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 48 GLN : amide:sc= -0.495 K(o=-0.69,f=-2.4) USER MOD Set 1.2: A 59 THR OG1 : rot 100:sc= -0.194 USER MOD Single : A 1 GLU N :NH3+ -171:sc= -0.276 (180deg=-0.617) USER MOD Single : A 2 SER OG : rot 180:sc= -0.48 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0329) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 37 SER OG : rot 73:sc= 0.792 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.739 USER MOD Single : A 42 CYS SG : rot 67:sc= 0.113 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= -1.64 (180deg=-1.99) USER MOD Single : A 45 ASN : amide:sc= -3.12! C(o=-3.1!,f=-2.8!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.0988 X(o=-0.099,f=-0.33) USER MOD Single : A 50 THR OG1 : rot 30:sc= 0.656 USER MOD Single : A 62 SER OG : rot -52:sc= -0.248 USER MOD Single : A 63 SER OG : rot -76:sc= 1.12 USER MOD Single : A 68 SER OG : rot 82:sc= 0.046 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.750 -29.483 10.727 1.00 0.00 N ATOM 2 CA GLU A 1 2.090 -30.411 11.842 1.00 0.00 C ATOM 3 C GLU A 1 3.207 -31.349 11.395 1.00 0.00 C ATOM 4 O GLU A 1 3.721 -32.137 12.189 1.00 0.00 O ATOM 5 CB GLU A 1 0.850 -31.220 12.226 1.00 0.00 C ATOM 6 CG GLU A 1 -0.239 -30.275 12.735 1.00 0.00 C ATOM 7 CD GLU A 1 -1.454 -31.076 13.190 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.477 -32.271 12.942 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.344 -30.484 13.778 1.00 0.00 O ATOM 0 H1 GLU A 1 1.101 -28.747 11.073 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.619 -29.038 10.369 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.292 -30.015 9.960 1.00 0.00 H new ATOM 0 HA GLU A 1 2.426 -29.840 12.708 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.487 -31.780 11.364 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.103 -31.949 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.144 -29.678 13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.526 -29.580 11.946 1.00 0.00 H new ATOM 18 N SER A 2 3.575 -31.257 10.119 1.00 0.00 N ATOM 19 CA SER A 2 4.633 -32.100 9.570 1.00 0.00 C ATOM 20 C SER A 2 5.611 -31.267 8.749 1.00 0.00 C ATOM 21 O SER A 2 5.809 -31.519 7.560 1.00 0.00 O ATOM 22 CB SER A 2 4.022 -33.188 8.687 1.00 0.00 C ATOM 23 OG SER A 2 4.940 -34.268 8.571 1.00 0.00 O ATOM 0 H SER A 2 3.158 -30.610 9.449 1.00 0.00 H new ATOM 0 HA SER A 2 5.173 -32.561 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.084 -33.538 9.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.790 -32.785 7.701 1.00 0.00 H new ATOM 0 HG SER A 2 4.551 -34.969 8.007 1.00 0.00 H new ATOM 29 N PRO A 3 6.222 -30.285 9.358 1.00 0.00 N ATOM 30 CA PRO A 3 7.203 -29.397 8.669 1.00 0.00 C ATOM 31 C PRO A 3 8.515 -30.114 8.366 1.00 0.00 C ATOM 32 O PRO A 3 9.350 -29.610 7.614 1.00 0.00 O ATOM 33 CB PRO A 3 7.421 -28.254 9.663 1.00 0.00 C ATOM 34 CG PRO A 3 7.088 -28.821 11.002 1.00 0.00 C ATOM 35 CD PRO A 3 6.046 -29.915 10.772 1.00 0.00 C ATOM 0 HA PRO A 3 6.837 -29.059 7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.451 -27.899 9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.783 -27.402 9.428 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.978 -29.229 11.481 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.697 -28.047 11.663 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.211 -30.768 11.431 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.037 -29.552 10.967 1.00 0.00 H new ATOM 43 N LYS A 4 8.690 -31.292 8.954 1.00 0.00 N ATOM 44 CA LYS A 4 9.905 -32.069 8.739 1.00 0.00 C ATOM 45 C LYS A 4 9.890 -32.714 7.357 1.00 0.00 C ATOM 46 O LYS A 4 10.890 -33.279 6.915 1.00 0.00 O ATOM 47 CB LYS A 4 10.027 -33.157 9.809 1.00 0.00 C ATOM 48 CG LYS A 4 9.836 -32.538 11.197 1.00 0.00 C ATOM 49 CD LYS A 4 10.932 -31.502 11.459 1.00 0.00 C ATOM 50 CE LYS A 4 11.087 -31.292 12.966 1.00 0.00 C ATOM 51 NZ LYS A 4 11.909 -32.395 13.540 1.00 0.00 N ATOM 0 H LYS A 4 8.012 -31.727 9.579 1.00 0.00 H new ATOM 0 HA LYS A 4 10.760 -31.396 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.280 -33.933 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.004 -33.636 9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.855 -32.068 11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.869 -33.316 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.875 -31.839 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.679 -30.559 10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.561 -30.330 13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.107 -31.268 13.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.171 -32.160 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.360 -33.278 13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.771 -32.518 12.971 1.00 0.00 H new ATOM 65 N GLU A 5 8.751 -32.623 6.678 1.00 0.00 N ATOM 66 CA GLU A 5 8.618 -33.201 5.347 1.00 0.00 C ATOM 67 C GLU A 5 9.468 -32.429 4.343 1.00 0.00 C ATOM 68 O GLU A 5 9.639 -31.216 4.462 1.00 0.00 O ATOM 69 CB GLU A 5 7.153 -33.175 4.906 1.00 0.00 C ATOM 70 CG GLU A 5 6.312 -34.019 5.866 1.00 0.00 C ATOM 71 CD GLU A 5 6.703 -35.489 5.753 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.342 -35.838 4.773 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.360 -36.245 6.647 1.00 0.00 O ATOM 0 H GLU A 5 7.912 -32.158 7.025 1.00 0.00 H new ATOM 0 HA GLU A 5 8.965 -34.234 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.786 -32.149 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.062 -33.561 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.458 -33.674 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.253 -33.898 5.637 1.00 0.00 H new ATOM 80 N HIS A 6 9.999 -33.141 3.355 1.00 0.00 N ATOM 81 CA HIS A 6 10.832 -32.514 2.335 1.00 0.00 C ATOM 82 C HIS A 6 9.968 -31.893 1.241 1.00 0.00 C ATOM 83 O HIS A 6 10.454 -31.110 0.424 1.00 0.00 O ATOM 84 CB HIS A 6 11.771 -33.552 1.717 1.00 0.00 C ATOM 85 CG HIS A 6 12.689 -34.093 2.778 1.00 0.00 C ATOM 86 ND1 HIS A 6 13.715 -33.335 3.323 1.00 0.00 N ATOM 87 CD2 HIS A 6 12.750 -35.313 3.404 1.00 0.00 C ATOM 88 CE1 HIS A 6 14.344 -34.101 4.235 1.00 0.00 C ATOM 89 NE2 HIS A 6 13.795 -35.316 4.324 1.00 0.00 N ATOM 0 H HIS A 6 9.869 -34.146 3.239 1.00 0.00 H new ATOM 0 HA HIS A 6 11.419 -31.727 2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 6 11.193 -34.363 1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 6 12.353 -33.099 0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 6 12.088 -36.144 3.212 1.00 0.00 H new ATOM 0 HE1 HIS A 6 15.189 -33.773 4.823 1.00 0.00 H new ATOM 0 HE2 HIS A 6 14.080 -36.081 4.935 1.00 0.00 H new ATOM 98 N ASP A 7 8.688 -32.248 1.230 1.00 0.00 N ATOM 99 CA ASP A 7 7.770 -31.719 0.229 1.00 0.00 C ATOM 100 C ASP A 7 7.504 -30.234 0.478 1.00 0.00 C ATOM 101 O ASP A 7 7.742 -29.732 1.577 1.00 0.00 O ATOM 102 CB ASP A 7 6.450 -32.493 0.277 1.00 0.00 C ATOM 103 CG ASP A 7 6.307 -33.358 -0.971 1.00 0.00 C ATOM 104 OD1 ASP A 7 7.285 -33.979 -1.353 1.00 0.00 O ATOM 105 OD2 ASP A 7 5.222 -33.386 -1.528 1.00 0.00 O ATOM 0 H ASP A 7 8.266 -32.894 1.897 1.00 0.00 H new ATOM 0 HA ASP A 7 8.224 -31.834 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.418 -33.119 1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.613 -31.798 0.345 1.00 0.00 H new ATOM 110 N PRO A 8 7.018 -29.527 -0.512 1.00 0.00 N ATOM 111 CA PRO A 8 6.719 -28.070 -0.386 1.00 0.00 C ATOM 112 C PRO A 8 5.520 -27.807 0.522 1.00 0.00 C ATOM 113 O PRO A 8 4.535 -28.546 0.494 1.00 0.00 O ATOM 114 CB PRO A 8 6.421 -27.629 -1.822 1.00 0.00 C ATOM 115 CG PRO A 8 5.986 -28.865 -2.534 1.00 0.00 C ATOM 116 CD PRO A 8 6.702 -30.034 -1.858 1.00 0.00 C ATOM 0 HA PRO A 8 7.546 -27.523 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.642 -26.867 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.304 -27.196 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.904 -28.986 -2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.243 -28.813 -3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.067 -30.919 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.604 -30.317 -2.400 1.00 0.00 H new ATOM 124 N PHE A 9 5.609 -26.750 1.322 1.00 0.00 N ATOM 125 CA PHE A 9 4.525 -26.397 2.231 1.00 0.00 C ATOM 126 C PHE A 9 3.715 -25.233 1.669 1.00 0.00 C ATOM 127 O PHE A 9 4.277 -24.230 1.227 1.00 0.00 O ATOM 128 CB PHE A 9 5.096 -26.012 3.598 1.00 0.00 C ATOM 129 CG PHE A 9 3.965 -25.827 4.582 1.00 0.00 C ATOM 130 CD1 PHE A 9 3.442 -26.933 5.264 1.00 0.00 C ATOM 131 CD2 PHE A 9 3.441 -24.550 4.813 1.00 0.00 C ATOM 132 CE1 PHE A 9 2.393 -26.760 6.176 1.00 0.00 C ATOM 133 CE2 PHE A 9 2.392 -24.378 5.725 1.00 0.00 C ATOM 134 CZ PHE A 9 1.869 -25.483 6.406 1.00 0.00 C ATOM 0 H PHE A 9 6.415 -26.126 1.360 1.00 0.00 H new ATOM 0 HA PHE A 9 3.870 -27.261 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.776 -26.787 3.951 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.675 -25.092 3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.847 -27.918 