USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 662 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: B 12 HIS : no HD1:sc= -3.88! C(o=-3.5!,f=-4.4!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= 0.00579 K(o=-3.5,f=-4.5) USER MOD Set 1.3: B 22 MET CE :methyl -162:sc= -0.323 (180deg=-1.43) USER MOD Set 1.4: B 40 CYS SG : rot -144:sc= 0.753 USER MOD Set 1.5: B 43 CYS SG : rot -170:sc= -0.0304 USER MOD Set 2.1: A 12 HIS : no HD1:sc= -3.79! C(o=-3.2!,f=-4.1!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= 0.00868 K(o=-3.2,f=-4.1) USER MOD Set 2.3: A 22 MET CE :methyl -163:sc= -0.266 (180deg=-1.29) USER MOD Set 2.4: A 40 CYS SG : rot -143:sc= 0.629 USER MOD Set 2.5: A 43 CYS SG : rot -170:sc= 0.193 USER MOD Single : A 1 PHE N :NH3+ 168:sc= 0.339 (180deg=0.294) USER MOD Single : A 7 LYS NZ :NH3+ -108:sc= -1.26 (180deg=-3.92!) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.187 USER MOD Single : A 17 SER OG : rot -69:sc= -0.497 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 34 LYS NZ :NH3+ -134:sc= -2.8! (180deg=-4.96!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.814! C(o=-1.9!,f=-0.81!) USER MOD Single : B 1 PHE N :NH3+ 178:sc= 0.325 (180deg=0.298) USER MOD Single : B 7 LYS NZ :NH3+ -110:sc= -1.52 (180deg=-4.27!) USER MOD Single : B 9 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.233 USER MOD Single : B 17 SER OG : rot -69:sc= -0.637 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 34 LYS NZ :NH3+ -138:sc= -2.52! (180deg=-4.28!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -0.502! K(o=-0.5!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.744 -3.424 24.194 1.00 0.00 N ATOM 2 CA PHE A 1 94.802 -4.006 25.192 1.00 0.00 C ATOM 3 C PHE A 1 94.259 -2.909 26.110 1.00 0.00 C ATOM 4 O PHE A 1 93.079 -2.630 26.133 1.00 0.00 O ATOM 5 CB PHE A 1 95.539 -5.038 26.054 1.00 0.00 C ATOM 6 CG PHE A 1 95.758 -6.316 25.269 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.694 -6.345 24.227 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.036 -7.480 25.592 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.910 -7.530 23.508 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.253 -8.663 24.868 1.00 0.00 C ATOM 11 CZ PHE A 1 96.190 -8.688 23.829 1.00 0.00 C ATOM 0 H1 PHE A 1 96.258 -4.190 23.714 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.210 -2.873 23.493 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.423 -2.803 24.679 1.00 0.00 H new ATOM 0 HA PHE A 1 93.978 -4.478 24.656 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.498 -4.633 26.378 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.961 -5.250 26.954 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.250 -5.454 23.977 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.315 -7.463 26.396 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.633 -7.550 22.706 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.696 -9.555 25.113 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.358 -9.600 23.275 1.00 0.00 H new ATOM 23 N LEU A 2 95.117 -2.313 26.895 1.00 0.00 N ATOM 24 CA LEU A 2 94.667 -1.261 27.859 1.00 0.00 C ATOM 25 C LEU A 2 94.239 0.026 27.136 1.00 0.00 C ATOM 26 O LEU A 2 93.416 0.772 27.629 1.00 0.00 O ATOM 27 CB LEU A 2 95.823 -0.913 28.807 1.00 0.00 C ATOM 28 CG LEU A 2 96.464 -2.176 29.398 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.510 -1.758 30.438 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.399 -3.044 30.077 1.00 0.00 C ATOM 0 H LEU A 2 96.118 -2.510 26.911 1.00 0.00 H new ATOM 0 HA LEU A 2 93.813 -1.659 28.407 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.577 -0.339 28.268 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.455 -0.279 29.613 1.00 0.00 H new ATOM 0 HG LEU A 2 96.931 -2.751 28.598 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.973 -2.647 30.866 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.274 -1.145 29.960 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.027 -1.184 31.229 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.867 -3.937 30.492 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.924 -2.477 30.878 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.647 -3.336 29.344 1.00 0.00 H new ATOM 42 N ASP A 3 94.809 0.328 26.006 1.00 0.00 N ATOM 43 CA ASP A 3 94.439 1.598 25.308 1.00 0.00 C ATOM 44 C ASP A 3 92.963 1.605 24.904 1.00 0.00 C ATOM 45 O ASP A 3 92.228 2.527 25.206 1.00 0.00 O ATOM 46 CB ASP A 3 95.307 1.730 24.064 1.00 0.00 C ATOM 47 CG ASP A 3 96.745 2.030 24.489 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.949 2.340 25.652 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.620 1.940 23.644 1.00 0.00 O ATOM 0 H ASP A 3 95.511 -0.242 25.534 1.00 0.00 H new ATOM 0 HA ASP A 3 94.601 2.435 25.987 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.271 0.810 23.481 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.929 2.528 23.424 1.00 0.00 H new ATOM 54 N GLY A 4 92.526 0.588 24.223 1.00 0.00 N ATOM 55 CA GLY A 4 91.100 0.541 23.797 1.00 0.00 C ATOM 56 C GLY A 4 90.199 0.306 25.007 1.00 0.00 C ATOM 57 O GLY A 4 89.167 0.927 25.161 1.00 0.00 O ATOM 0 H GLY A 4 93.092 -0.213 23.942 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.828 1.476 23.307 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.956 -0.255 23.067 1.00 0.00 H new ATOM 61 N ILE A 5 90.575 -0.594 25.867 1.00 0.00 N ATOM 62 CA ILE A 5 89.735 -0.873 27.056 1.00 0.00 C ATOM 63 C ILE A 5 89.558 0.402 27.880 1.00 0.00 C ATOM 64 O ILE A 5 88.484 0.684 28.373 1.00 0.00 O ATOM 65 CB ILE A 5 90.425 -1.949 27.889 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.416 -3.251 27.088 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.668 -2.151 29.197 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.288 -4.296 27.787 1.00 0.00 C ATOM 0 H ILE A 5 91.429 -1.148 25.797 1.00 0.00 H new ATOM 0 HA ILE A 5 88.749 -1.219 26.747 1.00 0.00 H new ATOM 0 HB ILE A 5 91.448 -1.650 28.116 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.396 -3.622 26.991 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.787 -3.071 26.079 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.164 -2.920 29.789 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.653 -1.216 29.757 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.646 -2.462 28.981 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.278 -5.222 27.212 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.311 -3.926 27.861 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.898 -4.486 28.787 1.00 0.00 H new ATOM 80 N ASP A 6 90.586 1.188 28.025 1.00 0.00 N ATOM 81 CA ASP A 6 90.433 2.433 28.819 1.00 0.00 C ATOM 82 C ASP A 6 89.296 3.263 28.225 1.00 0.00 C ATOM 83 O ASP A 6 88.451 3.766 28.939 1.00 0.00 O ATOM 84 CB ASP A 6 91.736 3.225 28.779 1.00 0.00 C ATOM 85 CG ASP A 6 91.668 4.371 29.791 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.586 4.620 30.304 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.697 4.972 30.050 1.00 0.00 O ATOM 0 H ASP A 6 91.513 1.025 27.633 1.00 0.00 H new ATOM 0 HA ASP A 6 90.200 2.189 29.856 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.578 2.572 29.009 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.903 3.620 27.777 1.00 0.00 H new ATOM 92 N LYS A 7 89.249 3.391 26.926 1.00 0.00 N ATOM 93 CA LYS A 7 88.135 4.171 26.307 1.00 0.00 C ATOM 94 C LYS A 7 86.825 3.407 26.498 1.00 0.00 C ATOM 95 O LYS A 7 85.813 3.961 26.888 1.00 0.00 O ATOM 96 CB LYS A 7 88.395 4.363 24.805 1.00 0.00 C ATOM 97 CG LYS A 7 87.382 5.360 24.228 1.00 0.00 C ATOM 98 CD LYS A 7 87.533 5.451 22.701 1.00 0.00 C ATOM 99 CE LYS A 7 88.795 6.247 22.325 1.00 0.00 C ATOM 100 NZ LYS A 7 89.995 5.372 22.433 1.00 0.00 N ATOM 0 H LYS A 7 89.924 2.995 26.272 1.00 0.00 H new ATOM 0 HA LYS A 7 88.072 5.149 26.785 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.410 4.728 24.646 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.315 3.407 24.287 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.369 5.048 24.482 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.534 6.343 24.674 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.589 4.449 22.276 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.653 5.931 22.272 1.00 0.00 H new ATOM 0 HE2 LYS A 7 88.704 6.631 21.309 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.902 7.109 22.