 CB ARG A 5 -11.442 3.940 -1.848 1.00 0.00 C ATOM 58 CG ARG A 5 -11.792 2.517 -2.286 1.00 0.00 C ATOM 59 CD ARG A 5 -12.677 1.859 -1.226 1.00 0.00 C ATOM 60 NE ARG A 5 -11.871 1.599 0.000 1.00 0.00 N ATOM 61 CZ ARG A 5 -12.431 1.052 1.044 1.00 0.00 C ATOM 62 NH1 ARG A 5 -13.696 0.733 1.015 1.00 0.00 N ATOM 63 NH2 ARG A 5 -11.726 0.823 2.118 1.00 0.00 N ATOM 0 H ARG A 5 -13.804 3.661 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.033 5.945 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.361 4.079 -1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.776 4.109 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.309 2.537 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.882 1.935 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.522 2.506 -0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.089 0.925 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.882 1.848 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.248 0.911 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.133 0.305 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.737 1.072 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.164 0.395 2.934 1.00 0.00 H new ATOM 77 N LYS A 6 -10.181 5.364 -4.205 1.00 0.00 N ATOM 78 CA LYS A 6 -9.443 5.358 -5.499 1.00 0.00 C ATOM 79 C LYS A 6 -8.242 4.413 -5.398 1.00 0.00 C ATOM 80 O LYS A 6 -7.285 4.684 -4.701 1.00 0.00 O ATOM 81 CB LYS A 6 -8.953 6.774 -5.813 1.00 0.00 C ATOM 82 CG LYS A 6 -8.736 7.541 -4.507 1.00 0.00 C ATOM 83 CD LYS A 6 -10.028 8.262 -4.118 1.00 0.00 C ATOM 84 CE LYS A 6 -9.742 9.244 -2.981 1.00 0.00 C ATOM 85 NZ LYS A 6 -9.411 8.487 -1.742 1.00 0.00 N ATOM 0 H LYS A 6 -9.661 5.735 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.107 5.018 -6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.023 6.731 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.682 7.293 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.438 6.854 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.927 8.261 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.433 8.794 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.781 7.538 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.914 9.899 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.610 9.881 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.706 9.016 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.272 8.359 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.023 7.556 -1.997 1.00 0.00 H new ATOM 99 N ARG A 7 -8.288 3.308 -6.087 1.00 0.00 N ATOM 100 CA ARG A 7 -7.150 2.346 -6.026 1.00 0.00 C ATOM 101 C ARG A 7 -6.179 2.631 -7.173 1.00 0.00 C ATOM 102 O ARG A 7 -6.496 2.435 -8.330 1.00 0.00 O ATOM 103 CB ARG A 7 -7.684 0.917 -6.153 1.00 0.00 C ATOM 104 CG ARG A 7 -8.690 0.645 -5.032 1.00 0.00 C ATOM 105 CD ARG A 7 -9.198 -0.793 -5.139 1.00 0.00 C ATOM 106 NE ARG A 7 -10.001 -0.944 -6.384 1.00 0.00 N ATOM 107 CZ ARG A 7 -10.478 -2.113 -6.716 1.00 0.00 C ATOM 108 NH1 ARG A 7 -10.252 -3.149 -5.955 1.00 0.00 N ATOM 109 NH2 ARG A 7 -11.181 -2.245 -7.808 1.00 0.00 N ATOM 0 H ARG A 7 -9.062 3.028 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.630 2.457 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.160 0.781 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.861 0.204 -6.098 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.221 0.805 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.525 1.343 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.358 -1.487 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.806 -1.041 -4.269 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.178 -0.134 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.703 -3.045 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.624 -4.063 -6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.358 -1.435 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.554 -3.158 -8.067 1.00 0.00 H new ATOM 123 N TRP A 8 -4.998 3.092 -6.863 1.00 0.00 N ATOM 124 CA TRP A 8 -4.004 3.375 -7.936 1.00 0.00 C ATOM 125 C TRP A 8 -2.933 2.282 -7.937 1.00 0.00 C ATOM 126 O TRP A 8 -2.747 1.578 -6.964 1.00 0.00 O ATOM 127 CB TRP A 8 -3.348 4.732 -7.678 1.00 0.00 C ATOM 128 CG TRP A 8 -4.403 5.788 -7.598 1.00 0.00 C ATOM 129 CD1 TRP A 8 -5.471 5.883 -8.424 1.00 0.00 C ATOM 130 CD2 TRP A 8 -4.512 6.897 -6.659 1.00 0.00 C ATOM 131 NE1 TRP A 8 -6.227 6.979 -8.052 1.00 0.00 N ATOM 132 CE2 TRP A 8 -5.678 7.637 -6.968 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.721 7.328 -5.579 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -6.045 8.764 -6.234 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -4.088 8.462 -4.837 1.00 0.00 C ATOM 136 CH2 TRP A 8 -5.248 9.179 -5.164 1.00 0.00 C ATOM 0 H TRP A 8 -4.679 3.285 -5.914 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.507 3.393 -8.903 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.778 4.702 -6.750 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.644 4.966 -8.477 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.696 5.212 -9.240 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -7.086 7.267 -8.521 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.826 6.783 -5.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.939 9.313 -6.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.473 8.784 -4.009 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.525 10.051 -4.590 1.00 0.00 H new ATOM 147 N GLU A 9 -2.223 2.135 -9.024 1.00 0.00 N ATOM 148 CA GLU A 9 -1.164 1.089 -9.086 1.00 0.00 C ATOM 149 C GLU A 9 0.070 1.567 -8.318 1.00 0.00 C ATOM 150 O GLU A 9 0.451 2.718 -8.391 1.00 0.00 O ATOM 151 CB GLU A 9 -0.788 0.830 -10.546 1.00 0.00 C ATOM 152 CG GLU A 9 -1.956 0.148 -11.261 1.00 0.00 C ATOM 153 CD GLU A 9 -1.598 -0.065 -12.733 1.00 0.00 C ATOM 154 OE1 GLU A 9 -0.507 0.318 -13.119 1.00 0.00 O ATOM 155 OE2 GLU A 9 -2.424 -0.608 -13.449 1.00 0.00 O ATOM 0 H GLU A 9 -2.331 2.694 -9.870 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.536 0.168 -8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.543 1.769 -11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.101 0.201 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.178 -0.808 -10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.854 0.760 -11.179 1.00 0.00 H new ATOM 162 N CYS A 10 0.697 0.691 -7.580 1.00 0.00 N ATOM 163 CA CYS A 10 1.914 1.093 -6.821 1.00 0.00 C ATOM 164 C CYS A 10 3.156 0.512 -7.500 1.00 0.00 C ATOM 165 O CYS A 10 3.456 -0.659 -7.368 1.00 0.00 O ATOM 166 CB CYS A 10 1.820 0.560 -5.389 1.00 0.00 C ATOM 167 SG CYS A 10 2.758 1.641 -4.281 1.00 0.00 S ATOM 0 H CYS A 10 0.419 -0.284 -7.471 1.00 0.00 H new ATOM 0 HA CYS A 10 1.987 2.180 -6.801 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.777 0.515 -5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.212 -0.456 -5.341 1.00 0.00 H new ATOM 0 HG CYS A 10 1.980 2.580 -3.830 1.00 0.00 H new ATOM 173 N PRO A 11 3.869 1.330 -8.224 1.00 0.00 N ATOM 174 CA PRO A 11 5.085 0.899 -8.969 1.00 0.00 C ATOM 175 C PRO A 11 6.269 0.622 -8.037 1.00 0.00 C ATOM 176 O PRO A 11 7.260 0.040 -8.431 1.00 0.00 O ATOM 177 CB PRO A 11 5.393 2.085 -9.883 1.00 0.00 C ATOM 178 CG PRO A 11 4.778 3.271 -9.217 1.00 0.00 C ATOM 179 CD PRO A 11 3.591 2.762 -8.408 1.00 0.00 C ATOM 0 HA PRO A 11 4.918 -0.034 -9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.468 2.217 -10.006 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.975 1.933 -10.878 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.501 3.768 -8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.455 4.004 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.510 3.278 -7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.651 2.921 -8.937 1.00 0.00 H new ATOM 187 N ALA A 12 6.174 1.035 -6.803 1.00 0.00 N ATOM 188 CA ALA A 12 7.295 0.802 -5.850 1.00 0.00 C ATOM 189 C ALA A 12 7.196 -0.615 -5.282 1.00 0.00 C ATOM 190 O ALA A 12 8.157 -1.163 -4.781 1.00 0.00 O ATOM 191 CB ALA A 12 7.214 1.816 -4.708 1.00 0.00 C ATOM 0 H ALA A 12 5.368 1.524 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 12 8.245 0.919 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.034 1.645 