5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.845 -23.697 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.989 -27.612 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.987 -23.393 5.903 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.060 -25.350 7.110 1.00 0.00 H new ATOM 144 N THR A 10 2.391 -25.375 1.688 1.00 0.00 N ATOM 145 CA THR A 10 1.507 -24.331 1.177 1.00 0.00 C ATOM 146 C THR A 10 0.818 -23.603 2.327 1.00 0.00 C ATOM 147 O THR A 10 0.581 -24.184 3.386 1.00 0.00 O ATOM 148 CB THR A 10 0.452 -24.948 0.258 1.00 0.00 C ATOM 149 OG1 THR A 10 -0.429 -25.755 1.027 1.00 0.00 O ATOM 150 CG2 THR A 10 1.139 -25.806 -0.805 1.00 0.00 C ATOM 0 H THR A 10 1.909 -26.198 2.050 1.00 0.00 H new ATOM 0 HA THR A 10 2.106 -23.614 0.615 1.00 0.00 H new ATOM 0 HB THR A 10 -0.115 -24.155 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.107 -26.150 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.387 -26.246 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.814 -25.185 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.707 -26.600 -0.320 1.00 0.00 H new ATOM 158 N TYR A 11 0.501 -22.330 2.104 1.00 0.00 N ATOM 159 CA TYR A 11 -0.162 -21.517 3.121 1.00 0.00 C ATOM 160 C TYR A 11 -1.571 -21.147 2.674 1.00 0.00 C ATOM 161 O TYR A 11 -1.793 -20.812 1.512 1.00 0.00 O ATOM 162 CB TYR A 11 0.636 -20.236 3.368 1.00 0.00 C ATOM 163 CG TYR A 11 2.039 -20.587 3.806 1.00 0.00 C ATOM 164 CD1 TYR A 11 2.299 -20.878 5.151 1.00 0.00 C ATOM 165 CD2 TYR A 11 3.078 -20.616 2.869 1.00 0.00 C ATOM 166 CE1 TYR A 11 3.599 -21.200 5.557 1.00 0.00 C ATOM 167 CE2 TYR A 11 4.378 -20.939 3.276 1.00 0.00 C ATOM 168 CZ TYR A 11 4.638 -21.230 4.620 1.00 0.00 C ATOM 169 OH TYR A 11 5.919 -21.550 5.021 1.00 0.00 O ATOM 0 H TYR A 11 0.692 -21.840 1.230 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.219 -22.099 4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.668 -19.635 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.146 -19.633 4.132 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.497 -20.854 5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.877 -20.389 1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.800 -21.425 6.594 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.180 -20.964 2.553 1.00 0.00 H new ATOM 0 HH TYR A 11 6.520 -21.526 4.247 1.00 0.00 H new ATOM 179 N ASP A 12 -2.520 -21.202 3.604 1.00 0.00 N ATOM 180 CA ASP A 12 -3.902 -20.859 3.289 1.00 0.00 C ATOM 181 C ASP A 12 -4.085 -19.344 3.290 1.00 0.00 C ATOM 182 O ASP A 12 -5.138 -18.833 2.911 1.00 0.00 O ATOM 183 CB ASP A 12 -4.844 -21.491 4.316 1.00 0.00 C ATOM 184 CG ASP A 12 -4.537 -20.956 5.713 1.00 0.00 C ATOM 185 OD1 ASP A 12 -3.778 -20.004 5.810 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.064 -21.506 6.665 1.00 0.00 O ATOM 0 H ASP A 12 -2.359 -21.478 4.573 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.139 -21.244 2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.879 -21.272 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.734 -22.575 4.302 1.00 0.00 H new ATOM 191 N TYR A 13 -3.049 -18.634 3.724 1.00 0.00 N ATOM 192 CA TYR A 13 -3.091 -17.177 3.781 1.00 0.00 C ATOM 193 C TYR A 13 -2.689 -16.571 2.439 1.00 0.00 C ATOM 194 O TYR A 13 -2.108 -15.491 2.392 1.00 0.00 O ATOM 195 CB TYR A 13 -2.131 -16.678 4.862 1.00 0.00 C ATOM 196 CG TYR A 13 -2.487 -17.307 6.188 1.00 0.00 C ATOM 197 CD1 TYR A 13 -3.576 -16.822 6.923 1.00 0.00 C ATOM 198 CD2 TYR A 13 -1.725 -18.371 6.684 1.00 0.00 C ATOM 199 CE1 TYR A 13 -3.903 -17.403 8.154 1.00 0.00 C ATOM 200 CE2 TYR A 13 -2.053 -18.951 7.916 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.142 -18.467 8.651 1.00 0.00 C ATOM 202 OH TYR A 13 -3.465 -19.041 9.863 1.00 0.00 O ATOM 0 H TYR A 13 -2.170 -19.043 4.041 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.111 -16.872 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.104 -16.928 4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.185 -15.592 4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.163 -16.000 6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.885 -18.744 6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.743 -17.030 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.465 -19.772 8.299 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.837 -19.767 10.059 1.00 0.00 H new ATOM 212 N GLN A 14 -2.986 -17.277 1.357 1.00 0.00 N ATOM 213 CA GLN A 14 -2.624 -16.804 0.023 1.00 0.00 C ATOM 214 C GLN A 14 -3.085 -15.366 -0.213 1.00 0.00 C ATOM 215 O GLN A 14 -2.329 -14.543 -0.729 1.00 0.00 O ATOM 216 CB GLN A 14 -3.263 -17.707 -1.034 1.00 0.00 C ATOM 217 CG GLN A 14 -2.863 -19.162 -0.786 1.00 0.00 C ATOM 218 CD GLN A 14 -3.499 -20.062 -1.840 1.00 0.00 C ATOM 219 OE1 GLN A 14 -4.468 -19.667 -2.489 1.00 0.00 O ATOM 220 NE2 GLN A 14 -3.011 -21.252 -2.051 1.00 0.00 N ATOM 0 H GLN A 14 -3.473 -18.173 1.373 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.537 -16.834 -0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.348 -17.608 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.945 -17.398 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.778 -19.260 -0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.182 -19.471 0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.208 -21.577 -1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.432 -21.858 -2.755 1.00 0.00 H new ATOM 229 N SER A 15 -4.330 -15.073 0.141 1.00 0.00 N ATOM 230 CA SER A 15 -4.876 -13.732 -0.067 1.00 0.00 C ATOM 231 C SER A 15 -4.506 -12.778 1.070 1.00 0.00 C ATOM 232 O SER A 15 -4.350 -11.577 0.849 1.00 0.00 O ATOM 233 CB SER A 15 -6.396 -13.811 -0.186 1.00 0.00 C ATOM 234 OG SER A 15 -6.951 -14.126 1.086 1.00 0.00 O ATOM 0 H SER A 15 -4.977 -15.735 0.569 1.00 0.00 H new ATOM 0 HA SER A 15 -4.443 -13.339 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.794 -12.862 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.676 -14.570 -0.916 1.00 0.00 H new ATOM 0 HG SER A 15 -7.927 -14.176 1.014 1.00 0.00 H new ATOM 240 N LEU A 16 -4.387 -13.307 2.284 1.00 0.00 N ATOM 241 CA LEU A 16 -4.060 -12.471 3.439 1.00 0.00 C ATOM 242 C LEU A 16 -2.567 -12.145 3.507 1.00 0.00 C ATOM 243 O LEU A 16 -2.156 -11.287 4.287 1.00 0.00 O ATOM 244 CB LEU A 16 -4.485 -13.171 4.732 1.00 0.00 C ATOM 245 CG LEU A 16 -4.833 -12.123 5.792 1.00 0.00 C ATOM 246 CD1 LEU A 16 -6.306 -11.733 5.659 1.00 0.00 C ATOM 247 CD2 LEU A 16 -4.591 -12.705 7.187 1.00 0.00 C ATOM 0 H LEU A 16 -4.510 -14.297 2.495 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.605 -11.534 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.346 -13.813 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.681 -13.813 5.091 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.206 -11.243 5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.554 -10.987 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.485 -11.319 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.930 -12.615 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.839 -11.958 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.218 -13.585 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.543 -12.987 7.287 1.00 0.00 H new ATOM 259 N GLN A 17 -1.755 -12.830 2.705 1.00 0.00 N ATOM 260 CA GLN A 17 -0.313 -12.583 2.720 1.00 0.00 C ATOM 261 C GLN A 17 0.008 -11.164 2.253 1.00 0.00 C ATOM 262 O GLN A 17 0.721 -10.427 2.933 1.00 0.00 O ATOM 263 CB GLN A 17 0.414 -13.593 1.825 1.00 0.00 C ATOM 264 CG GLN A 17 1.911 -13.589 2.150 1.00 0.00 C ATOM 265 CD GLN A 17 2.662 -14.450 1.139 1.00 0.00 C ATOM 266 OE1 GLN A 17 2.053 -15.008 0.227 1.00 0.00 O ATOM 267 NE2 GLN A 17 3.954 -14.595 1.246 1.00 0.00 N ATOM 0 H GLN A 17 -2.062 -13.547 2.048 1.00 0.00 H new ATOM 0 HA GLN A 17 0.031 -12.698 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.002 -14.591 1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.259 -13.341 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.294 -12.569 2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.075 -13.970 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.458 -14.132 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.460 -15.171 0.573 1.00 0.00 H new ATOM 276 N ILE A 18 -0.512 -10.789 1.088 1.00 0.00 N ATOM 277 CA ILE A 18 -0.258 -9.455 0.544 1.00 0.00 C ATOM 278 C ILE A 18 -1.363 -8.479 0.951 1.00 0.00 C ATOM 279 O ILE A 18 -1.235 -7.268 0.774 1.00 0.00 O ATOM 280 CB ILE A 18 -0.177 -9.530 -0.986 1.00 0.00 C ATOM 281 CG1 ILE A 18 0.660 -10.746 -1.402 1.00 0.00 C ATOM 282 CG2 ILE A 18 0.473 -8.259 -1.543 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.988 -10.751 -0.641 1.00 0.00 C ATOM 0 H ILE A 18 -1.105 -11.381 0.507 1.00 0.00 H new ATOM 0 HA ILE A 18 0.688 -9.093 0.947 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.187 -9.624 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.110 -11.664 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.846 -10.720 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.525 -8.323 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.123 -7.391 