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.556 5.653 23.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.694 4.382 22.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.574 5.469 21.575 1.00 0.00 H new ATOM 114 N ALA A 8 86.843 2.131 26.230 1.00 0.00 N ATOM 115 CA ALA A 8 85.612 1.308 26.399 1.00 0.00 C ATOM 116 C ALA A 8 85.203 1.301 27.870 1.00 0.00 C ATOM 117 O ALA A 8 84.034 1.272 28.205 1.00 0.00 O ATOM 118 CB ALA A 8 85.896 -0.125 25.940 1.00 0.00 C ATOM 0 H ALA A 8 87.662 1.620 25.899 1.00 0.00 H new ATOM 0 HA ALA A 8 84.804 1.730 25.801 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.998 -0.731 26.062 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.190 -0.119 24.890 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.702 -0.546 26.541 1.00 0.00 H new ATOM 124 N GLN A 9 86.162 1.315 28.755 1.00 0.00 N ATOM 125 CA GLN A 9 85.830 1.289 30.200 1.00 0.00 C ATOM 126 C GLN A 9 84.954 2.494 30.540 1.00 0.00 C ATOM 127 O GLN A 9 84.000 2.387 31.286 1.00 0.00 O ATOM 128 CB GLN A 9 87.129 1.334 31.008 1.00 0.00 C ATOM 129 CG GLN A 9 86.836 1.045 32.480 1.00 0.00 C ATOM 130 CD GLN A 9 88.115 1.245 33.295 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.250 1.404 32.672 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 88.081 1.256 34.512 1.00 0.00 N flip ATOM 0 H GLN A 9 87.158 1.343 28.537 1.00 0.00 H new ATOM 0 HA GLN A 9 85.285 0.377 30.444 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.836 0.601 30.618 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.597 2.313 30.907 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.051 1.708 32.844 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.471 0.025 32.597 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.193 1.132 34.999 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.940 1.390 35.045 1.00 0.00 H new ATOM 141 N GLU A 10 85.248 3.632 29.973 1.00 0.00 N ATOM 142 CA GLU A 10 84.413 4.827 30.249 1.00 0.00 C ATOM 143 C GLU A 10 82.981 4.532 29.788 1.00 0.00 C ATOM 144 O GLU A 10 82.023 4.884 30.444 1.00 0.00 O ATOM 145 CB GLU A 10 84.972 6.018 29.466 1.00 0.00 C ATOM 146 CG GLU A 10 84.276 7.310 29.914 1.00 0.00 C ATOM 147 CD GLU A 10 84.788 8.491 29.084 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.649 8.275 28.250 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.314 9.591 29.306 1.00 0.00 O ATOM 0 H GLU A 10 86.028 3.782 29.333 1.00 0.00 H new ATOM 0 HA GLU A 10 84.420 5.062 31.313 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.047 6.099 29.628 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.821 5.865 28.397 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.197 7.212 29.796 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.466 7.488 30.972 1.00 0.00 H new ATOM 156 N GLU A 11 82.837 3.868 28.665 1.00 0.00 N ATOM 157 CA GLU A 11 81.469 3.533 28.173 1.00 0.00 C ATOM 158 C GLU A 11 80.786 2.665 29.220 1.00 0.00 C ATOM 159 O GLU A 11 79.618 2.825 29.509 1.00 0.00 O ATOM 160 CB GLU A 11 81.567 2.768 26.838 1.00 0.00 C ATOM 161 CG GLU A 11 80.165 2.470 26.273 1.00 0.00 C ATOM 162 CD GLU A 11 79.534 1.304 27.041 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.274 0.558 27.657 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.324 1.181 27.004 1.00 0.00 O ATOM 0 H GLU A 11 83.604 3.547 28.074 1.00 0.00 H new ATOM 0 HA GLU A 11 80.894 4.444 28.009 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.137 3.356 26.118 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.109 1.835 26.988 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.534 3.355 26.355 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.234 2.225 25.213 1.00 0.00 H new ATOM 171 N HIS A 12 81.508 1.745 29.801 1.00 0.00 N ATOM 172 CA HIS A 12 80.887 0.881 30.833 1.00 0.00 C ATOM 173 C HIS A 12 80.434 1.733 32.014 1.00 0.00 C ATOM 174 O HIS A 12 79.342 1.591 32.512 1.00 0.00 O ATOM 175 CB HIS A 12 81.881 -0.171 31.341 1.00 0.00 C ATOM 176 CG HIS A 12 81.157 -1.030 32.333 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.760 -2.339 32.040 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.650 -0.747 33.575 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.029 -2.782 33.082 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.950 -1.844 34.014 1.00 0.00 N ATOM 0 H HIS A 12 82.492 1.559 29.605 1.00 0.00 H new ATOM 0 HA HIS A 12 80.034 0.376 30.380 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.258 -0.774 30.515 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.743 0.308 31.805 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.779 0.179 34.115 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.574 -3.759 33.148 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.456 -1.923 34.903 1.00 0.00 H new ATOM 188 N GLU A 13 81.276 2.603 32.483 1.00 0.00 N ATOM 189 CA GLU A 13 80.905 3.436 33.659 1.00 0.00 C ATOM 190 C GLU A 13 79.651 4.268 33.347 1.00 0.00 C ATOM 191 O GLU A 13 78.739 4.356 34.146 1.00 0.00 O ATOM 192 CB GLU A 13 82.083 4.364 33.990 1.00 0.00 C ATOM 193 CG GLU A 13 81.849 5.016 35.350 1.00 0.00 C ATOM 194 CD GLU A 13 83.000 5.975 35.671 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.815 6.208 34.794 1.00 0.00 O ATOM 196 OE2 GLU A 13 83.052 6.453 36.791 1.00 0.00 O ATOM 0 H GLU A 13 82.207 2.776 32.104 1.00 0.00 H new ATOM 0 HA GLU A 13 80.685 2.794 34.512 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.014 3.798 34.001 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.185 5.129 33.220 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.903 5.557 35.346 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.775 4.251 36.123 1.00 0.00 H new ATOM 203 N LYS A 14 79.606 4.885 32.201 1.00 0.00 N ATOM 204 CA LYS A 14 78.432 5.734 31.828 1.00 0.00 C ATOM 205 C LYS A 14 77.110 4.957 31.776 1.00 0.00 C ATOM 206 O LYS A 14 76.058 5.530 31.988 1.00 0.00 O ATOM 207 CB LYS A 14 78.687 6.350 30.456 1.00 0.00 C ATOM 208 CG LYS A 14 79.874 7.315 30.536 1.00 0.00 C ATOM 209 CD LYS A 14 80.189 7.855 29.137 1.00 0.00 C ATOM 210 CE LYS A 14 79.101 8.845 28.696 1.00 0.00 C ATOM 211 NZ LYS A 14 79.630 9.679 27.585 1.00 0.00 N ATOM 0 H LYS A 14 80.340 4.839 31.495 1.00 0.00 H new ATOM 0 HA LYS A 14 78.330 6.493 32.603 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.892 5.566 29.727 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.798 6.879 30.113 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.642 8.138 31.211 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.745 6.803 30.945 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.161 8.348 29.139 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.252 7.031 28.426 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.210 8.307 28.372 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.804 9.477 29.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.900 10.353 27.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.468 10.201 27.