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.286 2.826 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.264 1.701 -4.186 1.00 0.00 H new ATOM 197 N LEU A 13 6.038 -1.213 -5.355 1.00 0.00 N ATOM 198 CA LEU A 13 5.876 -2.593 -4.817 1.00 0.00 C ATOM 199 C LEU A 13 5.908 -3.598 -5.972 1.00 0.00 C ATOM 200 O LEU A 13 5.652 -3.256 -7.109 1.00 0.00 O ATOM 201 CB LEU A 13 4.538 -2.703 -4.084 1.00 0.00 C ATOM 202 CG LEU A 13 4.638 -1.998 -2.731 1.00 0.00 C ATOM 203 CD1 LEU A 13 5.671 -2.711 -1.858 1.00 0.00 C ATOM 204 CD2 LEU A 13 5.068 -0.545 -2.945 1.00 0.00 C ATOM 0 H LEU A 13 5.197 -0.805 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 13 6.689 -2.809 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.745 -2.254 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.275 -3.751 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 13 3.667 -2.022 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.742 -2.208 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.366 -3.746 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.643 -2.688 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.140 -0.041 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.039 -0.522 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.332 -0.036 -3.567 1.00 0.00 H new ATOM 216 N PRO A 14 6.222 -4.829 -5.674 1.00 0.00 N ATOM 217 CA PRO A 14 6.293 -5.914 -6.694 1.00 0.00 C ATOM 218 C PRO A 14 5.011 -6.009 -7.528 1.00 0.00 C ATOM 219 O PRO A 14 3.922 -5.793 -7.035 1.00 0.00 O ATOM 220 CB PRO A 14 6.487 -7.185 -5.866 1.00 0.00 C ATOM 221 CG PRO A 14 7.078 -6.729 -4.571 1.00 0.00 C ATOM 222 CD PRO A 14 6.543 -5.321 -4.325 1.00 0.00 C ATOM 0 HA PRO A 14 7.093 -5.739 -7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.539 -7.698 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.148 -7.888 -6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.797 -7.399 -3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.167 -6.728 -4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.662 -5.334 -3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.285 -4.691 -3.835 1.00 0.00 H new ATOM 230 N GLN A 15 5.133 -6.332 -8.786 1.00 0.00 N ATOM 231 CA GLN A 15 3.924 -6.430 -9.651 1.00 0.00 C ATOM 232 C GLN A 15 2.846 -7.244 -8.930 1.00 0.00 C ATOM 233 O GLN A 15 3.065 -8.376 -8.542 1.00 0.00 O ATOM 234 CB GLN A 15 4.292 -7.122 -10.965 1.00 0.00 C ATOM 235 CG GLN A 15 5.196 -6.205 -11.789 1.00 0.00 C ATOM 236 CD GLN A 15 5.596 -6.912 -13.086 1.00 0.00 C ATOM 237 OE1 GLN A 15 5.190 -8.029 -13.331 1.00 0.00 O ATOM 238 NE2 GLN A 15 6.379 -6.301 -13.932 1.00 0.00 N ATOM 0 H GLN A 15 6.018 -6.532 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 15 3.545 -5.430 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.800 -8.065 -10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.389 -7.361 -11.527 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.677 -5.273 -12.015 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.086 -5.943 -11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.720 -5.362 -13.725 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.650 -6.762 -14.800 1.00 0.00 H new ATOM 247 N GLY A 16 1.686 -6.679 -8.749 1.00 0.00 N ATOM 248 CA GLY A 16 0.593 -7.423 -8.060 1.00 0.00 C ATOM 249 C GLY A 16 0.101 -6.617 -6.858 1.00 0.00 C ATOM 250 O GLY A 16 -1.002 -6.803 -6.383 1.00 0.00 O ATOM 0 H GLY A 16 1.446 -5.734 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.230 -7.603 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.953 -8.398 -7.733 1.00 0.00 H new ATOM 254 N TRP A 17 0.910 -5.722 -6.360 1.00 0.00 N ATOM 255 CA TRP A 17 0.483 -4.897 -5.195 1.00 0.00 C ATOM 256 C TRP A 17 -0.304 -3.683 -5.692 1.00 0.00 C ATOM 257 O TRP A 17 -0.039 -3.150 -6.751 1.00 0.00 O ATOM 258 CB TRP A 17 1.717 -4.424 -4.426 1.00 0.00 C ATOM 259 CG TRP A 17 2.342 -5.588 -3.725 1.00 0.00 C ATOM 260 CD1 TRP A 17 2.786 -6.712 -4.332 1.00 0.00 C ATOM 261 CD2 TRP A 17 2.600 -5.760 -2.302 1.00 0.00 C ATOM 262 NE1 TRP A 17 3.301 -7.564 -3.371 1.00 0.00 N ATOM 263 CE2 TRP A 17 3.208 -7.024 -2.104 1.00 0.00 C ATOM 264 CE3 TRP A 17 2.368 -4.954 -1.173 1.00 0.00 C ATOM 265 CZ2 TRP A 17 3.572 -7.469 -0.834 1.00 0.00 C ATOM 266 CZ3 TRP A 17 2.734 -5.399 0.107 1.00 0.00 C ATOM 267 CH2 TRP A 17 3.335 -6.655 0.277 1.00 0.00 C ATOM 0 H TRP A 17 1.848 -5.527 -6.710 1.00 0.00 H new ATOM 0 HA TRP A 17 -0.148 -5.495 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.434 -3.970 -5.110 1.00 0.00 H new ATOM 0 HB3 TRP A 17 1.437 -3.658 -3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.745 -6.912 -5.393 1.00 0.00 H new ATOM 0 HE1 TRP A 17 3.701 -8.480 -3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.905 -3.986 -1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.034 -8.437 -0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.552 -4.771 0.966 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.614 -6.992 1.264 1.00 0.00 H new ATOM 278 N GLU A 18 -1.273 -3.241 -4.936 1.00 0.00 N ATOM 279 CA GLU A 18 -2.082 -2.068 -5.371 1.00 0.00 C ATOM 280 C GLU A 18 -2.199 -1.073 -4.215 1.00 0.00 C ATOM 281 O GLU A 18 -2.198 -1.445 -3.059 1.00 0.00 O ATOM 282 CB GLU A 18 -3.479 -2.537 -5.783 1.00 0.00 C ATOM 283 CG GLU A 18 -3.378 -3.394 -7.047 1.00 0.00 C ATOM 284 CD GLU A 18 -2.975 -2.511 -8.231 1.00 0.00 C ATOM 285 OE1 GLU A 18 -3.169 -1.311 -8.142 1.00 0.00 O ATOM 286 OE2 GLU A 18 -2.479 -3.052 -9.206 1.00 0.00 O ATOM 0 H GLU A 18 -1.539 -3.642 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.596 -1.585 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.934 -3.112 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.124 -1.677 -5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.644 -4.187 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.334 -3.878 -7.249 1.00 0.00 H new ATOM 293 N ARG A 19 -2.300 0.194 -4.518 1.00 0.00 N ATOM 294 CA ARG A 19 -2.430 1.211 -3.439 1.00 0.00 C ATOM 295 C ARG A 19 -3.800 1.885 -3.535 1.00 0.00 C ATOM 296 O ARG A 19 -4.427 1.893 -4.575 1.00 0.00 O ATOM 297 CB ARG A 19 -1.330 2.264 -3.596 1.00 0.00 C ATOM 298 CG ARG A 19 -1.541 3.379 -2.569 1.00 0.00 C ATOM 299 CD ARG A 19 -0.386 4.378 -2.656 1.00 0.00 C ATOM 300 NE ARG A 19 -0.520 5.388 -1.568 1.00 0.00 N ATOM 301 CZ ARG A 19 -1.240 6.460 -1.757 1.00 0.00 C ATOM 302 NH1 ARG A 19 -1.846 6.646 -2.898 1.00 0.00 N ATOM 303 NH2 ARG A 19 -1.358 7.345 -0.806 1.00 0.00 N ATOM 0 H ARG A 19 -2.298 0.567 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.332 0.725 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.351 1.806 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.348 2.676 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.488 3.885 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.597 2.958 -1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.567 3.857 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.390 4.872 -3.628 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.049 5.241 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.757 5.954 -3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.409 7.484 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.887 7.200 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.921 8.182 -0.955 1.00 0.00 H new ATOM 317 N GLU A 20 -4.270 2.450 -2.457 1.00 0.00 N ATOM 318 CA GLU A 20 -5.609 3.105 -2.484 1.00 0.00 C ATOM 319 C GLU A 20 -5.653 4.221 -1.437 1.00 0.00 C ATOM 320 O GLU A 20 -4.949 4.185 -0.448 1.00 0.00 O ATOM 321 CB GLU A 20 -6.691 2.070 -2.173 1.00 0.00 C ATOM 322 CG GLU A 20 -6.713 1.790 -0.668 1.00 0.00 C ATOM 323 CD GLU A 20 -7.756 2.687 0.002 1.00 0.00 C ATOM 324 OE1 GLU A 20 -8.933 2.418 -0.164 1.00 0.00 O ATOM 325 OE2 GLU A 20 -7.358 3.628 0.669 1.00 0.00 O ATOM 0 H GLU A 20 -3.786 2.487 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.786 3.528 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.664 2.436 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.496 1.149 -2.722 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.948 0.741 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.729 1.975 -0.238 1.00 0.00 H new ATOM 332 N GLU A 21 -6.478 5.210 -1.647 1.00 0.00 N ATOM 333 CA GLU A 21 -6.578 6.319 -0.657 1.00 0.00 C ATOM 334 C GLU A 21 -8.008 6.388 -0.116 1.00 0.00 C ATOM 335 O GLU A 21 -8.966 6.381 -0.864 1.00 0.00 O ATOM 336 CB GLU A 21 -6.226 7.644 -1.337 1.00 0.00 C ATOM 337 CG GLU A 21 -6.240 8.770 -0.301 1.00 0.00 C ATOM 338 CD GLU A 21 -5.808 10.079 -0.965 1.00 0.00 C ATOM 339 OE1 GLU A 21 -5.806 10.131 -2.183 1.00 0.00 O ATOM 340 OE2 GLU A 21 -5.487 11.008 -0.242 1.00 0.00 O ATOM 0 H GLU A 21 -7.087 5.298 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.885 6.138 0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.243 7.576 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.941 7.858 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.239 8.877 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.569 8.529 0.523 1.00 0.00 H new ATOM 347 N VAL A 22 -8.161 6.455 1.179 1.00 0.00 N ATOM 348 CA VAL A 22 -9.529 6.522 1.764 1.00 0.00 C ATOM 349 C VAL A 22 -9.602 7.675 2.769 1.00 0.00 C ATOM 350 O VAL A 22 -8.817 7.753 3.693 1.00 0.00 O ATOM 351 CB VAL A 22 -9.845 5.206 2.477 1.00 0.00 C ATOM 352 CG1 VAL A 22 -10.976 5.426 3.481 1.00 0.00 C ATOM 353 CG2 VAL A 22 -10.275 4.159 1.446 1.00 0.00 C ATOM 0 H VAL A 22 -7.398 6.466 1.856 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.254 6.688 0.967 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.957 4.857 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.200 4.488 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.671 6.171 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.865 5.776 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.500 3.221 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.163 4.510 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.468 4.000 0.730 1.00 0.00 H new ATOM 363 N PRO A 23 -10.543 8.558 2.584 1.00 0.00 N ATOM 364 CA PRO A 23 -10.736 9.732 3.481 1.00 0.00 C ATOM 365 C PRO A 23 -11.345 9.335 4.829 1.00 0.00 C ATOM 366 O PRO A 23 -12.411 8.754 4.893 1.00 0.00 O ATOM 367 CB PRO A 23 -11.700 10.627 2.702 1.00 0.00 C ATOM 368 CG PRO A 23 -12.451 9.707 1.796 1.00 0.00 C ATOM 369 CD PRO A 23 -11.529 8.534 1.492 1.00 0.00 C ATOM 0 HA PRO A 23 -9.791 10.218 3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.376 11.155 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.160 11.384 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.370 9.363 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.739 10.219 0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.077 7.592 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.049 8.646 0.520 1.00 0.00 H new ATOM 377 N ARG A 24 -10.678 9.643 5.906 1.00 0.00 N ATOM 378 CA ARG A 24 -11.217 9.277 7.247 1.00 0.00 C ATOM 379 C ARG A 24 -12.328 10.256 7.635 1.00 0.00 C ATOM 380 O ARG A 24 -12.401 11.358 7.132 1.00 0.00 O ATOM 381 CB ARG A 24 -10.095 9.342 8.284 1.00 0.00 C ATOM 382 CG ARG A 24 -10.079 8.048 9.100 1.00 0.00 C ATOM 383 CD ARG A 24 -11.365 7.945 9.923 1.00 0.00 C ATOM 384 NE ARG A 24 -12.403 7.229 9.131 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.398 5.925 9.077 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.483 5.248 9.717 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.308 5.296 8.384 1.00 0.00 N ATOM 0 H ARG A 24 -9.783 10.132 5.916 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.620 8.265 7.212 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.135 9.484 7.788 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.243 10.198 8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.990 7.188 8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.211 8.032 9.759 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.172 7.413 10.855 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.719 8.940 10.191 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.118 7.758 8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.772 5.738 10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.480 4.229 9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.024 5.824 7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.303 4.277 8.342 1.00 0.00 H new ATOM 401 N ARG A 25 -13.195 9.861 8.527 1.00 0.00 N ATOM 402 CA ARG A 25 -14.305 10.765 8.940 1.00 0.00 C ATOM 403 C ARG A 25 -14.570 10.598 10.437 1.00 0.00 C ATOM 404 O ARG A 25 -14.458 9.517 10.980 1.00 0.00 O ATOM 405 CB ARG A 25 -15.570 10.410 8.156 1.00 0.00 C ATOM 406 CG ARG A 25 -15.926 8.942 8.398 1.00 0.00 C ATOM 407 CD ARG A 25 -17.212 8.597 7.644 1.00 0.00 C ATOM 408 NE ARG A 25 -18.354 9.338 8.249 1.00 0.00 N ATOM 409 CZ ARG A 25 -19.549 9.222 7.739 1.00 0.00 C ATOM 410 NH1 ARG A 25 -19.745 8.457 6.698 1.00 0.00 N ATOM 411 NH2 ARG A 25 -20.551 9.872 8.268 1.00 0.00 N ATOM 0 H ARG A 25 -13.182 8.951 8.988 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.027 11.799 8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -16.395 11.051 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.413 10.586 7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.112 8.299 8.063 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -16.057 8.760 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.111 8.860 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.396 7.524 7.689 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.202 9.936 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.963 7.950 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.680 8.367 6.300 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.399 10.470 9.080 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -21.485 9.781 7.869 1.00 0.00 H new ATOM 425 N SER A 26 -14.919 11.661 11.110 1.00 0.00 N ATOM 426 CA SER A 26 -15.189 11.561 12.572 1.00 0.00 C ATOM 427 C SER A 26 -15.596 12.935 13.110 1.00 0.00 C ATOM 428 O SER A 26 -16.725 13.147 13.503 1.00 0.00 O ATOM 429 CB SER A 26 -13.927 11.085 13.292 1.00 0.00 C ATOM 430 OG SER A 26 -13.767 11.824 14.496 1.00 0.00 O ATOM 0 H SER A 26 -15.029 12.593 10.711 1.00 0.00 H new ATOM 0 HA SER A 26 -15.996 10.849 12.745 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.000 10.020 13.512 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.056 11.219 12.651 1.00 0.00 H new ATOM 0 HG SER A 26 -12.960 11.520 14.961 1.00 0.00 H new ATOM 436 N GLY A 27 -14.686 13.869 13.129 1.00 0.00 N ATOM 437 CA GLY A 27 -15.019 15.225 13.647 1.00 0.00 C ATOM 438 C GLY A 27 -13.771 16.108 13.612 1.00 0.00 C ATOM 439 O GLY A 27 -13.549 16.848 12.674 1.00 0.00 O ATOM 0 H GLY A 27 -13.725 13.751 12.808 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.810 15.672 13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.397 15.153 14.667 1.00 0.00 H new ATOM 443 N LEU A 28 -12.953 16.036 14.627 1.00 0.00 N ATOM 444 CA LEU A 28 -11.718 16.870 14.649 1.00 0.00 C ATOM 445 C LEU A 28 -10.814 16.472 13.481 1.00 0.00 C ATOM 446 O LEU A 28 -10.234 17.310 12.819 1.00 0.00 O ATOM 447 CB LEU A 28 -10.975 16.646 15.968 1.00 0.00 C ATOM 448 CG LEU A 28 -11.799 17.221 17.122 1.00 0.00 C ATOM 449 CD1 LEU A 28 -11.147 16.843 18.453 1.00 0.00 C ATOM 450 CD2 LEU A 28 -11.855 18.745 16.997 1.00 0.00 C ATOM 0 H LEU A 28 -13.087 15.436 15.441 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.988 17.922 14.558 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.804 15.581 16.125 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.996 17.124 15.932 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.810 16.815 17.085 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.734 17.253 19.275 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.105 15.757 18.542 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.136 17.249 18.491 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.442 19.156 17.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.844 19.151 17.