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.479 -8.157 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.577 -11.618 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.541 -9.840 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.793 -10.799 0.430 1.00 0.00 H new ATOM 295 N GLY A 19 -2.451 -9.014 1.489 1.00 0.00 N ATOM 296 CA GLY A 19 -3.579 -8.186 1.907 1.00 0.00 C ATOM 297 C GLY A 19 -3.129 -6.926 2.651 1.00 0.00 C ATOM 298 O GLY A 19 -2.797 -5.913 2.035 1.00 0.00 O ATOM 0 H GLY A 19 -2.578 -10.014 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.161 -7.900 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.237 -8.770 2.550 1.00 0.00 H new ATOM 302 N GLY A 20 -3.147 -6.998 3.979 1.00 0.00 N ATOM 303 CA GLY A 20 -2.768 -5.865 4.823 1.00 0.00 C ATOM 304 C GLY A 20 -1.567 -5.097 4.272 1.00 0.00 C ATOM 305 O GLY A 20 -1.507 -3.872 4.384 1.00 0.00 O ATOM 0 H GLY A 20 -3.421 -7.833 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.616 -5.187 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.536 -6.225 5.825 1.00 0.00 H new ATOM 309 N LEU A 21 -0.607 -5.809 3.693 1.00 0.00 N ATOM 310 CA LEU A 21 0.582 -5.157 3.152 1.00 0.00 C ATOM 311 C LEU A 21 0.202 -4.064 2.158 1.00 0.00 C ATOM 312 O LEU A 21 0.678 -2.931 2.250 1.00 0.00 O ATOM 313 CB LEU A 21 1.471 -6.188 2.456 1.00 0.00 C ATOM 314 CG LEU A 21 2.518 -6.709 3.441 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.824 -7.274 4.680 1.00 0.00 C ATOM 316 CD2 LEU A 21 3.339 -7.813 2.770 1.00 0.00 C ATOM 0 H LEU A 21 -0.626 -6.823 3.586 1.00 0.00 H new ATOM 0 HA LEU A 21 1.125 -4.702 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.865 -7.014 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.961 -5.737 1.593 1.00 0.00 H new ATOM 0 HG LEU A 21 3.175 -5.891 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.573 -7.644 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.237 -6.489 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.166 -8.092 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.087 -8.187 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.679 -8.629 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.837 -7.411 1.888 1.00 0.00 H new ATOM 328 N VAL A 22 -0.650 -4.418 1.202 1.00 0.00 N ATOM 329 CA VAL A 22 -1.082 -3.467 0.184 1.00 0.00 C ATOM 330 C VAL A 22 -1.942 -2.360 0.785 1.00 0.00 C ATOM 331 O VAL A 22 -1.707 -1.182 0.525 1.00 0.00 O ATOM 332 CB VAL A 22 -1.877 -4.193 -0.901 1.00 0.00 C ATOM 333 CG1 VAL A 22 -2.310 -3.192 -1.978 1.00 0.00 C ATOM 334 CG2 VAL A 22 -0.994 -5.267 -1.539 1.00 0.00 C ATOM 0 H VAL A 22 -1.053 -5.350 1.111 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.190 -3.013 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.759 -4.654 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.877 -3.711 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.934 -2.420 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.428 -2.732 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.557 -5.788 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.115 -4.799 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.681 -5.980 -0.777 1.00 0.00 H new ATOM 344 N ILE A 23 -2.942 -2.744 1.579 1.00 0.00 N ATOM 345 CA ILE A 23 -3.837 -1.764 2.193 1.00 0.00 C ATOM 346 C ILE A 23 -3.047 -0.754 3.023 1.00 0.00 C ATOM 347 O ILE A 23 -3.265 0.454 2.924 1.00 0.00 O ATOM 348 CB ILE A 23 -4.873 -2.472 3.078 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.426 -3.704 2.347 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.026 -1.514 3.386 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.851 -3.319 0.929 1.00 0.00 C ATOM 0 H ILE A 23 -3.151 -3.715 1.810 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.354 -1.229 1.397 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.394 -2.783 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.668 -4.486 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.277 -4.111 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.760 -2.018 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.642 -0.638 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.499 -1.202 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.242 -4.197 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.624 -2.552 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.990 -2.933 0.383 1.00 0.00 H new ATOM 363 N ALA A 24 -2.122 -1.252 3.834 1.00 0.00 N ATOM 364 CA ALA A 24 -1.304 -0.379 4.667 1.00 0.00 C ATOM 365 C ALA A 24 -0.484 0.565 3.797 1.00 0.00 C ATOM 366 O ALA A 24 -0.241 1.715 4.164 1.00 0.00 O ATOM 367 CB ALA A 24 -0.369 -1.221 5.537 1.00 0.00 C ATOM 0 H ALA A 24 -1.920 -2.247 3.933 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.960 0.211 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.240 -0.564 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.960 -1.878 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.279 -1.821 4.899 1.00 0.00 H new ATOM 373 N GLY A 25 -0.056 0.064 2.647 1.00 0.00 N ATOM 374 CA GLY A 25 0.745 0.860 1.734 1.00 0.00 C ATOM 375 C GLY A 25 -0.026 2.053 1.177 1.00 0.00 C ATOM 376 O GLY A 25 0.534 3.137 1.049 1.00 0.00 O ATOM 0 H GLY A 25 -0.250 -0.885 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.636 1.216 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.084 0.232 0.910 1.00 0.00 H new ATOM 380 N ILE A 26 -1.297 1.855 0.822 1.00 0.00 N ATOM 381 CA ILE A 26 -2.081 2.951 0.250 1.00 0.00 C ATOM 382 C ILE A 26 -2.390 4.040 1.283 1.00 0.00 C ATOM 383 O ILE A 26 -2.365 5.224 0.953 1.00 0.00 O ATOM 384 CB ILE A 26 -3.377 2.433 -0.397 1.00 0.00 C ATOM 385 CG1 ILE A 26 -4.543 2.485 0.592 1.00 0.00 C ATOM 386 CG2 ILE A 26 -3.188 0.992 -0.864 1.00 0.00 C ATOM 387 CD1 ILE A 26 -5.697 1.637 0.050 1.00 0.00 C ATOM 0 H ILE A 26 -1.795 0.970 0.917 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.467 3.404 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.605 3.074 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.227 2.112 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.869 3.515 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.111 0.634 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.381 0.949 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.938 0.363 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.532 1.669 0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.017 2.031 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.365 0.606 -0.072 1.00 0.00 H new ATOM 399 N LEU A 27 -2.686 3.652 2.524 1.00 0.00 N ATOM 400 CA LEU A 27 -3.000 4.642 3.562 1.00 0.00 C ATOM 401 C LEU A 27 -1.792 5.534 3.865 1.00 0.00 C ATOM 402 O LEU A 27 -1.908 6.758 3.934 1.00 0.00 O ATOM 403 CB LEU A 27 -3.440 3.925 4.840 1.00 0.00 C ATOM 404 CG LEU A 27 -3.776 4.957 5.918 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.118 4.606 6.566 1.00 0.00 C ATOM 406 CD2 LEU A 27 -2.680 4.945 6.987 1.00 0.00 C ATOM 0 H LEU A 27 -2.716 2.681 2.834 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.807 5.275 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.310 3.300 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.647 3.264 5.190 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.840 5.947 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.355 5.343 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.900 4.608 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.055 3.617 7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.915 5.679 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.621 3.954 7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.723 5.194 6.529 1.00 0.00 H new ATOM 418 N PHE A 28 -0.643 4.901 4.053 1.00 0.00 N ATOM 419 CA PHE A 28 0.598 5.610 4.355 1.00 0.00 C ATOM 420 C PHE A 28 1.111 6.364 3.133 1.00 0.00 C ATOM 421 O PHE A 28 1.626 7.475 3.254 1.00 0.00 O ATOM 422 CB PHE A 28 1.656 4.612 4.823 1.00 0.00 C ATOM 423 CG PHE A 28 2.920 5.353 5.182 1.00 0.00 C ATOM 424 CD1 PHE A 28 3.009 6.036 6.400 1.00 0.00 C ATOM 425 CD2 PHE A 28 4.003 5.361 4.294 1.00 0.00 C ATOM 426 CE1 PHE A 28 4.181 6.727 6.733 1.00 0.00 C ATOM 427 CE2 PHE A 28 5.175 6.051 4.626 1.00 0.00 C ATOM 428 CZ PHE A 28 5.264 6.735 5.845 1.00 0.00 C ATOM 0 H PHE A 28 -0.542 3.887 4.002 1.00 0.00 H new ATOM 0 HA PHE A 28 0.396 6.334 5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.290 4.055 5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.859 3.885 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.173 6.030 7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.934 4.835 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.249 7.253 7.674 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.011 6.056 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.168 7.269 6.100 1.00 0.00 H new ATOM 438 N ILE A 29 0.951 5.766 1.954 1.00 0.00 N ATOM 439 CA ILE A 29 1.386 6.419 0.721 1.00 0.00 C ATOM 440 C ILE A 29 0.601 7.696 0.594 1.00 0.00 C ATOM 441 O ILE A 29 1.156 8.776 0.406 1.00 0.00 O ATOM 442 CB ILE A 29 1.138 5.528 -0.500 1.00 0.00 C ATOM 443 CG1 ILE