USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 652 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 35 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 39 THR OG1 : rot 55:sc= 1.27 USER MOD Set 2.1: A 23 MET CE :methyl -140:sc= -0.0671 (180deg=-0.37) USER MOD Set 2.2: A 60 ASN : amide:sc= -0.017 K(o=-0.084,f=-5.9!) USER MOD Set 3.1: A 20 GLN : amide:sc= -0.665! C(o=-1.9!,f=-8!) USER MOD Set 3.2: A 77 GLN : amide:sc= -1.27 K(o=-1.9,f=-8) USER MOD Set 4.1: A 15 GLN : amide:sc= 0.0733 K(o=-0.47,f=-1.6) USER MOD Set 4.2: A 18 THR OG1 : rot -83:sc= -0.54 USER MOD Set 5.1: A 6 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.083) USER MOD Set 5.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc=-0.00101 F(o=-0.57,f=-0.001) USER MOD Single : A 10 ASN : amide:sc= -0.0566 K(o=-0.057,f=-0.79) USER MOD Single : A 12 ASN : amide:sc=7.68e-05 X(o=7.7e-05,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0.00679 (180deg=-0.0808) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.42) USER MOD Single : A 51 MET CE :methyl 134:sc= -2.95 (180deg=-5.21!) USER MOD Single : A 55 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.1) USER MOD Single : A 58 SER OG : rot -121:sc= 0.0433 USER MOD Single : A 59 GLN : amide:sc= -0.0811 K(o=-0.081,f=-2.8!) USER MOD Single : A 61 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 1.76 (180deg=-0.131!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -109:sc= -1.03 (180deg=-5.15!) USER MOD Single : A 84 MET CE :methyl 150:sc= -0.143 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 7.477 -12.523 -2.342 1.00 0.00 N ATOM 2 CA GLY A 5 6.274 -12.251 -1.592 1.00 0.00 C ATOM 3 C GLY A 5 5.990 -10.774 -1.480 1.00 0.00 C ATOM 4 O GLY A 5 6.839 -10.001 -1.045 1.00 0.00 O ATOM 0 HA2 GLY A 5 5.430 -12.746 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.367 -12.677 -0.593 1.00 0.00 H new ATOM 8 N GLN A 6 4.801 -10.381 -1.901 1.00 0.00 N ATOM 9 CA GLN A 6 4.320 -9.023 -1.693 1.00 0.00 C ATOM 10 C GLN A 6 3.302 -9.038 -0.563 1.00 0.00 C ATOM 11 O GLN A 6 2.391 -8.221 -0.507 1.00 0.00 O ATOM 12 CB GLN A 6 3.695 -8.474 -2.977 1.00 0.00 C ATOM 13 CG GLN A 6 4.672 -8.378 -4.137 1.00 0.00 C ATOM 14 CD GLN A 6 5.783 -7.376 -3.887 1.00 0.00 C ATOM 15 OE1 GLN A 6 5.660 -6.202 -4.232 1.00 0.00 O ATOM 16 NE2 GLN A 6 6.872 -7.830 -3.289 1.00 0.00 N ATOM 0 H GLN A 6 4.145 -10.987 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 6 5.153 -8.372 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.861 -9.113 -3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.284 -7.485 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.109 -9.360 -4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.131 -8.096 -5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.934 -8.812 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.650 -7.198 -3.098 1.00 0.00 H new ATOM 25 N PHE A 7 3.484 -10.010 0.320 1.00 0.00 N ATOM 26 CA PHE A 7 2.585 -10.267 1.432 1.00 0.00 C ATOM 27 C PHE A 7 3.366 -10.995 2.524 1.00 0.00 C ATOM 28 O PHE A 7 4.546 -10.699 2.719 1.00 0.00 O ATOM 29 CB PHE A 7 1.359 -11.082 0.968 1.00 0.00 C ATOM 30 CG PHE A 7 1.680 -12.253 0.074 1.00 0.00 C ATOM 31 CD1 PHE A 7 1.999 -12.061 -1.264 1.00 0.00 C ATOM 32 CD2 PHE A 7 1.655 -13.543 0.570 1.00 0.00 C ATOM 33 CE1 PHE A 7 2.289 -13.135 -2.084 1.00 0.00 C ATOM 34 CE2 PHE A 7 1.943 -14.620 -0.245 1.00 0.00 C ATOM 35 CZ PHE A 7 2.262 -14.416 -1.572 1.00 0.00 C ATOM 0 H PHE A 7 4.275 -10.652 0.281 1.00 0.00 H new ATOM 0 HA PHE A 7 2.204 -9.327 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.830 -11.449 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.676 -10.416 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.021 -11.060 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 7 1.407 -13.711 1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.536 -12.972 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.919 -15.622 0.156 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.490 -15.258 -2.209 1.00 0.00 H new ATOM 45 N HIS A 8 2.718 -11.941 3.211 1.00 0.00 N ATOM 46 CA HIS A 8 3.338 -12.716 4.294 1.00 0.00 C ATOM 47 C HIS A 8 3.376 -11.909 5.575 1.00 0.00 C ATOM 48 O HIS A 8 4.249 -11.060 5.763 1.00 0.00 O ATOM 49 CB HIS A 8 4.758 -13.192 3.954 1.00 0.00 C ATOM 50 CG HIS A 8 4.820 -14.423 3.111 1.00 0.00 C ATOM 51 ND1 HIS A 8 3.841 -15.161 2.542 1.00 0.00 N flip ATOM 52 CD2 HIS A 8 6.008 -15.034 2.767 1.00 0.00 C flip ATOM 53 CE1 HIS A 8 4.448 -16.192 1.870 1.00 0.00 C flip ATOM 54 NE2 HIS A 8 5.753 -16.093 2.021 1.00 0.00 N flip ATOM 0 H HIS A 8 1.746 -12.193 3.032 1.00 0.00 H new ATOM 0 HA HIS A 8 2.716 -13.601 4.427 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.282 -12.388 3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.296 -13.377 4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.992 -14.699 3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.938 -16.961 1.308 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.449 -16.727 1.628 1.00 0.00 H new ATOM 63 N ASP A 9 2.430 -12.194 6.454 1.00 0.00 N ATOM 64 CA ASP A 9 2.323 -11.510 7.734 1.00 0.00 C ATOM 65 C ASP A 9 1.128 -12.051 8.491 1.00 0.00 C ATOM 66 O ASP A 9 1.240 -12.491 9.637 1.00 0.00 O ATOM 67 CB ASP A 9 2.152 -10.004 7.531 1.00 0.00 C ATOM 68 CG ASP A 9 2.977 -9.179 8.495 1.00 0.00 C ATOM 69 OD1 ASP A 9 3.728 -9.757 9.305 1.00 0.00 O ATOM 70 OD2 ASP A 9 2.895 -7.933 8.426 1.00 0.00 O ATOM 0 H ASP A 9 1.715 -12.905 6.302 1.00 0.00 H new ATOM 0 HA ASP A 9 3.238 -11.684 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.432 -9.747 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.100 -9.745 7.648 1.00 0.00 H new ATOM 75 N ASN A 10 -0.021 -12.028 7.831 1.00 0.00 N ATOM 76 CA ASN A 10 -1.254 -12.531 8.426 1.00 0.00 C ATOM 77 C ASN A 10 -2.207 -13.080 7.367 1.00 0.00 C ATOM 78 O ASN A 10 -3.253 -13.633 7.708 1.00 0.00 O ATOM 79 CB ASN A 10 -1.958 -11.445 9.253 1.00 0.00 C ATOM 80 CG ASN A 10 -2.184 -10.156 8.487 1.00 0.00 C ATOM 81 OD1 ASN A 10 -3.166 -10.008 7.761 1.00 0.00 O ATOM 82 ND2 ASN A 10 -1.290 -9.198 8.673 1.00 0.00 N ATOM 0 H ASN A 10 -0.127 -11.667 6.883 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.974 -13.348 9.091 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.919 -11.827 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.363 -11.232 10.141 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.402 -8.298 8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.489 -9.360 9.283 1.00 0.00 H new ATOM 89 N ALA A 11 -1.856 -12.939 6.092 1.00 0.00 N ATOM 90 CA ALA A 11 -2.689 -13.464 5.017 1.00 0.00 C ATOM 91 C ALA A 11 -1.855 -13.835 3.795 1.00 0.00 C ATOM 92 O ALA A 11 -1.351 -12.969 3.079 1.00 0.00 O ATOM 93 CB ALA A 11 -3.769 -12.460 4.643 1.00 0.00 C ATOM 0 H ALA A 11 -1.006 -12.469 5.780 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.167 -14.374 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.382 -12.868 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.396 -12.260 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.304 -11.532 4.310 1.00 0.00 H new ATOM 99 N ASN A 12 -1.712 -15.130 3.563 1.00 0.00 N ATOM 100 CA ASN A 12 -0.963 -15.625 2.418 1.00 0.00 C ATOM 101 C ASN A 12 -1.726 -16.757 1.741 1.00 0.00 C ATOM 102 O ASN A 12 -1.150 -17.565 1.012 1.00 0.00 O ATOM 103 CB ASN A 12 0.435 -16.096 2.844 1.00 0.00 C ATOM 104 CG ASN A 12 0.406 -17.265 3.815 1.00 0.00 C ATOM 105 OD1 ASN A 12 0.337 -17.079 5.030 1.00 0.00 O ATOM 106 ND2 ASN A 12 0.468 -18.477 3.289 1.00 0.00 N ATOM 0 H ASN A 12 -2.107 -15.861 4.155 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.842 -14.809 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.000 -16.383 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.967 -15.263 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.459 -19.297 3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.524 -18.591 2.277 1.00 0.00 H new ATOM 113 N GLY A 13 -3.027 -16.806 1.996 1.00 0.00 N ATOM 114 CA GLY A 13 -3.868 -17.829 1.411 1.00 0.00 C ATOM 115 C GLY A 13 -5.055 -17.234 0.688 1.00 0.00 C ATOM 116 O GLY A 13 -5.600 -16.213 1.116 1.00 0.00 O ATOM 0 H GLY A 13 -3.517 -16.149 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.281 -18.428 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.219 -18.502 2.193 1.00 0.00 H new ATOM 120 N GLY A 14 -5.453 -17.861 -0.408 1.00 0.00 N ATOM 121 CA GLY A 14 -6.559 -17.355 -1.196 1.00 0.00 C ATOM 122 C GLY A 14 -6.124 -16.249 -2.133 1.00 0.00 C ATOM 123 O GLY A 14 -6.075 -16.437 -3.348 1.00 0.00 O ATOM 0 H GLY A 14 -5.028 -18.716 -0.768 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.996 -18.170 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.338 -16.982 -0.531 1.00 0.00 H new ATOM 127 N GLN A 15 -5.799 -15.097 -1.565 1.00 0.00 N ATOM 128 CA GLN A 15 -5.294 -13.977 -2.340 1.00 0.00 C ATOM 129 C GLN A 15 -3.846 -13.700 -1.968 1.00 0.00 C ATOM 130 O GLN A 15 -3.557 -13.201 -0.879 1.00 0.00 O ATOM 131 CB GLN A 15 -6.137 -12.719 -2.110 1.00 0.00 C ATOM 132 CG GLN A 15 -7.564 -12.828 -2.622 1.00 0.00 C ATOM 133 CD GLN A 15 -8.309 -11.507 -2.550 1.00 0.00 C ATOM 134 OE1 GLN A 15 -7.712 -10.433 -2.656 1.00 0.00 O ATOM 135 NE2 GLN A 15 -9.622 -11.570 -2.374 1.00 0.00 N ATOM 0 H GLN A 15 -5.877 -14.915 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.356 -14.241 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.161 -12.500 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.651 -11.874 -2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.551 -13.178 -3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.100 -13.576 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.082 -12.476 -2.290 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.171 -10.712 -2.322 1.00 0.00 H new ATOM 144 N ASN A 16 -2.944 -14.023 -2.877 1.00 0.00 N ATOM 145 CA ASN A 16 -1.515 -13.854 -2.649 1.00 0.00 C ATOM 146 C ASN A 16 -1.086 -12.437 -3.004 1.00 0.00 C ATOM 147 O ASN A 16 -0.383 -12.212 -3.992 1.00 0.00 O ATOM 148 CB ASN