USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 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 76 GLN : amide:sc= -3.7! C(o=-2.9!,f=-7.9!) USER MOD Set 1.2: A 77 THR OG1 : rot -30:sc= 0.847 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -5.85! C(o=-5.8!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= 0.00138 K(o=0.0014,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -0.695 (180deg=-2.38!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 80:sc= -0.502 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 51:sc= -1.5! USER MOD Single : A 43 THR OG1 : rot -64:sc= 0.0493! USER MOD Single : A 49 MET CE :methyl -155:sc= -0.0935 (180deg=-0.696) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -6.38! C(o=-6.4!,f=-8.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 136:sc= -0.281 (180deg=-1.42!) USER MOD Single : A 62 SER OG : rot 86:sc= 0.486 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.41) USER MOD Single : A 83 MET CE :methyl 133:sc= -2.91! (180deg=-5.53!) USER MOD Single : A 86 ASN : amide:sc= -1.85 K(o=-1.8,f=-6.4!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 22 4.319 0.675 -1.805 1.00 0.00 N ATOM 18 CA THR A 22 5.763 0.739 -1.656 1.00 0.00 C ATOM 19 C THR A 22 6.292 2.080 -2.169 1.00 0.00 C ATOM 20 O THR A 22 5.891 2.543 -3.235 1.00 0.00 O ATOM 21 CB THR A 22 6.366 -0.468 -2.377 1.00 0.00 C ATOM 22 OG1 THR A 22 7.470 -0.845 -1.558 1.00 0.00 O ATOM 23 CG2 THR A 22 7.006 -0.092 -3.715 1.00 0.00 C ATOM 0 HA THR A 22 6.056 0.689 -0.607 1.00 0.00 H new ATOM 0 HB THR A 22 5.591 -1.216 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.918 -1.623 -1.951 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.418 -0.985 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.252 0.346 -4.369 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.804 0.631 -3.546 1.00 0.00 H new ATOM 31 N HIS A 23 7.186 2.666 -1.385 1.00 0.00 N ATOM 32 CA HIS A 23 7.775 3.944 -1.747 1.00 0.00 C ATOM 33 C HIS A 23 8.878 3.726 -2.784 1.00 0.00 C ATOM 34 O HIS A 23 9.833 2.991 -2.535 1.00 0.00 O ATOM 35 CB HIS A 23 8.268 4.686 -0.503 1.00 0.00 C ATOM 36 CG HIS A 23 9.192 5.842 -0.804 1.00 0.00 C ATOM 37 ND1 HIS A 23 9.305 6.404 -2.063 1.00 0.00 N ATOM 38 CD2 HIS A 23 10.044 6.535 0.005 1.00 0.00 C ATOM 39 CE1 HIS A 23 10.188 7.389 -2.004 1.00 0.00 C ATOM 40 NE2 HIS A 23 10.646 7.469 -0.722 1.00 0.00 N ATOM 0 H HIS A 23 7.516 2.279 -0.501 1.00 0.00 H new ATOM 0 HA HIS A 23 7.018 4.582 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.406 5.058 0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 23 8.785 3.981 0.147 1.00 0.00 H new ATOM 0 HD1 HIS A 23 8.795 6.110 -2.896 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.202 6.355 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.492 8.019 -2.827 1.00 0.00 H new ATOM 48 N ILE A 24 8.711 4.378 -3.925 1.00 0.00 N ATOM 49 CA ILE A 24 9.681 4.264 -5.001 1.00 0.00 C ATOM 50 C ILE A 24 9.576 5.492 -5.908 1.00 0.00 C ATOM 51 O ILE A 24 8.771 6.387 -5.656 1.00 0.00 O ATOM 52 CB ILE A 24 9.507 2.937 -5.741 1.00 0.00 C ATOM 53 CG1 ILE A 24 8.158 2.883 -6.461 1.00 0.00 C ATOM 54 CG2 ILE A 24 9.699 1.751 -4.793 1.00 0.00 C ATOM 55 CD1 ILE A 24 8.188 1.869 -7.607 1.00 0.00 C ATOM 0 H ILE A 24 7.918 4.987 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 24 10.694 4.248 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 24 10.282 2.868 -6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.374 2.614 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.910 3.870 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.570 0.820 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.702 1.784 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.962 1.803 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.217 1.850 -8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.956 2.155 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.412 0.879 -7.211 1.00 0.00 H new ATOM 67 N ASN A 25 10.401 5.495 -6.944 1.00 0.00 N ATOM 68 CA ASN A 25 10.412 6.598 -7.890 1.00 0.00 C ATOM 69 C ASN A 25 9.778 6.143 -9.205 1.00 0.00 C ATOM 70 O ASN A 25 9.820 4.960 -9.542 1.00 0.00 O ATOM 71 CB ASN A 25 11.841 7.056 -8.187 1.00 0.00 C ATOM 72 CG ASN A 25 12.567 6.044 -9.076 1.00 0.00 C ATOM 73 OD1 ASN A 25 12.824 4.914 -8.693 1.00 0.00 O ATOM 74 ND2 ASN A 25 12.881 6.510 -10.281 1.00 0.00 N ATOM 0 H ASN A 25 11.067 4.751 -7.150 1.00 0.00 H new ATOM 0 HA ASN A 25 9.853 7.424 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.820 8.029 -8.679 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.388 7.183 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.366 5.911 -10.949 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.636 7.466 -10.538 1.00 0.00 H new ATOM 81 N LEU A 26 9.206 7.105 -9.914 1.00 0.00 N ATOM 82 CA LEU A 26 8.564 6.817 -11.186 1.00 0.00 C ATOM 83 C LEU A 26 9.164 7.714 -12.270 1.00 0.00 C ATOM 84 O LEU A 26 9.467 8.880 -12.018 1.00 0.00 O ATOM 85 CB LEU A 26 7.044 6.939 -11.059 1.00 0.00 C ATOM 86 CG LEU A 26 6.309 7.471 -12.290 1.00 0.00 C ATOM 87 CD1 LEU A 26 5.025 6.679 -12.546 1.00 0.00 C ATOM 88 CD2 LEU A 26 6.041 8.972 -12.164 1.00 0.00 C ATOM 0 H LEU A 26 9.174 8.085 -9.632 1.00 0.00 H new ATOM 0 HA LEU A 26 8.754 5.786 -11.484 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.640 5.957 -10.815 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.821 7.593 -10.216 1.00 0.00 H new ATOM 0 HG LEU A 26 6.953 7.332 -13.159 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.521 7.077 -13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.271 5.630 -12.712 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.366 6.764 -11.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.517 9.324 -13.053 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.427 9.159 -11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.988 9.504 -12.066 1.00 0.00 H new ATOM 100 N LYS A 27 9.319 7.137 -13.452 1.00 0.00 N ATOM 101 CA LYS A 27 9.878 7.870 -14.575 1.00 0.00 C ATOM 102 C LYS A 27 8.953 7.724 -15.785 1.00 0.00 C ATOM 103 O LYS A 27 8.796 6.628 -16.322 1.00 0.00 O ATOM 104 CB LYS A 27 11.317 7.424 -14.843 1.00 0.00 C ATOM 105 CG LYS A 27 11.789 7.893 -16.221 1.00 0.00 C ATOM 106 CD LYS A 27 11.407 9.354 -16.464 1.00 0.00 C ATOM 107 CE LYS A 27 12.474 10.070 -17.294 1.00 0.00 C ATOM 108 NZ LYS A 27 13.823 9.801 -16.746 1.00 0.00 N ATOM 0 H LYS A 27 9.067 6.170 -13.657 1.00 0.00 H new ATOM 0 HA LYS A 27 9.936 8.934 -14.345 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.975 7.826 -14.073 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.382 6.338 -14.783 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.870 7.779 -16.297 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.347 7.264 -16.994 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.448 9.402 -16.980 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.281 9.864 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.422 9.736 -18.330 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.283 11.143 -17.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.382 10.678 -16.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.738 9.452 -15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.298 9.083 -17.330 1.00 0.00 H new ATOM 121 N VAL A 28 8.366 8.844 -16.180 1.00 0.00 N ATOM 122 CA VAL A 28 7.461 8.854 -17.316 1.00 0.00 C ATOM 123 C VAL A 28 8.231 9.265 -18.573 1.00 0.00 C ATOM 124 O VAL A 28 8.802 10.353 -18.627 1.00 0.00 O ATOM 125 CB VAL A 28 6.265 9.762 -17.025 1.00 0.00 C ATOM 126 CG1 VAL A 28 5.807 9.617 -15.572 1.00 0.00 C ATOM 127 CG2 VAL A 28 6.590 11.220 -17.354 1.00 0.00 C ATOM 0 H VAL A 28 8.500 9.751 -15.733 1.00 0.00 H new ATOM 0 HA VAL A 28 7.059 7.856 -17.492 1.00 0.00 H new ATOM 0 HB VAL A 28 5.443 9.449 -17.669 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.956 10.273 -15.392 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.515 8.584 -15.384 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.624 9.891 -14.904 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.723 11.844 -17.138 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.434 11.550 -16.749 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.845 11.307 -18.410 1.00 0.00 H new ATOM 137 N SER A 29 8.223 8.372 -19.552 1.00 0.00 N ATOM 138 CA SER A 29 8.914 8.628 -20.804 1.00 0.00 C ATOM 139 C SER A 29 7.898 8.838 -21.929 1.00 0.00 C ATOM 140 O SER A 29 6.869 8.166 -21.974 1.00 0.00 O ATOM 141 CB SER A 29 9.863 7.481 -21.154 1.00 0.00 C ATOM 142 OG SER A 29 10.645 7.075 -20.034 1.00 0.00 O ATOM 0 H SER A 29 7.749 7.470 -19.503 1.00 0.00 H new ATOM 0 HA SER A 29 9.510 9.533 -20.687 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.286 6.632 -21.520 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.523 7.791 -21.964 1.00 0.00 H new ATOM 0 HG SER A 29 11.237 6.340 -20.298 1.00 0.00 H new ATOM 148 N ASP A 30 8.223 9.773 -22.809 1.00 0.00 N ATOM 149 CA ASP A 30 7.352 10.080 -23.931 1.00 0.00 C ATOM 150 C ASP A 30 8.172 10.734 -25.045 1.00 0.00 C ATOM 151 O ASP A 30 9.258 11.255 -24.796 1.00 0.00 O ATOM 152 CB ASP A 30 6.249 11.058 -23.520 1.00 0.00 C