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.893 9.067 26.786 1.00 0.00 H new ATOM 225 N TYR A 15 77.122 3.688 31.441 1.00 0.00 N ATOM 226 CA TYR A 15 75.818 2.942 31.323 1.00 0.00 C ATOM 227 C TYR A 15 75.895 1.527 31.912 1.00 0.00 C ATOM 228 O TYR A 15 74.905 0.827 31.942 1.00 0.00 O ATOM 229 CB TYR A 15 75.483 2.811 29.837 1.00 0.00 C ATOM 230 CG TYR A 15 75.657 4.148 29.147 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.629 5.102 29.184 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.850 4.431 28.466 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.794 6.332 28.532 1.00 0.00 C ATOM 234 CE2 TYR A 15 77.011 5.657 27.813 1.00 0.00 C ATOM 235 CZ TYR A 15 75.988 6.609 27.850 1.00 0.00 C ATOM 236 OH TYR A 15 76.146 7.816 27.198 1.00 0.00 O ATOM 0 H TYR A 15 77.960 3.140 31.246 1.00 0.00 H new ATOM 0 HA TYR A 15 75.062 3.499 31.877 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.131 2.067 29.374 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.458 2.461 29.716 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.712 4.889 29.714 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.646 3.701 28.446 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.002 7.066 28.555 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.926 5.868 27.280 1.00 0.00 H new ATOM 0 HH TYR A 15 75.626 8.507 27.659 1.00 0.00 H new ATOM 246 N HIS A 16 77.044 1.074 32.330 1.00 0.00 N ATOM 247 CA HIS A 16 77.140 -0.320 32.856 1.00 0.00 C ATOM 248 C HIS A 16 76.595 -1.255 31.783 1.00 0.00 C ATOM 249 O HIS A 16 75.851 -2.175 32.058 1.00 0.00 O ATOM 250 CB HIS A 16 76.323 -0.500 34.135 1.00 0.00 C ATOM 251 CG HIS A 16 76.946 0.243 35.283 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.992 -0.252 36.052 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.619 1.439 35.875 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.255 0.598 37.047 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.443 1.657 36.986 1.00 0.00 N ATOM 0 H HIS A 16 77.916 1.603 32.331 1.00 0.00 H new ATOM 0 HA HIS A 16 78.180 -0.540 33.095 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.306 -0.141 33.974 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.252 -1.560 34.379 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.844 2.110 35.535 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.018 0.450 37.797 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.427 2.458 37.617 1.00 0.00 H new ATOM 263 N SER A 17 76.950 -1.003 30.556 1.00 0.00 N ATOM 264 CA SER A 17 76.448 -1.851 29.447 1.00 0.00 C ATOM 265 C SER A 17 76.909 -3.296 29.644 1.00 0.00 C ATOM 266 O SER A 17 77.891 -3.562 30.314 1.00 0.00 O ATOM 267 CB SER A 17 76.977 -1.317 28.114 1.00 0.00 C ATOM 268 OG SER A 17 78.392 -1.423 28.085 1.00 0.00 O ATOM 0 H SER A 17 77.569 -0.243 30.274 1.00 0.00 H new ATOM 0 HA SER A 17 75.358 -1.824 29.441 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.543 -1.880 27.288 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.678 -0.277 27.983 1.00 0.00 H new ATOM 0 HG SER A 17 78.781 -0.789 28.723 1.00 0.00 H new ATOM 274 N ASN A 18 76.207 -4.234 29.069 1.00 0.00 N ATOM 275 CA ASN A 18 76.605 -5.656 29.225 1.00 0.00 C ATOM 276 C ASN A 18 77.854 -5.927 28.394 1.00 0.00 C ATOM 277 O ASN A 18 78.124 -5.248 27.423 1.00 0.00 O ATOM 278 CB ASN A 18 75.469 -6.559 28.748 1.00 0.00 C ATOM 279 CG ASN A 18 74.273 -6.412 29.692 1.00 0.00 C ATOM 280 OD1 ASN A 18 73.257 -5.861 29.318 1.00 0.00 O ATOM 281 ND2 ASN A 18 74.355 -6.875 30.913 1.00 0.00 N ATOM 0 H ASN A 18 75.376 -4.074 28.499 1.00 0.00 H new ATOM 0 HA ASN A 18 76.815 -5.862 30.275 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.179 -6.292 27.732 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.801 -7.597 28.722 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.566 -6.773 31.551 1.00 0.00 H new ATOM 0 HD22 ASN A 18 75.208 -7.338 31.227 1.00 0.00 H new ATOM 288 N TRP A 19 78.621 -6.908 28.760 1.00 0.00 N ATOM 289 CA TRP A 19 79.846 -7.201 27.972 1.00 0.00 C ATOM 290 C TRP A 19 79.464 -7.438 26.511 1.00 0.00 C ATOM 291 O TRP A 19 80.234 -7.176 25.610 1.00 0.00 O ATOM 292 CB TRP A 19 80.584 -8.419 28.545 1.00 0.00 C ATOM 293 CG TRP A 19 79.844 -9.681 28.250 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.041 -10.321 29.124 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.839 -10.474 27.027 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.544 -11.462 28.522 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.006 -11.601 27.229 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.466 -10.326 25.779 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.806 -12.551 26.224 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.266 -11.279 24.764 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.438 -12.390 24.986 1.00 0.00 C ATOM 0 H TRP A 19 78.457 -7.516 29.563 1.00 0.00 H new ATOM 0 HA TRP A 19 80.521 -6.347 28.031 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.587 -8.474 28.121 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.700 -8.305 29.623 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.822 -9.995 30.130 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.913 -12.121 28.978 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.106 -9.475 25.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.168 -13.404 26.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.753 -11.155 23.808 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.289 -13.119 24.203 1.00 0.00 H new ATOM 312 N ARG A 20 78.280 -7.931 26.259 1.00 0.00 N ATOM 313 CA ARG A 20 77.873 -8.176 24.847 1.00 0.00 C ATOM 314 C ARG A 20 77.806 -6.852 24.078 1.00 0.00 C ATOM 315 O ARG A 20 78.212 -6.771 22.935 1.00 0.00 O ATOM 316 CB ARG A 20 76.495 -8.836 24.825 1.00 0.00 C ATOM 317 CG ARG A 20 76.546 -10.177 25.553 1.00 0.00 C ATOM 318 CD ARG A 20 75.167 -10.841 25.482 1.00 0.00 C ATOM 319 NE ARG A 20 74.183 -10.014 26.240 1.00 0.00 N ATOM 320 CZ ARG A 20 72.897 -10.191 26.073 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.454 -11.115 25.267 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.055 -9.429 26.717 1.00 0.00 N ATOM 0 H ARG A 20 77.584 -8.172 26.964 1.00 0.00 H new ATOM 0 HA ARG A 20 78.608 -8.828 24.375 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.762 -8.183 25.299 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.170 -8.984 23.795 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.298 -10.823 25.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.839 -10.029 26.593 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.852 -10.941 24.443 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.213 -11.847 25.900 1.00 0.00 H new ATOM 0 HE ARG A 20 74.515 -9.305 26.894 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.111 -11.708 24.760 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.450 -11.245 25.143 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.401 -8.703 27.344 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.051 -9.560 26.593 1.00 0.00 H new ATOM 336 N ALA A 21 77.295 -5.817 24.690 1.00 0.00 N ATOM 337 CA ALA A 21 77.201 -4.506 23.989 1.00 0.00 C ATOM 338 C ALA A 21 78.604 -3.934 23.758 1.00 0.00 C ATOM 339 O ALA A 21 78.930 -3.494 22.673 1.00 0.00 O ATOM 340 CB ALA A 21 76.376 -3.546 24.853 1.00 0.00 C ATOM 0 H ALA A 21 76.939 -5.824 25.646 1.00 0.00 H new ATOM 0 HA ALA A 21 76.718 -4.637 23.020 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.299 -2.581 24.352 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.378 -3.958 25.003 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.864 -3.415 25.819 1.00 0.00 H new ATOM 346 N MET A 22 79.439 -3.934 24.765 1.00 0.00 N ATOM 347 CA MET A 22 80.820 -3.387 24.587 1.00 0.00 C ATOM 348 C MET A 22 81.553 -4.187 23.518 1.00 0.00 C ATOM 349 O MET A 22 82.296 -3.647 22.724 1.00 0.00 O ATOM 350 CB MET A 22 81.586 -3.475 25.901 1.00 0.00 C ATOM 351 CG MET A 22 80.946 -2.543 26.937 1.00 0.00 C ATOM 352 SD MET A 22 82.020 -2.430 28.393 1.00 0.00 S ATOM 353 CE MET A 22 81.707 -4.094 29.026 1.00 0.00 C ATOM 0 H MET A 22 79.227 -4.287 25.698 1.00 0.00 H new ATOM 0 HA MET A 22 80.753 -2.343 24.279 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.580 -4.501 26.268 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.629 -3.199 25.744 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.794 -1.553 26.507 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.965 -2.920 27.224 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.021 -4.152 30.068 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.642 -4.316 28.955 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.269 -4.819 28.437 1.00 0.00 H new ATOM 363 N ALA A 23 81.353 -5.472 23.487 1.00 0.00 N ATOM 364 CA ALA A 23 82.047 -6.283 22.457 1.00 0.00 C ATOM 365 C ALA A 23 81.689 -5.727 21.078 1.00 0.00 C ATOM 366 O ALA A 23 82.545 -5.482 20.251 1.00 0.00 O ATOM 367 CB ALA A 23 81.586 -7.742 22.556 1.00 0.00 C ATOM 0 H ALA A 23 80.746 -5.990 24.123 1.00 0.00 H new ATOM 0 HA ALA A 23 83.125 -6.239 22.610 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.096 -8.337 21.799 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.824 -8.132 23.545 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.509 -7.795 22.394 1.00 0.00 H new ATOM 373 N SER A 24 80.426 -5.525 20.829 1.00 0.00 N ATOM 374 CA SER A 24 80.002 -4.993 19.505 1.00 0.00 C ATOM 375 C SER A 24 80.431 -3.530 19.356 1.00 