A 29 2.303 4.550 -0.664 1.00 0.00 C ATOM 444 CG2 ILE A 29 1.022 6.396 -1.750 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.909 3.447 -1.646 1.00 0.00 C ATOM 0 H ILE A 29 0.530 4.846 1.826 1.00 0.00 H new ATOM 0 HA ILE A 29 2.457 6.615 0.762 1.00 0.00 H new ATOM 0 HB ILE A 29 0.212 4.970 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.185 5.077 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.566 4.116 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.846 5.761 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.191 7.092 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.947 6.956 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.739 2.750 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.039 2.914 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.668 3.889 -2.613 1.00 0.00 H new ATOM 457 N LEU A 30 -0.697 7.568 0.799 1.00 0.00 N ATOM 458 CA LEU A 30 -1.558 8.710 0.810 1.00 0.00 C ATOM 459 C LEU A 30 -1.039 9.579 1.914 1.00 0.00 C ATOM 460 O LEU A 30 -1.097 10.795 1.853 1.00 0.00 O ATOM 461 CB LEU A 30 -3.006 8.310 1.081 1.00 0.00 C ATOM 462 CG LEU A 30 -3.746 8.153 -0.247 1.00 0.00 C ATOM 463 CD1 LEU A 30 -4.936 7.216 -0.060 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.244 9.523 -0.718 1.00 0.00 C ATOM 0 H LEU A 30 -1.168 6.678 0.959 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.558 9.220 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.038 7.375 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.495 9.066 1.695 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.069 7.735 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.464 7.104 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.582 6.241 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.613 7.632 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.772 9.412 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.920 9.940 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.394 10.192 -0.852 1.00 0.00 H new ATOM 476 N GLY A 31 -0.529 8.910 2.942 1.00 0.00 N ATOM 477 CA GLY A 31 0.011 9.621 4.093 1.00 0.00 C ATOM 478 C GLY A 31 1.106 10.604 3.673 1.00 0.00 C ATOM 479 O GLY A 31 1.093 11.767 4.076 1.00 0.00 O ATOM 0 H GLY A 31 -0.478 7.893 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.790 10.160 4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.416 8.905 4.808 1.00 0.00 H new ATOM 483 N ILE A 32 2.057 10.130 2.868 1.00 0.00 N ATOM 484 CA ILE A 32 3.159 10.979 2.413 1.00 0.00 C ATOM 485 C ILE A 32 2.688 12.038 1.418 1.00 0.00 C ATOM 486 O ILE A 32 3.067 13.205 1.519 1.00 0.00 O ATOM 487 CB ILE A 32 4.227 10.111 1.747 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.769 9.101 2.761 1.00 0.00 C ATOM 489 CG2 ILE A 32 5.371 10.995 1.242 1.00 0.00 C ATOM 490 CD1 ILE A 32 5.615 8.051 2.040 1.00 0.00 C ATOM 0 H ILE A 32 2.088 9.172 2.520 1.00 0.00 H new ATOM 0 HA ILE A 32 3.567 11.490 3.285 1.00 0.00 H new ATOM 0 HB ILE A 32 3.785 9.579 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.370 9.613 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.944 8.620 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.130 10.372 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.985 11.711 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.814 11.531 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.000 7.333 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.001 7.531 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.449 8.539 1.536 1.00 0.00 H new ATOM 502 N LEU A 33 1.866 11.628 0.457 1.00 0.00 N ATOM 503 CA LEU A 33 1.363 12.560 -0.550 1.00 0.00 C ATOM 504 C LEU A 33 0.501 13.630 0.105 1.00 0.00 C ATOM 505 O LEU A 33 0.618 14.816 -0.199 1.00 0.00 O ATOM 506 CB LEU A 33 0.531 11.812 -1.597 1.00 0.00 C ATOM 507 CG LEU A 33 1.372 10.714 -2.256 1.00 0.00 C ATOM 508 CD1 LEU A 33 0.509 9.956 -3.267 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.571 11.335 -2.980 1.00 0.00 C ATOM 0 H LEU A 33 1.536 10.668 0.353 1.00 0.00 H new ATOM 0 HA LEU A 33 2.217 13.032 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.349 11.373 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.173 12.510 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 33 1.733 10.030 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.104 9.174 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.342 9.506 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.149 10.647 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.163 10.547 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.216 12.023 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.188 11.877 -2.263 1.00 0.00 H new ATOM 521 N ILE A 34 -0.370 13.189 1.001 1.00 0.00 N ATOM 522 CA ILE A 34 -1.273 14.109 1.703 1.00 0.00 C ATOM 523 C ILE A 34 -0.497 15.148 2.508 1.00 0.00 C ATOM 524 O ILE A 34 -0.817 16.336 2.470 1.00 0.00 O ATOM 525 CB ILE A 34 -2.189 13.345 2.663 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.279 12.616 1.873 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.845 14.332 3.631 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.940 11.565 2.768 1.00 0.00 C ATOM 0 H ILE A 34 -0.476 12.209 1.262 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.866 14.612 0.939 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.598 12.617 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.024 13.328 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.848 12.140 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.498 13.791 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.073 14.851 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.432 15.058 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.716 11.045 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.190 10.847 3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.385 12.053 3.635 1.00 0.00 H new ATOM 540 N VAL A 35 0.508 14.695 3.249 1.00 0.00 N ATOM 541 CA VAL A 35 1.301 15.604 4.072 1.00 0.00 C ATOM 542 C VAL A 35 1.908 16.715 3.221 1.00 0.00 C ATOM 543 O VAL A 35 1.761 17.897 3.531 1.00 0.00 O ATOM 544 CB VAL A 35 2.421 14.832 4.773 1.00 0.00 C ATOM 545 CG1 VAL A 35 3.401 15.821 5.406 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.823 13.940 5.864 1.00 0.00 C ATOM 0 H VAL A 35 0.792 13.716 3.298 1.00 0.00 H new ATOM 0 HA VAL A 35 0.642 16.051 4.817 1.00 0.00 H new ATOM 0 HB VAL A 35 2.946 14.213 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.199 15.273 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.828 16.457 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.875 16.439 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.621 13.390 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.298 14.558 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.123 13.235 5.415 1.00 0.00 H new ATOM 556 N LEU A 36 2.587 16.327 2.148 1.00 0.00 N ATOM 557 CA LEU A 36 3.211 17.299 1.258 1.00 0.00 C ATOM 558 C LEU A 36 2.149 18.138 0.549 1.00 0.00 C ATOM 559 O LEU A 36 2.366 19.316 0.260 1.00 0.00 O ATOM 560 CB LEU A 36 4.074 16.573 0.223 1.00 0.00 C ATOM 561 CG LEU A 36 5.108 15.693 0.938 1.00 0.00 C ATOM 562 CD1 LEU A 36 5.919 14.916 -0.100 1.00 0.00 C ATOM 563 CD2 LEU A 36 6.055 16.565 1.770 1.00 0.00 C ATOM 0 H LEU A 36 2.719 15.353 1.874 1.00 0.00 H new ATOM 0 HA LEU A 36 3.838 17.963 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.446 15.960 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.579 17.297 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 36 4.588 14.998 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.654 14.290 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.250 14.287 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.432 15.616 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.785 15.931 2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.573 17.266 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.481 17.119 2.513 1.00 0.00 H new ATOM 575 N SER A 37 1.003 17.523 0.269 1.00 0.00 N ATOM 576 CA SER A 37 -0.087 18.219 -0.410 1.00 0.00 C ATOM 577 C SER A 37 -0.629 19.360 0.445 1.00 0.00 C ATOM 578 O SER A 37 -1.020 20.404 -0.075 1.00 0.00 O ATOM 579 CB SER A 37 -1.220 17.244 -0.722 1.00 0.00 C ATOM 580 OG SER A 37 -0.732 16.207 -1.562 1.00 0.00 O ATOM 0 H SER A 37 0.805 16.549 0.500 1.00 0.00 H new ATOM 0 HA SER A 37 0.309 18.633 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.617 16.823 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.041 17.768 -1.212 1.00 0.00 H new ATOM 0 HG SER A 37 -0.163 15.603 -1.040 1.00 0.00 H new ATOM 586 N ARG A 38 -0.658 19.151 1.757 1.00 0.00 N ATOM 587 CA ARG A 38 -1.167 20.170 2.670 1.00 0.00 C ATOM 588 C ARG A 38 -0.393 21.472 2.507 1.00 0.00 C ATOM 589 O ARG A 38 -0.945 22.559 2.670 1.00 0.00 O ATOM 590 CB ARG A 38 -1.045 19.683 4.114 1.00 0.00 C ATOM 591 CG ARG A 38 -1.981 18.493 4.337 1.00 0.00 C ATOM 592 CD ARG A 38 -3.151 18.916 5.231 1.00 0.00 C ATOM 593 NE ARG A 38 -4.035 17.783 5.483 1.00 0.00 N ATOM 594 CZ ARG A 38 -4.822 17.754 6.554 1.00 0.00 C ATOM 595 NH1 