A 16 -0.716 -14.861 -3.484 1.00 0.00 C ATOM 149 CG ASN A 16 -1.001 -16.301 -3.110 1.00 0.00 C ATOM 150 OD1 ASN A 16 -0.312 -16.889 -2.276 1.00 0.00 O ATOM 151 ND2 ASN A 16 -2.018 -16.880 -3.728 1.00 0.00 N ATOM 0 H ASN A 16 -3.177 -14.409 -3.792 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.314 -14.032 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.947 -14.713 -4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.349 -14.663 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.256 -17.850 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.564 -16.357 -4.413 1.00 0.00 H new ATOM 158 N GLY A 17 -1.515 -11.482 -2.200 1.00 0.00 N ATOM 159 CA GLY A 17 -1.168 -10.102 -2.446 1.00 0.00 C ATOM 160 C GLY A 17 -2.338 -9.308 -2.978 1.00 0.00 C ATOM 161 O GLY A 17 -2.721 -9.446 -4.142 1.00 0.00 O ATOM 0 H GLY A 17 -2.099 -11.638 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.813 -9.648 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.345 -10.057 -3.160 1.00 0.00 H new ATOM 165 N THR A 18 -2.917 -8.494 -2.120 1.00 0.00 N ATOM 166 CA THR A 18 -4.010 -7.627 -2.502 1.00 0.00 C ATOM 167 C THR A 18 -3.470 -6.242 -2.844 1.00 0.00 C ATOM 168 O THR A 18 -2.560 -5.744 -2.179 1.00 0.00 O ATOM 169 CB THR A 18 -5.045 -7.531 -1.362 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.490 -8.848 -1.013 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.241 -6.680 -1.762 1.00 0.00 C ATOM 0 H THR A 18 -2.643 -8.415 -1.141 1.00 0.00 H new ATOM 0 HA THR A 18 -4.504 -8.045 -3.379 1.00 0.00 H new ATOM 0 HB THR A 18 -4.565 -7.055 -0.507 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.198 -9.128 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.949 -6.635 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.905 -5.672 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.727 -7.122 -2.632 1.00 0.00 H new ATOM 179 N VAL A 19 -4.000 -5.642 -3.900 1.00 0.00 N ATOM 180 CA VAL A 19 -3.566 -4.317 -4.314 1.00 0.00 C ATOM 181 C VAL A 19 -4.766 -3.405 -4.580 1.00 0.00 C ATOM 182 O VAL A 19 -5.683 -3.756 -5.326 1.00 0.00 O ATOM 183 CB VAL A 19 -2.654 -4.382 -5.566 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.330 -5.142 -6.702 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.251 -2.984 -6.016 1.00 0.00 C ATOM 0 H VAL A 19 -4.729 -6.051 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.984 -3.897 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.750 -4.926 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.666 -5.171 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.550 -6.160 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.258 -4.640 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.611 -3.055 -6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.144 -2.409 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.709 -2.485 -5.213 1.00 0.00 H new ATOM 195 N GLN A 20 -4.770 -2.250 -3.934 1.00 0.00 N ATOM 196 CA GLN A 20 -5.817 -1.262 -4.143 1.00 0.00 C ATOM 197 C GLN A 20 -5.242 0.003 -4.759 1.00 0.00 C ATOM 198 O GLN A 20 -4.348 0.632 -4.188 1.00 0.00 O ATOM 199 CB GLN A 20 -6.531 -0.939 -2.827 1.00 0.00 C ATOM 200 CG GLN A 20 -7.355 -2.096 -2.280 1.00 0.00 C ATOM 201 CD GLN A 20 -8.095 -1.738 -1.003 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.585 -1.920 0.097 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.308 -1.231 -1.143 1.00 0.00 N ATOM 0 H GLN A 20 -4.058 -1.973 -3.258 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.548 -1.683 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.789 -0.649 -2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.184 -0.079 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.074 -2.413 -3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.699 -2.945 -2.089 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.699 -1.094 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.853 -0.977 -0.319 1.00 0.00 H new ATOM 212 N GLU A 21 -5.734 0.351 -5.939 1.00 0.00 N ATOM 213 CA GLU A 21 -5.313 1.568 -6.615 1.00 0.00 C ATOM 214 C GLU A 21 -6.233 2.725 -6.254 1.00 0.00 C ATOM 215 O GLU A 21 -7.414 2.740 -6.613 1.00 0.00 O ATOM 216 CB GLU A 21 -5.258 1.358 -8.131 1.00 0.00 C ATOM 217 CG GLU A 21 -4.093 0.478 -8.551 1.00 0.00 C ATOM 218 CD GLU A 21 -4.027 0.210 -10.042 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.935 -0.462 -10.569 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.040 0.634 -10.682 1.00 0.00 O ATOM 0 H GLU A 21 -6.428 -0.195 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.307 1.818 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.191 0.906 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.176 2.325 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.163 0.950 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.162 -0.474 -8.024 1.00 0.00 H new ATOM 227 N ILE A 22 -5.682 3.679 -5.520 1.00 0.00 N ATOM 228 CA ILE A 22 -6.432 4.839 -5.058 1.00 0.00 C ATOM 229 C ILE A 22 -6.062 6.054 -5.893 1.00 0.00 C ATOM 230 O ILE A 22 -4.979 6.098 -6.473 1.00 0.00 O ATOM 231 CB ILE A 22 -6.137 5.154 -3.568 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.133 3.866 -2.735 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.165 6.134 -3.011 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.455 3.123 -2.742 1.00 0.00 C ATOM 0 H ILE A 22 -4.705 3.672 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.492 4.609 -5.163 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.150 5.613 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.354 3.204 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.872 4.112 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.940 6.342 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.129 7.062 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.161 5.699 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.371 2.224 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.236 3.766 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.710 2.844 -3.764 1.00 0.00 H new ATOM 246 N MET A 23 -6.960 7.024 -5.957 1.00 0.00 N ATOM 247 CA MET A 23 -6.697 8.268 -6.653 1.00 0.00 C ATOM 248 C MET A 23 -6.523 9.380 -5.632 1.00 0.00 C ATOM 249 O MET A 23 -7.490 9.833 -5.020 1.00 0.00 O ATOM 250 CB MET A 23 -7.838 8.596 -7.615 1.00 0.00 C ATOM 251 CG MET A 23 -8.135 7.486 -8.608 1.00 0.00 C ATOM 252 SD MET A 23 -6.672 6.918 -9.501 1.00 0.00 S ATOM 253 CE MET A 23 -6.114 8.431 -10.279 1.00 0.00 C ATOM 0 H MET A 23 -7.885 6.970 -5.530 1.00 0.00 H new ATOM 0 HA MET A 23 -5.784 8.169 -7.240 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.739 8.807 -7.038 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.590 9.505 -8.163 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.579 6.643 -8.078 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.876 7.838 -9.325 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.774 8.215 -11.292 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.936 9.146 -10.317 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.291 8.855 -9.703 1.00 0.00 H new ATOM 263 N ILE A 24 -5.284 9.790 -5.428 1.00 0.00 N ATOM 264 CA ILE A 24 -4.961 10.757 -4.390 1.00 0.00 C ATOM 265 C ILE A 24 -5.008 12.183 -4.933 1.00 0.00 C ATOM 266 O ILE A 24 -4.348 12.493 -5.915 1.00 0.00 O ATOM 267 CB ILE A 24 -3.556 10.485 -3.805 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.397 9.005 -3.441 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.306 11.362 -2.588 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.428 8.501 -2.454 1.00 0.00 C ATOM 0 H ILE A 24 -4.481 9.468 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.708 10.650 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.816 10.731 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.458 8.409 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.402 8.849 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.312 11.157 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.372 12.411 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.054 11.147 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.248 7.446 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.353 9.070 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.426 8.623 -2.876 1.00 0.00 H new ATOM 282 N PRO A 25 -5.800 13.063 -4.300 1.00 0.00 N ATOM 283 CA PRO A 25 -5.928 14.463 -4.719 1.00 0.00 C ATOM 284 C PRO A 25 -4.573 15.159 -4.909 1.00 0.00 C ATOM 285 O PRO A 25 -3.646 14.948 -4.125 1.00 0.00 O ATOM 286 CB PRO A 25 -6.712 15.100 -3.574 1.00 0.00 C ATOM 287 CG PRO A 25 -7.501 13.982 -2.988 1.00 0.00 C ATOM 288 CD PRO A 25 -6.653 12.752 -3.142 1.00 0.00 C ATOM 0 HA PRO A 25 -6.414 14.552 -5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.044 15.543 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.362 15.897 -3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.726 14.172 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.455 13.866 -3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.060 12.559 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.261 11.865 -3.319 1.00 0.00 H new ATOM 296 N ALA A 26 -4.485 15.987 -5.951 1.00 0.00 N ATOM 297 CA ALA A 26 -3.220 16.580 -6.402 1.00 0.00 C ATOM 298 C ALA A 26 -2.406 17.210 -5.270 1.00 0.00 C ATOM 299 O ALA A 26 -1.282 16.782 -4.993 1.00 0.00 O ATOM 300 CB ALA A 26 -3.491 17.616 -7.481 1.00 0.00 C ATOM 0 H ALA A 26 -5.291 16.268 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.618 15.764 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.548 18.052 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.986 17.139 -8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.133 18.400 -7.079 1.00 0.00 H new ATOM 306 N GLY A 27 -2.971 18.220 -4.621 1.00 0.00 N ATOM 307 CA GLY A 27 -2.255 18.919 -3.571 1.00 0.00 C ATOM 308 C GLY A 27 -2.264 18.146 -2.272 1.00 0.00 C ATOM 309 O GLY A 27 -1.367 18.293 -1.439 1.00 0.00 O ATOM 0 H GLY A 27 -3.912 18.568 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.225 19.089 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.706 