USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 42 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0612 K(o=-0.061,f=-2.5!) USER MOD Single : A 1 GLU N :NH3+ -130:sc= 0.0894 (180deg=-0.485) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= -0.108 (180deg=-0.725) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 10 THR OG1 : rot 90:sc= -0.0258 USER MOD Single : A 11 TYR OH : rot 121:sc= 0.086 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.034 X(o=-0.034,f=-0.4) USER MOD Single : A 37 SER OG : rot 74:sc= 0.856 USER MOD Single : A 40 CYS SG : rot -81:sc= -1.97! USER MOD Single : A 43 LYS NZ :NH3+ -159:sc=-0.00192 (180deg=-0.0781) USER MOD Single : A 45 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 70:sc= 0.886 USER MOD Single : A 62 SER OG : rot -140:sc= -0.447 USER MOD Single : A 63 SER OG : rot -82:sc= 0.338 USER MOD Single : A 68 SER OG : rot -49:sc= 0.665 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00202 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.421 -34.430 1.238 1.00 0.00 N ATOM 2 CA GLU A 1 10.700 -32.976 1.414 1.00 0.00 C ATOM 3 C GLU A 1 9.384 -32.228 1.597 1.00 0.00 C ATOM 4 O GLU A 1 8.308 -32.820 1.515 1.00 0.00 O ATOM 5 CB GLU A 1 11.437 -32.448 0.181 1.00 0.00 C ATOM 6 CG GLU A 1 12.793 -33.145 0.060 1.00 0.00 C ATOM 7 CD GLU A 1 13.575 -32.564 -1.113 1.00 0.00 C ATOM 8 OE1 GLU A 1 12.995 -31.799 -1.866 1.00 0.00 O ATOM 9 OE2 GLU A 1 14.744 -32.892 -1.242 1.00 0.00 O ATOM 0 H1 GLU A 1 11.021 -34.980 1.886 1.00 0.00 H new ATOM 0 H2 GLU A 1 9.420 -34.619 1.448 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.627 -34.707 0.257 1.00 0.00 H new ATOM 0 HA GLU A 1 11.323 -32.823 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 1 10.843 -32.627 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 1 11.576 -31.370 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.359 -33.020 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 1 12.649 -34.216 -0.083 1.00 0.00 H new ATOM 18 N SER A 2 9.481 -30.924 1.847 1.00 0.00 N ATOM 19 CA SER A 2 8.293 -30.097 2.044 1.00 0.00 C ATOM 20 C SER A 2 8.386 -28.815 1.222 1.00 0.00 C ATOM 21 O SER A 2 8.338 -27.713 1.768 1.00 0.00 O ATOM 22 CB SER A 2 8.148 -29.743 3.524 1.00 0.00 C ATOM 23 OG SER A 2 8.266 -30.925 4.305 1.00 0.00 O ATOM 0 H SER A 2 10.365 -30.420 1.918 1.00 0.00 H new ATOM 0 HA SER A 2 7.421 -30.663 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.914 -29.024 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.183 -29.270 3.703 1.00 0.00 H new ATOM 0 HG SER A 2 8.175 -30.700 5.254 1.00 0.00 H new ATOM 29 N PRO A 3 8.517 -28.940 -0.072 1.00 0.00 N ATOM 30 CA PRO A 3 8.618 -27.767 -0.988 1.00 0.00 C ATOM 31 C PRO A 3 7.292 -27.022 -1.113 1.00 0.00 C ATOM 32 O PRO A 3 7.256 -25.866 -1.536 1.00 0.00 O ATOM 33 CB PRO A 3 9.031 -28.380 -2.327 1.00 0.00 C ATOM 34 CG PRO A 3 8.579 -29.802 -2.276 1.00 0.00 C ATOM 35 CD PRO A 3 8.582 -30.216 -0.804 1.00 0.00 C ATOM 0 HA PRO A 3 9.327 -27.024 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.567 -27.851 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.110 -28.317 -2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.582 -29.906 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.244 -30.440 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.731 -30.855 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.482 -30.776 -0.549 1.00 0.00 H new ATOM 43 N LYS A 4 6.205 -27.690 -0.741 1.00 0.00 N ATOM 44 CA LYS A 4 4.883 -27.081 -0.816 1.00 0.00 C ATOM 45 C LYS A 4 4.698 -26.062 0.306 1.00 0.00 C ATOM 46 O LYS A 4 3.980 -25.074 0.148 1.00 0.00 O ATOM 47 CB LYS A 4 3.803 -28.160 -0.710 1.00 0.00 C ATOM 48 CG LYS A 4 3.903 -29.101 -1.912 1.00 0.00 C ATOM 49 CD LYS A 4 2.756 -30.112 -1.865 1.00 0.00 C ATOM 50 CE LYS A 4 2.936 -31.142 -2.983 1.00 0.00 C ATOM 51 NZ LYS A 4 3.292 -30.444 -4.250 1.00 0.00 N ATOM 0 H LYS A 4 6.213 -28.647 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 4 4.793 -26.570 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.925 -28.722 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.816 -27.699 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.860 -28.530 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.861 -29.621 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.737 -30.611 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.801 -29.600 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.718 -31.852 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.018 -31.714 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.055 -31.052 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.759 -29.554 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.311 -30.238 -4.258 1.00 0.00 H new ATOM 65 N GLU A 5 5.350 -26.310 1.436 1.00 0.00 N ATOM 66 CA GLU A 5 5.251 -25.408 2.578 1.00 0.00 C ATOM 67 C GLU A 5 5.654 -23.992 2.176 1.00 0.00 C ATOM 68 O GLU A 5 5.100 -23.013 2.675 1.00 0.00 O ATOM 69 CB GLU A 5 6.161 -25.898 3.709 1.00 0.00 C ATOM 70 CG GLU A 5 5.851 -25.128 4.995 1.00 0.00 C ATOM 71 CD GLU A 5 4.515 -25.588 5.569 1.00 0.00 C ATOM 72 OE1 GLU A 5 4.161 -26.734 5.348 1.00 0.00 O ATOM 73 OE2 GLU A 5 3.866 -24.786 6.221 1.00 0.00 O ATOM 0 H GLU A 5 5.949 -27.122 1.586 1.00 0.00 H new ATOM 0 HA GLU A 5 4.217 -25.396 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.014 -26.966 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.206 -25.758 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.644 -25.288 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.819 -24.058 4.789 1.00 0.00 H new ATOM 80 N HIS A 6 6.623 -23.893 1.271 1.00 0.00 N ATOM 81 CA HIS A 6 7.096 -22.593 0.811 1.00 0.00 C ATOM 82 C HIS A 6 5.981 -21.829 0.103 1.00 0.00 C ATOM 83 O HIS A 6 5.876 -20.610 0.230 1.00 0.00 O ATOM 84 CB HIS A 6 8.275 -22.777 -0.146 1.00 0.00 C ATOM 85 CG HIS A 6 8.801 -21.429 -0.558 1.00 0.00 C ATOM 86 ND1 HIS A 6 9.368 -20.548 0.349 1.00 0.00 N ATOM 87 CD2 HIS A 6 8.853 -20.798 -1.776 1.00 0.00 C ATOM 88 CE1 HIS A 6 9.734 -19.445 -0.330 1.00 0.00 C ATOM 89 NE2 HIS A 6 9.443 -19.546 -1.630 1.00 0.00 N ATOM 0 H HIS A 6 7.093 -24.692 0.845 1.00 0.00 H new ATOM 0 HA HIS A 6 7.415 -22.019 1.681 1.00 0.00 H new ATOM 0 HB2 HIS A 6 9.063 -23.355 0.337 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.960 -23.340 -1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 6 8.491 -21.210 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 6 10.205 -18.584 0.121 1.00 0.00 H new ATOM 0 HE2 HIS A 6 9.616 -18.854 -2.359 1.00 0.00 H new ATOM 98 N ASP A 7 5.155 -22.551 -0.648 1.00 0.00 N ATOM 99 CA ASP A 7 4.057 -21.924 -1.372 1.00 0.00 C ATOM 100 C ASP A 7 2.865 -21.686 -0.444 1.00 0.00 C ATOM 101 O ASP A 7 2.766 -22.302 0.617 1.00 0.00 O ATOM 102 CB ASP A 7 3.628 -22.813 -2.541 1.00 0.00 C ATOM 103 CG ASP A 7 4.033 -22.170 -3.863 1.00 0.00 C ATOM 104 OD1 ASP A 7 5.207 -21.881 -4.023 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.164 -21.978 -4.697 1.00 0.00 O ATOM 0 H ASP A 7 5.224 -23.561 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 7 4.401 -20.963 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.090 -23.796 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.549 -22.964 -2.516 1.00 0.00 H new ATOM 110 N PRO A 8 1.964 -20.812 -0.822 1.00 0.00 N ATOM 111 CA PRO A 8 0.757 -20.497 0.000 1.00 0.00 C ATOM 112 C PRO A 8 -0.245 -21.648 0.017 1.00 0.00 C ATOM 113 O PRO A 8 -1.171 -21.666 0.828 1.00 0.00 O ATOM 114 CB PRO A 8 0.158 -19.267 -0.685 1.00 0.00 C ATOM 115 CG PRO A 8 0.633 -19.332 -2.098 1.00 0.00 C ATOM 116 CD PRO A 8 1.993 -20.026 -2.068 1.00 0.00 C ATOM 0 HA PRO A 8 1.012 -20.326 1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.931 -19.280 -0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.488 -18.348 -0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.071 -19.886 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.717 -18.333 -2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.135 -20.665 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.810 -19.304 -2.066 1.00 0.00 H new ATOM 124 N PHE A 9 -0.058 -22.605 -0.887 1.00 0.00 N ATOM 125 CA PHE A 9 -0.957 -23.751 -0.969 1.00 0.00 C ATOM 126 C PHE A 9 -1.177 -24.365 0.410 1.00 0.00 C ATOM 127 O PHE A 9 -2.299 -24.722 0.769 1.00 0.00 O ATOM 128 CB PHE A 9 -0.373 -24.807 -1.909 1.00 0.00 C ATOM 129 CG PHE A 9 -1.351 -25.948 -2.054 1.00 0.00 C ATOM 130 CD1 PHE A 9 -2.379 -25.873 -3.003 1.00 0.00 C ATOM 131 CD2 PHE A 9 -1.231 -27.081 -1.240 1.00 0.00 C ATOM 132 CE1 PHE A 9 -3.286 -26.931 -3.136 1.00 0.00 C ATOM 133 CE2 PHE A 9 -2.138 -28.139 -1.374 1.00 0.00 C ATOM 134 CZ PHE A 9 -3.166 -28.064 -2.322 1.00 0.00 C ATOM 0 H PHE A 9 0.701 -22.610 -1.568 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.915 -23.406 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.165 -24.366 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.575 -25.174 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.472 -25.000 