0.00 C ATOM 376 O SER A 24 80.783 -3.088 18.279 1.00 0.00 O ATOM 377 CB SER A 24 78.488 -5.115 19.386 1.00 0.00 C ATOM 378 OG SER A 24 78.092 -4.789 18.061 1.00 0.00 O ATOM 0 H SER A 24 79.668 -5.706 21.487 1.00 0.00 H new ATOM 0 HA SER A 24 80.479 -5.568 18.711 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.173 -6.129 19.633 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.001 -4.448 20.098 1.00 0.00 H new ATOM 0 HG SER A 24 77.118 -4.868 17.982 1.00 0.00 H new ATOM 384 N ASP A 25 80.408 -2.778 20.420 1.00 0.00 N ATOM 385 CA ASP A 25 80.810 -1.346 20.329 1.00 0.00 C ATOM 386 C ASP A 25 82.253 -1.232 19.819 1.00 0.00 C ATOM 387 O ASP A 25 82.544 -0.447 18.941 1.00 0.00 O ATOM 388 CB ASP A 25 80.712 -0.714 21.717 1.00 0.00 C ATOM 389 CG ASP A 25 80.902 0.800 21.599 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.348 1.238 20.554 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.594 1.494 22.553 1.00 0.00 O ATOM 0 H ASP A 25 80.128 -3.092 21.349 1.00 0.00 H new ATOM 0 HA ASP A 25 80.148 -0.830 19.634 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.743 -0.937 22.163 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.470 -1.137 22.376 1.00 0.00 H new ATOM 396 N PHE A 26 83.157 -2.010 20.363 1.00 0.00 N ATOM 397 CA PHE A 26 84.589 -1.953 19.915 1.00 0.00 C ATOM 398 C PHE A 26 84.950 -3.210 19.116 1.00 0.00 C ATOM 399 O PHE A 26 86.079 -3.386 18.704 1.00 0.00 O ATOM 400 CB PHE A 26 85.484 -1.835 21.153 1.00 0.00 C ATOM 401 CG PHE A 26 85.138 -0.551 21.877 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.782 0.645 21.535 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.153 -0.551 22.877 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.443 1.841 22.190 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.812 0.644 23.528 1.00 0.00 C ATOM 406 CZ PHE A 26 84.458 1.840 23.185 1.00 0.00 C ATOM 0 H PHE A 26 82.966 -2.686 21.102 1.00 0.00 H new ATOM 0 HA PHE A 26 84.737 -1.089 19.268 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.336 -2.692 21.810 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.534 -1.834 20.862 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.541 0.648 20.766 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.657 -1.472 23.146 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.942 2.761 21.926 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.051 0.643 24.294 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.196 2.759 23.688 1.00 0.00 H new ATOM 416 N ASN A 27 84.004 -4.078 18.885 1.00 0.00 N ATOM 417 CA ASN A 27 84.299 -5.314 18.100 1.00 0.00 C ATOM 418 C ASN A 27 85.450 -6.081 18.758 1.00 0.00 C ATOM 419 O ASN A 27 86.355 -6.549 18.096 1.00 0.00 O ATOM 420 CB ASN A 27 84.678 -4.935 16.661 1.00 0.00 C ATOM 421 CG ASN A 27 83.516 -4.182 16.010 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.373 -4.573 16.150 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.758 -3.106 15.314 1.00 0.00 N ATOM 0 H ASN A 27 83.040 -3.987 19.205 1.00 0.00 H new ATOM 0 HA ASN A 27 83.413 -5.949 18.080 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.574 -4.314 16.661 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.912 -5.832 16.087 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.988 -2.591 14.886 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.717 -2.779 15.197 1.00 0.00 H new ATOM 430 N LEU A 28 85.411 -6.224 20.061 1.00 0.00 N ATOM 431 CA LEU A 28 86.490 -6.972 20.789 1.00 0.00 C ATOM 432 C LEU A 28 85.893 -8.303 21.268 1.00 0.00 C ATOM 433 O LEU A 28 84.701 -8.396 21.493 1.00 0.00 O ATOM 434 CB LEU A 28 86.955 -6.133 21.998 1.00 0.00 C ATOM 435 CG LEU A 28 87.538 -4.788 21.524 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.694 -3.850 22.722 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.923 -4.989 20.891 1.00 0.00 C ATOM 0 H LEU A 28 84.672 -5.852 20.658 1.00 0.00 H new ATOM 0 HA LEU A 28 87.346 -7.158 20.141 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.116 -5.956 22.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.707 -6.684 22.564 1.00 0.00 H new ATOM 0 HG LEU A 28 86.858 -4.363 20.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.106 -2.898 22.388 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.720 -3.682 23.182 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.367 -4.301 23.452 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.316 -4.027 20.563 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.599 -5.426 21.626 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.838 -5.657 20.034 1.00 0.00 H new ATOM 449 N PRO A 29 86.693 -9.334 21.423 1.00 0.00 N ATOM 450 CA PRO A 29 86.177 -10.655 21.881 1.00 0.00 C ATOM 451 C PRO A 29 85.598 -10.565 23.304 1.00 0.00 C ATOM 452 O PRO A 29 86.033 -9.748 24.095 1.00 0.00 O ATOM 453 CB PRO A 29 87.415 -11.576 21.852 1.00 0.00 C ATOM 454 CG PRO A 29 88.592 -10.655 21.886 1.00 0.00 C ATOM 455 CD PRO A 29 88.148 -9.369 21.188 1.00 0.00 C ATOM 0 HA PRO A 29 85.365 -11.021 21.252 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.421 -12.254 22.706 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.425 -12.194 20.954 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.900 -10.455 22.912 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.448 -11.098 21.377 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.643 -8.493 21.607 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.382 -9.389 20.124 1.00 0.00 H new ATOM 463 N PRO A 30 84.639 -11.399 23.631 1.00 0.00 N ATOM 464 CA PRO A 30 84.014 -11.409 24.985 1.00 0.00 C ATOM 465 C PRO A 30 85.059 -11.283 26.098 1.00 0.00 C ATOM 466 O PRO A 30 84.845 -10.635 27.100 1.00 0.00 O ATOM 467 CB PRO A 30 83.300 -12.775 25.070 1.00 0.00 C ATOM 468 CG PRO A 30 83.139 -13.266 23.651 1.00 0.00 C ATOM 469 CD PRO A 30 84.047 -12.412 22.745 1.00 0.00 C ATOM 0 HA PRO A 30 83.337 -10.565 25.119 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.884 -13.481 25.661 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.330 -12.676 25.558 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.411 -14.319 23.579 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.099 -13.183 23.335 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.818 -13.022 22.275 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.475 -11.946 21.942 1.00 0.00 H new ATOM 477 N VAL A 31 86.178 -11.920 25.930 1.00 0.00 N ATOM 478 CA VAL A 31 87.232 -11.870 26.982 1.00 0.00 C ATOM 479 C VAL A 31 87.533 -10.430 27.365 1.00 0.00 C ATOM 480 O VAL A 31 87.549 -10.079 28.528 1.00 0.00 O ATOM 481 CB VAL A 31 88.512 -12.517 26.424 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.750 -12.172 27.281 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.331 -14.032 26.386 1.00 0.00 C ATOM 0 H VAL A 31 86.412 -12.476 25.108 1.00 0.00 H new ATOM 0 HA VAL A 31 86.883 -12.404 27.866 1.00 0.00 H new ATOM 0 HB VAL A 31 88.679 -12.125 25.421 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.633 -12.648 26.853 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.892 -11.091 27.297 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.600 -12.533 28.299 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.235 -14.497 25.991 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.144 -14.401 27.394 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.485 -14.281 25.745 1.00 0.00 H new ATOM 493 N VAL A 32 87.798 -9.600 26.406 1.00 0.00 N ATOM 494 CA VAL A 32 88.128 -8.197 26.750 1.00 0.00 C ATOM 495 C VAL A 32 86.910 -7.520 27.361 1.00 0.00 C ATOM 496 O VAL A 32 86.997 -6.854 28.375 1.00 0.00 O ATOM 497 CB VAL A 32 88.563 -7.430 25.502 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.823 -5.970 25.880 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.848 -8.047 24.940 1.00 0.00 C ATOM 0 H VAL A 32 87.801 -9.826 25.411 1.00 0.00 H new ATOM 0 HA VAL A 32 88.948 -8.197 27.468 1.00 0.00 H new ATOM 0 HB VAL A 32 87.779 -7.484 24.747 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.134 -5.415 24.995 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.910 -5.530 26.282 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.610 -5.924 26.633 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.156 -7.498 24.050 