19.899 -3.414 1.00 0.00 H new ATOM 313 N LYS A 28 -3.279 17.310 -2.106 1.00 0.00 N ATOM 314 CA LYS A 28 -3.411 16.481 -0.919 1.00 0.00 C ATOM 315 C LYS A 28 -2.307 15.424 -0.867 1.00 0.00 C ATOM 316 O LYS A 28 -2.011 14.867 0.192 1.00 0.00 O ATOM 317 CB LYS A 28 -4.772 15.805 -0.908 1.00 0.00 C ATOM 318 CG LYS A 28 -5.108 15.165 0.419 1.00 0.00 C ATOM 319 CD LYS A 28 -5.549 16.179 1.447 1.00 0.00 C ATOM 320 CE LYS A 28 -6.942 16.707 1.145 1.00 0.00 C ATOM 321 NZ LYS A 28 -7.469 17.540 2.254 1.00 0.00 N ATOM 0 H LYS A 28 -4.029 17.188 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.317 17.121 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.538 16.541 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.799 15.044 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.899 14.429 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.236 14.628 0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.538 15.724 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.841 17.008 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.916 17.296 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.617 15.870 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.421 17.881 2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.518 16.971 3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.839 18.353 2.407 1.00 0.00 H new ATOM 335 N ALA A 29 -1.696 15.165 -2.019 1.00 0.00 N ATOM 336 CA ALA A 29 -0.621 14.185 -2.125 1.00 0.00 C ATOM 337 C ALA A 29 0.555 14.549 -1.225 1.00 0.00 C ATOM 338 O ALA A 29 1.332 13.683 -0.828 1.00 0.00 O ATOM 339 CB ALA A 29 -0.162 14.052 -3.569 1.00 0.00 C ATOM 0 H ALA A 29 -1.930 15.625 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.013 13.224 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.640 13.317 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.998 13.728 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.201 15.016 -3.925 1.00 0.00 H new ATOM 345 N GLY A 30 0.668 15.829 -0.894 1.00 0.00 N ATOM 346 CA GLY A 30 1.706 16.273 0.016 1.00 0.00 C ATOM 347 C GLY A 30 1.588 15.620 1.382 1.00 0.00 C ATOM 348 O GLY A 30 2.580 15.453 2.084 1.00 0.00 O ATOM 0 H GLY A 30 0.058 16.569 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.683 16.045 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.651 17.356 0.127 1.00 0.00 H new ATOM 352 N LEU A 31 0.374 15.235 1.749 1.00 0.00 N ATOM 353 CA LEU A 31 0.133 14.593 3.033 1.00 0.00 C ATOM 354 C LEU A 31 0.326 13.084 2.926 1.00 0.00 C ATOM 355 O LEU A 31 0.778 12.440 3.874 1.00 0.00 O ATOM 356 CB LEU A 31 -1.282 14.906 3.528 1.00 0.00 C ATOM 357 CG LEU A 31 -1.566 16.387 3.794 1.00 0.00 C ATOM 358 CD1 LEU A 31 -2.998 16.578 4.266 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.587 16.942 4.817 1.00 0.00 C ATOM 0 H LEU A 31 -0.460 15.356 1.175 1.00 0.00 H new ATOM 0 HA LEU A 31 0.854 14.985 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.997 14.542 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.460 14.347 4.447 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.436 16.936 2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.182 17.636 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.685 16.218 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.155 16.017 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.804 17.996 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.685 16.390 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.431 16.839 4.440 1.00 0.00 H new ATOM 371 N VAL A 32 -0.012 12.527 1.767 1.00 0.00 N ATOM 372 CA VAL A 32 0.094 11.098 1.537 1.00 0.00 C ATOM 373 C VAL A 32 1.557 10.678 1.372 1.00 0.00 C ATOM 374 O VAL A 32 1.942 9.563 1.726 1.00 0.00 O ATOM 375 CB VAL A 32 -0.735 10.690 0.298 1.00 0.00 C ATOM 376 CG1 VAL A 32 0.055 10.813 -0.989 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.290 9.295 0.464 1.00 0.00 C ATOM 0 H VAL A 32 -0.365 13.054 0.968 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.308 10.580 2.408 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.569 11.388 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.571 10.515 -1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.374 11.847 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.931 10.166 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.870 9.027 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.469 8.589 0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.932 9.261 1.344 1.00 0.00 H new ATOM 387 N ILE A 33 2.364 11.581 0.830 1.00 0.00 N ATOM 388 CA ILE A 33 3.793 11.340 0.694 1.00 0.00 C ATOM 389 C ILE A 33 4.507 11.715 1.986 1.00 0.00 C ATOM 390 O ILE A 33 5.366 10.977 2.480 1.00 0.00 O ATOM 391 CB ILE A 33 4.393 12.126 -0.495 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.713 11.706 -1.804 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.899 11.910 -0.580 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.180 12.490 -3.011 1.00 0.00 C ATOM 0 H ILE A 33 2.053 12.486 0.478 1.00 0.00 H new ATOM 0 HA ILE A 33 3.937 10.278 0.494 1.00 0.00 H new ATOM 0 HB ILE A 33 4.212 13.189 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.899 10.646 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.635 11.827 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.300 12.472 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.368 12.254 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.107 10.849 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.656 12.137 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.969 13.549 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.253 12.349 -3.143 1.00 0.00 H new ATOM 406 N GLY A 34 4.145 12.860 2.539 1.00 0.00 N ATOM 407 CA GLY A 34 4.677 13.247 3.821 1.00 0.00 C ATOM 408 C GLY A 34 5.175 14.668 3.845 1.00 0.00 C ATOM 409 O GLY A 34 5.302 15.310 2.804 1.00 0.00 O ATOM 0 H GLY A 34 3.494 13.525 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.905 13.125 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.494 12.577 4.087 1.00 0.00 H new ATOM 413 N LYS A 35 5.486 15.145 5.040 1.00 0.00 N ATOM 414 CA LYS A 35 5.963 16.507 5.228 1.00 0.00 C ATOM 415 C LYS A 35 7.359 16.653 4.637 1.00 0.00 C ATOM 416 O LYS A 35 7.756 17.734 4.211 1.00 0.00 O ATOM 417 CB LYS A 35 5.972 16.884 6.718 1.00 0.00 C ATOM 418 CG LYS A 35 4.587 17.080 7.335 1.00 0.00 C ATOM 419 CD LYS A 35 3.805 15.776 7.454 1.00 0.00 C ATOM 420 CE LYS A 35 4.488 14.788 8.387 1.00 0.00 C ATOM 421 NZ LYS A 35 3.741 13.505 8.484 1.00 0.00 N ATOM 0 H LYS A 35 5.416 14.604 5.902 1.00 0.00 H new ATOM 0 HA LYS A 35 5.284 17.186 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.495 16.105 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.544 17.803 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.694 17.526 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.020 17.785 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.801 15.987 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.696 15.327 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.499 14.593 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.580 15.230 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.960 13.044 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.720 13.693 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.021 12.880 7.701 1.00 0.00 H new ATOM 435 N GLY A 36 8.097 15.552 4.623 1.00 0.00 N ATOM 436 CA GLY A 36 9.404 15.543 4.001 1.00 0.00 C ATOM 437 C GLY A 36 9.612 14.294 3.175 1.00 0.00 C ATOM 438 O GLY A 36 10.744 13.924 2.860 1.00 0.00 O ATOM 0 H GLY A 36 7.812 14.663 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.513 16.423 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.175 15.606 4.769 1.00 0.00 H new ATOM 442 N GLY A 37 8.510 13.640 2.823 1.00 0.00 N ATOM 443 CA GLY A 37 8.587 12.390 2.086 1.00 0.00 C ATOM 444 C GLY A 37 8.930 11.219 2.985 1.00 0.00 C ATOM 445 O GLY A 37 9.147 10.106 2.520 1.00 0.00 O ATOM 0 H GLY A 37 7.563 13.953 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.633 12.201 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.339 12.477 1.302 1.00 0.00 H new ATOM 449 N GLU A 38 8.981 11.486 4.279 1.00 0.00 N ATOM 450 CA GLU A 38 9.327 10.475 5.271 1.00 0.00 C ATOM 451 C GLU A 38 8.104 9.666 5.697 1.00 0.00 C ATOM 452 O GLU A 38 8.225 8.523 6.141 1.00 0.00 O ATOM 453 CB GLU A 38 9.991 11.138 6.487 1.00 0.00 C ATOM 454 CG GLU A 38 9.576 12.591 6.735 1.00 0.00 C ATOM 455 CD GLU A 38 8.086 12.768 6.941 1.00 0.00 C ATOM 456 OE1 GLU A 38 7.610 12.567 8.076 1.00 0.00 O ATOM 457 OE2 GLU A 38 7.383 13.105 5.965 1.00 0.00 O ATOM 0 H GLU A 38 8.785 12.406 4.673 1.00 0.00 H new ATOM 0 HA GLU A 38 10.034 9.781 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.757 10.552 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.073 11.101 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.103 12.966 7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.892 13.200 5.888 1.00 0.00 H new ATOM 464 N THR A 39 6.929 10.260 5.542 1.00 0.00 N ATOM 465 CA THR A 39 5.688 9.636 5.977 1.00 0.00 C ATOM 466 C THR A 39 5.407 8.356 5.191 1.00 0.00 C ATOM 467 O THR A 39 5.140 7.308 5.781 1.00 0.00 O ATOM 468 CB THR A 39 4.507 10.613 5.828 1.00 0.00 C ATOM 469 OG1 THR A 39 4.819 11.844 6.499 1.00 0.00 O ATOM 470 CG2 THR A 39 3.228 10.024 6.406 1.00 0.00 C ATOM 0 H THR A 39 6.809 11.179 5.116 1.00 0.00 H new ATOM 0 HA THR A 39 5.802 9.375 7.029 1.00 0.00 H new ATOM 0 HB THR A 39 4.345 10.798 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.665 12.199 6.155 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.412 10.737 6.286 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.983 9.101 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.371 9.812 7.466 1.00 0.00 H new ATOM 478 N ILE A 40 5.504 8.442 3.865 1.00 0.00 N ATOM 479 CA ILE A 40 5.268 7.296 2.982 1.00 0.00 C ATOM 480 C ILE A 40 6.167 6.110 3.348 1.00 0.00 C ATOM 481 O ILE A 40 5.785 4.949 3.188 1.00 0.00 O ATOM 482 CB ILE A 40 5.492 7.691 1.501 