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.438 -27.139 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.079 -26.873 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.045 -29.013 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.866 -28.880 -2.425 1.00 0.00 H new ATOM 144 N THR A 10 -0.101 -24.485 1.179 1.00 0.00 N ATOM 145 CA THR A 10 -0.191 -25.058 2.517 1.00 0.00 C ATOM 146 C THR A 10 -1.032 -24.172 3.432 1.00 0.00 C ATOM 147 O THR A 10 -1.630 -24.652 4.396 1.00 0.00 O ATOM 148 CB THR A 10 1.209 -25.223 3.111 1.00 0.00 C ATOM 149 OG1 THR A 10 1.971 -26.098 2.290 1.00 0.00 O ATOM 150 CG2 THR A 10 1.104 -25.806 4.523 1.00 0.00 C ATOM 0 H THR A 10 0.837 -24.196 0.902 1.00 0.00 H new ATOM 0 HA THR A 10 -0.671 -26.033 2.438 1.00 0.00 H new ATOM 0 HB THR A 10 1.699 -24.251 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.438 -25.578 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.103 -25.923 4.944 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.521 -25.133 5.152 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.613 -26.778 4.480 1.00 0.00 H new ATOM 158 N TYR A 11 -1.069 -22.877 3.128 1.00 0.00 N ATOM 159 CA TYR A 11 -1.834 -21.932 3.937 1.00 0.00 C ATOM 160 C TYR A 11 -3.144 -21.559 3.248 1.00 0.00 C ATOM 161 O TYR A 11 -3.175 -21.311 2.042 1.00 0.00 O ATOM 162 CB TYR A 11 -1.009 -20.666 4.176 1.00 0.00 C ATOM 163 CG TYR A 11 0.180 -20.994 5.047 1.00 0.00 C ATOM 164 CD1 TYR A 11 0.048 -20.988 6.440 1.00 0.00 C ATOM 165 CD2 TYR A 11 1.413 -21.302 4.460 1.00 0.00 C ATOM 166 CE1 TYR A 11 1.150 -21.291 7.248 1.00 0.00 C ATOM 167 CE2 TYR A 11 2.515 -21.605 5.269 1.00 0.00 C ATOM 168 CZ TYR A 11 2.384 -21.599 6.663 1.00 0.00 C ATOM 169 OH TYR A 11 3.470 -21.897 7.460 1.00 0.00 O ATOM 0 H TYR A 11 -0.583 -22.461 2.334 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.064 -22.409 4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.673 -20.254 3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.624 -19.904 4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.904 -20.750 6.891 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.514 -21.306 3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.048 -21.287 8.323 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.467 -21.843 4.817 1.00 0.00 H new ATOM 0 HH TYR A 11 3.792 -22.799 7.251 1.00 0.00 H new ATOM 179 N ASP A 12 -4.221 -21.513 4.025 1.00 0.00 N ATOM 180 CA ASP A 12 -5.528 -21.158 3.484 1.00 0.00 C ATOM 181 C ASP A 12 -5.695 -19.641 3.457 1.00 0.00 C ATOM 182 O ASP A 12 -6.728 -19.126 3.028 1.00 0.00 O ATOM 183 CB ASP A 12 -6.635 -21.784 4.337 1.00 0.00 C ATOM 184 CG ASP A 12 -6.554 -21.252 5.766 1.00 0.00 C ATOM 185 OD1 ASP A 12 -5.797 -20.323 5.989 1.00 0.00 O ATOM 186 OD2 ASP A 12 -7.250 -21.786 6.615 1.00 0.00 O ATOM 0 H ASP A 12 -4.216 -21.716 5.025 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.599 -21.540 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.610 -21.553 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.536 -22.869 4.338 1.00 0.00 H new ATOM 191 N TYR A 13 -4.666 -18.936 3.918 1.00 0.00 N ATOM 192 CA TYR A 13 -4.695 -17.476 3.949 1.00 0.00 C ATOM 193 C TYR A 13 -4.278 -16.902 2.599 1.00 0.00 C ATOM 194 O TYR A 13 -3.676 -15.832 2.526 1.00 0.00 O ATOM 195 CB TYR A 13 -3.749 -16.962 5.036 1.00 0.00 C ATOM 196 CG TYR A 13 -4.175 -17.522 6.374 1.00 0.00 C ATOM 197 CD1 TYR A 13 -5.367 -17.086 6.966 1.00 0.00 C ATOM 198 CD2 TYR A 13 -3.381 -18.477 7.020 1.00 0.00 C ATOM 199 CE1 TYR A 13 -5.763 -17.604 8.204 1.00 0.00 C ATOM 200 CE2 TYR A 13 -3.778 -18.995 8.259 1.00 0.00 C ATOM 201 CZ TYR A 13 -4.969 -18.559 8.851 1.00 0.00 C ATOM 202 OH TYR A 13 -5.360 -19.070 10.071 1.00 0.00 O ATOM 0 H TYR A 13 -3.804 -19.350 4.274 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.713 -17.155 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.724 -17.260 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.765 -15.872 5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.980 -16.350 6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.462 -18.814 6.563 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.682 -17.267 8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.165 -19.731 8.758 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.697 -19.722 10.380 1.00 0.00 H new ATOM 212 N GLN A 14 -4.597 -17.624 1.532 1.00 0.00 N ATOM 213 CA GLN A 14 -4.243 -17.180 0.189 1.00 0.00 C ATOM 214 C GLN A 14 -4.703 -15.743 -0.049 1.00 0.00 C ATOM 215 O GLN A 14 -3.941 -14.912 -0.541 1.00 0.00 O ATOM 216 CB GLN A 14 -4.899 -18.100 -0.845 1.00 0.00 C ATOM 217 CG GLN A 14 -4.404 -19.534 -0.645 1.00 0.00 C ATOM 218 CD GLN A 14 -5.147 -20.477 -1.586 1.00 0.00 C ATOM 219 OE1 GLN A 14 -6.215 -20.136 -2.094 1.00 0.00 O ATOM 220 NE2 GLN A 14 -4.643 -21.652 -1.851 1.00 0.00 N ATOM 0 H GLN A 14 -5.096 -18.513 1.569 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.158 -17.220 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.984 -18.062 -0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.660 -17.760 -1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.332 -19.587 -0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.560 -19.841 0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.758 -21.934 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.134 -22.288 -2.479 1.00 0.00 H new ATOM 229 N SER A 15 -5.957 -15.463 0.290 1.00 0.00 N ATOM 230 CA SER A 15 -6.511 -14.125 0.095 1.00 0.00 C ATOM 231 C SER A 15 -6.179 -13.192 1.259 1.00 0.00 C ATOM 232 O SER A 15 -6.036 -11.983 1.071 1.00 0.00 O ATOM 233 CB SER A 15 -8.029 -14.214 -0.064 1.00 0.00 C ATOM 234 OG SER A 15 -8.611 -14.584 1.179 1.00 0.00 O ATOM 0 H SER A 15 -6.605 -16.137 0.698 1.00 0.00 H new ATOM 0 HA SER A 15 -6.059 -13.711 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.428 -13.255 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.284 -14.946 -0.830 1.00 0.00 H new ATOM 0 HG SER A 15 -9.584 -14.640 1.081 1.00 0.00 H new ATOM 240 N LEU A 16 -6.084 -13.745 2.465 1.00 0.00 N ATOM 241 CA LEU A 16 -5.799 -12.932 3.645 1.00 0.00 C ATOM 242 C LEU A 16 -4.309 -12.622 3.776 1.00 0.00 C ATOM 243 O LEU A 16 -3.900 -11.892 4.679 1.00 0.00 O ATOM 244 CB LEU A 16 -6.282 -13.651 4.906 1.00 0.00 C ATOM 245 CG LEU A 16 -6.644 -12.616 5.974 1.00 0.00 C ATOM 246 CD1 LEU A 16 -8.104 -12.195 5.802 1.00 0.00 C ATOM 247 CD2 LEU A 16 -6.453 -13.225 7.366 1.00 0.00 C ATOM 0 H LEU A 16 -6.199 -14.741 2.651 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.332 -11.988 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.149 -14.270 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.504 -14.317 5.279 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.997 -11.745 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.362 -11.458 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.243 -11.759 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.749 -13.067 5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.711 -12.486 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.099 -14.097 7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.413 -13.526 7.492 1.00 0.00 H new ATOM 259 N GLN A 17 -3.496 -13.181 2.886 1.00 0.00 N ATOM 260 CA GLN A 17 -2.053 -12.948 2.941 1.00 0.00 C ATOM 261 C GLN A 17 -1.691 -11.539 2.467 1.00 0.00 C ATOM 262 O GLN A 17 -0.903 -10.846 3.112 1.00 0.00 O ATOM 263 CB GLN A 17 -1.320 -13.983 2.082 1.00 0.00 C ATOM 264 CG GLN A 17 -0.894 -15.171 2.952 1.00 0.00 C ATOM 265 CD GLN A 17 0.401 -14.846 3.690 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.369 -14.392 3.079 1.00 0.00 O ATOM 267 NE2 GLN A 17 0.477 -15.054 4.977 1.00 0.00 N ATOM 0 H GLN A 17 -3.803 -13.790 2.128 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.742 -13.046 3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -1.969 -14.325 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.445 -13.529 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.680 -15.406 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.755 -16.055 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.326 -15.430 5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.339 -14.840 5.478 1.00 0.00 H new ATOM 276 N ILE A 18 -2.252 -11.122 1.334 1.00 0.00 N ATOM 277 CA ILE A 18 -1.955 -9.797 0.788 1.00 0.00 C ATOM 278 C ILE A 18 -3.011 -8.775 1.201 1.00 0.00 C ATOM 279 O ILE A 18 -2.731 -7.579 1.278 1.00 0.00 O ATOM 280 CB ILE A 18 -1.899 -9.864 -0.742 1.00 0.00 C ATOM 281 CG1 ILE A 18 -1.073 -11.080 -1.179 1.00 0.00 C ATOM 282 CG2 ILE A 18 -1.258 -8.588 -1.295 1.00 0.00 C ATOM 283 CD1 ILE A 18 0.265 -11.102 -0.435 1.00 0.00 C ATOM 0 H ILE A 18 -2.907 -11.674 0.781 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.990 -9.483 1.187 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.913 -9.957 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.626 -11.997 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.899 -11.044 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.221 -8.642 