ATOM 153 CG ASP A 30 5.532 10.712 -22.214 1.00 0.00 C ATOM 154 OD1 ASP A 30 4.313 10.485 -22.195 1.00 0.00 O ATOM 155 OD2 ASP A 30 6.288 10.681 -21.169 1.00 0.00 O ATOM 0 H ASP A 30 9.078 10.328 -22.768 1.00 0.00 H new ATOM 0 HA ASP A 30 6.900 9.148 -24.272 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.683 12.053 -23.426 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.511 11.107 -24.320 1.00 0.00 H new ATOM 161 N GLY A 31 7.622 10.684 -26.249 1.00 0.00 N ATOM 162 CA GLY A 31 8.289 11.265 -27.401 1.00 0.00 C ATOM 163 C GLY A 31 9.241 12.385 -26.977 1.00 0.00 C ATOM 164 O GLY A 31 10.458 12.247 -27.092 1.00 0.00 O ATOM 0 H GLY A 31 6.722 10.250 -26.452 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.845 10.492 -27.932 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.547 11.658 -28.096 1.00 0.00 H new ATOM 168 N SER A 32 8.651 13.469 -26.495 1.00 0.00 N ATOM 169 CA SER A 32 9.431 14.612 -26.053 1.00 0.00 C ATOM 170 C SER A 32 9.132 14.913 -24.583 1.00 0.00 C ATOM 171 O SER A 32 9.738 15.806 -23.992 1.00 0.00 O ATOM 172 CB SER A 32 9.143 15.842 -26.915 1.00 0.00 C ATOM 173 OG SER A 32 10.283 16.689 -27.036 1.00 0.00 O ATOM 0 H SER A 32 7.641 13.580 -26.401 1.00 0.00 H new ATOM 0 HA SER A 32 10.488 14.366 -26.160 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.822 15.523 -27.906 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.318 16.405 -26.479 1.00 0.00 H new ATOM 0 HG SER A 32 10.058 17.462 -27.595 1.00 0.00 H new ATOM 179 N SER A 33 8.198 14.150 -24.034 1.00 0.00 N ATOM 180 CA SER A 33 7.812 14.323 -22.644 1.00 0.00 C ATOM 181 C SER A 33 8.494 13.265 -21.775 1.00 0.00 C ATOM 182 O SER A 33 8.077 12.108 -21.756 1.00 0.00 O ATOM 183 CB SER A 33 6.293 14.245 -22.481 1.00 0.00 C ATOM 184 OG SER A 33 5.763 15.405 -21.845 1.00 0.00 O ATOM 0 H SER A 33 7.697 13.411 -24.527 1.00 0.00 H new ATOM 0 HA SER A 33 8.135 15.312 -22.320 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.829 14.125 -23.460 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.036 13.362 -21.896 1.00 0.00 H new ATOM 0 HG SER A 33 5.683 16.130 -22.500 1.00 0.00 H new ATOM 190 N GLU A 34 9.533 13.700 -21.076 1.00 0.00 N ATOM 191 CA GLU A 34 10.278 12.804 -20.207 1.00 0.00 C ATOM 192 C GLU A 34 10.625 13.507 -18.893 1.00 0.00 C ATOM 193 O GLU A 34 11.384 14.475 -18.884 1.00 0.00 O ATOM 194 CB GLU A 34 11.539 12.288 -20.903 1.00 0.00 C ATOM 195 CG GLU A 34 12.524 13.428 -21.168 1.00 0.00 C ATOM 196 CD GLU A 34 13.509 13.054 -22.277 1.00 0.00 C ATOM 197 OE1 GLU A 34 13.509 13.685 -23.345 1.00 0.00 O ATOM 198 OE2 GLU A 34 14.295 12.070 -22.000 1.00 0.00 O ATOM 0 H GLU A 34 9.876 14.660 -21.094 1.00 0.00 H new ATOM 0 HA GLU A 34 9.650 11.942 -19.981 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.015 11.528 -20.284 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.269 11.809 -21.844 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.977 14.328 -21.450 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.071 13.661 -20.254 1.00 0.00 H new ATOM 206 N ILE A 35 10.053 12.992 -17.814 1.00 0.00 N ATOM 207 CA ILE A 35 10.293 13.558 -16.498 1.00 0.00 C ATOM 208 C ILE A 35 10.313 12.434 -15.460 1.00 0.00 C ATOM 209 O ILE A 35 9.658 11.408 -15.638 1.00 0.00 O ATOM 210 CB ILE A 35 9.273 14.658 -16.194 1.00 0.00 C ATOM 211 CG1 ILE A 35 9.964 16.011 -16.013 1.00 0.00 C ATOM 212 CG2 ILE A 35 8.412 14.288 -14.985 1.00 0.00 C ATOM 213 CD1 ILE A 35 10.565 16.137 -14.612 1.00 0.00 C ATOM 0 H ILE A 35 9.424 12.189 -17.825 1.00 0.00 H new ATOM 0 HA ILE A 35 11.269 14.042 -16.463 1.00 0.00 H new ATOM 0 HB ILE A 35 8.604 14.750 -17.050 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.749 16.125 -16.761 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.247 16.815 -16.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.696 15.086 -14.790 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.876 13.361 -15.190 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.050 14.152 -14.112 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.050 17.108 -14.510 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.774 16.046 -13.867 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.300 15.347 -14.459 1.00 0.00 H new ATOM 225 N PHE A 36 11.071 12.666 -14.399 1.00 0.00 N ATOM 226 CA PHE A 36 11.185 11.685 -13.332 1.00 0.00 C ATOM 227 C PHE A 36 10.958 12.334 -11.965 1.00 0.00 C ATOM 228 O PHE A 36 11.313 13.493 -11.757 1.00 0.00 O ATOM 229 CB PHE A 36 12.608 11.127 -13.388 1.00 0.00 C ATOM 230 CG PHE A 36 13.693 12.199 -13.515 1.00 0.00 C ATOM 231 CD1 PHE A 36 14.050 12.663 -14.742 1.00 0.00 C ATOM 232 CD2 PHE A 36 14.300 12.687 -12.400 1.00 0.00 C ATOM 233 CE1 PHE A 36 15.057 13.658 -14.860 1.00 0.00 C ATOM 234 CE2 PHE A 36 15.307 13.681 -12.517 1.00 0.00 C ATOM 235 CZ PHE A 36 15.664 14.146 -13.745 1.00 0.00 C ATOM 0 H PHE A 36 11.612 13.518 -14.255 1.00 0.00 H new ATOM 0 HA PHE A 36 10.436 10.904 -13.463 1.00 0.00 H new ATOM 0 HB2 PHE A 36 12.793 10.542 -12.487 1.00 0.00 H new ATOM 0 HB3 PHE A 36 12.686 10.444 -14.234 1.00 0.00 H new ATOM 0 HD1 PHE A 36 13.568 12.275 -15.627 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.016 12.318 -11.425 1.00 0.00 H new ATOM 0 HE1 PHE A 36 15.340 14.027 -15.835 1.00 0.00 H new ATOM 0 HE2 PHE A 36 15.790 14.068 -11.632 1.00 0.00 H new ATOM 0 HZ PHE A 36 16.429 14.903 -13.834 1.00 0.00 H new ATOM 245 N PHE A 37 10.367 11.557 -11.068 1.00 0.00 N ATOM 246 CA PHE A 37 10.088 12.041 -9.727 1.00 0.00 C ATOM 247 C PHE A 37 9.970 10.879 -8.739 1.00 0.00 C ATOM 248 O PHE A 37 9.763 9.735 -9.141 1.00 0.00 O ATOM 249 CB PHE A 37 8.751 12.782 -9.788 1.00 0.00 C ATOM 250 CG PHE A 37 8.872 14.253 -10.192 1.00 0.00 C ATOM 251 CD1 PHE A 37 9.654 15.095 -9.465 1.00 0.00 C ATOM 252 CD2 PHE A 37 8.198 14.717 -11.278 1.00 0.00 C ATOM 253 CE1 PHE A 37 9.767 16.460 -9.840 1.00 0.00 C ATOM 254 CE2 PHE A 37 8.311 16.082 -11.653 1.00 0.00 C ATOM 255 CZ PHE A 37 9.093 16.925 -10.926 1.00 0.00 C ATOM 0 H PHE A 37 10.074 10.596 -11.244 1.00 0.00 H new ATOM 0 HA PHE A 37 10.897 12.689 -9.389 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.098 12.274 -10.497 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.270 12.722 -8.812 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.189 14.726 -8.603 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.577 14.048 -11.855 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.388 17.129 -9.263 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.776 16.451 -12.516 1.00 0.00 H new ATOM 0 HZ PHE A 37 9.179 17.963 -11.211 1.00 0.00 H new ATOM 265 N LYS A 38 10.106 11.213 -7.464 1.00 0.00 N ATOM 266 CA LYS A 38 10.016 10.211 -6.415 1.00 0.00 C ATOM 267 C LYS A 38 8.682 10.365 -5.681 1.00 0.00 C ATOM 268 O LYS A 38 8.262 11.480 -5.377 1.00 0.00 O ATOM 269 CB LYS A 38 11.236 10.289 -5.495 1.00 0.00 C ATOM 270 CG LYS A 38 12.444 9.591 -6.125 1.00 0.00 C ATOM 271 CD LYS A 38 12.957 8.465 -5.226 1.00 0.00 C ATOM 272 CE LYS A 38 14.306 7.940 -5.721 1.00 0.00 C ATOM 273 NZ LYS A 38 15.327 8.048 -4.655 1.00 0.00 N ATOM 0 H LYS A 38 10.278 12.163 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 38 10.031 9.209 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.478 11.333 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.003 9.826 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 38 12.168 9.186 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.240 10.316 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.057 8.828 -4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.231 7.652 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.206 6.900 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.624 8.506 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.237 7.687 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.434 9.044 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.029 7.488 -3.831 1.00 0.00 H new ATOM 286 N ILE A 39 8.054 9.228 -5.419 1.00 0.00 N ATOM 287 CA ILE A 39 6.776 9.223 -4.727 1.00 0.00 C ATOM 288 C ILE A 39 6.758 8.082 -3.707 1.00 0.00 C ATOM 289 O ILE A 39 7.639 7.224 -3.715 1.00 0.00 O ATOM 290 CB ILE A 39 5.623 9.167 -5.731 1.00 0.00 C ATOM 291 CG1 ILE A 39 5.490 7.768 -6.336 1.00 0.00 C ATOM 292 CG2 ILE A 39 5.780 10.244 -6.807 1.00 0.00 C ATOM 293 CD1 ILE A 39 6.590 7.510 -7.368 1.00 0.00 C ATOM 0 H ILE A 39 8.406 8.305 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 39 6.640 10.151 -4.172 1.00 0.00 H new ATOM 0 HB ILE A 39 4.696 9.377 -5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.545 7.019 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.513 7.663 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.947 10.182 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.788 11.228 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.717 10.090 -7.342 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.472 6.509 -7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.517 8.245 -8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.565 7.592 -6.888 1.00 0.00 H new ATOM 305 N LYS A 40 5.746 8.111 -2.853 1.00 0.00 N ATOM 306 CA LYS A 40 5.602 7.090 -1.829 1.00 0.00 C ATOM 307 C LYS