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.324 6.482 0.571 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.864 8.326 1.309 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.630 6.780 -0.886 1.00 0.00 C ATOM 0 H ILE A 40 5.747 9.302 3.373 1.00 0.00 H new ATOM 0 HA ILE A 40 4.230 6.990 3.116 1.00 0.00 H new ATOM 0 HB ILE A 40 4.732 8.427 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.978 5.679 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.301 6.115 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.997 8.594 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.940 9.222 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.638 7.617 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.489 5.877 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.959 7.560 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.662 7.118 -0.979 1.00 0.00 H new ATOM 497 N LYS A 41 7.346 6.413 3.870 1.00 0.00 N ATOM 498 CA LYS A 41 8.309 5.392 4.242 1.00 0.00 C ATOM 499 C LYS A 41 7.859 4.702 5.526 1.00 0.00 C ATOM 500 O LYS A 41 7.960 3.483 5.659 1.00 0.00 O ATOM 501 CB LYS A 41 9.696 6.032 4.406 1.00 0.00 C ATOM 502 CG LYS A 41 10.850 5.042 4.502 1.00 0.00 C ATOM 503 CD LYS A 41 11.007 4.468 5.902 1.00 0.00 C ATOM 504 CE LYS A 41 12.255 3.607 6.013 1.00 0.00 C ATOM 505 NZ LYS A 41 12.227 2.456 5.072 1.00 0.00 N ATOM 0 H LYS A 41 7.659 7.368 4.046 1.00 0.00 H new ATOM 0 HA LYS A 41 8.372 4.637 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.876 6.697 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.691 6.651 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.687 4.229 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.776 5.538 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.059 5.281 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.129 3.873 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.135 4.218 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.350 3.238 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.037 1.832 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.342 1.924 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.282 2.806 4.094 1.00 0.00 H new ATOM 519 N GLN A 42 7.326 5.489 6.454 1.00 0.00 N ATOM 520 CA GLN A 42 6.860 4.961 7.731 1.00 0.00 C ATOM 521 C GLN A 42 5.644 4.076 7.537 1.00 0.00 C ATOM 522 O GLN A 42 5.474 3.076 8.231 1.00 0.00 O ATOM 523 CB GLN A 42 6.510 6.095 8.691 1.00 0.00 C ATOM 524 CG GLN A 42 7.711 6.902 9.147 1.00 0.00 C ATOM 525 CD GLN A 42 7.388 7.840 10.294 1.00 0.00 C ATOM 526 OE1 GLN A 42 6.156 8.320 10.349 1.00 0.00 O flip ATOM 527 NE2 GLN A 42 8.244 8.132 11.127 1.00 0.00 N flip ATOM 0 H GLN A 42 7.206 6.496 6.346 1.00 0.00 H new ATOM 0 HA GLN A 42 7.669 4.368 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.798 6.763 8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.011 5.678 9.565 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.505 6.221 9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.094 7.481 8.307 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.183 7.742 11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.015 8.764 11.894 1.00 0.00 H new ATOM 536 N LEU A 43 4.804 4.454 6.584 1.00 0.00 N ATOM 537 CA LEU A 43 3.585 3.715 6.292 1.00 0.00 C ATOM 538 C LEU A 43 3.912 2.275 5.919 1.00 0.00 C ATOM 539 O LEU A 43 3.253 1.334 6.372 1.00 0.00 O ATOM 540 CB LEU A 43 2.822 4.382 5.149 1.00 0.00 C ATOM 541 CG LEU A 43 2.537 5.878 5.329 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.913 6.456 4.070 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.631 6.112 6.533 1.00 0.00 C ATOM 0 H LEU A 43 4.947 5.275 5.996 1.00 0.00 H new ATOM 0 HA LEU A 43 2.961 3.716 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.390 4.246 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.873 3.863 5.017 1.00 0.00 H new ATOM 0 HG LEU A 43 3.483 6.388 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.717 7.518 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.597 6.324 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.976 5.940 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.441 7.180 6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.686 5.589 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.117 5.735 7.433 1.00 0.00 H new ATOM 555 N GLN A 44 4.949 2.115 5.107 1.00 0.00 N ATOM 556 CA GLN A 44 5.391 0.800 4.667 1.00 0.00 C ATOM 557 C GLN A 44 5.848 -0.039 5.856 1.00 0.00 C ATOM 558 O GLN A 44 5.566 -1.234 5.934 1.00 0.00 O ATOM 559 CB GLN A 44 6.543 0.936 3.671 1.00 0.00 C ATOM 560 CG GLN A 44 6.234 1.838 2.488 1.00 0.00 C ATOM 561 CD GLN A 44 7.430 2.031 1.577 1.00 0.00 C ATOM 562 OE1 GLN A 44 8.272 1.140 1.438 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.532 3.202 0.974 1.00 0.00 N ATOM 0 H GLN A 44 5.503 2.888 4.738 1.00 0.00 H new ATOM 0 HA GLN A 44 4.550 0.303 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.417 1.325 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.808 -0.054 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.410 1.411 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.899 2.809 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.814 3.913 1.115 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.329 3.396 0.367 1.00 0.00 H new ATOM 572 N GLU A 45 6.540 0.605 6.788 1.00 0.00 N ATOM 573 CA GLU A 45 7.100 -0.084 7.944 1.00 0.00 C ATOM 574 C GLU A 45 6.015 -0.453 8.951 1.00 0.00 C ATOM 575 O GLU A 45 5.910 -1.605 9.374 1.00 0.00 O ATOM 576 CB GLU A 45 8.148 0.798 8.633 1.00 0.00 C ATOM 577 CG GLU A 45 9.209 1.347 7.695 1.00 0.00 C ATOM 578 CD GLU A 45 9.898 0.265 6.893 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.573 -0.596 7.500 1.00 0.00 O ATOM 580 OE2 GLU A 45 9.767 0.265 5.653 1.00 0.00 O ATOM 0 H GLU A 45 6.727 1.607 6.765 1.00 0.00 H new ATOM 0 HA GLU A 45 7.568 -1.000 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.642 1.632 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.636 0.219 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.750 2.062 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.953 1.893 8.275 1.00 0.00 H new ATOM 587 N ARG A 46 5.204 0.533 9.320 1.00 0.00 N ATOM 588 CA ARG A 46 4.235 0.372 10.404 1.00 0.00 C ATOM 589 C ARG A 46 3.137 -0.630 10.054 1.00 0.00 C ATOM 590 O ARG A 46 2.694 -1.395 10.910 1.00 0.00 O ATOM 591 CB ARG A 46 3.615 1.723 10.788 1.00 0.00 C ATOM 592 CG ARG A 46 2.789 2.378 9.691 1.00 0.00 C ATOM 593 CD ARG A 46 2.151 3.668 10.180 1.00 0.00 C ATOM 594 NE ARG A 46 1.201 3.434 11.271 1.00 0.00 N ATOM 595 CZ ARG A 46 0.591 4.404 11.953 1.00 0.00 C ATOM 596 NH1 ARG A 46 0.849 5.677 11.676 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.279 4.098 12.909 1.00 0.00 N ATOM 0 H ARG A 46 5.197 1.455 8.884 1.00 0.00 H new ATOM 0 HA ARG A 46 4.782 -0.025 11.259 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.983 1.581 11.665 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.414 2.405 11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.424 2.587 8.830 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.013 1.690 9.356 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.930 4.352 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.638 4.155 9.351 1.00 0.00 H new ATOM 0 HE ARG A 46 0.993 2.468 11.525 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.515 5.914 10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.381 6.418 12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.481 3.121 13.122 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.746 4.840 13.431 1.00 0.00 H new ATOM 611 N ALA A 47 2.702 -0.635 8.804 1.00 0.00 N ATOM 612 CA ALA A 47 1.610 -1.508 8.398 1.00 0.00 C ATOM 613 C ALA A 47 2.132 -2.806 7.790 1.00 0.00 C ATOM 614 O ALA A 47 1.390 -3.775 7.633 1.00 0.00 O ATOM 615 CB ALA A 47 0.686 -0.791 7.424 1.00 0.00 C ATOM 0 H ALA A 47 3.083 -0.051 8.059 1.00 0.00 H new ATOM 0 HA ALA A 47 1.040 -1.766 9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.124 -1.459 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.270 0.096 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.249 -0.495 6.539 1.00 0.00 H new ATOM 621 N GLY A 48 3.423 -2.820 7.475 1.00 0.00 N ATOM 622 CA GLY A 48 4.016 -3.965 6.814 1.00 0.00 C ATOM 623 C GLY A 48 3.516 -4.098 5.393 1.00 0.00 C ATOM 624 O GLY A 48 3.404 -5.205 4.864 1.00 0.00 O ATOM 0 H GLY A 48 4.070 -2.055 7.667 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.101 -3.865 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.780 -4.872 7.371 1.00 0.00 H new ATOM 628 N VAL A 49 3.212 -2.959 4.784 1.00 0.00 N ATOM 629 CA VAL A 49 2.633 -2.921 3.450 1.00 0.00 C ATOM 630 C VAL A 49 3.613 -2.308 2.465 1.00 0.00 C ATOM 631 O VAL A 49 4.615 -1.710 2.861 1.00 0.00 O ATOM 632 CB VAL A 49 1.330 -2.083 3.413 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.273 -2.675 4.325 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.605 -0.632 3.787 1.00 0.00 C ATOM 0 H VAL A 49 3.360 -2.040 5.200 1.00 0.00 H new ATOM 0 HA VAL A 49 2.406 -3.951 3.176 1.00 0.00 H new ATOM 0 HB VAL A 49 0.950 -2.108 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.630 -2.066 4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.043 -3.691 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.645 -2.694 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.675 -0.065 3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.021 -0.588 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.317 -0.203 3.082 1.00 0.00 H new ATOM 644 N LYS A 50 3.328 -2.456 1.187 1.00 0.00 N ATOM 645 CA LYS A 50 4.082 -1.758 0.171 1.00 0.00 C ATOM 646 C LYS A 50 3.187 -0.719 -0.479 1.00 0.00 C ATOM 647 O LYS A 50 2.116 -1.044 -0.987 1.00 0.00 O ATOM 648 CB LYS A 50 4.617 -2.726 -0.887 1.00 0.00 C ATOM 649 CG LYS A 50 5.432 -2.035 -1.971 1.00 0.00 C ATOM 650 CD LYS A 50 5.940 -3.021 -3.004 1.00 0.00 C ATOM 651 CE LYS A 50 6.771 -2.327 -4.070 1.00 0.00 C ATOM 652 NZ LYS A 50 7.349 -3.300 -5.033 1.00 0.00 N ATOM 0 H LYS A 50 2.581 -3.052 0.830 1.00 0.00 H new ATOM 0 