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.850 -7.724 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.246 -8.489 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.844 -11.969 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.822 -10.192 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.084 -11.160 0.638 1.00 0.00 H new ATOM 295 N GLY A 19 -4.225 -9.254 1.447 1.00 0.00 N ATOM 296 CA GLY A 19 -5.327 -8.378 1.834 1.00 0.00 C ATOM 297 C GLY A 19 -4.868 -7.248 2.755 1.00 0.00 C ATOM 298 O GLY A 19 -4.648 -6.122 2.310 1.00 0.00 O ATOM 0 H GLY A 19 -4.472 -10.242 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.783 -7.953 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.096 -8.964 2.336 1.00 0.00 H new ATOM 302 N GLY A 20 -4.746 -7.556 4.040 1.00 0.00 N ATOM 303 CA GLY A 20 -4.336 -6.563 5.030 1.00 0.00 C ATOM 304 C GLY A 20 -3.193 -5.682 4.526 1.00 0.00 C ATOM 305 O GLY A 20 -3.144 -4.488 4.822 1.00 0.00 O ATOM 0 H GLY A 20 -4.925 -8.484 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.189 -5.936 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.026 -7.070 5.944 1.00 0.00 H new ATOM 309 N LEU A 21 -2.261 -6.278 3.789 1.00 0.00 N ATOM 310 CA LEU A 21 -1.108 -5.536 3.283 1.00 0.00 C ATOM 311 C LEU A 21 -1.509 -4.458 2.271 1.00 0.00 C ATOM 312 O LEU A 21 -0.996 -3.340 2.313 1.00 0.00 O ATOM 313 CB LEU A 21 -0.123 -6.503 2.620 1.00 0.00 C ATOM 314 CG LEU A 21 0.055 -7.744 3.497 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.179 -8.613 2.930 1.00 0.00 C ATOM 316 CD2 LEU A 21 0.413 -7.318 4.924 1.00 0.00 C ATOM 0 H LEU A 21 -2.279 -7.264 3.530 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.644 -5.039 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.490 -6.792 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.838 -6.011 2.470 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.875 -8.313 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.306 -9.497 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.925 -8.919 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.108 -8.043 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.539 -8.203 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.342 -6.748 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.387 -6.699 5.331 1.00 0.00 H new ATOM 328 N VAL A 22 -2.399 -4.805 1.350 1.00 0.00 N ATOM 329 CA VAL A 22 -2.824 -3.860 0.318 1.00 0.00 C ATOM 330 C VAL A 22 -3.646 -2.706 0.892 1.00 0.00 C ATOM 331 O VAL A 22 -3.385 -1.541 0.590 1.00 0.00 O ATOM 332 CB VAL A 22 -3.653 -4.586 -0.740 1.00 0.00 C ATOM 333 CG1 VAL A 22 -4.449 -3.562 -1.554 1.00 0.00 C ATOM 334 CG2 VAL A 22 -2.720 -5.357 -1.676 1.00 0.00 C ATOM 0 H VAL A 22 -2.839 -5.724 1.294 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.921 -3.441 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.338 -5.279 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.041 -4.079 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.112 -3.006 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.761 -2.871 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.310 -5.876 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.037 -4.661 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.147 -6.084 -1.101 1.00 0.00 H new ATOM 344 N ILE A 23 -4.649 -3.032 1.702 1.00 0.00 N ATOM 345 CA ILE A 23 -5.511 -2.004 2.284 1.00 0.00 C ATOM 346 C ILE A 23 -4.736 -1.097 3.237 1.00 0.00 C ATOM 347 O ILE A 23 -4.923 0.119 3.234 1.00 0.00 O ATOM 348 CB ILE A 23 -6.678 -2.662 3.027 1.00 0.00 C ATOM 349 CG1 ILE A 23 -6.129 -3.618 4.089 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.544 -3.448 2.037 1.00 0.00 C ATOM 351 CD1 ILE A 23 -7.272 -4.458 4.664 1.00 0.00 C ATOM 0 H ILE A 23 -4.885 -3.988 1.969 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.894 -1.388 1.471 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.283 -1.891 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.371 -4.268 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.643 -3.053 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.373 -3.915 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.935 -2.770 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.940 -4.219 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.879 -5.138 5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.014 -3.801 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.738 -5.034 3.865 1.00 0.00 H new ATOM 363 N ALA A 24 -3.869 -1.684 4.048 1.00 0.00 N ATOM 364 CA ALA A 24 -3.084 -0.897 4.989 1.00 0.00 C ATOM 365 C ALA A 24 -2.224 0.117 4.240 1.00 0.00 C ATOM 366 O ALA A 24 -2.144 1.290 4.617 1.00 0.00 O ATOM 367 CB ALA A 24 -2.187 -1.819 5.818 1.00 0.00 C ATOM 0 H ALA A 24 -3.692 -2.688 4.075 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.765 -0.364 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.603 -1.224 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.805 -2.528 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.514 -2.363 5.156 1.00 0.00 H new ATOM 373 N GLY A 25 -1.583 -0.348 3.175 1.00 0.00 N ATOM 374 CA GLY A 25 -0.726 0.509 2.371 1.00 0.00 C ATOM 375 C GLY A 25 -1.514 1.642 1.723 1.00 0.00 C ATOM 376 O GLY A 25 -1.007 2.755 1.583 1.00 0.00 O ATOM 0 H GLY A 25 -1.641 -1.313 2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.063 0.926 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.239 -0.085 1.598 1.00 0.00 H new ATOM 380 N ILE A 26 -2.749 1.362 1.315 1.00 0.00 N ATOM 381 CA ILE A 26 -3.564 2.386 0.672 1.00 0.00 C ATOM 382 C ILE A 26 -3.893 3.515 1.651 1.00 0.00 C ATOM 383 O ILE A 26 -3.947 4.683 1.264 1.00 0.00 O ATOM 384 CB ILE A 26 -4.839 1.765 0.072 1.00 0.00 C ATOM 385 CG1 ILE A 26 -5.032 2.335 -1.339 1.00 0.00 C ATOM 386 CG2 ILE A 26 -6.078 2.081 0.928 1.00 0.00 C ATOM 387 CD1 ILE A 26 -6.353 1.841 -1.928 1.00 0.00 C ATOM 0 H ILE A 26 -3.200 0.453 1.416 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.991 2.821 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.725 0.681 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.025 3.424 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.203 2.032 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.959 1.627 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.939 1.679 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.215 3.161 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.481 2.251 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.344 0.752 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.178 2.167 -1.295 1.00 0.00 H new ATOM 399 N LEU A 27 -4.106 3.169 2.918 1.00 0.00 N ATOM 400 CA LEU A 27 -4.418 4.178 3.926 1.00 0.00 C ATOM 401 C LEU A 27 -3.233 5.122 4.122 1.00 0.00 C ATOM 402 O LEU A 27 -3.395 6.340 4.148 1.00 0.00 O ATOM 403 CB LEU A 27 -4.765 3.506 5.257 1.00 0.00 C ATOM 404 CG LEU A 27 -5.526 4.493 6.144 1.00 0.00 C ATOM 405 CD1 LEU A 27 -7.025 4.389 5.854 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.269 4.162 7.615 1.00 0.00 C ATOM 0 H LEU A 27 -4.069 2.212 3.268 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.276 4.754 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.371 2.617 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.855 3.177 5.759 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.184 5.506 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.567 5.092 6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.210 4.625 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.367 3.375 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.811 4.866 8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.610 3.148 7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.202 4.236 7.823 1.00 0.00 H new ATOM 418 N PHE A 28 -2.046 4.542 4.266 1.00 0.00 N ATOM 419 CA PHE A 28 -0.828 5.322 4.464 1.00 0.00 C ATOM 420 C PHE A 28 -0.421 6.059 3.186 1.00 0.00 C ATOM 421 O PHE A 28 0.066 7.182 3.248 1.00 0.00 O ATOM 422 CB PHE A 28 0.306 4.404 4.927 1.00 0.00 C ATOM 423 CG PHE A 28 0.174 4.167 6.415 1.00 0.00 C ATOM 424 CD1 PHE A 28 -0.876 3.383 6.907 1.00 0.00 C ATOM 425 CD2 PHE A 28 1.095 4.737 7.304 1.00 0.00 C ATOM 426 CE1 PHE A 28 -1.007 3.167 8.285 1.00 0.00 C ATOM 427 CE2 PHE A 28 0.966 4.520 8.682 1.00 0.00 C ATOM 428 CZ PHE A 28 -0.085 3.736 9.171 1.00 0.00 C ATOM 0 H PHE A 28 -1.901 3.533 4.249 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.026 6.071 5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.266 3.456 4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.272 4.857 4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.587 2.944 6.223 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.905 5.344 6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.818 2.562 8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.677 4.958 9.367 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.185 3.570 10.233 1.00 0.00 H new ATOM 438 N ILE A 29 -0.630 5.428 2.033 1.00 0.00 N ATOM 439 CA ILE A 29 -0.289 6.056 0.753 1.00 0.00 C ATOM 440 C ILE A 29 -1.173 7.273 0.546 1.00 0.00 C ATOM 