ARG A 38 -4.817 18.754 7.393 1.00 0.00 N ATOM 596 NH2 ARG A 38 -5.602 16.729 6.767 1.00 0.00 N ATOM 0 H ARG A 38 -0.339 18.294 2.209 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.215 20.351 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.016 19.393 4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.296 20.490 4.803 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.355 18.128 3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.436 17.671 4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.772 19.307 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.709 19.721 4.753 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.049 17.002 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.210 19.556 7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.420 18.733 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.608 15.948 6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.205 16.709 7.590 1.00 0.00 H new ATOM 610 N ARG A 39 0.890 21.353 2.189 1.00 0.00 N ATOM 611 CA ARG A 39 1.736 22.528 2.006 1.00 0.00 C ATOM 612 C ARG A 39 1.268 23.348 0.804 1.00 0.00 C ATOM 613 O ARG A 39 1.451 24.565 0.761 1.00 0.00 O ATOM 614 CB ARG A 39 3.185 22.090 1.790 1.00 0.00 C ATOM 615 CG ARG A 39 4.137 23.169 2.313 1.00 0.00 C ATOM 616 CD ARG A 39 5.552 22.894 1.794 1.00 0.00 C ATOM 617 NE ARG A 39 6.471 23.940 2.235 1.00 0.00 N ATOM 618 CZ ARG A 39 7.789 23.785 2.137 1.00 0.00 C ATOM 619 NH1 ARG A 39 8.285 22.682 1.644 1.00 0.00 N ATOM 620 NH2 ARG A 39 8.590 24.735 2.536 1.00 0.00 N ATOM 0 H ARG A 39 1.366 20.461 2.053 1.00 0.00 H new ATOM 0 HA ARG A 39 1.667 23.147 2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.370 21.148 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.367 21.914 0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.803 24.154 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.133 23.176 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.896 21.924 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.543 22.845 0.705 1.00 0.00 H new ATOM 0 HE ARG A 39 6.096 24.805 2.625 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.662 21.937 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.296 22.566 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.206 25.597 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.600 24.616 2.461 1.00 0.00 H new ATOM 634 N CYS A 40 0.678 22.668 -0.175 1.00 0.00 N ATOM 635 CA CYS A 40 0.199 23.335 -1.384 1.00 0.00 C ATOM 636 C CYS A 40 -0.836 24.412 -1.058 1.00 0.00 C ATOM 637 O CYS A 40 -0.745 25.537 -1.548 1.00 0.00 O ATOM 638 CB CYS A 40 -0.419 22.304 -2.327 1.00 0.00 C ATOM 639 SG CYS A 40 0.761 20.963 -2.611 1.00 0.00 S ATOM 0 H CYS A 40 0.520 21.660 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 40 1.051 23.818 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.339 21.908 -1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.686 22.775 -3.273 1.00 0.00 H new ATOM 0 HG CYS A 40 0.235 20.084 -3.412 1.00 0.00 H new ATOM 645 N ARG A 41 -1.820 24.060 -0.237 1.00 0.00 N ATOM 646 CA ARG A 41 -2.869 25.006 0.135 1.00 0.00 C ATOM 647 C ARG A 41 -2.273 26.279 0.729 1.00 0.00 C ATOM 648 O ARG A 41 -2.716 27.386 0.419 1.00 0.00 O ATOM 649 CB ARG A 41 -3.812 24.358 1.154 1.00 0.00 C ATOM 650 CG ARG A 41 -5.019 25.271 1.404 1.00 0.00 C ATOM 651 CD ARG A 41 -5.922 24.652 2.476 1.00 0.00 C ATOM 652 NE ARG A 41 -6.763 23.612 1.896 1.00 0.00 N ATOM 653 CZ ARG A 41 -7.884 23.917 1.251 1.00 0.00 C ATOM 654 NH1 ARG A 41 -8.231 25.167 1.106 1.00 0.00 N ATOM 655 NH2 ARG A 41 -8.634 22.969 0.759 1.00 0.00 N ATOM 0 H ARG A 41 -1.914 23.134 0.181 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.424 25.272 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.148 23.389 0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.282 24.177 2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.681 26.257 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.579 25.411 0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.312 24.231 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.546 25.425 2.925 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.486 22.634 1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.642 25.907 1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.091 25.403 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.360 21.993 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.494 23.204 0.264 1.00 0.00 H new ATOM 669 N CYS A 42 -1.278 26.119 1.593 1.00 0.00 N ATOM 670 CA CYS A 42 -0.644 27.267 2.232 1.00 0.00 C ATOM 671 C CYS A 42 0.351 27.942 1.288 1.00 0.00 C ATOM 672 O CYS A 42 0.553 29.156 1.350 1.00 0.00 O ATOM 673 CB CYS A 42 0.071 26.813 3.508 1.00 0.00 C ATOM 674 SG CYS A 42 -0.486 25.144 3.947 1.00 0.00 S ATOM 0 H CYS A 42 -0.895 25.214 1.866 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.417 27.993 2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.150 26.820 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.141 27.505 4.323 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.074 24.299 3.049 1.00 0.00 H new ATOM 680 N LYS A 43 0.977 27.151 0.423 1.00 0.00 N ATOM 681 CA LYS A 43 1.956 27.684 -0.519 1.00 0.00 C ATOM 682 C LYS A 43 1.291 28.367 -1.715 1.00 0.00 C ATOM 683 O LYS A 43 1.882 29.255 -2.332 1.00 0.00 O ATOM 684 CB LYS A 43 2.856 26.556 -1.025 1.00 0.00 C ATOM 685 CG LYS A 43 3.960 26.281 -0.001 1.00 0.00 C ATOM 686 CD LYS A 43 5.177 27.159 -0.307 1.00 0.00 C ATOM 687 CE LYS A 43 6.281 26.880 0.716 1.00 0.00 C ATOM 688 NZ LYS A 43 5.701 26.904 2.088 1.00 0.00 N ATOM 0 H LYS A 43 0.826 26.145 0.354 1.00 0.00 H new ATOM 0 HA LYS A 43 2.545 28.431 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.267 25.654 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.296 26.830 -1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.595 26.486 1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.242 25.229 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.541 26.956 -1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.896 28.212 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.738 25.910 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.070 27.627 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.467 26.850 2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.168 27.787 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.063 26.092 2.209 1.00 0.00 H new ATOM 702 N PHE A 44 0.084 27.931 -2.067 1.00 0.00 N ATOM 703 CA PHE A 44 -0.600 28.504 -3.224 1.00 0.00 C ATOM 704 C PHE A 44 -0.961 29.974 -3.009 1.00 0.00 C ATOM 705 O PHE A 44 -0.646 30.806 -3.856 1.00 0.00 O ATOM 706 CB PHE A 44 -1.879 27.712 -3.508 1.00 0.00 C ATOM 707 CG PHE A 44 -1.604 26.638 -4.539 1.00 0.00 C ATOM 708 CD1 PHE A 44 -0.451 25.847 -4.444 1.00 0.00 C ATOM 709 CD2 PHE A 44 -2.510 26.430 -5.586 1.00 0.00 C ATOM 710 CE1 PHE A 44 -0.204 24.852 -5.398 1.00 0.00 C ATOM 711 CE2 PHE A 44 -2.264 25.435 -6.540 1.00 0.00 C ATOM 712 CZ PHE A 44 -1.112 24.646 -6.446 1.00 0.00 C ATOM 0 H PHE A 44 -0.432 27.198 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 44 0.084 28.445 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.248 27.259 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.659 28.382 -3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.247 26.005 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.400 27.038 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.686 24.244 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.963 25.277 -7.348 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.922 23.878 -7.181 1.00 0.00 H new ATOM 722 N ASN A 45 -1.594 30.274 -1.865 1.00 0.00 N ATOM 723 CA ASN A 45 -2.002 31.649 -1.508 1.00 0.00 C ATOM 724 C ASN A 45 -3.248 31.616 -0.624 1.00 0.00 C ATOM 725 O ASN A 45 -4.160 30.826 -0.859 1.00 0.00 O ATOM 726 CB ASN A 45 -2.340 32.499 -2.744 1.00 0.00 C ATOM 727 CG ASN A 45 -1.117 33.288 -3.201 1.00 0.00 C ATOM 728 OD1 ASN A 45 -0.494 33.987 -2.404 1.00 0.00 O ATOM 729 ND2 ASN A 45 -0.733 33.219 -4.447 1.00 0.00 N ATOM 0 H ASN A 45 -1.838 29.577 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.155 32.094 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.687 31.855 -3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.155 33.184 -2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.083 33.745 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.249 32.639 -5.108 1.00 0.00 H new ATOM 736 N GLN A 46 -3.292 32.489 0.377 1.00 0.00 N ATOM 737 CA GLN A 46 -4.446 32.555 1.268 1.00 0.00 C ATOM 738 C GLN A 46 -5.582 33.349 0.616 1.00 0.00 C ATOM 739 O GLN A 46 -6.754 33.165 0.947 1.00 0.00 O ATOM 740 CB GLN A 46 -4.051 33.217 2.590 1.00 0.00 C ATOM 741 CG GLN A 46 -3.114 32.290 3.366 1.00 0.00 C ATOM 742 CD GLN A 46 -3.931 31.307 4.197 1.00 0.00 C ATOM 743 OE1 GLN A 46 -4.119 30.159 3.793 1.00 0.00 O ATOM 744 NE2 GLN A 46 -4.430 31.690 5.340 1.00 0.00 N ATOM 0 H GLN A 46 -2.550 33.155 0.591 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.791 31.539 