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.319 19.015 16.049 1.00 0.00 H new ATOM 462 N SER A 29 -10.689 15.199 13.222 1.00 0.00 N ATOM 463 CA SER A 29 -9.834 14.749 12.087 1.00 0.00 C ATOM 464 C SER A 29 -10.718 14.407 10.887 1.00 0.00 C ATOM 465 O SER A 29 -10.385 13.558 10.082 1.00 0.00 O ATOM 466 CB SER A 29 -9.039 13.512 12.506 1.00 0.00 C ATOM 467 OG SER A 29 -9.899 12.615 13.196 1.00 0.00 O ATOM 0 H SER A 29 -11.142 14.451 13.747 1.00 0.00 H new ATOM 0 HA SER A 29 -9.144 15.547 11.813 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.613 13.024 11.629 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.205 13.800 13.146 1.00 0.00 H new ATOM 0 HG SER A 29 -9.394 11.819 13.465 1.00 0.00 H new ATOM 473 N ALA A 30 -11.840 15.060 10.760 1.00 0.00 N ATOM 474 CA ALA A 30 -12.747 14.767 9.614 1.00 0.00 C ATOM 475 C ALA A 30 -12.133 15.319 8.325 1.00 0.00 C ATOM 476 O ALA A 30 -12.048 16.515 8.130 1.00 0.00 O ATOM 477 CB ALA A 30 -14.105 15.427 9.855 1.00 0.00 C ATOM 0 H ALA A 30 -12.168 15.784 11.400 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.879 13.689 9.522 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.768 15.212 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.542 15.035 10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.974 16.505 9.947 1.00 0.00 H new ATOM 483 N GLY A 31 -11.704 14.457 7.444 1.00 0.00 N ATOM 484 CA GLY A 31 -11.099 14.933 6.169 1.00 0.00 C ATOM 485 C GLY A 31 -9.689 14.356 6.024 1.00 0.00 C ATOM 486 O GLY A 31 -9.046 14.512 5.006 1.00 0.00 O ATOM 0 H GLY A 31 -11.747 13.444 7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.717 14.627 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.060 16.022 6.157 1.00 0.00 H new ATOM 490 N HIS A 32 -9.205 13.690 7.036 1.00 0.00 N ATOM 491 CA HIS A 32 -7.843 13.091 6.951 1.00 0.00 C ATOM 492 C HIS A 32 -7.805 12.074 5.807 1.00 0.00 C ATOM 493 O HIS A 32 -8.808 11.486 5.453 1.00 0.00 O ATOM 494 CB HIS A 32 -7.510 12.389 8.268 1.00 0.00 C ATOM 495 CG HIS A 32 -7.189 13.419 9.316 1.00 0.00 C ATOM 496 ND1 HIS A 32 -6.288 13.173 10.344 1.00 0.00 N ATOM 497 CD2 HIS A 32 -7.638 14.702 9.511 1.00 0.00 C ATOM 498 CE1 HIS A 32 -6.224 14.283 11.104 1.00 0.00 C ATOM 499 NE2 HIS A 32 -7.027 15.241 10.638 1.00 0.00 N ATOM 0 H HIS A 32 -9.693 13.535 7.918 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.111 13.877 6.764 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.353 11.777 8.590 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.662 11.717 8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.355 15.213 8.886 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.601 14.385 11.980 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.164 16.174 11.027 1.00 0.00 H new ATOM 508 N ARG A 33 -6.656 11.863 5.226 1.00 0.00 N ATOM 509 CA ARG A 33 -6.559 10.895 4.098 1.00 0.00 C ATOM 510 C ARG A 33 -5.734 9.684 4.534 1.00 0.00 C ATOM 511 O ARG A 33 -4.534 9.768 4.711 1.00 0.00 O ATOM 512 CB ARG A 33 -5.880 11.572 2.904 1.00 0.00 C ATOM 513 CG ARG A 33 -6.493 12.955 2.684 1.00 0.00 C ATOM 514 CD ARG A 33 -7.862 12.807 2.017 1.00 0.00 C ATOM 515 NE ARG A 33 -7.686 12.294 0.629 1.00 0.00 N ATOM 516 CZ ARG A 33 -7.471 13.129 -0.351 1.00 0.00 C ATOM 517 NH1 ARG A 33 -7.411 14.410 -0.117 1.00 0.00 N ATOM 518 NH2 ARG A 33 -7.315 12.679 -1.567 1.00 0.00 N ATOM 0 H ARG A 33 -5.781 12.319 5.484 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.559 10.568 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.809 11.662 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.002 10.962 2.009 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.595 13.475 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.836 13.560 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.487 12.123 2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.375 13.768 1.998 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.733 11.292 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.532 14.761 0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.243 15.061 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.361 11.677 -1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.147 13.330 -2.334 1.00 0.00 H new ATOM 532 N ASP A 34 -6.366 8.556 4.711 1.00 0.00 N ATOM 533 CA ASP A 34 -5.617 7.339 5.132 1.00 0.00 C ATOM 534 C ASP A 34 -5.230 6.527 3.894 1.00 0.00 C ATOM 535 O ASP A 34 -5.989 6.409 2.954 1.00 0.00 O ATOM 536 CB ASP A 34 -6.500 6.487 6.046 1.00 0.00 C ATOM 537 CG ASP A 34 -6.695 7.205 7.382 1.00 0.00 C ATOM 538 OD1 ASP A 34 -5.946 8.131 7.649 1.00 0.00 O ATOM 539 OD2 ASP A 34 -7.590 6.818 8.116 1.00 0.00 O ATOM 0 H ASP A 34 -7.369 8.425 4.582 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.716 7.634 5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.466 6.308 5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.040 5.513 6.209 1.00 0.00 H new ATOM 544 N VAL A 35 -4.052 5.964 3.889 1.00 0.00 N ATOM 545 CA VAL A 35 -3.609 5.176 2.705 1.00 0.00 C ATOM 546 C VAL A 35 -3.626 3.686 3.051 1.00 0.00 C ATOM 547 O VAL A 35 -3.125 3.271 4.077 1.00 0.00 O ATOM 548 CB VAL A 35 -2.191 5.593 2.316 1.00 0.00 C ATOM 549 CG1 VAL A 35 -1.758 4.830 1.061 1.00 0.00 C ATOM 550 CG2 VAL A 35 -2.161 7.096 2.032 1.00 0.00 C ATOM 0 H VAL A 35 -3.378 6.016 4.653 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.284 5.364 1.870 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.509 5.363 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.747 5.128 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.778 3.759 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.440 5.059 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.150 7.394 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.844 7.325 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.468 7.641 2.925 1.00 0.00 H new ATOM 560 N PHE A 36 -4.199 2.876 2.202 1.00 0.00 N ATOM 561 CA PHE A 36 -4.220 1.410 2.468 1.00 0.00 C ATOM 562 C PHE A 36 -3.557 0.671 1.304 1.00 0.00 C ATOM 563 O PHE A 36 -3.657 1.075 0.163 1.00 0.00 O ATOM 564 CB PHE A 36 -5.669 0.939 2.613 1.00 0.00 C ATOM 565 CG PHE A 36 -6.214 1.396 3.946 1.00 0.00 C ATOM 566 CD1 PHE A 36 -6.758 2.679 4.077 1.00 0.00 C ATOM 567 CD2 PHE A 36 -6.177 0.535 5.049 1.00 0.00 C ATOM 568 CE1 PHE A 36 -7.265 3.102 5.311 1.00 0.00 C ATOM 569 CE2 PHE A 36 -6.684 0.959 6.285 1.00 0.00 C ATOM 570 CZ PHE A 36 -7.227 2.241 6.415 1.00 0.00 C ATOM 0 H PHE A 36 -4.653 3.167 1.336 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.676 1.200 3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.277 1.341 1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.719 -0.147 2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.787 3.343 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.758 -0.455 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.685 4.092 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.655 0.296 7.137 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.617 2.568 7.368 1.00 0.00 H new ATOM 580 N TYR A 37 -2.882 -0.411 1.584 1.00 0.00 N ATOM 581 CA TYR A 37 -2.201 -1.164 0.494 1.00 0.00 C ATOM 582 C TYR A 37 -2.776 -2.580 0.419 1.00 0.00 C ATOM 583 O TYR A 37 -3.235 -3.128 1.403 1.00 0.00 O ATOM 584 CB TYR A 37 -0.701 -1.237 0.786 1.00 0.00 C ATOM 585 CG TYR A 37 -0.071 0.109 0.521 1.00 0.00 C ATOM 586 CD1 TYR A 37 -0.134 1.114 1.493 1.00 0.00 C ATOM 587 CD2 TYR A 37 0.577 0.352 -0.695 1.00 0.00 C ATOM 588 CE1 TYR A 37 0.449 2.363 1.249 1.00 0.00 C ATOM 589 CE2 TYR A 37 1.161 1.600 -0.940 1.00 0.00 C ATOM 590 CZ TYR A 37 1.098 2.606 0.031 1.00 0.00 C ATOM 591 OH TYR A 37 1.672 3.836 -0.211 1.00 0.00 O ATOM 0 H TYR A 37 -2.773 -0.805 2.519 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.361 -0.655 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.535 -1.530 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.235 -1.998 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.633 0.926 2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.627 -0.424 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.399 3.139 1.999 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.661 1.787 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 37 1.535 4.419 0.565 1.00 0.00 H new ATOM 601 N TYR A 38 -2.757 -3.178 -0.740 1.00 0.00 N ATOM 602 CA TYR A 38 -3.295 -4.561 -0.876 1.00 0.00 C ATOM 603 C TYR A 38 -2.213 -5.476 -1.454 1.00 0.00 C ATOM 604 O TYR A 38 -1.476 -5.097 -2.341 1.00 0.00 O ATOM 605 CB TYR A 38 -4.505 -4.547 -1.810 1.00 0.00 C ATOM 606 CG TYR A 38 -5.567 -3.633 -1.246 1.00 0.00 C ATOM 607 CD1 TYR A 38 -6.110 -3.887 0.018 1.00 0.00 C ATOM 608 CD2 TYR A 38 -6.006 -2.529 -1.989 1.00 0.00 C ATOM 609 CE1 TYR A 38 -7.093 -3.039 0.542 1.00 0.00 C ATOM 610 CE2 TYR A 38 -6.990 -1.681 -1.465 1.00 0.00 C ATOM 611 CZ TYR A 38 -7.533 -1.935 -0.200 1.00 0.00 C ATOM 612 OH TYR A 38 -8.502 -1.099 0.316 1.00 0.00 O ATOM 0 H TYR A 38 -2.392 -2.768 -1.600 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.597 -4.931 0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.208 -4.208 -2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.902 -5.556 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.771 -4.738 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.586 -2.332 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.512 -3.236 1.518 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.330 -0.831 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.438 -1.089 1.294 1.00 0.00 H new ATOM 622 N SER A 39 -2.115 -6.679 -0.958 1.00 0.00 N ATOM 623 CA SER A 39 -1.093 -7.623 -1.492 1.00 0.00 C ATOM 624 C SER A 39 -1.730 -8.518 -2.557 1.00 0.00 C ATOM 625 O SER A 39 -2.913 -8.435 -2.822 1.00 0.00 O ATOM 626 CB SER A 39 -0.557 -8.490 -0.352 1.00 0.00 C ATOM 627 OG SER A 39 -1.023 -9.822 -0.518 1.00 0.00 O ATOM 0 H SER A 39 -2.698 -7.049 -0.207 1.00 0.00 H new ATOM 0 HA SER A 39 -0.274 -7.058 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.533 -8.471 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.887 -8.094 0.608 1.00 0.00 H new ATOM 0 HG SER A 39 -1.955 -9.882 -0.222 1.00 0.00 H new ATOM 633 N PRO A 40 -0.944 -9.366 -3.161 1.00 0.00 N ATOM 634 CA PRO A 40 -1.424 -10.302 -4.218 1.00 0.00 C ATOM 635 C PRO A 40 -2.609 -11.150 -3.743 1.00 0.00 C ATOM 636 O PRO A 40 -3.446 -11.555 -4.525 1.00 0.00 O ATOM 637 CB PRO A 40 -0.211 -11.190 -4.499 1.00 0.00 C ATOM 638 CG PRO A 40 0.975 -10.395 -4.060 1.00 0.00 C ATOM 639 CD PRO A 40 0.495 -9.522 -2.902 1.00 0.00 C ATOM 0 HA PRO A 40 -1.784 -9.769 -5.098 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.278 -12.130 -3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.145 -11.441 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.787 -11.049 -3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.358 -9.783 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.680 -9.997 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.006 -8.560 -2.887 1.00 0.00 H new ATOM 647 N SER A 41 -2.685 -11.422 -2.469 1.00 0.00 N ATOM 648 CA SER A 41 -3.814 -12.242 -1.948 1.00 0.00 C ATOM 649 C SER A 41 -4.970 -11.324 -1.549 1.00 0.00 C ATOM 650 O SER A 41 -6.015 -11.775 -1.122 1.00 0.00 O ATOM 651 CB SER A 41 -3.347 -13.034 -0.726 1.00 0.00 C ATOM 652 OG SER A 41 -4.360 -13.957 -0.350 1.00 0.00 O ATOM 0 H SER A 41 -2.014 -11.112 -1.767 1.00 0.00 H new ATOM 0 HA SER A 41 -4.149 -12.932 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.422 -13.564 -0.953 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.131 -12.357 0.100 1.00 0.00 H new ATOM 0 HG SER A 41 -5.238 -13.597 -0.596 1.00 0.00 H new ATOM 658 N GLY A 42 -4.794 -10.039 -1.685 1.00 0.00 N ATOM 659 CA GLY A 42 -5.883 -9.092 -1.310 1.00 0.00 C ATOM 660 C GLY A 42 -5.787 -8.765 0.180 1.00 0.00 C ATOM 661 O GLY A 42 -6.751 -8.362 0.801 1.00 0.00 O ATOM 0 H GLY A 42 -3.943 -9.603 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.803 -8.178 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.855 -9.532 -1.534 1.00 0.00 H new ATOM 665 N LYS A 43 -4.631 -8.933 0.761 1.00 0.00 N ATOM 666 CA LYS A 43 -4.476 -8.637 2.214 1.00 0.00 C ATOM 667 C LYS A 43 -4.428 -7.123 2.423 1.00 0.00 C ATOM 668 O LYS A 43 -3.647 -6.426 1.805 1.00 0.00 O ATOM 669 CB LYS A 43 -3.179 -9.265 2.727 1.00 0.00 C ATOM 670 CG LYS A 43 -2.997 -8.927 4.208 1.00 0.00 C ATOM 671 CD LYS A 43 -1.661 -9.484 4.700 1.00 0.00 C ATOM 672 CE LYS A 43 -1.253 -8.771 5.990 1.00 0.00 C ATOM 673 NZ LYS A 43 0.074 -9.278 6.441 1.00 0.00 N ATOM 0 H LYS A 43 -3.787 -9.262 0.293 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.322 -9.053 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.208 -10.346 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.331 -8.894 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.027 -7.847 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.816 -9.349 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.745 -10.556 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.894 -9.345 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.205 -7.695 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.001 -8.941 6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.693 -8.474 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.050 -9.873 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.507 -9.841 5.681 1.00 0.00 H new ATOM 687 N LYS A 44 -5.257 -6.607 3.289 1.00 0.00 N ATOM 688 CA LYS A 44 -5.248 -5.140 3.546 1.00 0.00 C ATOM 689 C LYS A 44 -4.327 -4.835 4.729 1.00 0.00 C ATOM 690 O LYS A 44 -4.481 -5.377 5.805 1.00 0.00 O ATOM 691 CB LYS A 44 -6.668 -4.671 3.872 1.00 0.00 C ATOM 692 CG LYS A 44 -7.127 -5.306 5.185 1.00 0.00 C ATOM 693 CD LYS A 44 -8.613 -5.012 5.404 1.00 0.00 C ATOM 694 CE LYS A 44 -8.791 -3.541 5.781 1.00 0.00 C ATOM 695 NZ LYS A 44 -10.162 -3.330 6.327 1.00 0.00 N ATOM 0 H LYS A 44 -5.940 -7.138 3.829 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.887 -4.618 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.694 -3.584 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.347 -4.947 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.959 -6.383 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.541 -4.912 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.177 -5.237 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.009 -5.651 6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.045 -3.251 6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.635 -2.909 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.283 -2.329 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.866 -3.591 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.294 -3.922 7.172 1.00 0.00 H new ATOM 709 N PHE A 45 -3.367 -3.971 4.538 1.00 0.00 N ATOM 710 CA PHE A 45 -2.440 -3.629 5.653 1.00 0.00 C ATOM 711 C PHE A 45 -2.111 -2.134 5.602 1.00 0.00 C ATOM 712 O PHE A 45 -2.103 -1.527 4.550 1.00 0.00 O ATOM 713 CB PHE A 45 -1.151 -4.439 5.513 1.00 0.00 C ATOM 714 CG PHE A 45 -0.726 -4.463 4.065 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.358 -5.328 3.164 1.00 0.00 C ATOM 716 CD2 PHE A 45 0.301 -3.622 3.622 1.00 0.00 C ATOM 717 CE1 PHE A 45 -0.964 -5.351 1.820 1.00 0.00 C ATOM 718 CE2 PHE A 45 0.695 -3.643 2.279 1.00 0.00 C ATOM 719 CZ PHE A 45 0.062 -4.507 1.377 1.00 0.00 C ATOM 0 H PHE A 45 -3.185 -3.488 3.658 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.915 -3.865 6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.364 -4.000 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.307 -5.456 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.150 -5.978 3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.790 -2.956 4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.451 -6.019 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.487 -2.993 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.365 -4.522 0.340 1.00 0.00 H new ATOM 729 N ARG A 46 -1.839 -1.538 6.729 1.00 0.00 N ATOM 730 CA ARG A 46 -1.505 -0.086 6.742 1.00 0.00 C ATOM 731 C ARG A 46 -0.299 0.152 7.654 1.00 0.00 C ATOM 732 O ARG A 46 -0.407 0.776 8.691 1.00 0.00 O ATOM 733 CB ARG A 46 -2.704 0.709 7.265 1.00 0.00 C ATOM 734 CG ARG A 46 -3.759 -0.256 7.810 1.00 0.00 C ATOM 735 CD ARG A 46 -3.180 -1.026 9.000 1.00 0.00 C ATOM 736 NE ARG A 46 -4.084 -0.875 10.175 1.00 0.00 N ATOM 737 CZ ARG A 46 -3.969 0.163 10.956 1.00 0.00 C ATOM 738 NH1 ARG A 46 -3.062 1.069 10.710 1.00 0.00 N ATOM 739 NH2 ARG A 46 -4.759 0.295 11.986 1.00 0.00 N ATOM 0 H ARG A 46 -1.833 -1.993 7.642 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.266 0.241 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.384 1.395 8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.129 1.315 6.465 