441 O ILE A 29 -0.702 8.359 0.206 1.00 0.00 O ATOM 442 CB ILE A 29 -0.501 5.076 -0.400 1.00 0.00 C ATOM 443 CG1 ILE A 29 0.682 4.110 -0.480 1.00 0.00 C ATOM 444 CG2 ILE A 29 -0.619 5.850 -1.715 1.00 0.00 C ATOM 445 CD1 ILE A 29 0.328 2.952 -1.415 1.00 0.00 C ATOM 0 H ILE A 29 -1.029 4.493 1.955 1.00 0.00 H new ATOM 0 HA ILE A 29 0.760 6.351 0.773 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.417 4.511 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.567 4.630 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.924 3.730 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.770 5.150 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.466 6.534 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.295 6.418 -1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.170 2.262 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.546 2.427 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.108 3.341 -2.409 1.00 0.00 H new ATOM 457 N LEU A 30 -2.455 7.086 0.823 1.00 0.00 N ATOM 458 CA LEU A 30 -3.415 8.151 0.748 1.00 0.00 C ATOM 459 C LEU A 30 -3.005 9.128 1.810 1.00 0.00 C ATOM 460 O LEU A 30 -3.154 10.340 1.680 1.00 0.00 O ATOM 461 CB LEU A 30 -4.828 7.617 1.012 1.00 0.00 C ATOM 462 CG LEU A 30 -5.868 8.649 0.574 1.00 0.00 C ATOM 463 CD1 LEU A 30 -6.214 8.437 -0.901 1.00 0.00 C ATOM 464 CD2 LEU A 30 -7.130 8.486 1.422 1.00 0.00 C ATOM 0 H LEU A 30 -2.848 6.188 1.105 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.437 8.615 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.980 6.683 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.949 7.394 2.072 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.463 9.652 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.955 9.174 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.314 8.551 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.619 7.435 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.874 9.220 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.533 7.482 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.884 8.639 2.473 1.00 0.00 H new ATOM 476 N GLY A 31 -2.487 8.545 2.883 1.00 0.00 N ATOM 477 CA GLY A 31 -2.032 9.331 4.027 1.00 0.00 C ATOM 478 C GLY A 31 -0.932 10.318 3.629 1.00 0.00 C ATOM 479 O GLY A 31 -1.025 11.512 3.917 1.00 0.00 O ATOM 0 H GLY A 31 -2.371 7.537 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.874 9.876 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.659 8.663 4.803 1.00 0.00 H new ATOM 483 N ILE A 32 0.111 9.812 2.976 1.00 0.00 N ATOM 484 CA ILE A 32 1.228 10.654 2.557 1.00 0.00 C ATOM 485 C ILE A 32 0.781 11.693 1.538 1.00 0.00 C ATOM 486 O ILE A 32 1.141 12.864 1.639 1.00 0.00 O ATOM 487 CB ILE A 32 2.330 9.788 1.945 1.00 0.00 C ATOM 488 CG1 ILE A 32 2.892 8.851 3.017 1.00 0.00 C ATOM 489 CG2 ILE A 32 3.448 10.686 1.416 1.00 0.00 C ATOM 490 CD1 ILE A 32 3.727 7.755 2.354 1.00 0.00 C ATOM 0 H ILE A 32 0.206 8.828 2.726 1.00 0.00 H new ATOM 0 HA ILE A 32 1.608 11.172 3.437 1.00 0.00 H new ATOM 0 HB ILE A 32 1.919 9.199 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.505 9.414 3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.078 8.406 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.234 10.070 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.047 11.356 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.861 11.274 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.126 7.089 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.101 7.185 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.550 8.209 1.802 1.00 0.00 H new ATOM 502 N LEU A 33 -0.013 11.271 0.562 1.00 0.00 N ATOM 503 CA LEU A 33 -0.498 12.197 -0.450 1.00 0.00 C ATOM 504 C LEU A 33 -1.378 13.249 0.208 1.00 0.00 C ATOM 505 O LEU A 33 -1.264 14.441 -0.076 1.00 0.00 O ATOM 506 CB LEU A 33 -1.289 11.438 -1.521 1.00 0.00 C ATOM 507 CG LEU A 33 -0.363 10.455 -2.255 1.00 0.00 C ATOM 508 CD1 LEU A 33 -1.184 9.619 -3.237 1.00 0.00 C ATOM 509 CD2 LEU A 33 0.725 11.218 -3.026 1.00 0.00 C ATOM 0 H LEU A 33 -0.330 10.308 0.451 1.00 0.00 H new ATOM 0 HA LEU A 33 0.350 12.687 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.116 10.898 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.724 12.141 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 33 0.112 9.805 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.528 8.922 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.946 9.062 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.664 10.276 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.372 10.508 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.258 11.878 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.318 11.810 -2.329 1.00 0.00 H new ATOM 521 N ILE A 34 -2.251 12.794 1.096 1.00 0.00 N ATOM 522 CA ILE A 34 -3.153 13.701 1.808 1.00 0.00 C ATOM 523 C ILE A 34 -2.372 14.716 2.644 1.00 0.00 C ATOM 524 O ILE A 34 -2.688 15.904 2.644 1.00 0.00 O ATOM 525 CB ILE A 34 -4.090 12.913 2.728 1.00 0.00 C ATOM 526 CG1 ILE A 34 -5.246 12.345 1.907 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.650 13.841 3.812 1.00 0.00 C ATOM 528 CD1 ILE A 34 -6.004 11.309 2.740 1.00 0.00 C ATOM 0 H ILE A 34 -2.357 11.810 1.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.737 14.235 1.058 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.535 12.100 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.919 13.147 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.866 11.886 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.316 13.277 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.829 14.252 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.204 14.655 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.829 10.904 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.327 10.502 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.397 11.782 3.640 1.00 0.00 H new ATOM 540 N VAL A 35 -1.369 14.240 3.376 1.00 0.00 N ATOM 541 CA VAL A 35 -0.576 15.127 4.224 1.00 0.00 C ATOM 542 C VAL A 35 0.046 16.256 3.408 1.00 0.00 C ATOM 543 O VAL A 35 -0.097 17.431 3.748 1.00 0.00 O ATOM 544 CB VAL A 35 0.531 14.336 4.923 1.00 0.00 C ATOM 545 CG1 VAL A 35 1.519 15.307 5.572 1.00 0.00 C ATOM 546 CG2 VAL A 35 -0.083 13.442 6.003 1.00 0.00 C ATOM 0 H VAL A 35 -1.088 13.260 3.401 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.242 15.562 4.969 1.00 0.00 H new ATOM 0 HB VAL A 35 1.052 13.719 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.308 14.744 6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.958 15.946 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.996 15.924 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.706 12.879 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.604 14.060 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.789 12.750 5.544 1.00 0.00 H new ATOM 556 N LEU A 36 0.736 15.895 2.333 1.00 0.00 N ATOM 557 CA LEU A 36 1.376 16.890 1.478 1.00 0.00 C ATOM 558 C LEU A 36 0.328 17.752 0.778 1.00 0.00 C ATOM 559 O LEU A 36 0.559 18.931 0.506 1.00 0.00 O ATOM 560 CB LEU A 36 2.251 16.194 0.432 1.00 0.00 C ATOM 561 CG LEU A 36 3.272 15.289 1.133 1.00 0.00 C ATOM 562 CD1 LEU A 36 4.092 14.536 0.084 1.00 0.00 C ATOM 563 CD2 LEU A 36 4.214 16.132 2.001 1.00 0.00 C ATOM 0 H LEU A 36 0.867 14.929 2.033 1.00 0.00 H new ATOM 0 HA LEU A 36 1.997 17.532 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.630 15.604 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.766 16.936 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 36 2.740 14.579 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.818 13.893 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.427 13.927 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.616 15.251 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.935 15.480 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.743 16.849 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.634 16.667 2.753 1.00 0.00 H new ATOM 575 N SER A 37 -0.817 17.151 0.481 1.00 0.00 N ATOM 576 CA SER A 37 -1.897 17.859 -0.201 1.00 0.00 C ATOM 577 C SER A 37 -2.398 19.044 0.621 1.00 0.00 C ATOM 578 O SER A 37 -2.772 20.077 0.065 1.00 0.00 O ATOM 579 CB SER A 37 -3.057 16.907 -0.463 1.00 0.00 C ATOM 580 OG SER A 37 -2.642 15.892 -1.367 1.00 0.00 O ATOM 0 H SER A 37 -1.023 16.177 0.700 1.00 0.00 H new ATOM 0 HA SER A 37 -1.501 18.236 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.393 16.460 0.473 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.904 17.454 -0.877 1.00 0.00 H new ATOM 0 HG SER A 37 -2.051 15.262 -0.903 1.00 0.00 H new ATOM 586 N ARG A 38 -2.420 18.890 1.940 1.00 0.00 N ATOM 587 CA ARG A 38 -2.899 19.961 2.810 1.00 0.00 C ATOM 588 C ARG A 38 -2.098 21.236 2.580 1.00 0.00 C ATOM 589 O ARG A 38 -2.634 22.342 2.668 1.00 0.00 O ATOM 590 CB ARG A 38 -2.780 19.541 4.277 1.00 0.00 C ATOM 591 CG ARG A 38 -3.839 18.483 4.599 1.00 0.00 C ATOM 592 CD ARG A 38 -3.807 18.172 6.095 1.00 0.00 C ATOM 593 NE ARG A 38 -4.791 17.145 6.419 