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.559 34.171 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.941 33.430 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.469 31.748 2.674 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.463 32.876 4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.273 32.642 5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.978 31.038 5.902 1.00 0.00 H new ATOM 753 N GLN A 47 -5.219 34.237 -0.305 1.00 0.00 N ATOM 754 CA GLN A 47 -6.200 35.072 -0.997 1.00 0.00 C ATOM 755 C GLN A 47 -7.143 34.232 -1.858 1.00 0.00 C ATOM 756 O GLN A 47 -8.212 34.698 -2.252 1.00 0.00 O ATOM 757 CB GLN A 47 -5.476 36.086 -1.884 1.00 0.00 C ATOM 758 CG GLN A 47 -4.524 36.920 -1.028 1.00 0.00 C ATOM 759 CD GLN A 47 -5.320 37.784 -0.056 1.00 0.00 C ATOM 760 OE1 GLN A 47 -6.257 38.472 -0.461 1.00 0.00 O ATOM 761 NE2 GLN A 47 -5.005 37.785 1.210 1.00 0.00 N ATOM 0 H GLN A 47 -4.253 34.398 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.794 35.587 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.921 35.570 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.199 36.734 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.849 36.265 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.906 37.551 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.228 37.214 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.536 38.357 1.867 1.00 0.00 H new ATOM 770 N GLN A 48 -6.743 33.000 -2.156 1.00 0.00 N ATOM 771 CA GLN A 48 -7.567 32.122 -2.982 1.00 0.00 C ATOM 772 C GLN A 48 -8.961 31.967 -2.384 1.00 0.00 C ATOM 773 O GLN A 48 -9.923 31.691 -3.099 1.00 0.00 O ATOM 774 CB GLN A 48 -6.909 30.748 -3.108 1.00 0.00 C ATOM 775 CG GLN A 48 -5.624 30.875 -3.925 1.00 0.00 C ATOM 776 CD GLN A 48 -5.961 31.155 -5.385 1.00 0.00 C ATOM 777 OE1 GLN A 48 -6.868 30.538 -5.943 1.00 0.00 O ATOM 778 NE2 GLN A 48 -5.279 32.055 -6.040 1.00 0.00 N ATOM 0 H GLN A 48 -5.863 32.589 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.658 32.573 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.686 30.347 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.592 30.048 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.007 31.679 -3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.041 29.957 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.528 32.564 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.497 32.249 -7.017 1.00 0.00 H new ATOM 787 N ARG A 49 -9.064 32.146 -1.073 1.00 0.00 N ATOM 788 CA ARG A 49 -10.351 32.023 -0.398 1.00 0.00 C ATOM 789 C ARG A 49 -11.241 33.216 -0.729 1.00 0.00 C ATOM 790 O ARG A 49 -11.031 34.319 -0.225 1.00 0.00 O ATOM 791 CB ARG A 49 -10.144 31.944 1.116 1.00 0.00 C ATOM 792 CG ARG A 49 -11.450 31.515 1.787 1.00 0.00 C ATOM 793 CD ARG A 49 -11.327 31.689 3.301 1.00 0.00 C ATOM 794 NE ARG A 49 -12.552 31.249 3.960 1.00 0.00 N ATOM 795 CZ ARG A 49 -12.909 31.731 5.146 1.00 0.00 C ATOM 796 NH1 ARG A 49 -12.154 32.608 5.750 1.00 0.00 N ATOM 797 NH2 ARG A 49 -14.013 31.324 5.709 1.00 0.00 N ATOM 0 H ARG A 49 -8.281 32.375 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.837 31.111 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.352 31.232 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.826 32.913 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.279 32.112 1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.670 30.475 1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.479 31.114 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.132 32.735 3.540 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.146 30.558 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.289 32.924 5.312 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.429 32.977 6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.602 30.636 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.288 31.693 6.619 1.00 0.00 H new ATOM 811 N THR A 50 -12.236 32.988 -1.581 1.00 0.00 N ATOM 812 CA THR A 50 -13.154 34.053 -1.973 1.00 0.00 C ATOM 813 C THR A 50 -12.396 35.356 -2.212 1.00 0.00 C ATOM 814 O THR A 50 -12.578 36.332 -1.482 1.00 0.00 O ATOM 815 CB THR A 50 -14.205 34.262 -0.881 1.00 0.00 C ATOM 816 OG1 THR A 50 -13.566 34.690 0.314 1.00 0.00 O ATOM 817 CG2 THR A 50 -14.945 32.949 -0.624 1.00 0.00 C ATOM 0 H THR A 50 -12.427 32.083 -2.011 1.00 0.00 H new ATOM 0 HA THR A 50 -13.647 33.760 -2.900 1.00 0.00 H new ATOM 0 HB THR A 50 -14.918 35.021 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.760 35.200 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.693 33.099 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.436 32.622 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.234 32.188 -0.302 1.00 0.00 H new ATOM 825 N GLY A 51 -11.546 35.361 -3.239 1.00 0.00 N ATOM 826 CA GLY A 51 -10.759 36.547 -3.573 1.00 0.00 C ATOM 827 C GLY A 51 -10.875 36.885 -5.056 1.00 0.00 C ATOM 828 O GLY A 51 -11.963 36.837 -5.631 1.00 0.00 O ATOM 0 H GLY A 51 -11.386 34.561 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.100 37.393 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.713 36.377 -3.317 1.00 0.00 H new ATOM 832 N GLU A 52 -9.747 37.231 -5.669 1.00 0.00 N ATOM 833 CA GLU A 52 -9.733 37.581 -7.085 1.00 0.00 C ATOM 834 C GLU A 52 -9.722 36.315 -7.947 1.00 0.00 C ATOM 835 O GLU A 52 -9.318 35.251 -7.481 1.00 0.00 O ATOM 836 CB GLU A 52 -8.496 38.430 -7.395 1.00 0.00 C ATOM 837 CG GLU A 52 -8.882 39.912 -7.403 1.00 0.00 C ATOM 838 CD GLU A 52 -9.468 40.305 -6.050 1.00 0.00 C ATOM 839 OE1 GLU A 52 -9.032 39.751 -5.054 1.00 0.00 O ATOM 840 OE2 GLU A 52 -10.344 41.153 -6.031 1.00 0.00 O ATOM 0 H GLU A 52 -8.837 37.276 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.632 38.153 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.722 38.249 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.080 38.146 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.006 40.523 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.609 40.103 -8.193 1.00 0.00 H new ATOM 847 N PRO A 53 -10.157 36.402 -9.184 1.00 0.00 N ATOM 848 CA PRO A 53 -10.189 35.228 -10.097 1.00 0.00 C ATOM 849 C PRO A 53 -8.962 34.334 -9.931 1.00 0.00 C ATOM 850 O PRO A 53 -7.866 34.820 -9.649 1.00 0.00 O ATOM 851 CB PRO A 53 -10.221 35.857 -11.488 1.00 0.00 C ATOM 852 CG PRO A 53 -10.863 37.196 -11.312 1.00 0.00 C ATOM 853 CD PRO A 53 -10.663 37.615 -9.851 1.00 0.00 C ATOM 0 HA PRO A 53 -11.040 34.576 -9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.215 35.956 -11.896 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.788 35.239 -12.184 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.415 37.927 -11.985 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.924 37.147 -11.555 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.954 38.439 -9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.598 37.953 -9.404 1.00 0.00 H new ATOM 861 N ASP A 54 -9.161 33.030 -10.112 1.00 0.00 N ATOM 862 CA ASP A 54 -8.073 32.063 -9.983 1.00 0.00 C ATOM 863 C ASP A 54 -7.790 31.388 -11.321 1.00 0.00 C ATOM 864 O ASP A 54 -8.522 31.580 -12.293 1.00 0.00 O ATOM 865 CB ASP A 54 -8.441 31.000 -8.945 1.00 0.00 C ATOM 866 CG ASP A 54 -9.642 30.193 -9.426 1.00 0.00 C ATOM 867 OD1 ASP A 54 -10.434 30.735 -10.178 1.00 0.00 O ATOM 868 OD2 ASP A 54 -9.752 29.043 -9.033 1.00 0.00 O ATOM 0 H ASP A 54 -10.064 32.619 -10.348 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.178 32.595 -9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.592 30.338 -8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.671 31.476 -7.991 1.00 0.00 H new ATOM 873 N GLU A 55 -6.725 30.593 -11.361 1.00 0.00 N ATOM 874 CA GLU A 55 -6.352 29.887 -12.581 1.00 0.00 C ATOM 875 C GLU A 55 -6.909 28.467 -12.566 1.00 0.00 C ATOM 876 O GLU A 55 -7.718 28.118 -11.706 1.00 0.00 O ATOM 877 CB GLU A 55 -4.829 29.833 -12.713 1.00 0.00 C ATOM 878 CG GLU A 55 -4.284 31.247 -12.918 1.00 0.00 C ATOM 879 CD GLU A 55 -2.781 31.192 -13.172 1.00 0.00 C ATOM 880 OE1 GLU A 55 -2.220 30.115 -13.056 1.00 0.00 O ATOM 881 OE2 GLU A 55 -2.215 32.228 -13.477 1.00 0.00 O ATOM 0 H GLU A 55 -6.108 30.422 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.771 30.426 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.391 29.389 -11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.549 29.198 -13.