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.636 -7.993 25.691 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.667 -9.090 24.679 1.00 0.00 H new ATOM 509 N ALA A 33 85.775 -7.679 26.750 1.00 0.00 N ATOM 510 CA ALA A 33 84.552 -7.033 27.294 1.00 0.00 C ATOM 511 C ALA A 33 84.185 -7.659 28.640 1.00 0.00 C ATOM 512 O ALA A 33 83.854 -6.967 29.584 1.00 0.00 O ATOM 513 CB ALA A 33 83.387 -7.213 26.319 1.00 0.00 C ATOM 0 H ALA A 33 85.639 -8.226 25.900 1.00 0.00 H new ATOM 0 HA ALA A 33 84.750 -5.970 27.430 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.495 -6.737 26.726 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.639 -6.755 25.363 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.196 -8.276 26.173 1.00 0.00 H new ATOM 519 N LYS A 34 84.233 -8.960 28.739 1.00 0.00 N ATOM 520 CA LYS A 34 83.879 -9.611 30.029 1.00 0.00 C ATOM 521 C LYS A 34 84.827 -9.153 31.130 1.00 0.00 C ATOM 522 O LYS A 34 84.430 -8.992 32.267 1.00 0.00 O ATOM 523 CB LYS A 34 83.945 -11.129 29.896 1.00 0.00 C ATOM 524 CG LYS A 34 82.793 -11.612 29.013 1.00 0.00 C ATOM 525 CD LYS A 34 82.965 -13.104 28.714 1.00 0.00 C ATOM 526 CE LYS A 34 82.799 -13.934 29.999 1.00 0.00 C ATOM 527 NZ LYS A 34 84.102 -14.000 30.710 1.00 0.00 N ATOM 0 H LYS A 34 84.500 -9.595 27.987 1.00 0.00 H new ATOM 0 HA LYS A 34 82.861 -9.321 30.290 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.900 -11.426 29.462 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.884 -11.594 30.880 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.840 -11.439 29.514 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.772 -11.044 28.083 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.231 -13.419 27.973 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.950 -13.283 28.283 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.043 -13.484 30.642 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.453 -14.938 29.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 84.286 -14.979 31.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.861 -13.684 30.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 84.072 -13.383 31.547 1.00 0.00 H new ATOM 541 N GLU A 35 86.081 -8.969 30.827 1.00 0.00 N ATOM 542 CA GLU A 35 87.034 -8.543 31.895 1.00 0.00 C ATOM 543 C GLU A 35 86.604 -7.193 32.462 1.00 0.00 C ATOM 544 O GLU A 35 86.722 -6.943 33.645 1.00 0.00 O ATOM 545 CB GLU A 35 88.445 -8.438 31.325 1.00 0.00 C ATOM 546 CG GLU A 35 89.467 -8.334 32.472 1.00 0.00 C ATOM 547 CD GLU A 35 89.457 -6.918 33.060 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.969 -6.019 32.395 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.945 -6.752 34.167 1.00 0.00 O ATOM 0 H GLU A 35 86.486 -9.093 29.899 1.00 0.00 H new ATOM 0 HA GLU A 35 87.028 -9.286 32.693 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.664 -9.310 30.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.521 -7.564 30.678 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.229 -9.060 33.249 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.464 -8.576 32.104 1.00 0.00 H new ATOM 556 N ILE A 36 86.101 -6.315 31.640 1.00 0.00 N ATOM 557 CA ILE A 36 85.658 -4.997 32.164 1.00 0.00 C ATOM 558 C ILE A 36 84.573 -5.235 33.209 1.00 0.00 C ATOM 559 O ILE A 36 84.532 -4.588 34.238 1.00 0.00 O ATOM 560 CB ILE A 36 85.114 -4.139 31.022 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.243 -3.887 30.020 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.612 -2.799 31.577 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.710 -3.114 28.812 1.00 0.00 C ATOM 0 H ILE A 36 85.979 -6.452 30.637 1.00 0.00 H new ATOM 0 HA ILE A 36 86.498 -4.471 32.617 1.00 0.00 H new ATOM 0 HB ILE A 36 84.287 -4.653 30.532 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.045 -3.323 30.497 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.670 -4.836 29.695 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.225 -2.189 30.761 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.819 -2.980 32.303 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.435 -2.275 32.062 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.521 -2.940 28.105 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.924 -3.693 28.327 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.305 -2.158 29.142 1.00 0.00 H new ATOM 575 N VAL A 37 83.701 -6.172 32.963 1.00 0.00 N ATOM 576 CA VAL A 37 82.627 -6.459 33.954 1.00 0.00 C ATOM 577 C VAL A 37 83.264 -6.957 35.252 1.00 0.00 C ATOM 578 O VAL A 37 82.841 -6.612 36.340 1.00 0.00 O ATOM 579 CB VAL A 37 81.684 -7.527 33.397 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.667 -7.911 34.471 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.944 -6.964 32.182 1.00 0.00 C ATOM 0 H VAL A 37 83.685 -6.749 32.122 1.00 0.00 H new ATOM 0 HA VAL A 37 82.057 -5.551 34.152 1.00 0.00 H new ATOM 0 HB VAL A 37 82.258 -8.405 33.103 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.993 -8.672 34.078 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.190 -8.304 35.343 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.092 -7.031 34.759 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.271 -7.723 31.782 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.368 -6.088 32.481 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.666 -6.679 31.416 1.00 0.00 H new ATOM 591 N ALA A 38 84.281 -7.759 35.141 1.00 0.00 N ATOM 592 CA ALA A 38 84.960 -8.277 36.357 1.00 0.00 C ATOM 593 C ALA A 38 85.496 -7.093 37.168 1.00 0.00 C ATOM 594 O ALA A 38 85.533 -7.120 38.377 1.00 0.00 O ATOM 595 CB ALA A 38 86.122 -9.184 35.943 1.00 0.00 C ATOM 0 H ALA A 38 84.674 -8.080 34.256 1.00 0.00 H new ATOM 0 HA ALA A 38 84.256 -8.849 36.961 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.621 -9.565 36.834 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.740 -10.019 35.356 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.833 -8.614 35.344 1.00 0.00 H new ATOM 601 N SER A 39 85.915 -6.052 36.503 1.00 0.00 N ATOM 602 CA SER A 39 86.452 -4.861 37.228 1.00 0.00 C ATOM 603 C SER A 39 85.299 -4.080 37.864 1.00 0.00 C ATOM 604 O SER A 39 85.455 -3.443 38.886 1.00 0.00 O ATOM 605 CB SER A 39 87.188 -3.965 36.233 1.00 0.00 C ATOM 606 OG SER A 39 88.203 -4.719 35.584 1.00 0.00 O ATOM 0 H SER A 39 85.909 -5.973 35.486 1.00 0.00 H new ATOM 0 HA SER A 39 87.137 -5.186 38.011 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.488 -3.567 35.498 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.627 -3.112 36.750 1.00 0.00 H new ATOM 0 HG SER A 39 88.676 -4.148 34.944 1.00 0.00 H new ATOM 612 N CYS A 40 84.145 -4.123 37.268 1.00 0.00 N ATOM 613 CA CYS A 40 82.984 -3.385 37.841 1.00 0.00 C ATOM 614 C CYS A 40 82.351 -4.228 38.953 1.00 0.00 C ATOM 615 O CYS A 40 81.646 -5.182 38.695 1.00 0.00 O ATOM 616 CB CYS A 40 81.950 -3.148 36.745 1.00 0.00 C ATOM 617 SG CYS A 40 80.529 -2.262 37.430 1.00 0.00 S ATOM 0 H CYS A 40 83.952 -4.637 36.408 1.00 0.00 H new ATOM 0 HA CYS A 40 83.319 -2.430 38.246 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.393 -2.572 35.932 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.628 -4.100 36.323 1.00 0.00 H new ATOM 0 HG CYS A 40 79.436 -2.707 36.884 1.00 0.00 H new ATOM 622 N ASP A 41 82.599 -3.892 40.187 1.00 0.00 N ATOM 623 CA ASP A 41 82.015 -4.681 41.306 1.00 0.00 C ATOM 624 C ASP A 41 80.481 -4.655 41.235 1.00 0.00 C ATOM 625 O ASP A 41 79.821 -5.576 41.673 1.00 0.00 O ATOM 626 CB ASP A 41 82.472 -4.080 42.641 1.00 0.00 C ATOM 627 CG ASP A 41 83.980 -4.294 42.818 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.531 -5.117 42.104 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.557 -3.633 43.669 1.00 0.00 O ATOM 0 H ASP A 41 83.182 -3.104 40.470 1.00 0.00 H new ATOM 0 HA ASP A 41 82.354 -5.714 41.226 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.241 -3.015 42.669 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.930 -4.546 43.464 1.00 0.00 H new ATOM 634 N LYS A 42 79.904 -3.602 40.719 1.00 0.00 N ATOM 635 CA LYS A 42 78.410 -3.524 40.662 1.00 0.00 C ATOM 636 C LYS A 42 77.848 -4.533 39.658 1.00 0.00 C ATOM 637 O LYS A 42 76.821 -5.145 39.891 1.00 0.00 O ATOM 638 CB LYS A 42 77.990 -2.113 40.254 1.00 0.00 C ATOM 639 CG LYS A 42 78.480 -1.119 41.305 1.00 0.00 C ATOM 640 CD LYS A 42 77.858 0.252 41.024 1.00 0.00 C ATOM 641 CE LYS A 42 78.416 1.289 42.001 1.00 0.00 C ATOM 642 NZ LYS A 42 77.884 2.637 41.648 1.00 0.00 N ATOM 0 H LYS A 42 80.397 -2.795 40.336 1.00 0.00 H new ATOM 0 HA LYS A 42 78.013 -3.761 41.649 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.408 -1.864 39.278 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.906 -2.056 40.160 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.204 -1.460 42.303 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.568 -1.051 41.281 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.071 0.554 39.999 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.774 0.195 41.121 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.136 1.031 43.022 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.505 1.294 41.