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.118 16.883 7.681 1.00 0.00 C ATOM 595 NH1 ARG A 38 -4.551 17.544 8.653 1.00 0.00 N ATOM 596 NH2 ARG A 38 -6.005 15.963 7.947 1.00 0.00 N ATOM 0 H ARG A 38 -2.117 18.047 2.427 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.945 20.153 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.784 19.143 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.909 20.408 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.827 18.843 4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.650 17.577 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.811 17.835 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.014 19.077 6.666 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.235 16.620 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.857 18.262 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.802 17.343 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.447 15.446 7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.256 15.761 8.915 1.00 0.00 H new ATOM 610 N ARG A 39 -0.815 21.079 2.280 1.00 0.00 N ATOM 611 CA ARG A 39 0.047 22.227 2.035 1.00 0.00 C ATOM 612 C ARG A 39 -0.428 22.998 0.808 1.00 0.00 C ATOM 613 O ARG A 39 -0.270 24.217 0.729 1.00 0.00 O ATOM 614 CB ARG A 39 1.488 21.761 1.824 1.00 0.00 C ATOM 615 CG ARG A 39 1.915 20.867 2.992 1.00 0.00 C ATOM 616 CD ARG A 39 1.837 21.654 4.302 1.00 0.00 C ATOM 617 NE ARG A 39 2.758 21.092 5.283 1.00 0.00 N ATOM 618 CZ ARG A 39 2.428 20.021 5.999 1.00 0.00 C ATOM 619 NH1 ARG A 39 1.266 19.454 5.826 1.00 0.00 N ATOM 620 NH2 ARG A 39 3.268 19.537 6.871 1.00 0.00 N ATOM 0 H ARG A 39 -0.351 20.174 2.201 1.00 0.00 H new ATOM 0 HA ARG A 39 0.003 22.885 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.570 21.214 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.152 22.622 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.270 19.990 3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.931 20.507 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.081 22.701 4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.819 21.627 4.691 1.00 0.00 H new ATOM 0 HE ARG A 39 3.670 21.527 5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.611 19.832 5.142 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.013 18.633 6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.177 19.980 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.016 18.716 7.421 1.00 0.00 H new ATOM 634 N CYS A 40 -1.011 22.282 -0.148 1.00 0.00 N ATOM 635 CA CYS A 40 -1.506 22.912 -1.367 1.00 0.00 C ATOM 636 C CYS A 40 -2.561 23.965 -1.040 1.00 0.00 C ATOM 637 O CYS A 40 -2.604 25.027 -1.659 1.00 0.00 O ATOM 638 CB CYS A 40 -2.112 21.855 -2.292 1.00 0.00 C ATOM 639 SG CYS A 40 -3.870 21.653 -1.908 1.00 0.00 S ATOM 0 H CYS A 40 -1.152 21.273 -0.103 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.667 23.397 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.988 22.153 -3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.590 20.906 -2.168 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.002 20.868 -0.880 1.00 0.00 H new ATOM 645 N ARG A 41 -3.411 23.657 -0.067 1.00 0.00 N ATOM 646 CA ARG A 41 -4.469 24.580 0.334 1.00 0.00 C ATOM 647 C ARG A 41 -3.885 25.880 0.878 1.00 0.00 C ATOM 648 O ARG A 41 -4.341 26.968 0.528 1.00 0.00 O ATOM 649 CB ARG A 41 -5.343 23.932 1.410 1.00 0.00 C ATOM 650 CG ARG A 41 -6.131 22.769 0.804 1.00 0.00 C ATOM 651 CD ARG A 41 -6.754 21.938 1.927 1.00 0.00 C ATOM 652 NE ARG A 41 -7.740 21.007 1.387 1.00 0.00 N ATOM 653 CZ ARG A 41 -9.014 21.358 1.231 1.00 0.00 C ATOM 654 NH1 ARG A 41 -9.406 22.566 1.541 1.00 0.00 N ATOM 655 NH2 ARG A 41 -9.876 20.496 0.766 1.00 0.00 N ATOM 0 H ARG A 41 -3.390 22.782 0.456 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.070 24.808 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.721 23.574 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.028 24.669 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.910 23.148 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.473 22.146 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.975 21.387 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.227 22.597 2.655 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.446 20.067 1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.735 23.243 1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.383 22.832 1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.573 19.553 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.853 20.765 0.646 1.00 0.00 H new ATOM 669 N CYS A 42 -2.880 25.760 1.739 1.00 0.00 N ATOM 670 CA CYS A 42 -2.252 26.935 2.331 1.00 0.00 C ATOM 671 C CYS A 42 -1.272 27.584 1.355 1.00 0.00 C ATOM 672 O CYS A 42 -1.108 28.803 1.348 1.00 0.00 O ATOM 673 CB CYS A 42 -1.517 26.538 3.616 1.00 0.00 C ATOM 674 SG CYS A 42 -2.686 26.526 5.001 1.00 0.00 S ATOM 0 H CYS A 42 -2.486 24.869 2.040 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.033 27.659 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.065 25.553 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.707 27.239 3.816 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.064 26.187 6.091 1.00 0.00 H new ATOM 680 N LYS A 43 -0.621 26.763 0.537 1.00 0.00 N ATOM 681 CA LYS A 43 0.345 27.270 -0.434 1.00 0.00 C ATOM 682 C LYS A 43 -0.351 27.982 -1.592 1.00 0.00 C ATOM 683 O LYS A 43 0.210 28.895 -2.197 1.00 0.00 O ATOM 684 CB LYS A 43 1.182 26.116 -0.992 1.00 0.00 C ATOM 685 CG LYS A 43 2.121 25.583 0.093 1.00 0.00 C ATOM 686 CD LYS A 43 3.568 25.968 -0.235 1.00 0.00 C ATOM 687 CE LYS A 43 4.035 25.234 -1.499 1.00 0.00 C ATOM 688 NZ LYS A 43 4.408 26.233 -2.539 1.00 0.00 N ATOM 0 H LYS A 43 -0.743 25.750 0.526 1.00 0.00 H new ATOM 0 HA LYS A 43 0.987 27.984 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.528 25.318 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.760 26.457 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.838 25.991 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.031 24.499 0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.641 27.045 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.218 25.716 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.888 24.596 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.242 24.584 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.380 25.785 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.737 27.027 -2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.368 26.586 -2.353 1.00 0.00 H new ATOM 702 N PHE A 44 -1.563 27.543 -1.911 1.00 0.00 N ATOM 703 CA PHE A 44 -2.312 28.128 -3.019 1.00 0.00 C ATOM 704 C PHE A 44 -2.687 29.584 -2.752 1.00 0.00 C ATOM 705 O PHE A 44 -2.513 30.441 -3.618 1.00 0.00 O ATOM 706 CB PHE A 44 -3.584 27.320 -3.267 1.00 0.00 C ATOM 707 CG PHE A 44 -4.621 28.209 -3.914 1.00 0.00 C ATOM 708 CD1 PHE A 44 -4.511 28.546 -5.270 1.00 0.00 C ATOM 709 CD2 PHE A 44 -5.693 28.700 -3.157 1.00 0.00 C ATOM 710 CE1 PHE A 44 -5.471 29.371 -5.868 1.00 0.00 C ATOM 711 CE2 PHE A 44 -6.652 29.526 -3.755 1.00 0.00 C ATOM 712 CZ PHE A 44 -6.541 29.861 -5.111 1.00 0.00 C ATOM 0 H PHE A 44 -2.046 26.789 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.668 28.101 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.367 26.467 -3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.965 26.922 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.685 28.169 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.779 28.441 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.386 29.629 -6.913 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.478 29.905 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.282 30.498 -5.572 1.00 0.00 H new ATOM 722 N ASN A 45 -3.214 29.862 -1.566 1.00 0.00 N ATOM 723 CA ASN A 45 -3.615 31.225 -1.233 1.00 0.00 C ATOM 724 C ASN A 45 -2.402 32.087 -0.907 1.00 0.00 C ATOM 725 O ASN A 45 -1.780 31.930 0.143 1.00 0.00 O ATOM 726 CB ASN A 45 -4.568 31.221 -0.037 1.00 0.00 C ATOM 727 CG ASN A 45 -5.863 31.941 -0.399 1.00 0.00 C ATOM 728 OD1 ASN A 45 -6.842 31.303 -0.787 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.928 33.241 -0.294 1.00 0.00 N ATOM 0 H ASN A 45 -3.372 29.175 -0.829 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.122 31.645 -2.102 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.784 30.196 0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.097 31.710 0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.791 33.729 -0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.116 33.768 0.028 1.00 0.00 H new ATOM 736 N GLN A 46 -2.080 33.006 -1.809 1.00 0.00 N ATOM 737 CA GLN A 46 -0.949 33.898 -1.600 1.00 0.00 C ATOM 738 C GLN A 46 -1.142 34.691 -0.312 1.00 0.00 C ATOM 739 O GLN A 46 -0.178 35.038 0.370 1.00 0.00 O ATOM 740 CB GLN A 46 -0.817 34.857 -2.785 1.00 0.00 C ATOM 741 CG GLN A 46 0.475 35.665 -2.651 1.00 0.00 C ATOM 742 CD GLN A 46 0.651 36.568 -3.867 1.00 0.00 C ATOM 743 OE1 GLN A 46 -0.306 37.197 -4.318 1.00 0.00 O ATOM 744 NE2 GLN A 