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.787 31.721 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.491 31.857 -12.039 1.00 0.00 H new ATOM 888 N GLU A 56 -6.471 27.652 -13.522 1.00 0.00 N ATOM 889 CA GLU A 56 -6.935 26.271 -13.606 1.00 0.00 C ATOM 890 C GLU A 56 -6.650 25.532 -12.303 1.00 0.00 C ATOM 891 O GLU A 56 -7.419 24.664 -11.889 1.00 0.00 O ATOM 892 CB GLU A 56 -6.239 25.555 -14.766 1.00 0.00 C ATOM 893 CG GLU A 56 -6.563 26.272 -16.078 1.00 0.00 C ATOM 894 CD GLU A 56 -5.911 25.539 -17.245 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.082 24.680 -16.991 1.00 0.00 O ATOM 896 OE2 GLU A 56 -6.248 25.847 -18.376 1.00 0.00 O ATOM 0 H GLU A 56 -5.802 27.921 -14.243 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.011 26.278 -13.779 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.161 25.541 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.568 24.517 -14.816 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.643 26.315 -16.222 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.205 27.301 -16.038 1.00 0.00 H new ATOM 903 N GLU A 57 -5.543 25.886 -11.657 1.00 0.00 N ATOM 904 CA GLU A 57 -5.170 25.253 -10.397 1.00 0.00 C ATOM 905 C GLU A 57 -5.509 26.169 -9.228 1.00 0.00 C ATOM 906 O GLU A 57 -5.778 27.355 -9.416 1.00 0.00 O ATOM 907 CB GLU A 57 -3.673 24.939 -10.390 1.00 0.00 C ATOM 908 CG GLU A 57 -3.334 24.054 -11.590 1.00 0.00 C ATOM 909 CD GLU A 57 -4.021 22.699 -11.448 1.00 0.00 C ATOM 910 OE1 GLU A 57 -4.426 22.373 -10.345 1.00 0.00 O ATOM 911 OE2 GLU A 57 -4.131 22.006 -12.446 1.00 0.00 O ATOM 0 H GLU A 57 -4.893 26.602 -11.982 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.730 24.324 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.096 25.863 -10.431 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.400 24.434 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.654 24.539 -12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.255 23.919 -11.659 1.00 0.00 H new ATOM 918 N GLY A 58 -5.504 25.613 -8.023 1.00 0.00 N ATOM 919 CA GLY A 58 -5.823 26.398 -6.839 1.00 0.00 C ATOM 920 C GLY A 58 -7.330 26.587 -6.717 1.00 0.00 C ATOM 921 O GLY A 58 -8.032 26.722 -7.719 1.00 0.00 O ATOM 0 H GLY A 58 -5.285 24.633 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.440 25.898 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.332 27.369 -6.896 1.00 0.00 H new ATOM 925 N THR A 59 -7.822 26.591 -5.484 1.00 0.00 N ATOM 926 CA THR A 59 -9.251 26.760 -5.242 1.00 0.00 C ATOM 927 C THR A 59 -10.033 25.625 -5.899 1.00 0.00 C ATOM 928 O THR A 59 -11.260 25.583 -5.835 1.00 0.00 O ATOM 929 CB THR A 59 -9.722 28.108 -5.808 1.00 0.00 C ATOM 930 OG1 THR A 59 -8.756 29.107 -5.516 1.00 0.00 O ATOM 931 CG2 THR A 59 -11.071 28.507 -5.193 1.00 0.00 C ATOM 0 H THR A 59 -7.258 26.480 -4.641 1.00 0.00 H new ATOM 0 HA THR A 59 -9.430 26.739 -4.167 1.00 0.00 H new ATOM 0 HB THR A 59 -9.842 28.013 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.202 29.268 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.390 29.464 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 59 -11.816 27.746 -5.425 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.966 28.594 -4.112 1.00 0.00 H new ATOM 939 N PHE A 60 -9.312 24.702 -6.523 1.00 0.00 N ATOM 940 CA PHE A 60 -9.958 23.567 -7.181 1.00 0.00 C ATOM 941 C PHE A 60 -10.554 22.640 -6.136 1.00 0.00 C ATOM 942 O PHE A 60 -11.688 22.177 -6.261 1.00 0.00 O ATOM 943 CB PHE A 60 -8.946 22.800 -8.031 1.00 0.00 C ATOM 944 CG PHE A 60 -9.653 21.685 -8.766 1.00 0.00 C ATOM 945 CD1 PHE A 60 -10.436 21.972 -9.891 1.00 0.00 C ATOM 946 CD2 PHE A 60 -9.523 20.364 -8.321 1.00 0.00 C ATOM 947 CE1 PHE A 60 -11.088 20.936 -10.571 1.00 0.00 C ATOM 948 CE2 PHE A 60 -10.176 19.330 -9.001 1.00 0.00 C ATOM 949 CZ PHE A 60 -10.958 19.615 -10.127 1.00 0.00 C ATOM 0 H PHE A 60 -8.294 24.713 -6.589 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.751 23.941 -7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -8.467 23.473 -8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -8.158 22.391 -7.398 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.537 22.991 -10.234 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.919 20.143 -7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -11.692 21.156 -11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.077 18.311 -8.657 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.460 18.816 -10.652 1.00 0.00 H new ATOM 959 N ARG A 61 -9.774 22.397 -5.095 1.00 0.00 N ATOM 960 CA ARG A 61 -10.199 21.550 -3.997 1.00 0.00 C ATOM 961 C ARG A 61 -11.379 22.195 -3.282 1.00 0.00 C ATOM 962 O ARG A 61 -12.245 21.512 -2.749 1.00 0.00 O ATOM 963 CB ARG A 61 -9.032 21.349 -3.021 1.00 0.00 C ATOM 964 CG ARG A 61 -9.368 20.253 -2.004 1.00 0.00 C ATOM 965 CD ARG A 61 -8.088 19.840 -1.274 1.00 0.00 C ATOM 966 NE ARG A 61 -8.405 19.063 -0.081 1.00 0.00 N ATOM 967 CZ ARG A 61 -8.891 17.829 -0.171 1.00 0.00 C ATOM 968 NH1 ARG A 61 -9.118 17.301 -1.343 1.00 0.00 N ATOM 969 NH2 ARG A 61 -9.141 17.145 0.912 1.00 0.00 N ATOM 0 H ARG A 61 -8.834 22.780 -4.989 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.508 20.579 -4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.131 21.079 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.819 22.283 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.108 20.616 -1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.807 19.393 -2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.457 19.252 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.519 20.727 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.251 19.474 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.922 17.835 -2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.491 16.354 -1.412 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.963 17.557 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.514 16.198 0.842 1.00 0.00 H new ATOM 983 N SER A 62 -11.393 23.522 -3.266 1.00 0.00 N ATOM 984 CA SER A 62 -12.460 24.261 -2.603 1.00 0.00 C ATOM 985 C SER A 62 -13.801 24.051 -3.307 1.00 0.00 C ATOM 986 O SER A 62 -14.849 24.036 -2.663 1.00 0.00 O ATOM 987 CB SER A 62 -12.119 25.749 -2.574 1.00 0.00 C ATOM 988 OG SER A 62 -12.441 26.329 -3.830 1.00 0.00 O ATOM 0 H SER A 62 -10.680 24.107 -3.703 1.00 0.00 H new ATOM 0 HA SER A 62 -12.549 23.886 -1.584 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.674 26.246 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.060 25.887 -2.358 1.00 0.00 H new ATOM 0 HG SER A 62 -12.018 25.812 -4.547 1.00 0.00 H new ATOM 994 N SER A 63 -13.765 23.897 -4.627 1.00 0.00 N ATOM 995 CA SER A 63 -14.994 23.699 -5.396 1.00 0.00 C ATOM 996 C SER A 63 -15.662 22.383 -5.009 1.00 0.00 C ATOM 997 O SER A 63 -16.878 22.246 -5.101 1.00 0.00 O ATOM 998 CB SER A 63 -14.684 23.701 -6.893 1.00 0.00 C ATOM 999 OG SER A 63 -13.972 22.518 -7.229 1.00 0.00 O ATOM 0 H SER A 63 -12.910 23.905 -5.183 1.00 0.00 H new ATOM 0 HA SER A 63 -15.677 24.518 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.609 23.757 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.094 24.580 -7.152 1.00 0.00 H new ATOM 0 HG SER A 63 -13.042 22.600 -6.930 1.00 0.00 H new ATOM 1005 N ILE A 64 -14.855 21.425 -4.576 1.00 0.00 N ATOM 1006 CA ILE A 64 -15.359 20.114 -4.172 1.00 0.00 C ATOM 1007 C ILE A 64 -16.298 20.240 -2.970 1.00 0.00 C ATOM 1008 O ILE A 64 -17.236 19.456 -2.826 1.00 0.00 O ATOM 1009 CB ILE A 64 -14.185 19.167 -3.846 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -14.514 17.753 -4.340 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -13.923 19.108 -2.332 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -14.217 17.642 -5.840 1.00 0.00 C ATOM 0 H ILE A 64 -13.844 21.529 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.926 19.693 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.295 19.550 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.925 17.020 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -15.563 17.527 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.091 18.433 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.677 20.105 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.815 18.744 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -14.453 16.635 -6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.825 18.364 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.162 17.848 -6.018 1.00 0.00 H new ATOM 1024 N ARG A 65 -16.043 21.224 -2.110 1.00 0.00 N ATOM 1025 CA ARG A 65 -16.884 21.418 -0.934 1.00 0.00 C ATOM 1026 C ARG A 65 -18.328 21.610 -1.368 1.00 0.00 C ATOM 1027 O ARG A 65 -19.255 21.254 -0.641 1.00 0.00 O ATOM 1028 CB ARG A 65 -16.428 22.635 -0.118 1.00 0.00 C ATOM 1029 CG ARG A 65 -17.241 22.701 1.184 1.00 0.00 C ATOM 1030 CD ARG A 65 -16.804 23.905 2.021 1.00 0.00 C ATOM 1031 NE ARG A 65 -17.739 24.111 3.125 1.00 0.00 N ATOM 1032 CZ ARG A 65 -17.576 25.109 3.989 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -16.562 25.922 3.863 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -18.430 25.275 4.964 1.00 0.00 N ATOM 0 H ARG A 65 -15.274 21.888 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 65 -16.798 20.533 -0.304 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.364 22.560 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -16.568 23.549 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -18.304 22.776 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -17.102 21.783 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -15.799 23.742 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.763 24.797 1.396 1.00 0.00 H new ATOM 0 HE ARG A 65 -18.531 23.478 3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -15.895 25.792 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -16.437 