HA LYS A 50 4.939 -1.274 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.236 -3.480 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.780 -3.250 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.819 -1.278 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.276 -1.516 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.541 -3.787 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.096 -3.528 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.150 -1.609 -4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.574 -1.763 -3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.910 -2.791 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.961 -3.970 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.581 -3.821 -5.503 1.00 0.00 H new ATOM 666 N MET A 51 3.614 0.529 -0.449 1.00 0.00 N ATOM 667 CA MET A 51 2.851 1.596 -1.066 1.00 0.00 C ATOM 668 C MET A 51 3.711 2.323 -2.077 1.00 0.00 C ATOM 669 O MET A 51 4.711 2.948 -1.723 1.00 0.00 O ATOM 670 CB MET A 51 2.330 2.583 -0.016 1.00 0.00 C ATOM 671 CG MET A 51 1.399 1.953 1.010 1.00 0.00 C ATOM 672 SD MET A 51 0.749 3.151 2.189 1.00 0.00 S ATOM 673 CE MET A 51 -0.044 4.312 1.079 1.00 0.00 C ATOM 0 H MET A 51 4.482 0.828 -0.005 1.00 0.00 H new ATOM 0 HA MET A 51 1.992 1.154 -1.570 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.179 3.029 0.503 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.804 3.393 -0.521 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.569 1.471 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.935 1.172 1.550 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.036 4.558 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.555 5.220 1.014 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.134 3.865 0.089 1.00 0.00 H new ATOM 683 N ILE A 52 3.323 2.232 -3.332 1.00 0.00 N ATOM 684 CA ILE A 52 4.040 2.909 -4.389 1.00 0.00 C ATOM 685 C ILE A 52 3.262 4.139 -4.841 1.00 0.00 C ATOM 686 O ILE A 52 2.214 4.037 -5.487 1.00 0.00 O ATOM 687 CB ILE A 52 4.335 1.965 -5.586 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.944 2.750 -6.758 1.00 0.00 C ATOM 689 CG2 ILE A 52 3.079 1.221 -6.022 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.300 1.890 -7.953 1.00 0.00 C ATOM 0 H ILE A 52 2.514 1.695 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 52 5.004 3.227 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 52 5.063 1.223 -5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.239 3.519 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.841 3.263 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.316 0.568 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.704 0.623 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.317 1.939 -6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.724 2.516 -8.738 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.030 1.137 -7.655 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.403 1.397 -8.327 1.00 0.00 H new ATOM 702 N LEU A 53 3.752 5.303 -4.449 1.00 0.00 N ATOM 703 CA LEU A 53 3.147 6.555 -4.862 1.00 0.00 C ATOM 704 C LEU A 53 3.566 6.878 -6.287 1.00 0.00 C ATOM 705 O LEU A 53 4.690 7.320 -6.530 1.00 0.00 O ATOM 706 CB LEU A 53 3.556 7.691 -3.912 1.00 0.00 C ATOM 707 CG LEU A 53 2.529 8.064 -2.836 1.00 0.00 C ATOM 708 CD1 LEU A 53 1.203 8.449 -3.475 1.00 0.00 C ATOM 709 CD2 LEU A 53 2.339 6.925 -1.848 1.00 0.00 C ATOM 0 H LEU A 53 4.568 5.406 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 53 2.062 6.455 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.486 7.409 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.768 8.579 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 53 2.910 8.925 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.486 8.711 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.351 9.305 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.820 7.608 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.606 7.215 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.986 6.040 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.289 6.702 -1.362 1.00 0.00 H new ATOM 721 N ILE A 54 2.665 6.643 -7.229 1.00 0.00 N ATOM 722 CA ILE A 54 2.957 6.874 -8.630 1.00 0.00 C ATOM 723 C ILE A 54 2.638 8.320 -8.983 1.00 0.00 C ATOM 724 O ILE A 54 1.546 8.642 -9.454 1.00 0.00 O ATOM 725 CB ILE A 54 2.146 5.913 -9.531 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.394 4.461 -9.109 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.511 6.107 -10.994 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.550 3.451 -9.858 1.00 0.00 C ATOM 0 H ILE A 54 1.725 6.292 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 54 4.016 6.682 -8.802 1.00 0.00 H new ATOM 0 HB ILE A 54 1.087 6.140 -9.412 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.447 4.224 -9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.196 4.364 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.928 5.421 -11.608 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.294 7.133 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.573 5.906 -11.134 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.783 2.447 -9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.494 3.660 -9.686 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.764 3.517 -10.925 1.00 0.00 H new ATOM 740 N GLN A 55 3.602 9.194 -8.753 1.00 0.00 N ATOM 741 CA GLN A 55 3.403 10.612 -8.989 1.00 0.00 C ATOM 742 C GLN A 55 4.214 11.080 -10.188 1.00 0.00 C ATOM 743 O GLN A 55 3.954 12.141 -10.748 1.00 0.00 O ATOM 744 CB GLN A 55 3.746 11.421 -7.731 1.00 0.00 C ATOM 745 CG GLN A 55 5.121 11.132 -7.155 1.00 0.00 C ATOM 746 CD GLN A 55 5.995 12.370 -7.103 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.866 13.270 -7.933 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.879 12.429 -6.123 1.00 0.00 N ATOM 0 H GLN A 55 4.528 8.947 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 55 2.351 10.780 -9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.680 12.483 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.995 11.218 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.013 10.724 -6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.612 10.368 -7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.953 11.661 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.487 13.243 -6.033 1.00 0.00 H new ATOM 757 N ASP A 56 5.193 10.280 -10.583 1.00 0.00 N ATOM 758 CA ASP A 56 5.973 10.564 -11.782 1.00 0.00 C ATOM 759 C ASP A 56 5.474 9.717 -12.944 1.00 0.00 C ATOM 760 O ASP A 56 5.468 10.158 -14.092 1.00 0.00 O ATOM 761 CB ASP A 56 7.464 10.290 -11.557 1.00 0.00 C ATOM 762 CG ASP A 56 8.068 11.163 -10.478 1.00 0.00 C ATOM 763 OD1 ASP A 56 8.293 12.365 -10.737 1.00 0.00 O ATOM 764 OD2 ASP A 56 8.337 10.643 -9.376 1.00 0.00 O ATOM 0 H ASP A 56 5.467 9.429 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 56 5.848 11.621 -12.016 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.599 9.243 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.003 10.451 -12.491 1.00 0.00 H new ATOM 769 N GLY A 57 5.030 8.503 -12.633 1.00 0.00 N ATOM 770 CA GLY A 57 4.579 7.588 -13.668 1.00 0.00 C ATOM 771 C GLY A 57 3.121 7.790 -14.028 1.00 0.00 C ATOM 772 O GLY A 57 2.384 6.827 -14.255 1.00 0.00 O ATOM 0 H GLY A 57 4.974 8.136 -11.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.192 7.723 -14.559 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.728 6.562 -13.331 1.00 0.00 H new ATOM 776 N SER A 58 2.702 9.040 -14.076 1.00 0.00 N ATOM 777 CA SER A 58 1.328 9.370 -14.389 1.00 0.00 C ATOM 778 C SER A 58 1.261 10.544 -15.359 1.00 0.00 C ATOM 779 O SER A 58 2.102 11.442 -15.324 1.00 0.00 O ATOM 780 CB SER A 58 0.568 9.680 -13.097 1.00 0.00 C ATOM 781 OG SER A 58 1.375 10.417 -12.189 1.00 0.00 O ATOM 0 H SER A 58 3.300 9.848 -13.901 1.00 0.00 H new ATOM 0 HA SER A 58 0.859 8.515 -14.876 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.333 10.248 -13.330 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.247 8.749 -12.629 1.00 0.00 H new ATOM 0 HG SER A 58 1.468 9.915 -11.353 1.00 0.00 H new ATOM 787 N GLN A 59 0.261 10.517 -16.231 1.00 0.00 N ATOM 788 CA GLN A 59 0.049 11.582 -17.198 1.00 0.00 C ATOM 789 C GLN A 59 -1.035 12.507 -16.682 1.00 0.00 C ATOM 790 O GLN A 59 -1.199 13.634 -17.149 1.00 0.00 O ATOM 791 CB GLN A 59 -0.292 11.022 -18.591 1.00 0.00 C ATOM 792 CG GLN A 59 -1.066 9.705 -18.599 1.00 0.00 C ATOM 793 CD GLN A 59 -2.471 9.824 -18.042 1.00 0.00 C ATOM 794 OE1 GLN A 59 -2.699 9.611 -16.853 1.00 0.00 O ATOM 795 NE2 GLN A 59 -3.422 10.165 -18.897 1.00 0.00 N ATOM 0 H GLN A 59 -0.421 9.761 -16.287 1.00 0.00 H new ATOM 0 HA GLN A 59 0.972 12.149 -17.316 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.874 11.769 -19.131 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.637 10.881 -19.144 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.120 9.331 -19.621 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.515 8.966 -18.018 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.191 10.333 -19.876 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.386 10.260 -18.577 1.00 0.00 H new ATOM 804 N ASN A 60 -1.767 12.004 -15.699 1.00 0.00 N ATOM 805 CA ASN A 60 -2.657 12.812 -14.893 1.00 0.00 C ATOM 806 C ASN A 60 -1.910 13.215 -13.627 1.00 0.00 C ATOM 807 O ASN A 60 -2.496 13.409 -12.566 1.00 0.00 O ATOM 808 CB ASN A 60 -3.942 12.043 -14.543 1.00 0.00 C ATOM 809 CG ASN A 60 -3.692 10.792 -13.720 1.00 0.00 C ATOM 810 OD1 ASN A 60 -2.646 10.148 -13.831 1.00 0.00 O ATOM 811 ND2 ASN A 60 -4.658 10.437 -12.891 1.00 0.00 N ATOM 0 H ASN A 60 -1.757 11.017 -15.440 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.958 13.698 -15.452 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.613 12.703 -13.993 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.453 11.766 -15.465 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.553 9.603 -12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.508 10.997 -12.829 1.00 0.00 H new ATOM 818 N THR A 61 -0.594 13.337 -13.768 1.00 0.00 N ATOM 819 CA THR A 61 0.291 13.680 -12.663 1.00 0.00 C ATOM 820 C THR A 61 -0.067 15.040 -12.071 1.00 0.00 C ATOM 821 O THR A 61 0.293 15.351 -10.941 1.00 0.00 O ATOM 822 CB THR A 61 1.768 13.691 -13.126 1.00 0.00 C ATOM 823 OG1 THR A 61 2.635 14.006 -12.031 1.00 0.00 O ATOM 824 CG2 THR A 61 1.985 14.693 -14.253 1.00 0.00 C ATOM 0 H THR A 61 -0.111 13.200 -14.656 1.00 0.00 H new ATOM 0 HA THR A 61 0.162 12.919 -11.894 1.00 0.00 H new ATOM 0 HB THR A 61 2.004 12.694 -13.497 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.947 13.177 -11.612 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.032 14.678 -14.557 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.357 14.426 -15.103 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.722 15.693 -13.907 1.00 0.00 H new ATOM 832 N ASN A 62 -0.797 15.836 -12.833 1.00 0.00 N ATOM 833 CA ASN A 62 -1.173 17.175 -12.376 1.00 0.00 C ATOM 834 C ASN A 62 -2.469 17.147 -11.575 1.00 0.00 C ATOM 835 O ASN A 62 -2.929 18.180 -11.084 1.00 0.00 O ATOM 836 CB ASN A 62 -1.300 18.152 -13.547 1.00 0.00 C ATOM 837 CG ASN A 62 0.037 18.471 -14.185 1.00 0.00 C ATOM 838 OD1 ASN A 62 0.759 19.360 -13.728 1.00 0.00 O ATOM 839 ND2 ASN A 62 0.370 17.763 -15.252 1.00 0.00 N ATOM 0 H ASN A 62 -1.141 15.589 -13.761 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.373 17.523 -11.723 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.966 17.728 -14.299 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.761 19.075 -13.197 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.253 17.944 -15.729 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.257 17.036 -15.598 1.00 0.00 H new ATOM 846 N VAL A 63 -3.054 15.965 -11.443 1.00 0.00 N ATOM 847 CA VAL A 63 -4.285 15.799 -10.684 1.00 0.00 C ATOM 848 C VAL A 63 -4.173 14.596 -9.750 1.00 0.00 C ATOM 849 O VAL A 63 -3.134 14.387 -9.119 1.00 0.00 O ATOM 850 CB VAL A 63 -5.518 15.628 -11.611 1.00 0.00 C ATOM 851 CG1 VAL A 63 -5.797 16.899 -12.390 1.00 0.00 C ATOM 852 CG2 VAL A 63 -5.330 14.464 -12.564 1.00 0.00 C ATOM 0 H VAL A 63 -2.694 15.104 -11.854 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.429 16.706 -10.097 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.377 15.417 -10.974 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.666 16.750 -13.031 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.994 17.716 -11.695 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.931 17.147 -13.004 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.210 14.369 -13.200 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.451 14.640 -13.184 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.194 13.545 -11.994 1.00 0.00 H new ATOM 862 N ASP A 64 -5.259 13.835 -9.662 1.00 0.00 N ATOM 863 CA ASP A 64 -5.337 12.637 -8.839 1.00 0.00 C ATOM 864 C ASP A 64 -4.166 11.686 -9.099 1.00 0.00 C ATOM 865 O ASP A 64 -3.784 11.437 -10.241 1.00 0.00 O ATOM 866 CB ASP A 64 -6.662 11.922 -9.104 1.00 0.00 C ATOM 867 CG ASP A 64 -7.868 12.757 -8.711 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.086 13.827 -9.325 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.608 12.349 -7.795 1.00 0.00 O ATOM 0 H ASP A 64 -6.121 14.037 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.282 12.943 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.729 11.670 -10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.680 10.983 -8.551 1.00 0.00 H new ATOM 874 N LYS A 65 -3.623 11.154 -8.017 1.00 0.00 N ATOM 875 CA LYS A 65 -2.424 10.324 -8.052 1.00 0.00 C ATOM 876 C LYS A 65 -2.769 8.845 -7.999 1.00 0.00 C ATOM 877 O LYS A 65 -3.506 8.411 -7.116 1.00 0.00 O ATOM 878 CB LYS A 65 -1.533 10.640 -6.848 1.00 0.00 C ATOM 879 CG LYS A 65 -1.280 12.121 -6.632 1.00 0.00 C ATOM 880 CD LYS A 65 -0.381 12.704 -7.701 1.00 0.00 C ATOM 881 CE LYS A 65 -0.135 14.182 -7.444 1.00 0.00 C ATOM 882 NZ LYS A 65 0.788 14.785 -8.436 1.00 0.00 N ATOM 0 H LYS A 65 -4.003 11.285 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.908 10.543 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.994 10.227 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.576 10.134 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.231 12.654 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.825 12.272 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.569 12.169 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.839 12.571 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.086 14.715 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.278 14.310 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.923 15.793 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.705 14.297 -8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.384 14.689 -9.389 1.00 0.00 H new ATOM 896 N PRO A 66 -2.247 8.060 -8.946 1.00 0.00 N ATOM 897 CA PRO A 66 -2.312 6.595 -8.892 1.00 0.00 C ATOM 898 C PRO A 66 -1.513 6.035 -7.710 1.00 0.00 C ATOM 899 O PRO A 66 -0.289 6.168 -7.657 1.00 0.00 O ATOM 900 CB PRO A 66 -1.669 6.162 -10.215 1.00 0.00 C ATOM 901 CG PRO A 66 -1.744 7.364 -11.090 1.00 0.00 C ATOM 902 CD PRO A 66 -1.585 8.532 -10.168 1.00 0.00 C ATOM 0 HA PRO A 66 -3.331 6.232 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.637 5.845 -10.067 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.201 5.319 -10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.959 7.350 -11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.696 7.407 -11.619 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.536 8.773 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.057 9.430 -10.565 1.00 0.00 H new ATOM 910 N LEU A 67 -2.201 5.426 -6.757 1.00 0.00 N ATOM 911 CA LEU A 67 -1.542 4.853 -5.590 1.00 0.00 C ATOM 912 C LEU A 67 -1.859 3.372 -5.454 1.00 0.00 C ATOM 913 O LEU A 67 -3.020 2.983 -5.428 1.00 0.00 O ATOM 914 CB LEU A 67 -1.972 5.589 -4.317 1.00 0.00 C ATOM 915 CG LEU A 67 -1.590 4.897 -3.003 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.081 4.766 -2.877 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.165 5.652 -1.815 1.00 0.00 C ATOM 0 H LEU A 67 -3.215 5.315 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.467 4.968 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.531 6.586 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.054 5.719 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.016 3.894 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.164 4.272 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.304 4.175 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.373 5.757 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.883 5.146 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.773 6.669 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.252 5.683 -1.895 1.00 0.00 H new ATOM 929 N ARG A 68 -0.826 2.550 -5.352 1.00 0.00 N ATOM 930 CA ARG A 68 -1.016 1.123 -5.133 1.00 0.00 C ATOM 931 C ARG A 68 -0.600 0.714 -3.729 1.00 0.00 C ATOM 932 O ARG A 68 0.571 0.835 -3.359 1.00 0.00 O ATOM 933 CB ARG A 68 -0.235 0.292 -6.151 1.00 0.00 C ATOM 934 CG ARG A 68 -0.854 0.287 -7.533 1.00 0.00 C ATOM 935 CD ARG A 68 -0.163 -0.699 -8.460 1.00 0.00 C ATOM 936 NE ARG A 68 -0.747 -0.681 -9.803 1.00 0.00 N ATOM 937 CZ ARG A 68 -0.395 -1.513 -10.781 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.509 -2.462 -10.568 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.972 -1.414 -11.969 1.00 0.00 N ATOM 0 H ARG A 68 0.149 2.844 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.081 0.928 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.782 0.678 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.163 -0.734 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.911 0.033 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.797 1.288 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.898 -0.458 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.238 -1.704 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.468 0.012 -10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.940 -2.558 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.772 -3.095 -11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.684 -0.702 -12.133 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.705 -2.050 -12.720 1.00 0.00 H new ATOM 953 N ILE A 69 -1.565 0.250 -2.947 1.00 0.00 N ATOM 954 CA ILE A 69 -1.276 -0.357 -1.655 1.00 0.00 C ATOM 955 C ILE A 69 -1.259 -1.869 -1.827 1.00 0.00 C ATOM 956 O ILE A 69 -2.273 -2.468 -2.186 1.00 0.00 O ATOM 957 CB ILE A 69 -2.308 0.017 -0.560 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.458 1.536 -0.419 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.901 -0.592 0.774 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.408 2.149 -1.423 1.00 0.00 C ATOM 0 H ILE A 69 -2.556 0.282 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.310 0.023 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.274 -0.387 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.809 1.766 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.478 2.001 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.633 -0.323 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.857 -1.677 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.921 -0.213 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.463 3.226 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.048 1.951 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.399 1.713 -1.300 1.00 0.00 H new ATOM 972 N ILE A 70 -0.102 -2.472 -1.608 1.00 0.00 N ATOM 973 CA ILE A 70 0.079 -3.894 -1.852 1.00 0.00 C ATOM 974 C ILE A 70 0.464 -4.615 -0.562 1.00 0.00 C ATOM 975 O ILE A 70 1.227 -4.086 0.250 1.00 0.00 O ATOM 976 CB ILE A 70 1.180 -4.131 -2.913 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.014 -3.158 -4.085 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.131 -5.565 -3.417 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.127 -3.240 -5.108 1.00 0.00 C ATOM 0 H ILE A 70 0.730 -1.996 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.867 -4.291 