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.647 0.295 8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.069 -0.951 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.069 -2.080 8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.186 -0.650 9.242 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.792 -1.583 10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.442 0.965 9.906 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.973 1.881 11.321 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.466 -0.414 12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.669 1.107 12.597 1.00 0.00 H new ATOM 753 N SER A 47 0.849 -0.340 7.275 1.00 0.00 N ATOM 754 CA SER A 47 2.061 -0.133 8.115 1.00 0.00 C ATOM 755 C SER A 47 3.313 -0.274 7.245 1.00 0.00 C ATOM 756 O SER A 47 3.586 -1.323 6.699 1.00 0.00 O ATOM 757 CB SER A 47 2.096 -1.177 9.229 1.00 0.00 C ATOM 758 OG SER A 47 0.799 -1.296 9.802 1.00 0.00 O ATOM 0 H SER A 47 0.999 -0.876 6.420 1.00 0.00 H new ATOM 0 HA SER A 47 2.032 0.864 8.554 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.420 -2.139 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.818 -0.887 9.992 1.00 0.00 H new ATOM 0 HG SER A 47 0.352 -0.424 9.785 1.00 0.00 H new ATOM 764 N LYS A 48 4.077 0.777 7.114 1.00 0.00 N ATOM 765 CA LYS A 48 5.296 0.708 6.261 1.00 0.00 C ATOM 766 C LYS A 48 6.166 -0.469 6.706 1.00 0.00 C ATOM 767 O LYS A 48 6.629 -1.249 5.899 1.00 0.00 O ATOM 768 CB LYS A 48 6.090 2.009 6.401 1.00 0.00 C ATOM 769 CG LYS A 48 6.288 2.639 5.022 1.00 0.00 C ATOM 770 CD LYS A 48 7.326 1.834 4.235 1.00 0.00 C ATOM 771 CE LYS A 48 8.693 1.977 4.903 1.00 0.00 C ATOM 772 NZ LYS A 48 8.940 0.804 5.790 1.00 0.00 N ATOM 0 H LYS A 48 3.909 1.679 7.560 1.00 0.00 H new ATOM 0 HA LYS A 48 5.003 0.570 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.561 2.701 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.057 1.809 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.342 2.659 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.618 3.673 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.036 0.784 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.373 2.189 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.474 2.044 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.731 2.899 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.937 0.518 5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.723 1.061 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.332 0.013 5.497 1.00 0.00 H new ATOM 786 N PRO A 49 6.379 -0.592 7.988 1.00 0.00 N ATOM 787 CA PRO A 49 7.196 -1.696 8.569 1.00 0.00 C ATOM 788 C PRO A 49 6.698 -3.077 8.131 1.00 0.00 C ATOM 789 O PRO A 49 7.475 -3.972 7.865 1.00 0.00 O ATOM 790 CB PRO A 49 7.027 -1.521 10.079 1.00 0.00 C ATOM 791 CG PRO A 49 6.668 -0.085 10.275 1.00 0.00 C ATOM 792 CD PRO A 49 5.864 0.315 9.025 1.00 0.00 C ATOM 0 HA PRO A 49 8.234 -1.647 8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.247 -2.177 10.465 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.946 -1.772 10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.078 0.051 11.181 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.561 0.531 10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.793 0.185 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.024 1.360 8.761 1.00 0.00 H new ATOM 800 N GLN A 50 5.408 -3.255 8.056 1.00 0.00 N ATOM 801 CA GLN A 50 4.861 -4.573 7.622 1.00 0.00 C ATOM 802 C GLN A 50 5.330 -4.875 6.197 1.00 0.00 C ATOM 803 O GLN A 50 5.605 -6.006 5.850 1.00 0.00 O ATOM 804 CB GLN A 50 3.333 -4.528 7.658 1.00 0.00 C ATOM 805 CG GLN A 50 2.771 -5.869 7.181 1.00 0.00 C ATOM 806 CD GLN A 50 1.257 -5.895 7.397 1.00 0.00 C ATOM 807 OE1 GLN A 50 0.581 -6.789 6.932 1.00 0.00 O ATOM 808 NE2 GLN A 50 0.693 -4.943 8.089 1.00 0.00 N ATOM 0 H GLN A 50 4.709 -2.546 8.276 1.00 0.00 H new ATOM 0 HA GLN A 50 5.217 -5.354 8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.989 -4.317 8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.967 -3.722 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.001 -6.017 6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.241 -6.687 7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.261 -4.191 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.316 -4.951 8.239 1.00 0.00 H new ATOM 817 N LEU A 51 5.422 -3.871 5.368 1.00 0.00 N ATOM 818 CA LEU A 51 5.875 -4.101 3.967 1.00 0.00 C ATOM 819 C LEU A 51 7.338 -4.549 3.972 1.00 0.00 C ATOM 820 O LEU A 51 7.724 -5.450 3.253 1.00 0.00 O ATOM 821 CB LEU A 51 5.742 -2.803 3.169 1.00 0.00 C ATOM 822 CG LEU A 51 4.310 -2.669 2.647 1.00 0.00 C ATOM 823 CD1 LEU A 51 3.343 -2.572 3.828 1.00 0.00 C ATOM 824 CD2 LEU A 51 4.197 -1.404 1.792 1.00 0.00 C ATOM 0 H LEU A 51 5.203 -2.902 5.600 1.00 0.00 H new ATOM 0 HA LEU A 51 5.259 -4.874 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.992 -1.949 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.445 -2.802 2.336 1.00 0.00 H new ATOM 0 HG LEU A 51 4.060 -3.542 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.323 -2.477 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.424 -3.471 4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.592 -1.699 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.177 -1.307 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.447 -0.532 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.886 -1.471 0.950 1.00 0.00 H new ATOM 836 N ALA A 52 8.157 -3.928 4.775 1.00 0.00 N ATOM 837 CA ALA A 52 9.595 -4.312 4.818 1.00 0.00 C ATOM 838 C ALA A 52 9.729 -5.724 5.393 1.00 0.00 C ATOM 839 O ALA A 52 10.383 -6.577 4.826 1.00 0.00 O ATOM 840 CB ALA A 52 10.361 -3.326 5.703 1.00 0.00 C ATOM 0 H ALA A 52 7.892 -3.170 5.404 1.00 0.00 H new ATOM 0 HA ALA A 52 10.007 -4.290 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.414 -3.607 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.266 -2.320 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.950 -3.347 6.712 1.00 0.00 H new ATOM 846 N ARG A 53 9.115 -5.978 6.517 1.00 0.00 N ATOM 847 CA ARG A 53 9.219 -7.330 7.134 1.00 0.00 C ATOM 848 C ARG A 53 8.661 -8.377 6.169 1.00 0.00 C ATOM 849 O ARG A 53 9.246 -9.422 5.964 1.00 0.00 O ATOM 850 CB ARG A 53 8.418 -7.359 8.438 1.00 0.00 C ATOM 851 CG ARG A 53 9.148 -6.539 9.504 1.00 0.00 C ATOM 852 CD ARG A 53 8.469 -6.745 10.859 1.00 0.00 C ATOM 853 NE ARG A 53 7.077 -6.217 10.803 1.00 0.00 N ATOM 854 CZ ARG A 53 6.847 -4.955 11.043 1.00 0.00 C ATOM 855 NH1 ARG A 53 7.836 -4.155 11.331 1.00 0.00 N ATOM 856 NH2 ARG A 53 5.626 -4.493 10.993 1.00 0.00 N ATOM 0 H ARG A 53 8.546 -5.307 7.034 1.00 0.00 H new ATOM 0 HA ARG A 53 10.265 -7.553 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.420 -6.954 8.273 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.293 -8.387 8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.193 -6.843 9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.137 -5.482 9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.457 -7.805 11.114 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.032 -6.235 11.641 1.00 0.00 H new ATOM 0 HE ARG A 53 6.303 -6.842 10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.789 -4.516 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.656 -3.169 11.519 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.853 -5.119 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.446 -3.507 11.181 1.00 0.00 H new ATOM 870 N TYR A 54 7.532 -8.106 5.573 1.00 0.00 N ATOM 871 CA TYR A 54 6.937 -9.087 4.623 1.00 0.00 C ATOM 872 C TYR A 54 7.845 -9.228 3.401 1.00 0.00 C ATOM 873 O TYR A 54 8.264 -10.312 3.049 1.00 0.00 O ATOM 874 CB TYR A 54 5.557 -8.596 4.181 1.00 0.00 C ATOM 875 CG TYR A 54 4.884 -9.664 3.351 1.00 0.00 C ATOM 876 CD1 TYR A 54 4.236 -10.734 3.980 1.00 0.00 C ATOM 877 CD2 TYR A 54 4.910 -9.584 1.954 1.00 0.00 C ATOM 878 CE1 TYR A 54 3.613 -11.724 3.210 1.00 0.00 C ATOM 879 CE2 TYR A 54 4.287 -10.574 1.185 1.00 0.00 C ATOM 880 CZ TYR A 54 3.637 -11.644 1.813 1.00 0.00 C ATOM 881 OH TYR A 54 3.024 -12.619 1.054 1.00 0.00 O ATOM 0 H TYR A 54 6.996 -7.248 5.703 1.00 0.00 H new ATOM 0 HA TYR A 54 6.837 -10.055 