A 40 4.575 6.053 -2.288 1.00 0.00 C ATOM 308 O LYS A 40 3.567 5.833 -1.618 1.00 0.00 O ATOM 309 CB LYS A 40 5.269 7.729 -0.479 1.00 0.00 C ATOM 310 CG LYS A 40 5.604 6.780 0.674 1.00 0.00 C ATOM 311 CD LYS A 40 6.991 7.080 1.246 1.00 0.00 C ATOM 312 CE LYS A 40 6.936 8.249 2.232 1.00 0.00 C ATOM 313 NZ LYS A 40 8.299 8.751 2.516 1.00 0.00 N ATOM 0 H LYS A 40 5.018 8.825 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 40 6.544 6.562 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.828 8.658 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.211 7.988 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.854 6.877 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.567 5.749 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.381 6.194 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.680 7.316 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.325 9.052 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.459 7.929 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.244 9.544 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.871 7.987 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.741 9.075 1.632 1.00 0.00 H new ATOM 326 N LYS A 41 4.866 5.444 -3.428 1.00 0.00 N ATOM 327 CA LYS A 41 3.981 4.436 -3.986 1.00 0.00 C ATOM 328 C LYS A 41 4.551 3.941 -5.316 1.00 0.00 C ATOM 329 O LYS A 41 5.110 4.722 -6.085 1.00 0.00 O ATOM 330 CB LYS A 41 2.553 4.976 -4.092 1.00 0.00 C ATOM 331 CG LYS A 41 1.598 4.181 -3.199 1.00 0.00 C ATOM 332 CD LYS A 41 0.258 4.904 -3.050 1.00 0.00 C ATOM 333 CE LYS A 41 0.299 5.904 -1.893 1.00 0.00 C ATOM 334 NZ LYS A 41 -1.071 6.217 -1.430 1.00 0.00 N ATOM 0 H LYS A 41 5.703 5.629 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 41 3.923 3.573 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.536 6.027 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.217 4.924 -5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.436 3.191 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.048 4.036 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.017 5.425 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.535 4.176 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.882 5.492 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.799 6.818 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.025 6.897 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.617 6.629 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.536 5.345 -1.106 1.00 0.00 H new ATOM 347 N THR A 42 4.392 2.646 -5.547 1.00 0.00 N ATOM 348 CA THR A 42 4.884 2.038 -6.771 1.00 0.00 C ATOM 349 C THR A 42 3.794 2.042 -7.845 1.00 0.00 C ATOM 350 O THR A 42 4.053 2.388 -8.996 1.00 0.00 O ATOM 351 CB THR A 42 5.396 0.637 -6.430 1.00 0.00 C ATOM 352 OG1 THR A 42 5.269 -0.086 -7.652 1.00 0.00 O ATOM 353 CG2 THR A 42 4.473 -0.104 -5.461 1.00 0.00 C ATOM 0 H THR A 42 3.929 2.001 -4.907 1.00 0.00 H new ATOM 0 HA THR A 42 5.712 2.609 -7.191 1.00 0.00 H new ATOM 0 HB THR A 42 6.393 0.711 -5.996 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.685 0.424 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.883 -1.092 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.394 0.460 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.484 -0.208 -5.908 1.00 0.00 H new ATOM 361 N THR A 43 2.598 1.653 -7.429 1.00 0.00 N ATOM 362 CA THR A 43 1.467 1.608 -8.341 1.00 0.00 C ATOM 363 C THR A 43 1.649 2.626 -9.467 1.00 0.00 C ATOM 364 O THR A 43 1.201 3.766 -9.357 1.00 0.00 O ATOM 365 CB THR A 43 0.192 1.826 -7.524 1.00 0.00 C ATOM 366 OG1 THR A 43 -0.723 2.399 -8.455 1.00 0.00 O ATOM 367 CG2 THR A 43 0.360 2.907 -6.454 1.00 0.00 C ATOM 0 H THR A 43 2.387 1.366 -6.473 1.00 0.00 H new ATOM 0 HA THR A 43 1.393 0.638 -8.832 1.00 0.00 H new ATOM 0 HB THR A 43 -0.100 0.889 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.390 3.274 -8.745 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.574 3.022 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.154 2.617 -5.766 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.619 3.853 -6.930 1.00 0.00 H new ATOM 375 N PRO A 44 2.326 2.167 -10.554 1.00 0.00 N ATOM 376 CA PRO A 44 2.573 3.025 -11.700 1.00 0.00 C ATOM 377 C PRO A 44 1.300 3.213 -12.529 1.00 0.00 C ATOM 378 O PRO A 44 0.953 4.335 -12.893 1.00 0.00 O ATOM 379 CB PRO A 44 3.688 2.340 -12.472 1.00 0.00 C ATOM 380 CG PRO A 44 3.705 0.899 -11.988 1.00 0.00 C ATOM 381 CD PRO A 44 2.871 0.823 -10.720 1.00 0.00 C ATOM 0 HA PRO A 44 2.867 4.035 -11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.507 2.389 -13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.646 2.825 -12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.300 0.235 -12.752 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.727 0.574 -11.793 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.077 0.082 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.479 0.534 -9.863 1.00 0.00 H new ATOM 389 N LEU A 45 0.640 2.097 -12.802 1.00 0.00 N ATOM 390 CA LEU A 45 -0.586 2.125 -13.581 1.00 0.00 C ATOM 391 C LEU A 45 -1.392 3.371 -13.210 1.00 0.00 C ATOM 392 O LEU A 45 -1.922 4.055 -14.085 1.00 0.00 O ATOM 393 CB LEU A 45 -1.361 0.817 -13.406 1.00 0.00 C ATOM 394 CG LEU A 45 -1.838 0.504 -11.987 1.00 0.00 C ATOM 395 CD1 LEU A 45 -2.733 -0.736 -11.970 1.00 0.00 C ATOM 396 CD2 LEU A 45 -0.654 0.369 -11.027 1.00 0.00 C ATOM 0 H LEU A 45 0.931 1.168 -12.498 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.360 2.196 -14.645 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.231 0.843 -14.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.730 -0.004 -13.745 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.442 1.342 -11.638 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.058 -0.936 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.605 -0.564 -12.601 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.175 -1.593 -12.348 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.021 0.146 -10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.004 -0.439 -11.363 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.092 1.303 -11.008 1.00 0.00 H new ATOM 408 N ARG A 46 -1.461 3.629 -11.913 1.00 0.00 N ATOM 409 CA ARG A 46 -2.193 4.781 -11.416 1.00 0.00 C ATOM 410 C ARG A 46 -1.265 5.993 -11.305 1.00 0.00 C ATOM 411 O ARG A 46 -1.714 7.134 -11.405 1.00 0.00 O ATOM 412 CB ARG A 46 -2.811 4.493 -10.046 1.00 0.00 C ATOM 413 CG ARG A 46 -3.875 3.398 -10.144 1.00 0.00 C ATOM 414 CD ARG A 46 -5.274 4.003 -10.273 1.00 0.00 C ATOM 415 NE ARG A 46 -6.282 2.926 -10.387 1.00 0.00 N ATOM 416 CZ ARG A 46 -7.600 3.141 -10.586 1.00 0.00 C ATOM 417 NH1 ARG A 46 -8.081 4.398 -10.696 1.00 0.00 N ATOM 418 NH2 ARG A 46 -8.412 2.103 -10.672 1.00 0.00 N ATOM 0 H ARG A 46 -1.021 3.059 -11.190 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.993 4.995 -12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.031 4.186 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.257 5.403 -9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.669 2.762 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.830 2.762 -9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.491 4.626 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.320 4.650 -11.149 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.961 1.961 -10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.447 5.194 -10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.078 4.551 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.041 1.157 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.410 2.248 -10.822 1.00 0.00 H new ATOM 431 N ARG A 47 0.011 5.704 -11.099 1.00 0.00 N ATOM 432 CA ARG A 47 1.006 6.755 -10.973 1.00 0.00 C ATOM 433 C ARG A 47 1.144 7.516 -12.294 1.00 0.00 C ATOM 434 O ARG A 47 0.748 8.676 -12.390 1.00 0.00 O ATOM 435 CB ARG A 47 2.368 6.180 -10.579 1.00 0.00 C ATOM 436 CG ARG A 47 3.063 7.075 -9.551 1.00 0.00 C ATOM 437 CD ARG A 47 2.551 6.787 -8.138 1.00 0.00 C ATOM 438 NE ARG A 47 2.140 8.049 -7.482 1.00 0.00 N ATOM 439 CZ ARG A 47 0.863 8.482 -7.407 1.00 0.00 C ATOM 440 NH1 ARG A 47 -0.139 7.757 -7.948 1.00 0.00 N ATOM 441 NH2 ARG A 47 0.610 9.625 -6.797 1.00 0.00 N ATOM 0 H ARG A 47 0.379 4.756 -11.016 1.00 0.00 H new ATOM 0 HA ARG A 47 0.672 7.436 -10.190 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.239 5.179 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.996 6.082 -11.465 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.140 6.913 -9.591 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.889 8.122 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.707 6.098 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.330 6.300 -7.552 1.00 0.00 H new ATOM 0 HE ARG A 47 2.867 8.627 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.066 6.875 -8.418 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.101 8.091 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.373 10.166 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.349 9.967 -6.731 1.00 0.00 H new ATOM 454 N LEU A 48 1.708 6.831 -13.278 1.00 0.00 N ATOM 455 CA LEU A 48 1.903 7.428 -14.589 1.00 0.00 C ATOM 456 C LEU A 48 0.584 8.036 -15.069 