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 70 2.149 -3.955 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.063 -3.358 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.964 -2.141 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.912 -5.715 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.289 -6.249 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.157 -5.760 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.940 -2.522 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.079 -3.011 -4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.164 -4.246 -5.525 1.00 0.00 H new ATOM 991 N GLY A 71 -0.080 -5.808 -0.369 1.00 0.00 N ATOM 992 CA GLY A 71 0.272 -6.608 0.788 1.00 0.00 C ATOM 993 C GLY A 71 -0.798 -7.626 1.126 1.00 0.00 C ATOM 994 O GLY A 71 -1.619 -7.973 0.272 1.00 0.00 O ATOM 0 H GLY A 71 -0.761 -6.238 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.214 -7.123 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.433 -5.954 1.645 1.00 0.00 H new ATOM 998 N ASP A 72 -0.784 -8.116 2.361 1.00 0.00 N ATOM 999 CA ASP A 72 -1.817 -9.004 2.848 1.00 0.00 C ATOM 1000 C ASP A 72 -3.150 -8.264 2.817 1.00 0.00 C ATOM 1001 O ASP A 72 -3.204 -7.093 3.188 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.529 -9.450 4.291 1.00 0.00 C ATOM 1003 CG ASP A 72 -0.137 -10.020 4.517 1.00 0.00 C ATOM 1004 OD1 ASP A 72 0.856 -9.317 4.222 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -0.035 -11.155 5.035 1.00 0.00 O ATOM 0 H ASP A 72 -0.057 -7.906 3.045 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.847 -9.889 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.669 -8.597 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.265 -10.201 4.578 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.229 -8.915 2.372 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.527 -8.259 2.169 1.00 0.00 C ATOM 1012 C PRO A 73 -5.923 -7.288 3.288 1.00 0.00 C ATOM 1013 O PRO A 73 -6.424 -6.192 3.026 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.497 -9.436 2.118 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.695 -10.565 1.563 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.271 -10.340 2.002 1.00 0.00 C ATOM 0 HA PRO A 73 -5.516 -7.633 1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.883 -9.674 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.357 -9.213 1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.067 -11.521 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.765 -10.592 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.008 -10.979 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.567 -10.565 1.201 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.664 -7.688 4.528 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.077 -6.920 5.696 1.00 0.00 C ATOM 1026 C TYR A 74 -5.295 -5.617 5.835 1.00 0.00 C ATOM 1027 O TYR A 74 -5.887 -4.546 5.979 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.905 -7.765 6.954 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.633 -9.079 6.877 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.972 -9.168 7.216 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.981 -10.225 6.449 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -8.649 -10.370 7.135 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -6.649 -11.430 6.359 1.00 0.00 C ATOM 1034 CZ TYR A 74 -7.983 -11.498 6.703 1.00 0.00 C ATOM 1035 OH TYR A 74 -8.654 -12.695 6.609 1.00 0.00 O ATOM 0 H TYR A 74 -5.165 -8.549 4.751 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.127 -6.658 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.844 -7.952 7.119 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.267 -7.204 7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.496 -8.284 7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.936 -10.175 6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.692 -10.426 7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.130 -12.315 6.021 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.041 -13.389 6.288 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.967 -5.709 5.793 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.118 -4.529 5.937 1.00 0.00 C ATOM 1047 C LYS A 75 -3.360 -3.552 4.800 1.00 0.00 C ATOM 1048 O LYS A 75 -3.254 -2.349 4.989 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.637 -4.902 5.976 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.242 -5.857 4.873 1.00 0.00 C ATOM 1051 CD LYS A 75 0.251 -6.127 4.827 1.00 0.00 C ATOM 1052 CE LYS A 75 0.733 -6.874 6.052 1.00 0.00 C ATOM 1053 NZ LYS A 75 2.096 -7.427 5.839 1.00 0.00 N ATOM 0 H LYS A 75 -3.458 -6.583 5.661 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.382 -4.058 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.037 -3.995 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.407 -5.354 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.772 -6.800 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.561 -5.448 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.487 -6.706 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.787 -5.182 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.739 -6.204 6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.041 -7.683 6.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.550 -7.596 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.029 -8.323 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.664 -6.749 5.293 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.685 -4.076 3.623 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.985 -3.232 2.473 1.00 0.00 C ATOM 1069 C VAL A 76 -5.124 -2.274 2.802 1.00 0.00 C ATOM 1070 O VAL A 76 -5.020 -1.070 2.572 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.347 -4.070 1.230 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.690 -3.177 0.050 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.200 -4.994 0.870 1.00 0.00 C ATOM 0 H VAL A 76 -3.747 -5.078 3.441 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.086 -2.660 2.243 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.226 -4.669 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.941 -3.794 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.542 -2.547 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.833 -2.548 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.467 -5.580 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.310 -4.403 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.997 -5.664 1.705 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.197 -2.807 3.376 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.323 -1.982 3.768 1.00 0.00 C ATOM 1085 C GLN A 77 -6.980 -1.111 4.970 1.00 0.00 C ATOM 1086 O GLN A 77 -7.328 0.067 4.999 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.557 -2.833 4.072 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.595 -2.796 2.963 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.028 -1.378 2.622 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.386 -1.080 1.483 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.008 -0.491 3.611 1.00 0.00 N ATOM 0 H GLN A 77 -6.306 -3.801 3.577 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.552 -1.331 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.247 -3.865 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.012 -2.484 4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.188 -3.273 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.467 -3.377 3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.705 -0.773 4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.295 0.472 3.438 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.291 -1.684 5.953 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.895 -0.925 7.137 1.00 0.00 C ATOM 1102 C GLN A 78 -5.003 0.253 6.760 1.00 0.00 C ATOM 1103 O GLN A 78 -5.171 1.357 7.273 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.179 -1.821 8.150 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.107 -2.783 8.869 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.379 -3.641 9.883 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -5.240 -3.267 11.048 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -4.918 -4.802 9.450 1.00 0.00 N ATOM 0 H GLN A 78 -5.997 -2.661 5.955 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.804 -0.538 7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.405 -2.391 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.677 -1.194 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.892 -2.218 9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.596 -3.426 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.055 -5.074 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.426 -5.426 10.090 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.069 0.013 5.849 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.166 1.054 5.382 1.00 0.00 C ATOM 1119 C ALA A 79 -3.907 2.060 4.506 1.00 0.00 C ATOM 1120 O ALA A 79 -3.631 3.261 4.549 1.00 0.00 O ATOM 1121 CB ALA A 79 -1.996 0.436 4.627 1.00 0.00 C ATOM 0 H ALA A 79 -3.917 -0.899 5.418 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.775 1.588 6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.328 1.225 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.451 -0.238 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.371 -0.122 3.769 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.854 1.561 3.718 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.692 2.414 2.884 1.00 0.00 C ATOM 1129 C CYS A 80 -6.490 3.375 3.750 1.00 0.00 C ATOM 1130 O CYS A 80 -6.408 4.587 3.576 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.639 1.565 2.028 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.687 2.520 0.904 1.00 0.00 S ATOM 0 H CYS A 80 -5.061 0.565 3.640 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.046 2.990 2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.048 0.860 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.276 0.976 2.688 