5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.947 -8.360 5.053 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.654 -7.678 3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.217 -10.796 5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 54 5.411 -8.759 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.114 -12.550 3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.308 -10.513 0.107 1.00 0.00 H new ATOM 0 HH TYR A 54 3.134 -12.410 0.103 1.00 0.00 H new ATOM 891 N LEU A 55 8.150 -8.141 2.748 1.00 0.00 N ATOM 892 CA LEU A 55 9.028 -8.214 1.547 1.00 0.00 C ATOM 893 C LEU A 55 10.397 -8.766 1.948 1.00 0.00 C ATOM 894 O LEU A 55 10.976 -9.583 1.259 1.00 0.00 O ATOM 895 CB LEU A 55 9.197 -6.814 0.952 1.00 0.00 C ATOM 896 CG LEU A 55 7.861 -6.334 0.384 1.00 0.00 C ATOM 897 CD1 LEU A 55 7.995 -4.884 -0.082 1.00 0.00 C ATOM 898 CD2 LEU A 55 7.468 -7.217 -0.803 1.00 0.00 C ATOM 0 H LEU A 55 7.829 -7.205 2.994 1.00 0.00 H new ATOM 0 HA LEU A 55 8.574 -8.872 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.548 -6.122 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.953 -6.830 0.167 1.00 0.00 H new ATOM 0 HG LEU A 55 7.094 -6.397 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.042 -4.542 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.277 -4.255 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.761 -4.819 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.516 -6.877 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.236 -7.153 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.372 -8.251 -0.471 1.00 0.00 H new ATOM 910 N GLY A 56 10.921 -8.329 3.060 1.00 0.00 N ATOM 911 CA GLY A 56 12.249 -8.834 3.508 1.00 0.00 C ATOM 912 C GLY A 56 13.348 -7.888 3.020 1.00 0.00 C ATOM 913 O GLY A 56 13.153 -6.691 2.928 1.00 0.00 O ATOM 0 H GLY A 56 10.486 -7.644 3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.274 -8.907 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.419 -9.837 3.117 1.00 0.00 H new ATOM 917 N GLY A 57 14.500 -8.412 2.707 1.00 0.00 N ATOM 918 CA GLY A 57 15.608 -7.540 2.220 1.00 0.00 C ATOM 919 C GLY A 57 15.662 -7.586 0.692 1.00 0.00 C ATOM 920 O GLY A 57 16.700 -7.393 0.092 1.00 0.00 O ATOM 0 H GLY A 57 14.723 -9.405 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.454 -6.515 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.558 -7.874 2.638 1.00 0.00 H new ATOM 924 N SER A 58 14.551 -7.840 0.058 1.00 0.00 N ATOM 925 CA SER A 58 14.541 -7.899 -1.432 1.00 0.00 C ATOM 926 C SER A 58 14.260 -6.505 -1.996 1.00 0.00 C ATOM 927 O SER A 58 14.643 -6.185 -3.104 1.00 0.00 O ATOM 928 CB SER A 58 13.450 -8.865 -1.896 1.00 0.00 C ATOM 929 OG SER A 58 13.905 -10.201 -1.732 1.00 0.00 O ATOM 0 H SER A 58 13.650 -8.009 0.506 1.00 0.00 H new ATOM 0 HA SER A 58 15.511 -8.247 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.538 -8.706 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.203 -8.678 -2.941 1.00 0.00 H new ATOM 0 HG SER A 58 13.207 -10.823 -2.027 1.00 0.00 H new ATOM 935 N MET A 59 13.594 -5.672 -1.242 1.00 0.00 N ATOM 936 CA MET A 59 13.297 -4.298 -1.735 1.00 0.00 C ATOM 937 C MET A 59 13.384 -3.309 -0.569 1.00 0.00 C ATOM 938 O MET A 59 12.865 -3.550 0.502 1.00 0.00 O ATOM 939 CB MET A 59 11.887 -4.263 -2.329 1.00 0.00 C ATOM 940 CG MET A 59 11.856 -5.085 -3.618 1.00 0.00 C ATOM 941 SD MET A 59 10.168 -5.118 -4.272 1.00 0.00 S ATOM 942 CE MET A 59 10.048 -3.359 -4.680 1.00 0.00 C ATOM 0 H MET A 59 13.244 -5.884 -0.308 1.00 0.00 H new ATOM 0 HA MET A 59 14.021 -4.022 -2.502 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.169 -4.663 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 59 11.593 -3.234 -2.534 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.534 -4.653 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.202 -6.100 -3.423 1.00 0.00 H new ATOM 0 HE1 MET A 59 9.325 -3.220 -5.484 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.724 -2.803 -3.800 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.023 -2.993 -5.002 1.00 0.00 H new ATOM 952 N ASP A 60 14.036 -2.197 -0.771 1.00 0.00 N ATOM 953 CA ASP A 60 14.142 -1.187 0.320 1.00 0.00 C ATOM 954 C ASP A 60 13.084 -0.103 0.115 1.00 0.00 C ATOM 955 O ASP A 60 13.102 0.620 -0.862 1.00 0.00 O ATOM 956 CB ASP A 60 15.534 -0.554 0.294 1.00 0.00 C ATOM 957 CG ASP A 60 16.572 -1.583 0.746 1.00 0.00 C ATOM 958 OD1 ASP A 60 16.172 -2.594 1.302 1.00 0.00 O ATOM 959 OD2 ASP A 60 17.748 -1.345 0.529 1.00 0.00 O ATOM 0 H ASP A 60 14.500 -1.944 -1.644 1.00 0.00 H new ATOM 0 HA ASP A 60 13.982 -1.673 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 60 15.767 -0.204 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.561 0.317 0.949 1.00 0.00 H new ATOM 964 N LEU A 61 12.160 0.020 1.028 1.00 0.00 N ATOM 965 CA LEU A 61 11.096 1.051 0.880 1.00 0.00 C ATOM 966 C LEU A 61 11.492 2.308 1.658 1.00 0.00 C ATOM 967 O LEU A 61 10.752 3.270 1.721 1.00 0.00 O ATOM 968 CB LEU A 61 9.776 0.506 1.429 1.00 0.00 C ATOM 969 CG LEU A 61 9.284 -0.636 0.540 1.00 0.00 C ATOM 970 CD1 LEU A 61 8.047 -1.278 1.169 1.00 0.00 C ATOM 971 CD2 LEU A 61 8.925 -0.086 -0.842 1.00 0.00 C ATOM 0 H LEU A 61 12.096 -0.550 1.871 1.00 0.00 H new ATOM 0 HA LEU A 61 10.975 1.299 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.914 0.152 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.030 1.300 1.465 1.00 0.00 H new ATOM 0 HG LEU A 61 10.071 -1.384 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.697 -2.092 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.301 -1.669 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.260 -0.531 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.574 -0.899 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.139 0.662 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.806 0.371 -1.292 1.00 0.00 H new ATOM 983 N SER A 62 12.656 2.309 2.249 1.00 0.00 N ATOM 984 CA SER A 62 13.100 3.508 3.015 1.00 0.00 C ATOM 985 C SER A 62 12.939 4.757 2.147 1.00 0.00 C ATOM 986 O SER A 62 12.549 5.806 2.619 1.00 0.00 O ATOM 987 CB SER A 62 14.570 3.346 3.405 1.00 0.00 C ATOM 988 OG SER A 62 14.703 2.237 4.285 1.00 0.00 O ATOM 0 H SER A 62 13.318 1.533 2.235 1.00 0.00 H new ATOM 0 HA SER A 62 12.493 3.610 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.180 3.194 2.514 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.932 4.254 3.888 1.00 0.00 H new ATOM 0 HG SER A 62 15.644 2.129 4.536 1.00 0.00 H new ATOM 994 N THR A 63 13.235 4.653 0.880 1.00 0.00 N ATOM 995 CA THR A 63 13.082 5.830 -0.019 1.00 0.00 C ATOM 996 C THR A 63 11.713 5.778 -0.701 1.00 0.00 C ATOM 997 O THR A 63 11.578 6.088 -1.868 1.00 0.00 O ATOM 998 CB THR A 63 14.183 5.807 -1.082 1.00 0.00 C ATOM 999 OG1 THR A 63 13.950 4.729 -1.978 1.00 0.00 O ATOM 1000 CG2 THR A 63 15.544 5.627 -0.408 1.00 0.00 C ATOM 0 H THR A 63 13.576 3.804 0.430 1.00 0.00 H new ATOM 0 HA THR A 63 13.161 6.746 0.566 1.00 0.00 H new ATOM 0 HB THR A 63 14.176 6.747 -1.633 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.653 4.713 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 63 16.326 5.611 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.722 6.454 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.555 4.687 0.145 1.00 0.00 H new ATOM 1008 N PHE A 64 10.696 5.387 0.018 1.00 0.00 N ATOM 1009 CA PHE A 64 9.338 5.315 -0.590 1.00 0.00 C ATOM 1010 C PHE A 64 8.358 6.131 0.255 1.00 0.00 C ATOM 1011 O PHE A 64 8.232 5.929 1.447 1.00 0.00 O ATOM 1012 CB PHE A 64 8.877 3.857 -0.640 1.00 0.00 C ATOM 1013 CG PHE A 64 7.456 3.795 -1.146 1.00 0.00 C ATOM 1014 CD1 PHE A 64 7.186 3.995 -2.505 1.00 0.00 C ATOM 1015 CD2 PHE A 64 6.406 3.538 -0.255 1.00 0.00 C ATOM 1016 CE1 PHE A 64 5.868 3.937 -2.974 1.00 0.00 C ATOM 1017 CE2 PHE A 64 5.088 3.481 -0.724 1.00 0.00 C ATOM 1018 CZ PHE A 64 4.820 3.680 -2.083 1.00 0.00 C ATOM 0 H PHE A 64 10.747 5.115 1.000 1.00 0.00 H new ATOM 0 HA PHE A 64 9.371 5.720 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.532 3.280 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.941 3.410 0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.995 4.194 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.613 