46 1.825 36.670 -4.428 1.00 0.00 N ATOM 0 H GLN A 46 -2.582 33.152 -2.685 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.039 33.304 -1.518 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.812 34.297 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.675 35.528 -2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.446 36.266 -1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.327 34.992 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.617 36.148 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.951 37.272 -5.242 1.00 0.00 H new ATOM 753 N GLN A 47 -2.400 34.969 0.015 1.00 0.00 N ATOM 754 CA GLN A 47 -2.720 35.715 1.225 1.00 0.00 C ATOM 755 C GLN A 47 -2.254 34.952 2.462 1.00 0.00 C ATOM 756 O GLN A 47 -1.741 35.543 3.412 1.00 0.00 O ATOM 757 CB GLN A 47 -4.230 35.946 1.307 1.00 0.00 C ATOM 758 CG GLN A 47 -4.541 36.914 2.450 1.00 0.00 C ATOM 759 CD GLN A 47 -6.035 37.215 2.486 1.00 0.00 C ATOM 760 OE1 GLN A 47 -6.783 36.755 1.624 1.00 0.00 O ATOM 761 NE2 GLN A 47 -6.517 37.967 3.439 1.00 0.00 N ATOM 0 H GLN A 47 -3.210 34.690 -0.538 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.205 36.675 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.598 36.351 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.744 34.999 1.469 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.226 36.482 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.978 37.838 2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.895 38.347 4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.515 38.174 3.470 1.00 0.00 H new ATOM 770 N GLN A 48 -2.441 33.636 2.440 1.00 0.00 N ATOM 771 CA GLN A 48 -2.040 32.799 3.564 1.00 0.00 C ATOM 772 C GLN A 48 -0.519 32.708 3.654 1.00 0.00 C ATOM 773 O GLN A 48 0.056 32.840 4.736 1.00 0.00 O ATOM 774 CB GLN A 48 -2.628 31.396 3.403 1.00 0.00 C ATOM 775 CG GLN A 48 -2.576 30.660 4.742 1.00 0.00 C ATOM 776 CD GLN A 48 -3.848 30.938 5.536 1.00 0.00 C ATOM 777 OE1 GLN A 48 -4.310 32.078 5.592 1.00 0.00 O ATOM 778 NE2 GLN A 48 -4.448 29.958 6.154 1.00 0.00 N ATOM 0 H GLN A 48 -2.864 33.130 1.662 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.418 33.251 4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.658 31.461 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.069 30.841 2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.468 29.588 4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.704 30.983 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.064 29.014 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.301 30.136 6.684 1.00 0.00 H new ATOM 787 N ARG A 49 0.125 32.482 2.512 1.00 0.00 N ATOM 788 CA ARG A 49 1.582 32.372 2.469 1.00 0.00 C ATOM 789 C ARG A 49 2.153 33.195 1.318 1.00 0.00 C ATOM 790 O ARG A 49 1.506 33.372 0.286 1.00 0.00 O ATOM 791 CB ARG A 49 1.992 30.907 2.299 1.00 0.00 C ATOM 792 CG ARG A 49 1.769 30.154 3.613 1.00 0.00 C ATOM 793 CD ARG A 49 3.043 30.210 4.460 1.00 0.00 C ATOM 794 NE ARG A 49 2.768 29.741 5.813 1.00 0.00 N ATOM 795 CZ ARG A 49 2.582 28.451 6.069 1.00 0.00 C ATOM 796 NH1 ARG A 49 2.648 27.577 5.102 1.00 0.00 N ATOM 797 NH2 ARG A 49 2.335 28.056 7.288 1.00 0.00 N ATOM 0 H ARG A 49 -0.335 32.372 1.608 1.00 0.00 H new ATOM 0 HA ARG A 49 1.980 32.757 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.409 30.446 1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.040 30.844 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.937 30.596 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.501 29.117 3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.819 29.595 4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.423 31.231 4.491 1.00 0.00 H new ATOM 0 HE ARG A 49 2.718 30.416 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.843 27.884 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.505 26.586 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.285 28.738 8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.192 27.065 7.484 1.00 0.00 H new ATOM 811 N THR A 50 3.372 33.692 1.504 1.00 0.00 N ATOM 812 CA THR A 50 4.029 34.494 0.478 1.00 0.00 C ATOM 813 C THR A 50 4.139 33.711 -0.829 1.00 0.00 C ATOM 814 O THR A 50 4.072 34.286 -1.915 1.00 0.00 O ATOM 815 CB THR A 50 5.429 34.896 0.948 1.00 0.00 C ATOM 816 OG1 THR A 50 5.338 35.533 2.215 1.00 0.00 O ATOM 817 CG2 THR A 50 6.055 35.857 -0.063 1.00 0.00 C ATOM 0 H THR A 50 3.923 33.554 2.352 1.00 0.00 H new ATOM 0 HA THR A 50 3.430 35.388 0.305 1.00 0.00 H new ATOM 0 HB THR A 50 6.052 34.005 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.234 35.789 2.517 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.052 36.141 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.127 35.367 -1.034 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.434 36.748 -0.151 1.00 0.00 H new ATOM 825 N GLY A 51 4.312 32.399 -0.714 1.00 0.00 N ATOM 826 CA GLY A 51 4.435 31.547 -1.892 1.00 0.00 C ATOM 827 C GLY A 51 3.303 31.808 -2.878 1.00 0.00 C ATOM 828 O GLY A 51 2.187 32.145 -2.484 1.00 0.00 O ATOM 0 H GLY A 51 4.370 31.904 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.394 31.729 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.424 30.500 -1.590 1.00 0.00 H new ATOM 832 N GLU A 52 3.600 31.649 -4.163 1.00 0.00 N ATOM 833 CA GLU A 52 2.600 31.870 -5.201 1.00 0.00 C ATOM 834 C GLU A 52 1.960 30.541 -5.616 1.00 0.00 C ATOM 835 O GLU A 52 2.548 29.478 -5.423 1.00 0.00 O ATOM 836 CB GLU A 52 3.242 32.534 -6.424 1.00 0.00 C ATOM 837 CG GLU A 52 4.752 32.672 -6.209 1.00 0.00 C ATOM 838 CD GLU A 52 5.391 33.331 -7.426 1.00 0.00 C ATOM 839 OE1 GLU A 52 5.239 32.797 -8.512 1.00 0.00 O ATOM 840 OE2 GLU A 52 6.023 34.360 -7.255 1.00 0.00 O ATOM 0 H GLU A 52 4.518 31.370 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 52 1.829 32.528 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.046 31.940 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.798 33.516 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.948 33.267 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.195 31.691 -6.041 1.00 0.00 H new ATOM 847 N PRO A 53 0.774 30.579 -6.178 1.00 0.00 N ATOM 848 CA PRO A 53 0.057 29.352 -6.620 1.00 0.00 C ATOM 849 C PRO A 53 1.006 28.302 -7.193 1.00 0.00 C ATOM 850 O PRO A 53 2.057 28.635 -7.741 1.00 0.00 O ATOM 851 CB PRO A 53 -0.894 29.876 -7.694 1.00 0.00 C ATOM 852 CG PRO A 53 -1.190 31.291 -7.312 1.00 0.00 C ATOM 853 CD PRO A 53 -0.017 31.790 -6.460 1.00 0.00 C ATOM 0 HA PRO A 53 -0.449 28.847 -5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.437 29.824 -8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.807 29.281 -7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.311 31.911 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.124 31.350 -6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.573 32.534 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.366 32.260 -5.540 1.00 0.00 H new ATOM 861 N ASP A 54 0.628 27.033 -7.062 1.00 0.00 N ATOM 862 CA ASP A 54 1.455 25.944 -7.571 1.00 0.00 C ATOM 863 C ASP A 54 0.653 24.648 -7.647 1.00 0.00 C ATOM 864 O ASP A 54 -0.461 24.564 -7.128 1.00 0.00 O ATOM 865 CB ASP A 54 2.667 25.740 -6.661 1.00 0.00 C ATOM 866 CG ASP A 54 2.300 24.815 -5.506 1.00 0.00 C ATOM 867 OD1 ASP A 54 1.443 25.190 -4.723 1.00 0.00 O ATOM 868 OD2 ASP A 54 2.882 23.746 -5.421 1.00 0.00 O ATOM 0 H ASP A 54 -0.238 26.736 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 54 1.791 26.209 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.493 25.314 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.008 26.700 -6.275 1.00 0.00 H new ATOM 873 N GLU A 55 1.230 23.638 -8.292 1.00 0.00 N ATOM 874 CA GLU A 55 0.563 22.349 -8.428 1.00 0.00 C ATOM 875 C GLU A 55 -0.654 22.468 -9.340 1.00 0.00 C ATOM 876 O GLU A 55 -1.289 21.468 -9.676 1.00 0.00 O ATOM 877 CB GLU A 55 0.122 21.843 -7.050 1.00 0.00 C ATOM 878 CG GLU A 55 0.377 20.338 -6.950 1.00 0.00 C ATOM 879 CD GLU A 55 1.874 20.069 -6.827 1.00 0.00 C ATOM 880 OE1 GLU A 55 2.585 20.967 -6.408 1.00 0.00 O ATOM 881 OE2 GLU A 55 2.285 18.968 -7.153 1.00 0.00 O ATOM 0 H GLU A 55 2.152 23.687 -8.726 1.00 0.00 H new ATOM 0 HA GLU A 55 1.265 21.642 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.669 22.368 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.936 22.054 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.146 19.929 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.020 19.834 -7.831 1.00 0.00 H new ATOM 888 N GLU A 56 -0.976 23.697 -9.731 1.00 0.00 N ATOM 889 CA GLU A 56 -2.123 23.939 -10.600 1.00 0.00 C ATOM 890 C GLU A 56 -3.396 23.382 -9.970 1.00 0.00 C ATOM 891 O GLU A 56 -4.466 23.419 -10.578 1.00 0.00 O ATOM 892 CB GLU A 56 -1.898 23.287 -11.967 1.00 0.00 C ATOM 893 CG GLU A 56 -0.616 23.842 -12.592 1.00 0.00 C ATOM 894 CD GLU A 56 -0.435 23.279 -13.998 1.00 0.00 C ATOM 895 OE1 GLU A 56 -1.033 22.255 -14.287 1.00 0.00 O ATOM 896 OE2 GLU A 56 0.298 23.881 -14.767 1.00 0.00 O ATOM 0 H GLU A 56 -0.463 24.536 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.234 