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.262 3.344 42.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.173 2.881 40.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.846 2.627 41.707 1.00 0.00 H new ATOM 656 N CYS A 43 78.505 -4.715 38.549 1.00 0.00 N ATOM 657 CA CYS A 43 78.014 -5.695 37.531 1.00 0.00 C ATOM 658 C CYS A 43 78.628 -7.067 37.801 1.00 0.00 C ATOM 659 O CYS A 43 78.195 -8.068 37.263 1.00 0.00 O ATOM 660 CB CYS A 43 78.431 -5.237 36.138 1.00 0.00 C ATOM 661 SG CYS A 43 77.518 -3.739 35.694 1.00 0.00 S ATOM 0 H CYS A 43 79.365 -4.227 38.299 1.00 0.00 H new ATOM 0 HA CYS A 43 76.927 -5.757 37.592 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.503 -5.042 36.114 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.234 -6.025 35.411 1.00 0.00 H new ATOM 0 HG CYS A 43 77.713 -3.468 34.438 1.00 0.00 H new ATOM 666 N GLN A 44 79.653 -7.123 38.610 1.00 0.00 N ATOM 667 CA GLN A 44 80.314 -8.436 38.892 1.00 0.00 C ATOM 668 C GLN A 44 79.383 -9.307 39.745 1.00 0.00 C ATOM 669 O GLN A 44 78.907 -10.332 39.300 1.00 0.00 O ATOM 670 CB GLN A 44 81.641 -8.207 39.632 1.00 0.00 C ATOM 671 CG GLN A 44 82.398 -9.531 39.732 1.00 0.00 C ATOM 672 CD GLN A 44 83.695 -9.315 40.513 1.00 0.00 C ATOM 673 OE1 GLN A 44 83.856 -9.819 41.607 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 84.638 -8.587 39.988 1.00 0.00 N flip ATOM 0 H GLN A 44 80.062 -6.320 39.088 1.00 0.00 H new ATOM 0 HA GLN A 44 80.519 -8.945 37.950 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.244 -7.469 39.102 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.451 -7.807 40.628 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.781 -10.279 40.230 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.620 -9.912 38.735 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.504 -8.164 39.070 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.511 -8.440 40.495 1.00 0.00 H new ATOM 844 N PHE B 1 93.341 -14.258 20.864 1.00 0.00 N ATOM 845 CA PHE B 1 92.769 -14.076 22.233 1.00 0.00 C ATOM 846 C PHE B 1 92.339 -15.432 22.809 1.00 0.00 C ATOM 847 O PHE B 1 92.860 -15.892 23.807 1.00 0.00 O ATOM 848 CB PHE B 1 91.538 -13.162 22.166 1.00 0.00 C ATOM 849 CG PHE B 1 91.959 -11.724 21.965 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.466 -11.319 20.728 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.822 -10.791 23.007 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.836 -9.982 20.526 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.195 -9.459 22.804 1.00 0.00 C ATOM 854 CZ PHE B 1 92.700 -9.054 21.563 1.00 0.00 C ATOM 0 H1 PHE B 1 93.598 -13.331 20.469 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.189 -14.858 20.919 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.635 -14.712 20.250 1.00 0.00 H new ATOM 0 HA PHE B 1 93.532 -13.629 22.870 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.889 -13.475 21.348 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.959 -13.253 23.085 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.573 -12.036 19.927 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.429 -11.103 23.963 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.226 -9.669 19.569 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.093 -8.742 23.605 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.985 -8.024 21.406 1.00 0.00 H new ATOM 866 N LEU B 2 91.362 -16.051 22.212 1.00 0.00 N ATOM 867 CA LEU B 2 90.858 -17.355 22.738 1.00 0.00 C ATOM 868 C LEU B 2 91.887 -18.481 22.515 1.00 0.00 C ATOM 869 O LEU B 2 91.927 -19.441 23.258 1.00 0.00 O ATOM 870 CB LEU B 2 89.556 -17.728 22.012 1.00 0.00 C ATOM 871 CG LEU B 2 88.572 -16.546 21.990 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.254 -17.008 21.360 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.303 -16.055 23.414 1.00 0.00 C ATOM 0 H LEU B 2 90.886 -15.710 21.377 1.00 0.00 H new ATOM 0 HA LEU B 2 90.684 -17.244 23.808 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.781 -18.036 20.991 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.092 -18.581 22.507 1.00 0.00 H new ATOM 0 HG LEU B 2 89.003 -15.731 21.409 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.549 -16.177 21.340 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.438 -17.352 20.342 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.836 -17.824 21.949 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.605 -15.218 23.385 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.873 -16.865 24.003 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.239 -15.731 23.870 1.00 0.00 H new ATOM 885 N ASP B 3 92.688 -18.404 21.486 1.00 0.00 N ATOM 886 CA ASP B 3 93.668 -19.509 21.228 1.00 0.00 C ATOM 887 C ASP B 3 94.669 -19.646 22.379 1.00 0.00 C ATOM 888 O ASP B 3 94.837 -20.710 22.944 1.00 0.00 O ATOM 889 CB ASP B 3 94.421 -19.216 19.933 1.00 0.00 C ATOM 890 CG ASP B 3 93.460 -19.355 18.755 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.357 -19.831 18.972 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.838 -18.977 17.660 1.00 0.00 O ATOM 0 H ASP B 3 92.710 -17.634 20.817 1.00 0.00 H new ATOM 0 HA ASP B 3 93.117 -20.446 21.144 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.839 -18.210 19.961 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.257 -19.906 19.820 1.00 0.00 H new ATOM 897 N GLY B 4 95.342 -18.587 22.729 1.00 0.00 N ATOM 898 CA GLY B 4 96.337 -18.675 23.839 1.00 0.00 C ATOM 899 C GLY B 4 95.613 -18.896 25.168 1.00 0.00 C ATOM 900 O GLY B 4 96.009 -19.704 25.982 1.00 0.00 O ATOM 0 H GLY B 4 95.249 -17.667 22.298 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.032 -19.494 23.653 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.927 -17.760 23.884 1.00 0.00 H new ATOM 904 N ILE B 5 94.553 -18.170 25.392 1.00 0.00 N ATOM 905 CA ILE B 5 93.802 -18.312 26.666 1.00 0.00 C ATOM 906 C ILE B 5 93.313 -19.750 26.835 1.00 0.00 C ATOM 907 O ILE B 5 93.350 -20.299 27.919 1.00 0.00 O ATOM 908 CB ILE B 5 92.607 -17.360 26.655 1.00 0.00 C ATOM 909 CG1 ILE B 5 93.129 -15.920 26.672 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.736 -17.601 27.892 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.980 -14.952 26.392 1.00 0.00 C ATOM 0 H ILE B 5 94.174 -17.481 24.742 1.00 0.00 H new ATOM 0 HA ILE B 5 94.461 -18.067 27.499 1.00 0.00 H new ATOM 0 HB ILE B 5 92.007 -17.533 25.761 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.577 -15.697 27.640 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.911 -15.798 25.923 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.886 -16.919 27.877 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.376 -18.630 27.888 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.326 -17.426 28.792 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.355 -13.929 26.405 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.552 -15.169 25.414 1.00 0.00 H new ATOM 0 HD13 ILE B 5 91.213 -15.067 27.158 1.00 0.00 H new ATOM 923 N ASP B 6 92.857 -20.378 25.784 1.00 0.00 N ATOM 924 CA ASP B 6 92.377 -21.777 25.936 1.00 0.00 C ATOM 925 C ASP B 6 93.521 -22.612 26.506 1.00 0.00 C ATOM 926 O ASP B 6 93.337 -23.396 27.416 1.00 0.00 O ATOM 927 CB ASP B 6 91.949 -22.332 24.572 1.00 0.00 C ATOM 928 CG ASP B 6 91.220 -23.666 24.748 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.214 -24.180 25.858 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.676 -24.156 23.771 1.00 0.00 O