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.447 1.711 0.226 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.235 2.834 4.706 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.032 3.653 5.611 1.00 0.00 C ATOM 1140 C GLU A 81 -7.140 4.578 6.420 1.00 0.00 C ATOM 1141 O GLU A 81 -7.543 5.674 6.792 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.852 2.764 6.543 1.00 0.00 C ATOM 1143 CG GLU A 81 -9.823 1.872 5.800 1.00 0.00 C ATOM 1144 CD GLU A 81 -10.676 1.036 6.727 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -10.238 -0.065 7.116 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -11.800 1.471 7.059 1.00 0.00 O ATOM 0 H GLU A 81 -7.304 1.830 4.875 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.712 4.262 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.177 2.145 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.405 3.391 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.470 2.488 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.267 1.214 5.132 1.00 0.00 H new ATOM 1153 N MET A 82 -5.924 4.126 6.670 1.00 0.00 N ATOM 1154 CA MET A 82 -4.941 4.910 7.407 1.00 0.00 C ATOM 1155 C MET A 82 -4.559 6.169 6.634 1.00 0.00 C ATOM 1156 O MET A 82 -4.651 7.280 7.157 1.00 0.00 O ATOM 1157 CB MET A 82 -3.690 4.069 7.683 1.00 0.00 C ATOM 1158 CG MET A 82 -2.608 4.805 8.457 1.00 0.00 C ATOM 1159 SD MET A 82 -1.195 3.750 8.840 1.00 0.00 S ATOM 1160 CE MET A 82 -0.687 3.240 7.200 1.00 0.00 C ATOM 0 H MET A 82 -5.588 3.210 6.371 1.00 0.00 H new ATOM 0 HA MET A 82 -5.388 5.208 8.355 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.979 3.178 8.241 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.276 3.730 6.733 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.270 5.663 7.876 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.029 5.194 9.384 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.926 2.186 7.056 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.213 3.836 6.454 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.387 3.387 7.090 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.152 5.998 5.382 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.688 7.121 4.583 1.00 0.00 C ATOM 1172 C VAL A 83 -4.863 7.928 4.048 1.00 0.00 C ATOM 1173 O VAL A 83 -4.781 9.149 3.925 1.00 0.00 O ATOM 1174 CB VAL A 83 -2.780 6.671 3.418 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.557 5.945 3.957 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.532 5.788 2.428 1.00 0.00 C ATOM 0 H VAL A 83 -4.134 5.098 4.902 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.093 7.753 5.242 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.457 7.563 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.924 5.632 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.995 6.613 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.874 5.068 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.861 5.491 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.900 4.899 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.374 6.342 2.013 1.00 0.00 H new ATOM 1186 N MET A 84 -5.962 7.242 3.760 1.00 0.00 N ATOM 1187 CA MET A 84 -7.162 7.898 3.269 1.00 0.00 C ATOM 1188 C MET A 84 -7.748 8.791 4.349 1.00 0.00 C ATOM 1189 O MET A 84 -8.269 9.862 4.058 1.00 0.00 O ATOM 1190 CB MET A 84 -8.203 6.873 2.815 1.00 0.00 C ATOM 1191 CG MET A 84 -9.480 7.504 2.284 1.00 0.00 C ATOM 1192 SD MET A 84 -10.696 6.287 1.745 1.00 0.00 S ATOM 1193 CE MET A 84 -11.008 5.420 3.281 1.00 0.00 C ATOM 0 H MET A 84 -6.045 6.230 3.859 1.00 0.00 H new ATOM 0 HA MET A 84 -6.887 8.508 2.409 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.768 6.243 2.039 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.450 6.221 3.653 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.920 8.129 3.061 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.235 8.159 1.448 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.031 5.044 3.285 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.314 4.584 3.375 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.868 6.103 4.119 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.644 8.350 5.598 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.107 9.152 6.731 1.00 0.00 C ATOM 1205 C ASP A 85 -7.358 10.477 6.792 1.00 0.00 C ATOM 1206 O ASP A 85 -7.941 11.515 7.080 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.930 8.391 8.047 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.201 9.255 9.265 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.381 9.568 9.533 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.235 9.617 9.970 1.00 0.00 O ATOM 0 H ASP A 85 -7.246 7.446 5.854 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.168 9.354 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.602 7.533 8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.914 8.001 8.102 1.00 0.00 H new ATOM 1215 N ILE A 86 -6.067 10.431 6.487 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.234 11.630 6.478 1.00 0.00 C ATOM 1217 C ILE A 86 -5.672 12.573 5.357 1.00 0.00 C ATOM 1218 O ILE A 86 -5.514 13.792 5.448 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.744 11.262 6.286 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.328 10.199 7.308 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.861 12.497 6.414 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.896 9.730 7.154 1.00 0.00 C ATOM 0 H ILE A 86 -5.572 9.574 6.242 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.354 12.130 7.439 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.615 10.855 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.463 10.601 8.312 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.993 9.341 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.818 12.214 6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.143 13.226 5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.990 12.935 7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.676 8.979 7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.760 9.297 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.221 10.577 7.276 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.246 11.999 4.312 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.651 12.763 3.141 1.00 0.00 C ATOM 1236 C LEU A 87 -8.102 13.236 3.261 1.00 0.00 C ATOM 1237 O LEU A 87 -8.477 14.263 2.696 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.484 11.910 1.881 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.132 11.204 1.742 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.103 10.359 0.483 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -3.988 12.206 1.733 1.00 0.00 C ATOM 0 H LEU A 87 -6.443 11.000 4.250 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.012 13.644 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.272 11.157 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.634 12.546 1.009 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.003 10.552 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.135 9.864 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.892 9.608 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.261 10.997 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.041 11.676 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.111 12.891 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.991 12.770 2.665 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.908 12.480 3.998 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.323 12.803 4.187 1.00 0.00 C ATOM 1255 C ARG A 88 -10.514 13.769 5.343 1.00 0.00 C ATOM 1256 O ARG A 88 -11.584 14.355 5.518 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.135 11.527 4.443 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.406 10.703 3.196 1.00 0.00 C ATOM 1259 CD ARG A 88 -12.448 11.368 2.316 1.00 0.00 C ATOM 1260 NE ARG A 88 -12.776 10.561 1.140 1.00 0.00 N ATOM 1261 CZ ARG A 88 -14.021 10.294 0.746 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -15.055 10.715 1.460 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -14.234 9.582 -0.352 1.00 0.00 N ATOM 0 H ARG A 88 -8.606 11.633 4.479 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.679 13.279 3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.602 10.909 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.087 11.800 4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.481 10.573 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.748 9.708 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.353 11.544 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.081 12.343 1.995 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.006 10.180 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.901 11.247 2.317 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.005 10.507 1.153 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.444 9.237 -0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.188 9.379 -0.651 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.469 13.930 6.119 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.504 14.786 7.290 1.00 0.00 C ATOM 1279 C GLU A 89 -9.118 16.208 6.908 1.00 0.00 C ATOM 1280 O GLU A 89 -10.018 17.070 6.833 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.569 14.237 8.369 1.00 0.00 C ATOM 1282 CG GLU A 89 -8.684 14.947 9.705 1.00 0.00 C ATOM 1283 CD GLU A 89 -7.866 14.271 10.782 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -6.671 14.598 10.921 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -8.415 13.397 11.486 1.00 0.00 O ATOM 1286 OXT GLU A 89 -7.925 16.451 6.637 1.00 0.00 O ATOM 0 H GLU A 89 -8.570 13.474 5.961 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.517 14.803 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.780 13.177 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.540 14.312 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.354 15.980 9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.730 14.977 10.010 1.00 0.00 H new TER 1293 GLU A 89