25.016 -10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.823 22.205 -11.858 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.748 23.484 -12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.662 24.930 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.243 23.581 -11.973 1.00 0.00 H new ATOM 903 N GLU A 57 -3.276 22.870 -8.747 1.00 0.00 N ATOM 904 CA GLU A 57 -4.427 22.313 -8.049 1.00 0.00 C ATOM 905 C GLU A 57 -5.341 23.430 -7.559 1.00 0.00 C ATOM 906 O GLU A 57 -6.475 23.563 -8.017 1.00 0.00 O ATOM 907 CB GLU A 57 -3.966 21.467 -6.858 1.00 0.00 C ATOM 908 CG GLU A 57 -3.315 20.176 -7.361 1.00 0.00 C ATOM 909 CD GLU A 57 -2.998 19.260 -6.184 1.00 0.00 C ATOM 910 OE1 GLU A 57 -3.160 19.698 -5.056 1.00 0.00 O ATOM 911 OE2 GLU A 57 -2.598 18.133 -6.427 1.00 0.00 O ATOM 0 H GLU A 57 -2.401 22.830 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.979 21.681 -8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.257 22.031 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.815 21.231 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.983 19.669 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.401 20.409 -7.908 1.00 0.00 H new ATOM 918 N GLY A 58 -4.840 24.233 -6.627 1.00 0.00 N ATOM 919 CA GLY A 58 -5.628 25.334 -6.084 1.00 0.00 C ATOM 920 C GLY A 58 -6.725 24.810 -5.167 1.00 0.00 C ATOM 921 O GLY A 58 -6.629 23.702 -4.641 1.00 0.00 O ATOM 0 H GLY A 58 -3.902 24.145 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.980 26.014 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.071 25.907 -6.899 1.00 0.00 H new ATOM 925 N THR A 59 -7.771 25.606 -4.984 1.00 0.00 N ATOM 926 CA THR A 59 -8.881 25.197 -4.134 1.00 0.00 C ATOM 927 C THR A 59 -9.712 24.133 -4.838 1.00 0.00 C ATOM 928 O THR A 59 -10.941 24.151 -4.782 1.00 0.00 O ATOM 929 CB THR A 59 -9.767 26.399 -3.799 1.00 0.00 C ATOM 930 OG1 THR A 59 -10.643 26.661 -4.887 1.00 0.00 O ATOM 931 CG2 THR A 59 -8.891 27.624 -3.538 1.00 0.00 C ATOM 0 H THR A 59 -7.874 26.528 -5.408 1.00 0.00 H new ATOM 0 HA THR A 59 -8.475 24.786 -3.209 1.00 0.00 H new ATOM 0 HB THR A 59 -10.354 26.179 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.314 25.949 -4.946 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.523 28.479 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.223 27.422 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.301 27.846 -4.427 1.00 0.00 H new ATOM 939 N PHE A 60 -9.029 23.206 -5.500 1.00 0.00 N ATOM 940 CA PHE A 60 -9.718 22.133 -6.212 1.00 0.00 C ATOM 941 C PHE A 60 -10.379 21.194 -5.217 1.00 0.00 C ATOM 942 O PHE A 60 -11.532 20.799 -5.384 1.00 0.00 O ATOM 943 CB PHE A 60 -8.730 21.350 -7.077 1.00 0.00 C ATOM 944 CG PHE A 60 -9.474 20.300 -7.865 1.00 0.00 C ATOM 945 CD1 PHE A 60 -10.156 20.656 -9.035 1.00 0.00 C ATOM 946 CD2 PHE A 60 -9.483 18.971 -7.426 1.00 0.00 C ATOM 947 CE1 PHE A 60 -10.846 19.683 -9.766 1.00 0.00 C ATOM 948 CE2 PHE A 60 -10.173 17.998 -8.157 1.00 0.00 C ATOM 949 CZ PHE A 60 -10.855 18.353 -9.328 1.00 0.00 C ATOM 0 H PHE A 60 -8.011 23.174 -5.559 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.480 22.574 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.208 22.026 -7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.973 20.880 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.149 21.682 -9.373 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.957 18.697 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.372 19.958 -10.668 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.180 16.973 -7.818 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.387 17.602 -9.892 1.00 0.00 H new ATOM 959 N ARG A 61 -9.637 20.857 -4.172 1.00 0.00 N ATOM 960 CA ARG A 61 -10.148 19.984 -3.130 1.00 0.00 C ATOM 961 C ARG A 61 -11.370 20.623 -2.483 1.00 0.00 C ATOM 962 O ARG A 61 -12.289 19.934 -2.043 1.00 0.00 O ATOM 963 CB ARG A 61 -9.060 19.724 -2.088 1.00 0.00 C ATOM 964 CG ARG A 61 -7.936 18.918 -2.745 1.00 0.00 C ATOM 965 CD ARG A 61 -6.755 18.784 -1.785 1.00 0.00 C ATOM 966 NE ARG A 61 -5.577 18.330 -2.518 1.00 0.00 N ATOM 967 CZ ARG A 61 -5.458 17.066 -2.912 1.00 0.00 C ATOM 968 NH1 ARG A 61 -6.385 16.197 -2.609 1.00 0.00 N ATOM 969 NH2 ARG A 61 -4.408 16.691 -3.591 1.00 0.00 N ATOM 0 H ARG A 61 -8.679 21.176 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.441 19.029 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.673 20.667 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.472 19.177 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.302 17.930 -3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.614 19.410 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.551 19.742 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.997 18.077 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.833 18.994 -2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.200 16.488 -2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.293 15.227 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.680 17.368 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.316 15.721 -3.894 1.00 0.00 H new ATOM 983 N SER A 62 -11.366 21.951 -2.432 1.00 0.00 N ATOM 984 CA SER A 62 -12.473 22.690 -1.841 1.00 0.00 C ATOM 985 C SER A 62 -13.767 22.400 -2.596 1.00 0.00 C ATOM 986 O SER A 62 -14.843 22.378 -2.005 1.00 0.00 O ATOM 987 CB SER A 62 -12.181 24.190 -1.880 1.00 0.00 C ATOM 988 OG SER A 62 -10.852 24.420 -1.434 1.00 0.00 O ATOM 0 H SER A 62 -10.611 22.535 -2.792 1.00 0.00 H new ATOM 0 HA SER A 62 -12.588 22.372 -0.805 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.308 24.571 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.888 24.727 -1.247 1.00 0.00 H new ATOM 0 HG SER A 62 -10.830 25.222 -0.871 1.00 0.00 H new ATOM 994 N SER A 63 -13.661 22.172 -3.901 1.00 0.00 N ATOM 995 CA SER A 63 -14.844 21.878 -4.698 1.00 0.00 C ATOM 996 C SER A 63 -15.465 20.569 -4.226 1.00 0.00 C ATOM 997 O SER A 63 -16.676 20.370 -4.322 1.00 0.00 O ATOM 998 CB SER A 63 -14.473 21.763 -6.176 1.00 0.00 C ATOM 999 OG SER A 63 -14.235 20.396 -6.493 1.00 0.00 O ATOM 0 H SER A 63 -12.784 22.185 -4.421 1.00 0.00 H new ATOM 0 HA SER A 63 -15.561 22.690 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.277 22.158 -6.797 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.585 22.358 -6.388 1.00 0.00 H new ATOM 0 HG SER A 63 -13.322 20.154 -6.232 1.00 0.00 H new ATOM 1005 N ILE A 64 -14.622 19.685 -3.701 1.00 0.00 N ATOM 1006 CA ILE A 64 -15.089 18.401 -3.196 1.00 0.00 C ATOM 1007 C ILE A 64 -15.939 18.603 -1.947 1.00 0.00 C ATOM 1008 O ILE A 64 -16.884 17.853 -1.704 1.00 0.00 O ATOM 1009 CB ILE A 64 -13.902 17.486 -2.881 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -12.944 17.475 -4.075 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -14.405 16.062 -2.626 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -11.737 16.590 -3.758 1.00 0.00 C ATOM 0 H ILE A 64 -13.617 19.834 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.699 17.928 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.385 17.853 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.457 17.103 -4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -12.615 18.490 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.559 15.412 -2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.094 16.065 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.920 15.694 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -11.057 16.584 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.219 16.981 -2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.074 15.573 -3.556 1.00 0.00 H new ATOM 1024 N ARG A 65 -15.605 19.624 -1.154 1.00 0.00 N ATOM 1025 CA ARG A 65 -16.366 19.894 0.062 1.00 0.00 C ATOM 1026 C ARG A 65 -17.825 20.123 -0.297 1.00 0.00 C ATOM 1027 O ARG A 65 -18.724 19.789 0.474 1.00 0.00 O ATOM 1028 CB ARG A 65 -15.820 21.126 0.796 1.00 0.00 C ATOM 1029 CG ARG A 65 -14.421 20.834 1.347 1.00 0.00 C ATOM 1030 CD ARG A 65 -14.033 21.922 2.353 1.00 0.00 C ATOM 1031 NE ARG A 65 -14.096 23.239 1.728 1.00 0.00 N ATOM 1032 CZ ARG A 65 -14.142 24.350 2.460 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -14.143 24.277 3.763 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -14.189 25.515 1.872 1.00 0.00 N ATOM 0 H ARG A 65 -14.830 20.263 -1.328 1.00 0.00 H new ATOM 0 HA ARG A 65 -16.273 19.033 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.781 21.977 0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -16.490 21.400 1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.404 19.856 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.697 20.801 0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.703 21.888 3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.026 21.738 2.727 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.105 23.310 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.108 23.367 4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.178 25.130 4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.190 