1.00 0.00 C ATOM 457 O LEU A 48 0.575 9.100 -15.686 1.00 0.00 O ATOM 458 CB LEU A 48 2.498 6.406 -15.559 1.00 0.00 C ATOM 459 CG LEU A 48 3.634 6.911 -16.452 1.00 0.00 C ATOM 460 CD1 LEU A 48 4.929 6.144 -16.179 1.00 0.00 C ATOM 461 CD2 LEU A 48 3.236 6.856 -17.928 1.00 0.00 C ATOM 0 H LEU A 48 2.036 5.869 -13.194 1.00 0.00 H new ATOM 0 HA LEU A 48 2.627 8.241 -14.534 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.866 5.558 -14.982 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.698 6.033 -16.199 1.00 0.00 H new ATOM 0 HG LEU A 48 3.822 7.956 -16.207 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.720 6.523 -16.827 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.218 6.278 -15.137 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.773 5.084 -16.379 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.060 7.220 -18.541 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.005 5.827 -18.204 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.358 7.481 -18.092 1.00 0.00 H new ATOM 473 N MET A 49 -0.499 7.335 -14.768 1.00 0.00 N ATOM 474 CA MET A 49 -1.821 7.792 -15.161 1.00 0.00 C ATOM 475 C MET A 49 -1.968 9.299 -14.939 1.00 0.00 C ATOM 476 O MET A 49 -2.490 10.009 -15.797 1.00 0.00 O ATOM 477 CB MET A 49 -2.882 7.050 -14.346 1.00 0.00 C ATOM 478 CG MET A 49 -4.066 6.647 -15.227 1.00 0.00 C ATOM 479 SD MET A 49 -4.960 8.100 -15.751 1.00 0.00 S ATOM 480 CE MET A 49 -5.729 8.564 -14.208 1.00 0.00 C ATOM 0 H MET A 49 -0.488 6.453 -14.256 1.00 0.00 H new ATOM 0 HA MET A 49 -1.956 7.585 -16.223 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.442 6.162 -13.893 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.230 7.685 -13.531 1.00 0.00 H new ATOM 0 HG2 MET A 49 -3.711 6.095 -16.097 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.730 5.981 -14.676 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.633 9.139 -14.410 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.988 7.667 -13.646 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.036 9.170 -13.624 1.00 0.00 H new ATOM 490 N GLU A 50 -1.497 9.743 -13.783 1.00 0.00 N ATOM 491 CA GLU A 50 -1.569 11.153 -13.437 1.00 0.00 C ATOM 492 C GLU A 50 -0.216 11.827 -13.670 1.00 0.00 C ATOM 493 O GLU A 50 -0.158 12.978 -14.099 1.00 0.00 O ATOM 494 CB GLU A 50 -2.033 11.339 -11.991 1.00 0.00 C ATOM 495 CG GLU A 50 -3.015 12.507 -11.876 1.00 0.00 C ATOM 496 CD GLU A 50 -3.501 12.675 -10.435 1.00 0.00 C ATOM 497 OE1 GLU A 50 -2.689 12.928 -9.532 1.00 0.00 O ATOM 498 OE2 GLU A 50 -4.772 12.534 -10.269 1.00 0.00 O ATOM 0 H GLU A 50 -1.064 9.151 -13.074 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.305 11.629 -14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.508 10.424 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.171 11.520 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.533 13.426 -12.211 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.867 12.336 -12.533 1.00 0.00 H new ATOM 506 N ALA A 51 0.839 11.080 -13.378 1.00 0.00 N ATOM 507 CA ALA A 51 2.188 11.592 -13.551 1.00 0.00 C ATOM 508 C ALA A 51 2.403 11.967 -15.018 1.00 0.00 C ATOM 509 O ALA A 51 2.618 13.135 -15.339 1.00 0.00 O ATOM 510 CB ALA A 51 3.196 10.549 -13.062 1.00 0.00 C ATOM 0 H ALA A 51 0.787 10.125 -13.023 1.00 0.00 H new ATOM 0 HA ALA A 51 2.336 12.493 -12.956 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.208 10.932 -13.192 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.020 10.339 -12.007 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.079 9.632 -13.639 1.00 0.00 H new ATOM 516 N PHE A 52 2.337 10.954 -15.870 1.00 0.00 N ATOM 517 CA PHE A 52 2.521 11.163 -17.297 1.00 0.00 C ATOM 518 C PHE A 52 1.538 12.208 -17.829 1.00 0.00 C ATOM 519 O PHE A 52 1.731 12.748 -18.917 1.00 0.00 O ATOM 520 CB PHE A 52 2.247 9.824 -17.984 1.00 0.00 C ATOM 521 CG PHE A 52 1.080 9.860 -18.972 1.00 0.00 C ATOM 522 CD1 PHE A 52 1.220 10.494 -20.167 1.00 0.00 C ATOM 523 CD2 PHE A 52 -0.098 9.257 -18.656 1.00 0.00 C ATOM 524 CE1 PHE A 52 0.136 10.527 -21.085 1.00 0.00 C ATOM 525 CE2 PHE A 52 -1.181 9.291 -19.573 1.00 0.00 C ATOM 526 CZ PHE A 52 -1.041 9.925 -20.768 1.00 0.00 C ATOM 0 H PHE A 52 2.159 9.987 -15.600 1.00 0.00 H new ATOM 0 HA PHE A 52 3.531 11.521 -17.494 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.147 9.507 -18.511 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.042 9.072 -17.222 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.155 10.972 -20.418 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.209 8.753 -17.708 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.247 11.030 -22.034 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.116 8.813 -19.322 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.865 9.950 -21.465 1.00 0.00 H new ATOM 536 N ALA A 53 0.506 12.460 -17.038 1.00 0.00 N ATOM 537 CA ALA A 53 -0.508 13.430 -17.416 1.00 0.00 C ATOM 538 C ALA A 53 -0.242 14.749 -16.688 1.00 0.00 C ATOM 539 O ALA A 53 -0.982 15.716 -16.859 1.00 0.00 O ATOM 540 CB ALA A 53 -1.896 12.863 -17.110 1.00 0.00 C ATOM 0 H ALA A 53 0.350 12.009 -16.136 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.467 13.631 -18.487 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.657 13.590 -17.393 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.046 11.943 -17.675 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.976 12.651 -16.044 1.00 0.00 H new ATOM 546 N LYS A 54 0.816 14.745 -15.891 1.00 0.00 N ATOM 547 CA LYS A 54 1.188 15.929 -15.136 1.00 0.00 C ATOM 548 C LYS A 54 2.262 16.703 -15.904 1.00 0.00 C ATOM 549 O LYS A 54 2.406 17.912 -15.729 1.00 0.00 O ATOM 550 CB LYS A 54 1.604 15.549 -13.713 1.00 0.00 C ATOM 551 CG LYS A 54 3.125 15.430 -13.600 1.00 0.00 C ATOM 552 CD LYS A 54 3.772 16.806 -13.430 1.00 0.00 C ATOM 553 CE LYS A 54 4.576 16.877 -12.130 1.00 0.00 C ATOM 554 NZ LYS A 54 5.118 18.239 -11.930 1.00 0.00 N ATOM 0 H LYS A 54 1.427 13.941 -15.752 1.00 0.00 H new ATOM 0 HA LYS A 54 0.332 16.594 -15.026 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.241 16.300 -13.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.140 14.603 -13.435 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.382 14.796 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.523 14.945 -14.492 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.426 17.012 -14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.001 17.577 -13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.941 16.605 -11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.392 16.155 -12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.661 18.270 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.740 18.485 -12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.334 18.921 -11.880 1.00 0.00 H new ATOM 567 N ARG A 55 2.987 15.973 -16.739 1.00 0.00 N ATOM 568 CA ARG A 55 4.043 16.575 -17.535 1.00 0.00 C ATOM 569 C ARG A 55 3.563 16.802 -18.970 1.00 0.00 C ATOM 570 O ARG A 55 3.618 17.921 -19.478 1.00 0.00 O ATOM 571 CB ARG A 55 5.290 15.689 -17.556 1.00 0.00 C ATOM 572 CG ARG A 55 6.564 16.536 -17.608 1.00 0.00 C ATOM 573 CD ARG A 55 7.220 16.456 -18.988 1.00 0.00 C ATOM 574 NE ARG A 55 8.534 17.137 -18.964 1.00 0.00 N ATOM 575 CZ ARG A 55 8.697 18.471 -19.087 1.00 0.00 C ATOM 576 NH1 ARG A 55 7.628 19.281 -19.245 1.00 0.00 N ATOM 577 NH2 ARG A 55 9.917 18.973 -19.052 1.00 0.00 N ATOM 0 H ARG A 55 2.864 14.971 -16.881 1.00 0.00 H new ATOM 0 HA ARG A 55 4.298 17.531 -17.078 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.306 15.056 -16.669 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.255 15.026 -18.420 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.325 17.574 -17.375 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.265 16.192 -16.848 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.347 15.413 -19.280 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.574 16.919 -19.734 1.00 0.00 H new ATOM 0 HE ARG A 55 9.368 16.562 -18.847 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.688 18.886 -19.272 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.760 20.288 -19.337 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.720 18.355 -18.933 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.057 19.979 -19.144 1.00 0.00 H new ATOM 590 N GLN A 56 3.103 15.721 -19.584 1.00 0.00 N ATOM 591 CA GLN A 56 2.613 15.788 -20.950 1.00 0.00 C ATOM 592 C GLN A 56 1.112 16.084 -20.962 1.00 0.00 C ATOM 593 O GLN A 56 0.629 16.828 -21.814 1.00 0.00 O ATOM 594 CB GLN A 56 2.924 14.496 -21.707 1.00 0.00 C ATOM 595 CG GLN A 56 2.989 14.746 -23.215 1.00 0.00 C ATOM 596 CD GLN A 56 1.666 15.313 -23.735 1.00 0.00 C ATOM 597 OE1 GLN A 56 0.589 14.943 -23.300 1.00 0.00 O ATOM 598 NE2 GLN A 56 1.808 16.230 -24.688 1.00 0.00 N ATOM 0 H GLN A 56 3.060 14.794 -19.160 1.00 0.00 H new ATOM 0 HA GLN A 56 3.127 16.602 -21.461 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.874 14.087 -21.361 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.159 13.751 -21.491 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.799 15.441 -23.437 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.218 13.814 -23.732 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.740 16.494 -25.007 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.985 16.669 -25.100 1.00 0.00 H new ATOM 607 N GLY A 57 0.416 15.485 -20.007 1.00 0.00 N ATOM 608 CA GLY A 57 -1.021 15.675 -19.897 1.00 0.00 C ATOM 609 C GLY A 57 -1.386 17.158 -19.983 1.00 0.00 C ATOM 610 O GLY A 57 -2.518 17.503 -20.320 1.00 0.00 O ATOM 0 H GLY A 57 0.820 14.868 -19.302 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.526 15.126 -20.692 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.374 15.264 -18.951 1.00 0.00 H new ATOM 614 N LYS A 58 -0.407 17.995 -19.674 1.00 0.00 N ATOM 615 CA LYS A 58 -0.611 19.433 -19.713 1.00 0.00 C ATOM 616 C LYS A 58 -1.089 19.838 -21.108 1.00 0.00 C ATOM 617 O LYS A 58 -1.909 20.745 -21.248 1.00 0.00 O ATOM 618 CB LYS A 58 0.652 20.166 -19.258 1.00 0.00 C ATOM 619 CG LYS A 58 0.362 21.065 -18.055 1.00 0.00 C ATOM 620 CD LYS A 58 1.613 21.838 -17.633 1.00 0.00 C ATOM 621 CE LYS A 58 1.287 22.852 -16.535 1.00 0.00 C ATOM 622 NZ LYS A 58 1.648 24.220 -16.969 1.00 0.00 N ATOM 0 H LYS A 58 0.530 17.705 -19.395 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.391 19.726 -19.011 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.423 19.441 -18.997 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.044 20.767 -20.079 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.436 21.765 -18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.006 20.459 -17.222 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.372 21.142 -17.276 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.034 22.354 -18.496 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.225 22.809 -16.296 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.830 22.598 -15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.420 24.896 -16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.667 24.261 -17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.111 24.466 -17.825 1.00 0.00 H new ATOM 635 N GLU A 59 -0.557 19.147 -22.105 1.00 0.00 N ATOM 636 CA GLU A 59 -0.919 19.424 -23.485 1.00 0.00 C ATOM 637 C GLU A 59 -2.084 18.531 -23.917 1.00 0.00 C ATOM 638 O GLU A 59 -2.701 18.769 -24.955 1.00 0.00 O ATOM 639 CB GLU A 59 0.283 19.245 -24.414 1.00 0.00 C ATOM 640 CG GLU A 59 0.734 20.588 -24.993 1.00 0.00 C ATOM 641 CD GLU A 59 1.324 20.410 -26.394 1.00 0.00 C ATOM 642 OE1 GLU A 59 2.335 19.711 -26.556 1.00 0.00 O ATOM 643 OE2 GLU A 59 0.694 21.029 -27.334 1.00 0.00 O ATOM 0 H GLU A 59 0.122 18.396 -21.985 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.238 20.464 -23.555 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.106 18.787 -23.865 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.022 18.565 -25.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.113 21.273 -25.035 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.477 21.040 -24.336 1.00 0.00 H new ATOM 651 N MET A 60 -2.349 17.522 -23.101 1.00 0.00 N ATOM 652 CA MET A 60 -3.429 16.593 -23.386 1.00 0.00 C ATOM 653 C MET A 60 -3.445 16.208 -24.866 1.00 0.00 C ATOM 654 O MET A 60 -4.500 15.906 -25.422 1.00 0.00 O ATOM 655 CB MET A 60 -4.767 17.234 -23.010 1.00 0.00 C ATOM 656 CG MET A 60 -5.855 16.171 -22.840 1.00 0.00 C ATOM 657 SD MET A 60 -5.596 15.270 -21.321 1.00 0.00 S ATOM 658 CE MET A 60 -5.864 16.578 -20.136 1.00 0.00 C ATOM 0 H MET A 60 -1.834 17.327 -22.242 1.00 0.00 H new ATOM 0 HA MET A 60 -3.271 15.690 -22.797 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.657 17.798 -22.084 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.064 17.944 -23.782 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.838 16.643 -22.830 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.840 15.485 -23.687 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.485 16.208 -19.320 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.905 16.912 -19.740 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.366 17.414 -20.624 1.00 0.00 H new ATOM 668 N ASP A 61 -2.262 16.231 -25.463 1.00 0.00 N ATOM 669 CA ASP A 61 -2.126 15.889 -26.869 1.00 0.00 C ATOM 670 C ASP A 61 -1.656 14.438 -26.993 1.00 0.00 C ATOM 671 O ASP A 61 -1.659 13.872 -28.084 1.00 0.00 O ATOM 672 CB ASP A 61 -1.092 16.782 -27.556 1.00 0.00 C ATOM 673 CG ASP A 61 -1.475 17.253 -28.961 1.00 0.00 C ATOM 674 OD1 ASP A 61 -2.281 18.180 -29.126 1.00 0.00 O ATOM 675 OD2 ASP A 61 -0.900 16.616 -29.925 1.00 0.00 O ATOM 0 H ASP A 61 -1.389 16.481 -24.999 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.096 16.030 -27.346 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.918 17.658 -26.931 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.148 16.240 -27.616 1.00 0.00 H new ATOM 681 N SER A 62 -1.262 13.879 -25.858 1.00 0.00 N ATOM 682 CA SER A 62 -0.789 12.505 -25.826 1.00 0.00 C ATOM 683 C SER A 62 -1.703 11.658 -24.938 1.00 0.00 C ATOM 684 O SER A 62 -1.893 11.967 -23.763 1.00 0.00 O ATOM 685 CB SER A 62 0.655 12.431 -25.325 1.00 0.00 C ATOM 686 OG SER A 62 0.787 11.558 -24.206 1.00 0.00 O ATOM 0 H SER A 62 -1.261 14.352 -24.954 1.00 0.00 H new ATOM 0 HA SER A 62 -0.813 12.111 -26.842 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.302 12.087 -26.132 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.995 13.429 -25.048 1.00 0.00 H new ATOM 0 HG SER A 62 0.912 10.639 -24.521 1.00 0.00 H new ATOM 692 N LEU A 63 -2.245 10.606 -25.534 1.00 0.00 N ATOM 693 CA LEU A 63 -3.134 9.712 -24.812 1.00 0.00 C ATOM 694 C LEU A 63 -2.805 8.264 -25.181 1.00 0.00 C ATOM 695 O LEU A 63 -3.696 7.420 -25.253 1.00 0.00 O ATOM 696 CB LEU A 63 -4.595 10.093 -25.062 1.00 0.00 C ATOM 697 CG LEU A 63 -4.836 11.164 -26.127 1.00 0.00 C ATOM 698 CD1 LEU A 63 -6.233 11.026 -26.737 1.00 0.00 C ATOM 699 CD2 LEU A 63 -4.593 12.565 -25.562 1.00 0.00 C ATOM 0 H LEU A 63 -2.085 10.353 -26.509 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.982 9.810 -23.737 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.140 9.194 -25.349 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.025 10.440 -24.122 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.117 11.013 -26.932 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.379 11.799 -27.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.332 10.044 -27.200 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.984 11.136 -25.955 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.771 13.307 -26.340 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.271 12.744 -24.728 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.563 12.644 -25.215 1.00 0.00 H new ATOM 711 N ARG A 64 -1.521 8.022 -25.405 1.00 0.00 N ATOM 712 CA ARG A 64 -1.063 6.691 -25.765 1.00 0.00 C ATOM 713 C ARG A 64 -0.255 6.080 -24.619 1.00 0.00 C ATOM 714 O ARG A 64 0.917 6.409 -24.436 1.00 0.00 O ATOM 715 CB ARG A 64 -0.198 6.728 -27.026 1.00 0.00 C ATOM 716 CG ARG A 64 -0.340 5.432 -27.827 1.00 0.00 C ATOM 717 CD ARG A 64 0.115 5.628 -29.274 1.00 0.00 C ATOM 718 NE ARG A 64 1.200 4.675 -29.598 1.00 0.00 N ATOM 719 CZ ARG A 64 1.953 4.737 -30.717 1.00 0.00 C ATOM 720 NH1 ARG A 64 1.745 5.710 -31.630 1.00 0.00 N ATOM 721 NH2 ARG A 64 2.896 3.832 -30.905 1.00 0.00 N ATOM 0 H ARG A 64 -0.784 8.725 -25.344 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.944 6.079 -25.960 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.488 7.576 -27.646 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.846 6.877 -26.751 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.252 4.645 -27.360 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.379 5.102 -27.810 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.726 5.478 -29.951 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.463 6.651 -29.419 1.00 0.00 H new ATOM 0 HE ARG A 64 1.391 3.924 -28.934 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.015 6.405 -31.477 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.318 5.750 -32.473 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.047 3.100 -30.210 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.474 3.864 -31.745 1.00 0.00 H new ATOM 734 N PHE A 65 -0.912 5.202 -23.875 1.00 0.00 N ATOM 735 CA PHE A 65 -0.269 4.542 -22.752 1.00 0.00 C ATOM 736 C PHE A 65 0.216 3.144 -23.141 1.00 0.00 C ATOM 737 O PHE A 65 -0.588 2.273 -23.467 1.00 0.00 O ATOM 738 CB PHE A 65 -1.319 4.415 -21.647 1.00 0.00 C ATOM 739 CG PHE A 65 -2.364 3.328 -21.903 1.00 0.00 C ATOM 740 CD1 PHE A 65 -3.482 3.615 -22.622 1.00 0.00 C ATOM 741 CD2 PHE A 65 -2.175 2.074 -21.412 1.00 0.00 C ATOM 742 CE1 PHE A 65 -4.452 2.605 -22.860 1.00 0.00 C ATOM 743 CE2 PHE A 65 -3.145 1.064 -21.650 1.00 0.00 C ATOM 744 CZ PHE A 65 -4.263 1.351 -22.369 1.00 0.00 C ATOM 0 H PHE A 65 -1.884 4.932 -24.028 1.00 0.00 H new ATOM 0 HA PHE A 65 0.596 5.120 -22.427 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.815 4.205 -20.704 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.827 5.372 -21.531 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.632 4.611 -23.012 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.287 1.846 -20.841 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.340 2.833 -23.431 