26.687 4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -19.222 24.639 5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.305 26.040 5.627 1.00 0.00 H new ATOM 1048 N ARG A 66 -18.518 22.162 -2.562 1.00 0.00 N ATOM 1049 CA ARG A 66 -19.864 22.373 -3.067 1.00 0.00 C ATOM 1050 C ARG A 66 -20.616 21.051 -3.023 1.00 0.00 C ATOM 1051 O ARG A 66 -21.809 21.015 -2.757 1.00 0.00 O ATOM 1052 CB ARG A 66 -19.821 22.919 -4.504 1.00 0.00 C ATOM 1053 CG ARG A 66 -19.652 21.766 -5.513 1.00 0.00 C ATOM 1054 CD ARG A 66 -19.216 22.301 -6.888 1.00 0.00 C ATOM 1055 NE ARG A 66 -20.346 22.916 -7.578 1.00 0.00 N ATOM 1056 CZ ARG A 66 -20.630 24.208 -7.436 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -19.910 24.959 -6.647 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -21.635 24.727 -8.089 1.00 0.00 N ATOM 0 H ARG A 66 -17.770 22.465 -3.186 1.00 0.00 H new ATOM 0 HA ARG A 66 -20.377 23.107 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -20.738 23.467 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.997 23.625 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.911 21.058 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.592 21.222 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.417 23.031 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.813 21.487 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.932 22.341 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.125 24.556 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.133 25.949 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.199 24.142 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.856 25.717 -7.983 1.00 0.00 H new ATOM 1072 N LEU A 67 -19.897 19.965 -3.268 1.00 0.00 N ATOM 1073 CA LEU A 67 -20.491 18.637 -3.242 1.00 0.00 C ATOM 1074 C LEU A 67 -21.147 18.365 -1.888 1.00 0.00 C ATOM 1075 O LEU A 67 -22.075 17.563 -1.788 1.00 0.00 O ATOM 1076 CB LEU A 67 -19.401 17.593 -3.506 1.00 0.00 C ATOM 1077 CG LEU A 67 -20.038 16.273 -3.933 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -20.155 16.235 -5.458 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -19.159 15.111 -3.465 1.00 0.00 C ATOM 0 H LEU A 67 -18.901 19.978 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 67 -21.258 18.578 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.725 17.949 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.803 17.444 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.029 16.186 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.610 15.293 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.776 17.065 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.163 16.320 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.612 14.167 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.169 15.200 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.069 15.137 -2.379 1.00 0.00 H new ATOM 1091 N SER A 68 -20.648 19.027 -0.846 1.00 0.00 N ATOM 1092 CA SER A 68 -21.185 18.837 0.499 1.00 0.00 C ATOM 1093 C SER A 68 -22.571 19.461 0.649 1.00 0.00 C ATOM 1094 O SER A 68 -23.489 18.829 1.176 1.00 0.00 O ATOM 1095 CB SER A 68 -20.235 19.459 1.524 1.00 0.00 C ATOM 1096 OG SER A 68 -18.920 18.970 1.301 1.00 0.00 O ATOM 0 H SER A 68 -19.879 19.694 -0.906 1.00 0.00 H new ATOM 0 HA SER A 68 -21.277 17.765 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.251 20.546 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.560 19.213 2.535 1.00 0.00 H new ATOM 0 HG SER A 68 -18.497 19.484 0.582 1.00 0.00 H new ATOM 1102 N THR A 69 -22.716 20.705 0.206 1.00 0.00 N ATOM 1103 CA THR A 69 -23.994 21.403 0.321 1.00 0.00 C ATOM 1104 C THR A 69 -24.786 21.344 -0.982 1.00 0.00 C ATOM 1105 O THR A 69 -26.012 21.231 -0.968 1.00 0.00 O ATOM 1106 CB THR A 69 -23.749 22.866 0.700 1.00 0.00 C ATOM 1107 OG1 THR A 69 -24.996 23.525 0.872 1.00 0.00 O ATOM 1108 CG2 THR A 69 -22.952 23.556 -0.408 1.00 0.00 C ATOM 0 H THR A 69 -21.972 21.248 -0.233 1.00 0.00 H new ATOM 0 HA THR A 69 -24.578 20.906 1.096 1.00 0.00 H new ATOM 0 HB THR A 69 -23.184 22.910 1.631 1.00 0.00 H new ATOM 0 HG1 THR A 69 -24.840 24.461 1.116 1.00 0.00 H new ATOM 0 HG21 THR A 69 -22.778 24.597 -0.137 1.00 0.00 H new ATOM 0 HG22 THR A 69 -21.995 23.050 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 69 -23.514 23.513 -1.341 1.00 0.00 H new ATOM 1116 N ARG A 70 -24.084 21.435 -2.106 1.00 0.00 N ATOM 1117 CA ARG A 70 -24.753 21.408 -3.411 1.00 0.00 C ATOM 1118 C ARG A 70 -25.578 20.135 -3.578 1.00 0.00 C ATOM 1119 O ARG A 70 -26.778 20.199 -3.855 1.00 0.00 O ATOM 1120 CB ARG A 70 -23.727 21.497 -4.554 1.00 0.00 C ATOM 1121 CG ARG A 70 -24.447 21.756 -5.892 1.00 0.00 C ATOM 1122 CD ARG A 70 -24.098 20.662 -6.909 1.00 0.00 C ATOM 1123 NE ARG A 70 -22.695 20.749 -7.301 1.00 0.00 N ATOM 1124 CZ ARG A 70 -22.196 19.950 -8.242 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -22.967 19.074 -8.826 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -20.940 20.041 -8.583 1.00 0.00 N ATOM 0 H ARG A 70 -23.069 21.527 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 70 -25.417 22.272 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -23.016 22.298 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -23.155 20.571 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -25.525 21.783 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -24.159 22.731 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -24.300 19.681 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.733 20.761 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 70 -22.088 21.432 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -23.949 19.003 -8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -22.587 18.461 -9.547 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -20.336 20.726 -8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -20.562 19.427 -9.304 1.00 0.00 H new ATOM 1140 N ARG A 71 -24.926 18.982 -3.416 1.00 0.00 N ATOM 1141 CA ARG A 71 -25.602 17.691 -3.561 1.00 0.00 C ATOM 1142 C ARG A 71 -25.502 16.879 -2.274 1.00 0.00 C ATOM 1143 O ARG A 71 -24.462 16.864 -1.613 1.00 0.00 O ATOM 1144 CB ARG A 71 -24.969 16.900 -4.708 1.00 0.00 C ATOM 1145 CG ARG A 71 -25.750 15.602 -4.926 1.00 0.00 C ATOM 1146 CD ARG A 71 -25.246 14.912 -6.194 1.00 0.00 C ATOM 1147 NE ARG A 71 -25.233 13.466 -6.012 1.00 0.00 N ATOM 1148 CZ ARG A 71 -26.363 12.781 -5.872 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -27.511 13.402 -5.910 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -26.327 11.489 -5.703 1.00 0.00 N ATOM 0 H ARG A 71 -23.935 18.915 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 71 -26.654 17.879 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -24.972 17.496 -5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -23.927 16.676 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -25.628 14.942 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -26.815 15.816 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -25.885 15.173 -7.037 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -24.243 15.264 -6.434 1.00 0.00 H new ATOM 0 HE ARG A 71 -24.341 12.971 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -27.540 14.412 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -28.379 12.877 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -25.431 11.003 -5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -27.195 10.964 -5.596 1.00 0.00 H new ATOM 1164 N ARG A 72 -26.591 16.201 -1.927 1.00 0.00 N ATOM 1165 CA ARG A 72 -26.620 15.382 -0.720 1.00 0.00 C ATOM 1166 C ARG A 72 -25.944 16.109 0.438 1.00 0.00 C ATOM 1167 O ARG A 72 -25.821 17.320 0.360 1.00 0.00 O ATOM 1168 CB ARG A 72 -25.912 14.050 -0.977 1.00 0.00 C ATOM 1169 CG ARG A 72 -26.807 13.153 -1.836 1.00 0.00 C ATOM 1170 CD ARG A 72 -26.073 11.851 -2.157 1.00 0.00 C ATOM 1171 NE ARG A 72 -25.711 11.158 -0.926 1.00 0.00 N ATOM 1172 CZ ARG A 72 -24.992 10.041 -0.955 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -24.606 9.544 -2.098 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -24.675 9.440 0.160 1.00 0.00 N ATOM 1175 OXT ARG A 72 -25.559 15.444 1.386 1.00 0.00 O ATOM 0 H ARG A 72 -27.460 16.202 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.660 15.194 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -24.961 14.223 -1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -25.686 13.558 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.736 12.938 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -27.076 13.667 -2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -26.706 11.210 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -25.177 12.065 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 72 -26.014 11.537 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -24.856 10.013 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.054 8.687 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -24.979 9.828 1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -24.123 8.582 0.138 1.00 0.00 H new TER 1189 ARG A 72