ATOM 0 H ASP B 6 92.797 -19.989 24.843 1.00 0.00 H new ATOM 0 HA ASP B 6 91.518 -21.812 26.606 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.298 -21.617 24.069 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.824 -22.469 23.936 1.00 0.00 H new ATOM 935 N LYS B 7 94.710 -22.433 26.005 1.00 0.00 N ATOM 936 CA LYS B 7 95.852 -23.210 26.563 1.00 0.00 C ATOM 937 C LYS B 7 96.134 -22.737 27.990 1.00 0.00 C ATOM 938 O LYS B 7 96.276 -23.527 28.903 1.00 0.00 O ATOM 939 CB LYS B 7 97.104 -22.999 25.706 1.00 0.00 C ATOM 940 CG LYS B 7 98.188 -23.983 26.156 1.00 0.00 C ATOM 941 CD LYS B 7 99.493 -23.717 25.393 1.00 0.00 C ATOM 942 CE LYS B 7 99.375 -24.203 23.935 1.00 0.00 C ATOM 943 NZ LYS B 7 98.639 -23.196 23.121 1.00 0.00 N ATOM 0 H LYS B 7 94.940 -21.793 25.245 1.00 0.00 H new ATOM 0 HA LYS B 7 95.595 -24.269 26.564 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.870 -23.153 24.653 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.461 -21.974 25.807 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.358 -23.883 27.228 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.857 -25.006 25.980 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.720 -22.651 25.410 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.320 -24.227 25.887 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.368 -24.366 23.516 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.854 -25.160 23.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.705 -23.573 22.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.520 -22.323 23.674 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.178 -22.988 22.256 1.00 0.00 H new ATOM 957 N ALA B 8 96.205 -21.450 28.186 1.00 0.00 N ATOM 958 CA ALA B 8 96.475 -20.912 29.546 1.00 0.00 C ATOM 959 C ALA B 8 95.328 -21.295 30.483 1.00 0.00 C ATOM 960 O ALA B 8 95.525 -21.542 31.657 1.00 0.00 O ATOM 961 CB ALA B 8 96.577 -19.392 29.469 1.00 0.00 C ATOM 0 H ALA B 8 96.087 -20.745 27.458 1.00 0.00 H new ATOM 0 HA ALA B 8 97.408 -21.327 29.926 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.775 -18.990 30.463 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.390 -19.115 28.797 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.640 -18.983 29.092 1.00 0.00 H new ATOM 967 N GLN B 9 94.129 -21.326 29.978 1.00 0.00 N ATOM 968 CA GLN B 9 92.981 -21.676 30.845 1.00 0.00 C ATOM 969 C GLN B 9 93.222 -23.044 31.474 1.00 0.00 C ATOM 970 O GLN B 9 92.939 -23.257 32.636 1.00 0.00 O ATOM 971 CB GLN B 9 91.701 -21.709 30.013 1.00 0.00 C ATOM 972 CG GLN B 9 90.493 -21.831 30.944 1.00 0.00 C ATOM 973 CD GLN B 9 89.221 -21.989 30.106 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.279 -21.826 28.811 1.00 0.00 O flip ATOM 975 NE2 GLN B 9 88.167 -22.271 30.635 1.00 0.00 N flip ATOM 0 H GLN B 9 93.898 -21.124 29.005 1.00 0.00 H new ATOM 0 HA GLN B 9 92.877 -20.929 31.631 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.621 -20.803 29.412 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.726 -22.550 29.320 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.615 -22.688 31.606 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.417 -20.947 31.578 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.122 -22.398 31.646 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.326 -22.381 30.069 1.00 0.00 H new ATOM 984 N GLU B 10 93.766 -23.969 30.721 1.00 0.00 N ATOM 985 CA GLU B 10 94.050 -25.316 31.288 1.00 0.00 C ATOM 986 C GLU B 10 95.029 -25.147 32.451 1.00 0.00 C ATOM 987 O GLU B 10 94.904 -25.780 33.477 1.00 0.00 O ATOM 988 CB GLU B 10 94.660 -26.221 30.211 1.00 0.00 C ATOM 989 CG GLU B 10 94.727 -27.671 30.726 1.00 0.00 C ATOM 990 CD GLU B 10 95.429 -28.564 29.695 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.815 -28.050 28.659 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.562 -29.745 29.962 1.00 0.00 O ATOM 0 H GLU B 10 94.024 -23.846 29.742 1.00 0.00 H new ATOM 0 HA GLU B 10 93.128 -25.779 31.640 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.060 -26.175 29.302 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.659 -25.871 29.952 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.265 -27.704 31.674 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.721 -28.044 30.917 1.00 0.00 H new ATOM 999 N GLU B 11 96.007 -24.286 32.299 1.00 0.00 N ATOM 1000 CA GLU B 11 96.985 -24.064 33.404 1.00 0.00 C ATOM 1001 C GLU B 11 96.228 -23.586 34.641 1.00 0.00 C ATOM 1002 O GLU B 11 96.496 -24.001 35.750 1.00 0.00 O ATOM 1003 CB GLU B 11 98.012 -23.013 32.959 1.00 0.00 C ATOM 1004 CG GLU B 11 99.083 -22.829 34.043 1.00 0.00 C ATOM 1005 CD GLU B 11 98.512 -22.011 35.209 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.547 -21.298 34.990 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.045 -22.121 36.298 1.00 0.00 O ATOM 0 H GLU B 11 96.168 -23.730 31.459 1.00 0.00 H new ATOM 0 HA GLU B 11 97.510 -24.988 33.644 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.479 -23.323 32.024 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.512 -22.064 32.766 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.421 -23.801 34.401 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.953 -22.323 33.624 1.00 0.00 H new ATOM 1014 N HIS B 12 95.277 -22.715 34.460 1.00 0.00 N ATOM 1015 CA HIS B 12 94.503 -22.219 35.627 1.00 0.00 C ATOM 1016 C HIS B 12 93.771 -23.382 36.301 1.00 0.00 C ATOM 1017 O HIS B 12 93.770 -23.524 37.502 1.00 0.00 O ATOM 1018 CB HIS B 12 93.467 -21.192 35.166 1.00 0.00 C ATOM 1019 CG HIS B 12 92.764 -20.696 36.388 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.002 -19.426 36.934 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.930 -21.337 37.261 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.329 -19.361 38.103 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.681 -20.498 38.318 1.00 0.00 N ATOM 0 H HIS B 12 95.004 -22.327 33.557 1.00 0.00 H new ATOM 0 HA HIS B 12 95.195 -21.758 36.332 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.949 -20.369 34.639 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.759 -21.644 34.472 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.534 -22.334 37.139 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.320 -18.508 38.766 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.099 -20.712 39.128 1.00 0.00 H new ATOM 1031 N GLU B 13 93.120 -24.193 35.532 1.00 0.00 N ATOM 1032 CA GLU B 13 92.359 -25.325 36.119 1.00 0.00 C ATOM 1033 C GLU B 13 93.292 -26.253 36.905 1.00 0.00 C ATOM 1034 O GLU B 13 92.979 -26.693 37.995 1.00 0.00 O ATOM 1035 CB GLU B 13 91.688 -26.101 34.984 1.00 0.00 C ATOM 1036 CG GLU B 13 90.699 -27.112 35.569 1.00 0.00 C ATOM 1037 CD GLU B 13 90.062 -27.937 34.447 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.420 -27.722 33.299 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.224 -28.768 34.755 1.00 0.00 O ATOM 0 H GLU B 13 93.079 -24.124 34.515 1.00 0.00 H new ATOM 0 HA GLU B 13 91.607 -24.939 36.807 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.169 -25.413 34.317 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.441 -26.616 34.387 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.213 -27.771 36.269 1.00 0.00 H new ATOM 0 HG3 GLU B 13 89.925 -26.591 36.132 1.00 0.00 H new ATOM 1046 N LYS B 14 94.420 -26.571 36.343 1.00 0.00 N ATOM 1047 CA LYS B 14 95.376 -27.495 37.018 1.00 0.00 C ATOM 1048 C LYS B 14 95.874 -26.961 38.367 1.00 0.00 C ATOM 1049 O LYS B 14 96.177 -27.734 39.255 1.00 0.00 O ATOM 1050 CB LYS B 14 96.582 -27.711 36.108 1.00 0.00 C ATOM 1051 CG LYS B 14 96.152 -28.451 34.839 1.00 0.00 C ATOM 1052 CD LYS B 14 97.358 -28.603 33.902 1.00 0.00 C ATOM 1053 CE LYS B 14 98.324 -29.667 34.438 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.225 -30.090 33.338 1.00 0.00 N ATOM 0 H LYS B 14 94.727 -26.227 35.433 1.00 0.00 H new ATOM 0 HA LYS B 14 94.842 -28.426 37.209 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.027 -26.751 35.846 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.346 -28.285 36.633 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.751 -29.432 35.095 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.355 -27.902 34.337 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.018 -28.881 32.904 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.875 -27.648 33.808 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.905 -29.266 35.269 1.00 0.00 H new ATOM 0 HE3 LYS B 14 97.768 -30.523 34.