3.384 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.660 4.091 -4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.278 3.283 -0.037 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.803 3.635 -2.445 1.00 0.00 H new ATOM 1028 N ASP A 65 7.662 7.054 -0.351 1.00 0.00 N ATOM 1029 CA ASP A 65 6.698 7.887 0.420 1.00 0.00 C ATOM 1030 C ASP A 65 5.433 7.075 0.703 1.00 0.00 C ATOM 1031 O ASP A 65 4.638 6.817 -0.180 1.00 0.00 O ATOM 1032 CB ASP A 65 6.335 9.132 -0.394 1.00 0.00 C ATOM 1033 CG ASP A 65 7.536 10.076 -0.446 1.00 0.00 C ATOM 1034 OD1 ASP A 65 8.507 9.810 0.243 1.00 0.00 O ATOM 1035 OD2 ASP A 65 7.465 11.051 -1.178 1.00 0.00 O ATOM 0 H ASP A 65 7.720 7.267 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 65 7.153 8.189 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.040 8.846 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.481 9.638 0.056 1.00 0.00 H new ATOM 1040 N PHE A 66 5.238 6.668 1.928 1.00 0.00 N ATOM 1041 CA PHE A 66 4.026 5.870 2.263 1.00 0.00 C ATOM 1042 C PHE A 66 2.803 6.788 2.296 1.00 0.00 C ATOM 1043 O PHE A 66 1.781 6.497 1.706 1.00 0.00 O ATOM 1044 CB PHE A 66 4.209 5.216 3.634 1.00 0.00 C ATOM 1045 CG PHE A 66 3.110 4.206 3.863 1.00 0.00 C ATOM 1046 CD1 PHE A 66 3.173 2.953 3.245 1.00 0.00 C ATOM 1047 CD2 PHE A 66 2.029 4.526 4.693 1.00 0.00 C ATOM 1048 CE1 PHE A 66 2.153 2.017 3.457 1.00 0.00 C ATOM 1049 CE2 PHE A 66 1.009 3.591 4.905 1.00 0.00 C ATOM 1050 CZ PHE A 66 1.072 2.335 4.286 1.00 0.00 C ATOM 0 H PHE A 66 5.866 6.854 2.710 1.00 0.00 H new ATOM 0 HA PHE A 66 3.880 5.098 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.182 4.728 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.188 5.975 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.007 2.707 2.605 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.982 5.494 5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.201 1.049 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.174 3.837 5.545 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.286 1.613 4.449 1.00 0.00 H new ATOM 1060 N ARG A 67 2.898 7.894 2.981 1.00 0.00 N ATOM 1061 CA ARG A 67 1.742 8.832 3.044 1.00 0.00 C ATOM 1062 C ARG A 67 1.303 9.199 1.627 1.00 0.00 C ATOM 1063 O ARG A 67 0.127 9.258 1.326 1.00 0.00 O ATOM 1064 CB ARG A 67 2.156 10.100 3.795 1.00 0.00 C ATOM 1065 CG ARG A 67 2.709 9.722 5.172 1.00 0.00 C ATOM 1066 CD ARG A 67 1.567 9.230 6.062 1.00 0.00 C ATOM 1067 NE ARG A 67 0.430 10.191 5.990 1.00 0.00 N ATOM 1068 CZ ARG A 67 -0.597 10.047 6.781 1.00 0.00 C ATOM 1069 NH1 ARG A 67 -0.629 9.062 7.637 1.00 0.00 N ATOM 1070 NH2 ARG A 67 -1.593 10.888 6.717 1.00 0.00 N ATOM 0 H ARG A 67 3.725 8.189 3.500 1.00 0.00 H new ATOM 0 HA ARG A 67 0.914 8.353 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.910 10.643 3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.300 10.766 3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.466 8.945 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.196 10.583 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.242 8.241 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.910 9.133 7.092 1.00 0.00 H new ATOM 0 HE ARG A 67 0.455 10.961 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.149 8.405 7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.432 8.950 8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.568 11.658 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.396 10.775 7.336 1.00 0.00 H new ATOM 1084 N THR A 68 2.238 9.449 0.751 1.00 0.00 N ATOM 1085 CA THR A 68 1.873 9.818 -0.646 1.00 0.00 C ATOM 1086 C THR A 68 1.967 8.581 -1.541 1.00 0.00 C ATOM 1087 O THR A 68 1.474 8.568 -2.652 1.00 0.00 O ATOM 1088 CB THR A 68 2.834 10.892 -1.157 1.00 0.00 C ATOM 1089 OG1 THR A 68 4.054 10.283 -1.556 1.00 0.00 O ATOM 1090 CG2 THR A 68 3.108 11.908 -0.047 1.00 0.00 C ATOM 0 H THR A 68 3.239 9.414 0.943 1.00 0.00 H new ATOM 0 HA THR A 68 0.854 10.204 -0.666 1.00 0.00 H new ATOM 0 HB THR A 68 2.386 11.403 -2.009 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.670 10.970 -1.885 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.793 12.672 -0.414 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.172 12.376 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.555 11.401 0.808 1.00 0.00 H new ATOM 1098 N GLY A 69 2.594 7.540 -1.067 1.00 0.00 N ATOM 1099 CA GLY A 69 2.713 6.303 -1.890 1.00 0.00 C ATOM 1100 C GLY A 69 3.558 6.593 -3.130 1.00 0.00 C ATOM 1101 O GLY A 69 3.359 6.012 -4.179 1.00 0.00 O ATOM 0 H GLY A 69 3.029 7.492 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.171 5.506 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.724 5.954 -2.185 1.00 0.00 H new ATOM 1105 N LYS A 70 4.503 7.486 -3.020 1.00 0.00 N ATOM 1106 CA LYS A 70 5.357 7.815 -4.195 1.00 0.00 C ATOM 1107 C LYS A 70 6.788 7.341 -3.933 1.00 0.00 C ATOM 1108 O LYS A 70 7.238 7.285 -2.807 1.00 0.00 O ATOM 1109 CB LYS A 70 5.356 9.329 -4.420 1.00 0.00 C ATOM 1110 CG LYS A 70 3.914 9.822 -4.564 1.00 0.00 C ATOM 1111 CD LYS A 70 3.309 9.257 -5.852 1.00 0.00 C ATOM 1112 CE LYS A 70 2.023 10.016 -6.187 1.00 0.00 C ATOM 1113 NZ LYS A 70 1.490 9.536 -7.493 1.00 0.00 N ATOM 0 H LYS A 70 4.720 8.002 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 70 4.964 7.316 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.842 9.832 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.927 9.575 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.323 9.508 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.891 10.912 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.022 9.348 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.096 8.195 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.283 9.863 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.222 11.087 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.616 10.051 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.196 9.703 -8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.286 8.518 -7.432 1.00 0.00 H new ATOM 1127 N MET A 71 7.508 6.998 -4.967 1.00 0.00 N ATOM 1128 CA MET A 71 8.911 6.531 -4.776 1.00 0.00 C ATOM 1129 C MET A 71 9.867 7.713 -4.930 1.00 0.00 C ATOM 1130 O MET A 71 9.875 8.394 -5.937 1.00 0.00 O ATOM 1131 CB MET A 71 9.240 5.468 -5.827 1.00 0.00 C ATOM 1132 CG MET A 71 10.651 4.931 -5.584 1.00 0.00 C ATOM 1133 SD MET A 71 10.720 4.125 -3.964 1.00 0.00 S ATOM 1134 CE MET A 71 10.807 2.419 -4.563 1.00 0.00 C ATOM 0 H MET A 71 7.186 7.021 -5.934 1.00 0.00 H new ATOM 0 HA MET A 71 9.020 6.104 -3.779 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.516 4.655 -5.776 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.169 5.896 -6.827 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.921 4.222 -6.367 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.374 5.745 -5.628 1.00 0.00 H new ATOM 0 HE1 MET A 71 10.715 1.733 -3.721 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.996 2.239 -5.269 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.763 2.256 -5.060 1.00 0.00 H new ATOM 1144 N LEU A 72 10.678 7.965 -3.938 1.00 0.00 N ATOM 1145 CA LEU A 72 11.635 9.104 -4.029 1.00 0.00 C ATOM 1146 C LEU A 72 13.026 8.574 -4.385 1.00 0.00 C ATOM 1147 CB LEU A 72 11.695 9.828 -2.682 1.00 0.00 C ATOM 1148 CG LEU A 72 12.132 11.277 -2.901 1.00 0.00 C ATOM 1149 CD1 LEU A 72 13.418 11.304 -3.727 1.00 0.00 C ATOM 1150 CD2 LEU A 72 11.030 12.033 -3.648 1.00 0.00 C ATOM 0 H LEU A 72 10.719 7.432 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 72 11.302 9.798 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.718 9.801 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.395 9.323 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 72 12.311 11.752 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.729 12.337 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 72 14.203 10.765 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 72 13.241 10.829 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 72 11.340 13.066 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.852 11.557 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.113 12.015 -3.059 1.00 0.00 H new TER 1162 LEU A 72