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.995 0.068 -21.260 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.001 0.583 -22.550 1.00 0.00 H new ATOM 754 N LEU A 66 1.529 2.974 -23.094 1.00 0.00 N ATOM 755 CA LEU A 66 2.131 1.697 -23.438 1.00 0.00 C ATOM 756 C LEU A 66 3.542 1.628 -22.850 1.00 0.00 C ATOM 757 O LEU A 66 4.079 2.637 -22.396 1.00 0.00 O ATOM 758 CB LEU A 66 2.083 1.472 -24.950 1.00 0.00 C ATOM 759 CG LEU A 66 3.262 2.032 -25.749 1.00 0.00 C ATOM 760 CD1 LEU A 66 4.533 1.221 -25.493 1.00 0.00 C ATOM 761 CD2 LEU A 66 2.924 2.114 -27.239 1.00 0.00 C ATOM 0 H LEU A 66 2.193 3.699 -22.823 1.00 0.00 H new ATOM 0 HA LEU A 66 1.562 0.877 -22.999 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.020 0.400 -25.136 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.165 1.917 -25.335 1.00 0.00 H new ATOM 0 HG LEU A 66 3.455 3.048 -25.406 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.355 1.640 -26.073 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.781 1.258 -24.432 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.370 0.185 -25.791 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.778 2.515 -27.784 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.689 1.118 -27.614 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.063 2.768 -27.381 1.00 0.00 H new ATOM 773 N TYR A 67 4.102 0.428 -22.878 1.00 0.00 N ATOM 774 CA TYR A 67 5.440 0.214 -22.354 1.00 0.00 C ATOM 775 C TYR A 67 6.438 -0.041 -23.485 1.00 0.00 C ATOM 776 O TYR A 67 7.503 0.574 -23.529 1.00 0.00 O ATOM 777 CB TYR A 67 5.354 -1.035 -21.474 1.00 0.00 C ATOM 778 CG TYR A 67 6.707 -1.524 -20.954 1.00 0.00 C ATOM 779 CD1 TYR A 67 7.587 -2.157 -21.808 1.00 0.00 C ATOM 780 CD2 TYR A 67 7.048 -1.333 -19.630 1.00 0.00 C ATOM 781 CE1 TYR A 67 8.861 -2.617 -21.318 1.00 0.00 C ATOM 782 CE2 TYR A 67 8.321 -1.793 -19.140 1.00 0.00 C ATOM 783 CZ TYR A 67 9.165 -2.413 -20.009 1.00 0.00 C ATOM 784 OH TYR A 67 10.368 -2.847 -19.546 1.00 0.00 O ATOM 0 H TYR A 67 3.653 -0.407 -23.256 1.00 0.00 H new ATOM 0 HA TYR A 67 5.781 1.091 -21.803 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.704 -0.824 -20.624 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.884 -1.837 -22.044 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.320 -2.307 -22.844 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.359 -0.838 -18.961 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.559 -3.113 -21.976 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.600 -1.649 -18.107 1.00 0.00 H new ATOM 0 HH TYR A 67 10.449 -2.632 -18.593 1.00 0.00 H new ATOM 794 N ASP A 68 6.059 -0.949 -24.372 1.00 0.00 N ATOM 795 CA ASP A 68 6.907 -1.293 -25.501 1.00 0.00 C ATOM 796 C ASP A 68 6.200 -0.907 -26.801 1.00 0.00 C ATOM 797 O ASP A 68 6.633 0.007 -27.500 1.00 0.00 O ATOM 798 CB ASP A 68 7.187 -2.796 -25.542 1.00 0.00 C ATOM 799 CG ASP A 68 8.667 -3.181 -25.498 1.00 0.00 C ATOM 800 OD1 ASP A 68 9.472 -2.543 -24.803 1.00 0.00 O ATOM 801 OD2 ASP A 68 8.988 -4.196 -26.225 1.00 0.00 O ATOM 0 H ASP A 68 5.176 -1.457 -24.332 1.00 0.00 H new ATOM 0 HA ASP A 68 7.848 -0.754 -25.392 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.680 -3.268 -24.700 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.747 -3.207 -26.451 1.00 0.00 H new ATOM 807 N GLY A 69 5.123 -1.624 -27.086 1.00 0.00 N ATOM 808 CA GLY A 69 4.351 -1.369 -28.291 1.00 0.00 C ATOM 809 C GLY A 69 3.083 -2.225 -28.321 1.00 0.00 C ATOM 810 O GLY A 69 2.731 -2.783 -29.359 1.00 0.00 O ATOM 0 H GLY A 69 4.766 -2.382 -26.503 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.083 -0.314 -28.339 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.960 -1.583 -29.169 1.00 0.00 H new ATOM 814 N ILE A 70 2.431 -2.301 -27.170 1.00 0.00 N ATOM 815 CA ILE A 70 1.210 -3.080 -27.052 1.00 0.00 C ATOM 816 C ILE A 70 0.406 -2.579 -25.850 1.00 0.00 C ATOM 817 O ILE A 70 -0.109 -3.376 -25.068 1.00 0.00 O ATOM 818 CB ILE A 70 1.531 -4.575 -26.998 1.00 0.00 C ATOM 819 CG1 ILE A 70 2.931 -4.815 -26.430 1.00 0.00 C ATOM 820 CG2 ILE A 70 1.350 -5.224 -28.371 1.00 0.00 C ATOM 821 CD1 ILE A 70 2.897 -5.854 -25.308 1.00 0.00 C ATOM 0 H ILE A 70 2.725 -1.836 -26.311 1.00 0.00 H new ATOM 0 HA ILE A 70 0.584 -2.944 -27.934 1.00 0.00 H new ATOM 0 HB ILE A 70 0.823 -5.052 -26.321 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.596 -5.154 -27.224 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.339 -3.878 -26.051 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.584 -6.286 -28.305 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.318 -5.100 -28.699 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.018 -4.749 -29.089 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.905 -6.006 -24.922 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.250 -5.501 -24.505 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.512 -6.797 -25.697 1.00 0.00 H new ATOM 833 N ARG A 71 0.323 -1.261 -25.742 1.00 0.00 N ATOM 834 CA ARG A 71 -0.410 -0.645 -24.649 1.00 0.00 C ATOM 835 C ARG A 71 -0.179 -1.421 -23.351 1.00 0.00 C ATOM 836 O ARG A 71 -1.131 -1.791 -22.666 1.00 0.00 O ATOM 837 CB ARG A 71 -1.910 -0.601 -24.948 1.00 0.00 C ATOM 838 CG ARG A 71 -2.399 -1.941 -25.500 1.00 0.00 C ATOM 839 CD ARG A 71 -3.904 -1.905 -25.775 1.00 0.00 C ATOM 840 NE ARG A 71 -4.569 -3.044 -25.105 1.00 0.00 N ATOM 841 CZ ARG A 71 -5.908 -3.198 -25.024 1.00 0.00 C ATOM 842 NH1 ARG A 71 -6.737 -2.285 -25.572 1.00 0.00 N ATOM 843 NH2 ARG A 71 -6.394 -4.256 -24.401 1.00 0.00 N ATOM 0 H ARG A 71 0.751 -0.603 -26.393 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.043 0.375 -24.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.459 -0.356 -24.038 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.118 0.190 -25.668 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.863 -2.177 -26.420 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.175 -2.735 -24.788 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.325 -0.966 -25.417 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.087 -1.947 -26.849 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.979 -3.758 -24.677 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.353 -1.471 -26.052 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.747 -2.409 -25.506 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.760 -4.942 -23.990 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.403 -4.388 -24.331 1.00 0.00 H new ATOM 856 N ILE A 72 1.092 -1.644 -23.051 1.00 0.00 N ATOM 857 CA ILE A 72 1.461 -2.368 -21.847 1.00 0.00 C ATOM 858 C ILE A 72 2.130 -1.407 -20.862 1.00 0.00 C ATOM 859 O ILE A 72 2.388 -0.251 -21.196 1.00 0.00 O ATOM 860 CB ILE A 72 2.320 -3.586 -22.196 1.00 0.00 C ATOM 861 CG1 ILE A 72 3.160 -3.324 -23.448 1.00 0.00 C ATOM 862 CG2 ILE A 72 1.459 -4.842 -22.336 1.00 0.00 C ATOM 863 CD1 ILE A 72 4.344 -4.289 -23.526 1.00 0.00 C ATOM 0 H ILE A 72 1.879 -1.336 -23.621 1.00 0.00 H new ATOM 0 HA ILE A 72 0.573 -2.763 -21.354 1.00 0.00 H new ATOM 0 HB ILE A 72 3.014 -3.762 -21.374 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.538 -3.433 -24.337 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.524 -2.297 -23.438 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.094 -5.693 -22.584 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.943 -5.036 -21.396 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.725 -4.694 -23.128 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.924 -4.081 -24.425 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.977 -4.160 -22.648 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.976 -5.314 -23.561 1.00 0.00 H new ATOM 875 N GLN A 73 2.391 -1.919 -19.669 1.00 0.00 N ATOM 876 CA GLN A 73 3.024 -1.120 -18.633 1.00 0.00 C ATOM 877 C GLN A 73 4.114 -1.931 -17.929 1.00 0.00 C ATOM 878 O GLN A 73 4.291 -3.115 -18.211 1.00 0.00 O ATOM 879 CB GLN A 73 1.990 -0.603 -17.630 1.00 0.00 C ATOM 880 CG GLN A 73 1.397 0.729 -18.092 1.00 0.00 C ATOM 881 CD GLN A 73 -0.131 0.705 -18.012 1.00 0.00 C ATOM 882 OE1 GLN A 73 -0.784 -0.249 -18.402 1.00 0.00 O ATOM 883 NE2 GLN A 73 -0.663 1.806 -17.487 1.00 0.00 N ATOM 0 H GLN A 73 2.176 -2.878 -19.396 1.00 0.00 H new ATOM 0 HA GLN A 73 3.490 -0.254 -19.103 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.194 -1.338 -17.511 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.457 -0.478 -16.653 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.785 1.538 -17.473 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.708 0.934 -19.116 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.059 2.568 -17.180 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.675 1.888 -17.391 1.00 0.00 H new ATOM 892 N ALA A 74 4.816 -1.260 -17.027 1.00 0.00 N ATOM 893 CA ALA A 74 5.884 -1.904 -16.281 1.00 0.00 C ATOM 894 C ALA A 74 5.285 -2.661 -15.094 1.00 0.00 C ATOM 895 O ALA A 74 4.931 -3.833 -15.215 1.00 0.00 O ATOM 896 CB ALA A 74 6.908 -0.853 -15.846 1.00 0.00 C ATOM 0 H ALA A 74 4.666 -0.278 -16.796 1.00 0.00 H new ATOM 0 HA ALA A 74 6.406 -2.629 -16.905 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.709 -1.336 -15.286 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.324 -0.364 -16.727 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.421 -0.110 -15.215 1.00 0.00 H new ATOM 902 N ASP A 75 5.191 -1.961 -13.973 1.00 0.00 N ATOM 903 CA ASP A 75 4.642 -2.553 -12.765 1.00 0.00 C ATOM 904 C ASP A 75 3.162 -2.182 -12.648 1.00 0.00 C ATOM 905 O ASP A 75 2.687 -1.844 -11.565 1.00 0.00 O ATOM 906 CB ASP A 75 5.360 -2.029 -11.520 1.00 0.00 C ATOM 907 CG ASP A 75 6.741 -1.423 -11.776 1.00 0.00 C ATOM 908 OD1 ASP A 75 6.933 -0.650 -12.727 1.00 0.00 O ATOM 909 OD2 ASP A 75 7.657 -1.780 -10.940 1.00 0.00 O ATOM 0 H ASP A 75 5.486 -0.989 -13.876 1.00 0.00 H new ATOM 0 HA ASP A 75 4.773 -3.633 -12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.731 -1.275 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.466 -2.848 -10.808 1.00 0.00 H new ATOM 915 N GLN A 76 2.474 -2.260 -13.778 1.00 0.00 N ATOM 916 CA GLN A 76 1.058 -1.937 -13.816 1.00 0.00 C ATOM 917 C GLN A 76 0.254 -2.986 -13.045 1.00 0.00 C ATOM 918 O GLN A 76 -0.952 -2.834 -12.858 1.00 0.00 O ATOM 919 CB GLN A 76 0.562 -1.816 -15.258 1.00 0.00 C ATOM 920 CG GLN A 76 -0.934 -2.125 -15.351 1.00 0.00 C ATOM 921 CD GLN A 76 -1.185 -3.634 -15.309 1.00 0.00 C ATOM 922 OE1 GLN A 76 -0.271 -4.442 -15.296 1.00 0.00 O ATOM 923 NE2 GLN A 76 -2.473 -3.967 -15.287 1.00 0.00 N ATOM 0 H GLN A 76 2.871 -2.542 -14.674 1.00 0.00 H new ATOM 0 HA GLN A 76 0.912 -0.970 -13.335 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.753 -0.809 -15.629 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.119 -2.501 -15.897 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.461 -1.642 -14.528 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.338 -1.711 -16.275 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.188 -3.240 -15.300 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.745 -4.950 -15.257 1.00 0.00 H new ATOM 932 N THR A 77 0.954 -4.026 -12.619 1.00 0.00 N ATOM 933 CA THR A 77 0.321 -5.100 -11.873 1.00 0.00 C ATOM 934 C THR A 77 0.493 -4.878 -10.369 1.00 0.00 C ATOM 935 O THR A 77 1.534 -4.396 -9.924 1.00 0.00 O ATOM 936 CB THR A 77 0.906 -6.426 -12.363 1.00 0.00 C ATOM 937 OG1 THR A 77 1.045 -6.245 -13.769 1.00 0.00 O ATOM 938 CG2 THR A 77 -0.083 -7.586 -12.232 1.00 0.00 C ATOM 0 H THR A 77 1.954 -4.148 -12.776 1.00 0.00 H new ATOM 0 HA THR A 77 -0.755 -5.120 -12.046 1.00 0.00 H new ATOM 0 HB THR A 77 1.810 -6.655 -11.799 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.353 -5.630 -14.090 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.382 -8.503 -12.593 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.363 -7.709 -11.186 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.974 -7.373 -12.823 1.00 0.00 H new ATOM 946 N PRO A 78 -0.570 -5.251 -9.607 1.00 0.00 N ATOM 947 CA PRO A 78 -0.546 -5.098 -8.162 1.00 0.00 C ATOM 948 C PRO A 78 0.337 -6.165 -7.513 1.00 0.00 C ATOM 949 O PRO A 78 0.726 -6.032 -6.353 1.00 0.00 O ATOM 950 CB PRO A 78 -2.001 -5.189 -7.733 1.00 0.00 C ATOM 951 CG PRO A 78 -2.736 -5.851 -8.887 1.00 0.00 C ATOM 952 CD PRO A 78 -1.819 -5.826 -10.099 1.00 0.00 C ATOM 0 HA PRO A 78 -0.110 -4.150 -7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.103 -5.774 -6.819 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.410 -4.200 -7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.003 -6.876 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.666 -5.323 -9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.663 -6.828 -10.498 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.242 -5.224 -10.903 1.00 0.00 H new ATOM 960 N GLU A 79 0.629 -7.198 -8.288 1.00 0.00 N ATOM 961 CA GLU A 79 1.459 -8.288 -7.803 1.00 0.00 C ATOM 962 C GLU A 79 2.926 -8.035 -8.156 1.00 0.00 C ATOM 963 O GLU A 79 3.812 -8.754 -7.697 1.00 0.00 O ATOM 964 CB GLU A 79 0.984 -9.630 -8.362 1.00 0.00 C ATOM 965 CG GLU A 79 1.425 -10.786 -7.461 1.00 0.00 C ATOM 966 CD GLU A 79 2.418 -11.698 -8.185 1.00 0.00 C ATOM 967 OE1 GLU A 79 2.048 -12.364 -9.163 1.00 0.00 O ATOM 968 OE2 GLU A 79 3.613 -11.698 -7.699 1.00 0.00 O ATOM 0 H GLU A 79 0.306 -7.304 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 79 1.369 -8.332 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.102 -9.627 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.385 -9.773 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.883 -10.391 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.554 -11.364 -7.152 1.00 0.00 H new ATOM 976 N ASP A 80 3.138 -7.010 -8.969 1.00 0.00 N ATOM 977 CA ASP A 80 4.482 -6.654 -9.390 1.00 0.00 C ATOM 978 C ASP A 80 4.975 -5.469 -8.556 1.00 0.00 C ATOM 979 O ASP A 80 6.059 -5.521 -7.978 1.00 0.00 O ATOM 980 CB ASP A 80 4.507 -6.239 -10.862 1.00 0.00 C ATOM 981 CG ASP A 80 5.887 -6.281 -11.522 1.00 0.00 C ATOM 982 OD1 ASP A 80 6.151 -7.119 -12.398 1.00 0.00 O ATOM 983 OD2 ASP A 80 6.722 -5.394 -11.098 1.00 0.00 O ATOM 0 H ASP A 80 2.401 -6.415 -9.347 1.00 0.00 H new ATOM 0 HA ASP A 80 5.121 -7.526 -9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.834 -6.891 -11.419 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.112 -5.227 -10.945 1.00 0.00 H new ATOM 989 N LEU A 81 4.155 -4.429 -8.522 1.00 0.00 N ATOM 990 CA LEU A 81 4.494 -3.233 -7.769 1.00 0.00 C ATOM 991 C LEU A 81 4.790 -3.616 -6.318 1.00 0.00 C ATOM 992 O LEU A 81 5.707 -3.073 -5.703 1.00 0.00 O ATOM 993 CB LEU A 81 3.395 -2.179 -7.915 1.00 0.00 C ATOM 994 CG LEU A 81 1.973 -2.643 -7.593 1.00 0.00 C ATOM 995 CD1 LEU A 81 1.642 -2.414 -6.117 1.00 0.00 C ATOM 996 CD2 LEU A 81 0.955 -1.975 -8.519 1.00 0.00 C ATOM 0 H LEU A 81 3.257 -4.390 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 81 5.399 -2.775 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.637 -1.338 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.411 -1.806 -8.939 1.00 0.00 H new ATOM 0 HG LEU A 81 1.916 -3.717 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.626 -2.752 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.341 -2.974 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.723 -1.352 -5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.047 -2.322 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.006 -0.893 -8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.180 -2.233 -9.554 1.00 0.00 H new ATOM 1008 N ASP A 82 3.996 -4.549 -5.812 1.00 0.00 N ATOM 1009 CA ASP A 82 4.162 -5.011 -4.444 1.00 0.00 C ATOM 1010 C ASP A 82 5.466 -5.803 -4.332 1.00 0.00 C ATOM 1011 O ASP A 82 5.995 -5.983 -3.237 1.00 0.00 O ATOM 1012 CB ASP A 82 3.012 -5.932 -4.031 1.00 0.00 C ATOM 1013 CG ASP A 82 2.183 -5.439 -2.844 1.00 0.00 C ATOM 1014 OD1 ASP A 82 2.489 -4.401 -2.238 1.00 0.00 O ATOM 1015 OD2 ASP A 82 1.171 -6.179 -2.541 1.00 0.00 O ATOM 0 H ASP A 82 3.237 -4.997 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 82 4.177 -4.137 -3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.350 -6.067 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.421 -6.912 -3.787 1.00 0.00 H new ATOM 1021 N MET A 83 5.947 -6.255 -5.481 1.00 0.00 N ATOM 1022 CA MET A 83 7.179 -7.024 -5.526 1.00 0.00 C ATOM 1023 C MET A 83 8.354 -6.150 -5.970 1.00 0.00 C ATOM 1024 O MET A 83 9.170 -5.736 -5.148 1.00 0.00 O ATOM 1025 CB MET A 83 7.016 -8.193 -6.499 1.00 0.00 C ATOM 1026 CG MET A 83 8.340 -8.938 -6.687 1.00 0.00 C ATOM 1027 SD MET A 83 8.265 -9.955 -8.152 1.00 0.00 S ATOM 1028 CE MET A 83 7.770 -8.732 -9.354 1.00 0.00 C ATOM 0 H MET A 83 5.506 -6.103 -6.388 1.00 0.00 H new ATOM 0 HA MET A 83 7.388 -7.400 -4.524 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.258 -8.880 -6.124 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.663 -7.823 -7.462 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.160 -8.224 -6.771 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.545 -9.558 -5.814 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.395 -8.821 -10.242 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.727 -8.892 -9.627 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.885 -7.735 -8.928 1.00 0.00 H new ATOM 1038 N GLU A 84 8.403 -5.895 -7.269 1.00 0.00 N ATOM 1039 CA GLU A 84 9.465 -5.079 -7.832 1.00 0.00 C ATOM 1040 C GLU A 84 9.370 -3.646 -7.303 1.00 0.00 C ATOM 1041 O GLU A 84 8.356 -3.261 -6.723 1.00 0.00 O ATOM 1042 CB GLU A 84 9.423 -5.102 -9.361 1.00 0.00 C ATOM 1043 CG GLU A 84 10.834 -5.053 -9.950 1.00 0.00 C ATOM 1044 CD GLU A 84 11.692 -6.202 -9.416 1.00 0.00 C ATOM 1045 OE1 GLU A 84 11.162 -7.131 -8.788 1.00 0.00 O ATOM 1046 OE2 GLU A 84 12.952 -6.108 -9.675 1.00 0.00 O ATOM 0 H GLU A 84 7.724 -6.239 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 84 10.422 -5.498 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.915 -6.004 -9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.844 -4.254 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.780 -5.110 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.302 -4.100 -9.703 1.00 0.00 H new ATOM 1054 N ASP A 85 10.440 -2.896 -7.523 1.00 0.00 N ATOM 1055 CA ASP A 85 10.489 -1.514 -7.075 1.00 0.00 C ATOM 1056 C ASP A 85 11.163 -0.659 -8.150 1.00 0.00 C ATOM 1057 O ASP A 85 12.360 -0.385 -8.070 1.00 0.00 O ATOM 1058 CB ASP A 85 11.303 -1.382 -5.786 1.00 0.00 C ATOM 1059 CG ASP A 85 12.367 -2.462 -5.579 1.00 0.00 C ATOM 1060 OD1 ASP A 85 12.054 -3.659 -5.498 1.00 0.00 O ATOM 1061 OD2 ASP A 85 13.578 -2.025 -5.499 1.00 0.00 O ATOM 0 H ASP A 85 11.279 -3.219 -8.005 1.00 0.00 H new ATOM 0 HA ASP A 85 9.467 -1.181 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.791 -0.407 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.618 -1.401 -4.938 1.00 0.00 H new ATOM 1067 N ASN A 86 10.366 -0.261 -9.130 1.00 0.00 N ATOM 1068 CA ASN A 86 10.871 0.558 -10.220 1.00 0.00 C ATOM 1069 C ASN A 86 9.713 0.938 -11.145 1.00 0.00 C ATOM 1070 O ASN A 86 9.345 0.171 -12.033 1.00 0.00 O ATOM 1071 CB ASN A 86 11.906 -0.205 -11.048 1.00 0.00 C ATOM 1072 CG ASN A 86 12.875 0.758 -11.737 1.00 0.00 C ATOM 1073 OD1 ASN A 86 12.485 1.721 -12.376 1.00 0.00 O ATOM 1074 ND2 ASN A 86 14.157 0.446 -11.571 1.00 0.00 N ATOM 0 H ASN A 86 9.374 -0.490 -9.193 1.00 0.00 H new ATOM 0 HA ASN A 86 11.336 1.444 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 86 12.462 -0.887 -10.404 1.00 0.00 H new ATOM 0 HB3 ASN A 86 11.400 -0.815 -11.796 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.882 1.028 -11.991 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.415 -0.375 -11.024 1.00 0.00 H new ATOM 1081 N ASP A 87 9.170 2.123 -10.904 1.00 0.00 N ATOM 1082 CA ASP A 87 8.062 2.615 -11.704 1.00 0.00 C ATOM 1083 C ASP A 87 8.609 3.320 -12.947 1.00 0.00 C ATOM 1084 O ASP A 87 9.329 4.311 -12.835 1.00 0.00 O ATOM 1085 CB ASP A 87 7.221 3.623 -10.919 1.00 0.00 C ATOM 1086 CG ASP A 87 6.392 3.027 -9.780 1.00 0.00 C ATOM 1087 OD1 ASP A 87 6.226 1.802 -9.684 1.00 0.00 O ATOM 1088 OD2 ASP A 87 5.897 3.888 -8.957 1.00 0.00 O ATOM 0 H ASP A 87 9.477 2.756 -10.166 1.00 0.00 H new ATOM 0 HA ASP A 87 7.440 1.763 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.884 4.383 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.548 4.129 -11.611 1.00 0.00 H new ATOM 1094 N ILE A 88 8.245 2.782 -14.102 1.00 0.00 N ATOM 1095 CA ILE A 88 8.691 3.348 -15.364 1.00 0.00 C ATOM 1096 C ILE A 88 7.768 2.869 -16.486 1.00 0.00 C ATOM 1097 O ILE A 88 7.518 1.672 -16.621 1.00 0.00 O ATOM 1098 CB ILE A 88 10.167 3.028 -15.603 1.00 0.00 C ATOM 1099 CG1 ILE A 88 10.354 2.240 -16.901 1.00 0.00 C ATOM 1100 CG2 ILE A 88 10.773 2.302 -14.400 1.00 0.00 C ATOM 1101 CD1 ILE A 88 9.928 0.782 -16.724 1.00 0.00 C ATOM 0 H ILE A 88 7.647 1.961 -14.190 1.00 0.00 H new ATOM 0 HA ILE A 88 8.625 4.436 -15.339 1.00 0.00 H new ATOM 0 HB ILE A 88 10.706 3.969 -15.716 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.768 2.700 -17.697 1.00 0.00 H new ATOM 0 HG13 ILE A 88 11.399 2.282 -17.209 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.823 2.086 -14.596 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.692 2.933 -13.515 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.236 1.368 -14.230 1.00 0.00 H new ATOM 0 HD11 ILE A 88 10.071 0.245 -17.662 1.00 0.00 H new ATOM 0 HD12 ILE A 88 10.532 0.318 -15.944 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.876 0.742 -16.440 1.00 0.00 H new ATOM 1113 N ILE A 89 7.287 3.829 -17.263 1.00 0.00 N ATOM 1114 CA ILE A 89 6.397 3.520 -18.370 1.00 0.00 C ATOM 1115 C ILE A 89 6.568 4.574 -19.466 1.00 0.00 C ATOM 1116 O ILE A 89 7.290 5.553 -19.283 1.00 0.00 O ATOM 1117 CB ILE A 89 4.957 3.376 -17.875 1.00 0.00 C ATOM 1118 CG1 ILE A 89 4.920 2.835 -16.444 1.00 0.00 C ATOM 1119 CG2 ILE A 89 4.131 2.516 -18.834 1.00 0.00 C ATOM 1120 CD1 ILE A 89 3.494 2.848 -15.889 1.00 0.00 C ATOM 0 H ILE A 89 7.497 4.821 -17.148 1.00 0.00 H new ATOM 0 HA ILE A 89 6.656 2.557 -18.810 1.00 0.00 H new ATOM 0 HB ILE A 89 4.502 4.366 -17.857 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.312 1.818 -16.426 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.567 3.437 -15.807 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.111 2.429 -18.459 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.117 2.981 -19.820 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.576 1.524 -18.908 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.496 2.459 -14.871 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.114 3.870 -15.886 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.855 2.225 -16.514 1.00 0.00 H new ATOM 1132 N GLU A 90 5.892 4.337 -20.580 1.00 0.00 N ATOM 1133 CA GLU A 90 5.961 5.254 -21.706 1.00 0.00 C ATOM 1134 C GLU A 90 4.556 5.715 -22.101 1.00 0.00 C ATOM 1135 O GLU A 90 3.615 4.923 -22.095 1.00 0.00 O ATOM 1136 CB GLU A 90 6.682 4.612 -22.893 1.00 0.00 C ATOM 1137 CG GLU A 90 6.850 5.613 -24.038 1.00 0.00 C ATOM 1138 CD GLU A 90 8.166 5.378 -24.782 1.00 0.00 C ATOM 1139 OE1 GLU A 90 8.431 4.254 -25.234 1.00 0.00 O ATOM 1140 OE2 GLU A 90 8.927 6.415 -24.885 1.00 0.00 O ATOM 0 H GLU A 90 5.294 3.524 -20.728 1.00 0.00 H new ATOM 0 HA GLU A 90 6.538 6.128 -21.403 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.660 4.249 -22.576 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.118 3.747 -23.241 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.014 5.521 -24.732 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.827 6.629 -23.644 1.00 0.00 H new ATOM 1148 N ALA A 91 4.460 6.993 -22.436 1.00 0.00 N ATOM 1149 CA ALA A 91 3.186 7.568 -22.834 1.00 0.00 C ATOM 1150 C ALA A 91 3.344 8.256 -24.191 1.00 0.00 C ATOM 1151 O ALA A 91 3.821 9.387 -24.266 1.00 0.00 O ATOM 1152 CB ALA A 91 2.698 8.528 -21.747 1.00 0.00 C ATOM 0 H ALA A 91 5.243 7.647 -22.440 1.00 0.00 H new ATOM 0 HA ALA A 91 2.431 6.790 -22.945 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.742 8.960 -22.045 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.574 7.984 -20.810 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.429 9.325 -21.610 1.00 0.00 H new ATOM 1158 N HIS A 92 2.934 7.544 -25.231 1.00 0.00 N ATOM 1159 CA HIS A 92 3.023 8.072 -26.581 1.00 0.00 C ATOM 1160 C HIS A 92 1.863 9.037 -26.833 1.00 0.00 C ATOM 1161 O HIS A 92 1.041 9.269 -25.948 1.00 0.00 O ATOM 1162 CB HIS A 92 3.083 6.937 -27.605 1.00 0.00 C ATOM 1163 CG HIS A 92 4.402 6.834 -28.333 1.00 0.00 C ATOM 1164 ND1 HIS A 92 5.509 6.202 -27.794 1.00 0.00 N ATOM 1165 CD2 HIS A 92 4.780 7.290 -29.562 1.00 0.00 C ATOM 1166 CE1 HIS A 92 6.502 6.280 -28.667 1.00 0.00 C ATOM 1167 NE2 HIS A 92 6.048 6.955 -29.762 1.00 0.00 N ATOM 0 H HIS A 92 2.539 6.606 -25.165 1.00 0.00 H new ATOM 0 HA HIS A 92 3.949 8.635 -26.694 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.886 5.993 -27.097 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.287 7.079 -28.336 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.153 7.832 -30.255 1.00 0.00 H new ATOM 0 HE1 HIS A 92 7.496 5.880 -28.535 1.00 0.00 H new ATOM 0 HE2 HIS A 92 6.594 7.167 -30.597 1.00 0.00 H new ATOM 1175 N ARG A 93 1.834 9.573 -28.044 1.00 0.00 N ATOM 1176 CA ARG A 93 0.789 10.508 -28.424 1.00 0.00 C ATOM 1177 C ARG A 93 -0.331 9.779 -29.169 1.00 0.00 C ATOM 1178 O ARG A 93 -0.082 8.789 -29.856 1.00 0.00 O ATOM 1179 CB ARG A 93 1.343 11.623 -29.314 1.00 0.00 C ATOM 1180 CG ARG A 93 2.254 12.558 -28.518 1.00 0.00 C ATOM 1181 CD ARG A 93 3.351 11.773 -27.796 1.00 0.00 C ATOM 1182 NE ARG A 93 4.432 12.689 -27.367 1.00 0.00 N ATOM 1183 CZ ARG A 93 5.285 13.302 -28.215 1.00 0.00 C ATOM 1184 NH1 ARG A 93 5.191 13.101 -29.546 1.00 0.00 N ATOM 1185 NH2 ARG A 93 6.213 14.100 -27.722 1.00 0.00 N ATOM 0 H ARG A 93 2.518 9.378 -28.775 1.00 0.00 H new ATOM 0 HA ARG A 93 0.393 10.951 -27.510 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.899 11.188 -30.144 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.519 12.192 -29.745 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.706 13.288 -29.189 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.663 13.116 -27.791 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.932 11.261 -26.930 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.755 11.005 -28.456 1.00 0.00 H new ATOM 0 HE ARG A 93 4.539 12.868 -26.369 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.471 12.482 -29.919 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.840 13.568 -30.179 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.278 14.246 -26.715 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.866 14.571 -28.348 1.00 0.00 H new ATOM 1198 N GLU A 94 -1.540 10.296 -29.009 1.00 0.00 N ATOM 1199 CA GLU A 94 -2.698 9.706 -29.658 1.00 0.00 C ATOM 1200 C GLU A 94 -3.819 10.740 -29.786 1.00 0.00 C ATOM 1201 O GLU A 94 -4.764 10.738 -28.999 1.00 0.00 O ATOM 1202 CB GLU A 94 -3.180 8.468 -28.900 1.00 0.00 C ATOM 1203 CG GLU A 94 -3.239 7.249 -29.823 1.00 0.00 C ATOM 1204 CD GLU A 94 -4.423 6.348 -29.466 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -5.262 6.726 -28.635 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -4.455 5.218 -30.088 1.00 0.00 O ATOM 0 H GLU A 94 -1.743 11.117 -28.439 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.406 9.388 -30.659 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.510 8.264 -28.065 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.167 8.657 -28.478 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.326 7.577 -30.859 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.310 6.684 -29.744 1.00 0.00 H new