25.573 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.224 26.367 2.431 1.00 0.00 H new ATOM 1048 N ARG A 66 -18.057 20.664 -1.489 1.00 0.00 N ATOM 1049 CA ARG A 66 -19.413 20.891 -1.950 1.00 0.00 C ATOM 1050 C ARG A 66 -20.159 19.568 -1.899 1.00 0.00 C ATOM 1051 O ARG A 66 -21.353 19.520 -1.615 1.00 0.00 O ATOM 1052 CB ARG A 66 -19.397 21.432 -3.382 1.00 0.00 C ATOM 1053 CG ARG A 66 -18.502 22.672 -3.447 1.00 0.00 C ATOM 1054 CD ARG A 66 -18.424 23.168 -4.891 1.00 0.00 C ATOM 1055 NE ARG A 66 -17.774 22.167 -5.732 1.00 0.00 N ATOM 1056 CZ ARG A 66 -18.019 22.098 -7.038 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.850 22.936 -7.595 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -17.424 21.193 -7.765 1.00 0.00 N ATOM 0 H ARG A 66 -17.329 20.949 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.908 21.625 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.029 20.668 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -20.409 21.683 -3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.901 23.456 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.504 22.433 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.426 23.375 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.868 24.105 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.120 21.508 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.314 23.647 -7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.036 22.880 -8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.772 20.539 -7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.611 21.139 -8.766 1.00 0.00 H new ATOM 1072 N LEU A 67 -19.422 18.497 -2.173 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.979 17.151 -2.161 1.00 0.00 C ATOM 1074 C LEU A 67 -20.618 16.838 -0.810 1.00 0.00 C ATOM 1075 O LEU A 67 -21.472 15.957 -0.709 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.863 16.139 -2.434 1.00 0.00 C ATOM 1077 CG LEU A 67 -19.474 14.818 -2.904 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -19.471 14.772 -4.432 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.647 13.653 -2.357 1.00 0.00 C ATOM 0 H LEU A 67 -18.430 18.537 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.745 17.087 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.183 16.527 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.275 15.978 -1.531 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.498 14.740 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.906 13.831 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.058 15.603 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -18.447 14.849 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.081 12.710 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -17.623 13.731 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.647 13.687 -1.268 1.00 0.00 H new ATOM 1091 N SER A 68 -20.191 17.551 0.227 1.00 0.00 N ATOM 1092 CA SER A 68 -20.722 17.320 1.567 1.00 0.00 C ATOM 1093 C SER A 68 -22.160 17.826 1.703 1.00 0.00 C ATOM 1094 O SER A 68 -23.023 17.113 2.214 1.00 0.00 O ATOM 1095 CB SER A 68 -19.836 18.012 2.605 1.00 0.00 C ATOM 1096 OG SER A 68 -19.958 19.421 2.464 1.00 0.00 O ATOM 0 H SER A 68 -19.486 18.286 0.168 1.00 0.00 H new ATOM 0 HA SER A 68 -20.726 16.244 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.129 17.709 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.797 17.710 2.472 1.00 0.00 H new ATOM 0 HG SER A 68 -19.852 19.666 1.521 1.00 0.00 H new ATOM 1102 N THR A 69 -22.408 19.058 1.255 1.00 0.00 N ATOM 1103 CA THR A 69 -23.749 19.643 1.349 1.00 0.00 C ATOM 1104 C THR A 69 -24.430 19.685 -0.019 1.00 0.00 C ATOM 1105 O THR A 69 -25.626 19.420 -0.136 1.00 0.00 O ATOM 1106 CB THR A 69 -23.649 21.061 1.918 1.00 0.00 C ATOM 1107 OG1 THR A 69 -22.814 21.847 1.079 1.00 0.00 O ATOM 1108 CG2 THR A 69 -23.054 21.006 3.326 1.00 0.00 C ATOM 0 H THR A 69 -21.708 19.665 0.828 1.00 0.00 H new ATOM 0 HA THR A 69 -24.351 19.019 2.010 1.00 0.00 H new ATOM 0 HB THR A 69 -24.643 21.507 1.963 1.00 0.00 H new ATOM 0 HG1 THR A 69 -22.750 22.756 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 69 -22.983 22.016 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 69 -23.695 20.402 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 69 -22.060 20.561 3.284 1.00 0.00 H new ATOM 1116 N ARG A 70 -23.655 20.007 -1.048 1.00 0.00 N ATOM 1117 CA ARG A 70 -24.178 20.071 -2.412 1.00 0.00 C ATOM 1118 C ARG A 70 -25.379 21.013 -2.522 1.00 0.00 C ATOM 1119 O ARG A 70 -25.300 22.181 -2.143 1.00 0.00 O ATOM 1120 CB ARG A 70 -24.566 18.667 -2.882 1.00 0.00 C ATOM 1121 CG ARG A 70 -23.315 17.798 -2.933 1.00 0.00 C ATOM 1122 CD ARG A 70 -23.683 16.388 -3.394 1.00 0.00 C ATOM 1123 NE ARG A 70 -24.261 16.431 -4.731 1.00 0.00 N ATOM 1124 CZ ARG A 70 -24.924 15.392 -5.225 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -25.062 14.309 -4.510 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -25.435 15.455 -6.423 1.00 0.00 N ATOM 0 H ARG A 70 -22.663 20.228 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 70 -23.391 20.470 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -25.299 18.232 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -25.032 18.715 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -22.585 18.235 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -22.848 17.759 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -22.796 15.754 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.393 15.943 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 70 -24.155 17.273 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -24.661 14.262 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -25.571 13.510 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -25.325 16.302 -6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -25.944 14.657 -6.803 1.00 0.00 H new ATOM 1140 N ARG A 71 -26.483 20.499 -3.065 1.00 0.00 N ATOM 1141 CA ARG A 71 -27.688 21.300 -3.252 1.00 0.00 C ATOM 1142 C ARG A 71 -28.129 21.964 -1.953 1.00 0.00 C ATOM 1143 O ARG A 71 -28.047 21.372 -0.876 1.00 0.00 O ATOM 1144 CB ARG A 71 -28.818 20.417 -3.785 1.00 0.00 C ATOM 1145 CG ARG A 71 -29.983 21.295 -4.247 1.00 0.00 C ATOM 1146 CD ARG A 71 -31.057 20.420 -4.898 1.00 0.00 C ATOM 1147 NE ARG A 71 -32.254 21.208 -5.171 1.00 0.00 N ATOM 1148 CZ ARG A 71 -33.172 21.410 -4.231 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -33.006 20.904 -3.039 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -34.236 22.117 -4.499 1.00 0.00 N ATOM 0 H ARG A 71 -26.565 19.533 -3.382 1.00 0.00 H new ATOM 0 HA ARG A 71 -27.458 22.086 -3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -28.457 19.809 -4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -29.153 19.730 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -30.404 21.835 -3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -29.629 22.043 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -30.675 19.993 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -31.304 19.586 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 71 -32.389 21.611 -6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -32.173 20.354 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -33.710 21.058 -2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -34.363 22.514 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -34.940 22.272 -3.778 1.00 0.00 H new ATOM 1164 N ARG A 72 -28.603 23.199 -2.072 1.00 0.00 N ATOM 1165 CA ARG A 72 -29.068 23.954 -0.916 1.00 0.00 C ATOM 1166 C ARG A 72 -29.861 23.054 0.028 1.00 0.00 C ATOM 1167 O ARG A 72 -30.870 22.521 -0.402 1.00 0.00 O ATOM 1168 CB ARG A 72 -29.949 25.114 -1.383 1.00 0.00 C ATOM 1169 CG ARG A 72 -30.310 26.003 -0.191 1.00 0.00 C ATOM 1170 CD ARG A 72 -31.181 27.166 -0.669 1.00 0.00 C ATOM 1171 NE ARG A 72 -31.428 28.097 0.427 1.00 0.00 N ATOM 1172 CZ ARG A 72 -31.808 29.348 0.193 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -31.964 29.765 -1.034 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -32.024 30.162 1.190 1.00 0.00 N ATOM 1175 OXT ARG A 72 -29.446 22.913 1.167 1.00 0.00 O ATOM 0 H ARG A 72 -28.675 23.698 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 72 -28.202 24.344 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -29.425 25.699 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -30.856 24.729 -1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -30.842 25.422 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -29.404 26.383 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.688 27.684 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.128 26.786 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 72 -31.307 27.782 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -31.794 29.130 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -32.256 30.726 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.901 29.838 2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.316 31.123 1.010 1.00 0.00 H new TER 1189 ARG A 72