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.886 -30.812 33.689 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.660 -30.486 32.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.761 -29.268 32.993 1.00 0.00 H new ATOM 1068 N TYR B 15 96.025 -25.665 38.523 1.00 0.00 N ATOM 1069 CA TYR B 15 96.581 -25.129 39.816 1.00 0.00 C ATOM 1070 C TYR B 15 95.806 -23.895 40.323 1.00 0.00 C ATOM 1071 O TYR B 15 96.106 -23.377 41.380 1.00 0.00 O ATOM 1072 CB TYR B 15 98.035 -24.719 39.554 1.00 0.00 C ATOM 1073 CG TYR B 15 98.760 -25.818 38.806 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.317 -26.896 39.505 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.882 -25.750 37.410 1.00 0.00 C ATOM 1076 CE1 TYR B 15 99.992 -27.907 38.811 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.555 -26.760 36.719 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.111 -27.840 37.419 1.00 0.00 C ATOM 1079 OH TYR B 15 100.770 -28.840 36.737 1.00 0.00 O ATOM 0 H TYR B 15 95.792 -24.961 37.823 1.00 0.00 H new ATOM 0 HA TYR B 15 96.497 -25.903 40.579 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.062 -23.796 38.975 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.540 -24.518 40.499 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.226 -26.947 40.580 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.456 -24.917 36.870 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.421 -28.739 39.350 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.647 -26.709 35.644 1.00 0.00 H new ATOM 0 HH TYR B 15 100.671 -29.686 37.221 1.00 0.00 H new ATOM 1089 N HIS B 16 94.865 -23.386 39.580 1.00 0.00 N ATOM 1090 CA HIS B 16 94.138 -22.154 40.028 1.00 0.00 C ATOM 1091 C HIS B 16 95.189 -21.081 40.305 1.00 0.00 C ATOM 1092 O HIS B 16 95.116 -20.347 41.271 1.00 0.00 O ATOM 1093 CB HIS B 16 93.303 -22.397 41.297 1.00 0.00 C ATOM 1094 CG HIS B 16 92.120 -23.287 41.002 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.927 -22.830 40.463 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.902 -24.628 41.229 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.051 -23.837 40.385 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.598 -24.968 40.841 1.00 0.00 N ATOM 0 H HIS B 16 94.564 -23.765 38.682 1.00 0.00 H new ATOM 0 HA HIS B 16 93.442 -21.848 39.247 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.926 -22.856 42.065 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.956 -21.444 41.696 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.626 -25.314 41.643 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.043 -23.749 40.007 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.159 -25.887 40.895 1.00 0.00 H new ATOM 1106 N SER B 17 96.180 -21.005 39.462 1.00 0.00 N ATOM 1107 CA SER B 17 97.263 -20.006 39.661 1.00 0.00 C ATOM 1108 C SER B 17 96.680 -18.584 39.663 1.00 0.00 C ATOM 1109 O SER B 17 95.646 -18.326 39.077 1.00 0.00 O ATOM 1110 CB SER B 17 98.276 -20.146 38.528 1.00 0.00 C ATOM 1111 OG SER B 17 97.655 -19.795 37.296 1.00 0.00 O ATOM 0 H SER B 17 96.286 -21.597 38.638 1.00 0.00 H new ATOM 0 HA SER B 17 97.750 -20.183 40.620 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.136 -19.502 38.712 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.649 -21.169 38.482 1.00 0.00 H new ATOM 0 HG SER B 17 96.990 -20.475 37.059 1.00 0.00 H new ATOM 1117 N ASN B 18 97.342 -17.666 40.315 1.00 0.00 N ATOM 1118 CA ASN B 18 96.833 -16.265 40.360 1.00 0.00 C ATOM 1119 C ASN B 18 97.014 -15.626 38.984 1.00 0.00 C ATOM 1120 O ASN B 18 97.848 -16.041 38.205 1.00 0.00 O ATOM 1121 CB ASN B 18 97.611 -15.467 41.413 1.00 0.00 C ATOM 1122 CG ASN B 18 97.373 -16.068 42.802 1.00 0.00 C ATOM 1123 OD1 ASN B 18 98.257 -16.671 43.375 1.00 0.00 O ATOM 1124 ND2 ASN B 18 96.205 -15.926 43.368 1.00 0.00 N ATOM 0 H ASN B 18 98.214 -17.826 40.819 1.00 0.00 H new ATOM 0 HA ASN B 18 95.776 -16.264 40.627 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.675 -15.480 41.179 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.294 -14.424 41.399 1.00 0.00 H new ATOM 0 HD21 ASN B 18 96.035 -16.322 44.292 1.00 0.00 H new ATOM 0 HD22 ASN B 18 95.463 -15.419 42.886 1.00 0.00 H new ATOM 1131 N TRP B 19 96.241 -14.629 38.664 1.00 0.00 N ATOM 1132 CA TRP B 19 96.385 -13.987 37.326 1.00 0.00 C ATOM 1133 C TRP B 19 97.823 -13.484 37.145 1.00 0.00 C ATOM 1134 O TRP B 19 98.329 -13.417 36.040 1.00 0.00 O ATOM 1135 CB TRP B 19 95.381 -12.836 37.183 1.00 0.00 C ATOM 1136 CG TRP B 19 95.778 -11.682 38.042 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.267 -11.413 39.264 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.752 -10.636 37.767 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.857 -10.263 39.753 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.778 -9.745 38.867 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.599 -10.371 36.678 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.619 -8.634 38.887 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.449 -9.253 36.695 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.456 -8.386 37.796 1.00 0.00 C ATOM 0 H TRP B 19 95.519 -14.231 39.265 1.00 0.00 H new ATOM 0 HA TRP B 19 96.174 -14.721 36.548 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.328 -12.520 36.141 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.385 -13.179 37.463 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.519 -12.001 39.775 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.638 -9.848 40.659 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.597 -11.031 35.823 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.624 -7.970 39.739 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.100 -9.061 35.855 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.109 -7.526 37.801 1.00 0.00 H new ATOM 1155 N ARG B 20 98.487 -13.132 38.211 1.00 0.00 N ATOM 1156 CA ARG B 20 99.889 -12.638 38.079 1.00 0.00 C ATOM 1157 C ARG B 20 100.788 -13.737 37.513 1.00 0.00 C ATOM 1158 O ARG B 20 101.659 -13.484 36.704 1.00 0.00 O ATOM 1159 CB ARG B 20 100.417 -12.216 39.455 1.00 0.00 C ATOM 1160 CG ARG B 20 99.562 -11.089 40.021 1.00 0.00 C ATOM 1161 CD ARG B 20 100.123 -10.672 41.383 1.00 0.00 C ATOM 1162 NE ARG B 20 100.033 -11.831 42.329 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.715 -11.837 43.450 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.473 -10.827 43.765 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.647 -12.865 44.255 1.00 0.00 N ATOM 0 H ARG B 20 98.123 -13.164 39.163 1.00 0.00 H new ATOM 0 HA ARG B 20 99.897 -11.785 37.401 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.405 -13.068 40.135 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.454 -11.889 39.371 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.560 -10.239 39.339 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.528 -11.417 40.124 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.160 -10.351 41.280 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.564 -9.823 41.775 1.00 0.00 H new ATOM 0 HE ARG B 20 99.435 -12.624 42.099 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.539 -10.024 43.139 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.001 -10.838 44.638 1.00 0.00 H new ATOM 0 HH21 ARG B 20 100.063 -13.665 44.012 1.00 0.00 H new ATOM 0 HH22 ARG B 20 101.178 -12.867 45.126 1.00 0.00 H new ATOM 1179 N ALA B 21 100.592 -14.955 37.944 1.00 0.00 N ATOM 1180 CA ALA B 21 101.441 -16.078 37.439 1.00 0.00 C ATOM 1181 C ALA B 21 101.110 -16.371 35.972 1.00 0.00 C ATOM 1182 O ALA B 21 101.992 -16.498 35.145 1.00 0.00 O ATOM 1183 CB ALA B 21 101.179 -17.328 38.286 1.00 0.00 C ATOM 0 H ALA B 21 99.881 -15.223 38.624 1.00 0.00 H new ATOM 0 HA ALA B 21 102.491 -15.796 37.513 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.796 -18.150 37.922 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.428 -17.121 39.327 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.127 -17.603 38.212 1.00 0.00 H new ATOM 1189 N MET B 22 99.852 -16.474 35.641 1.00 0.00 N ATOM 1190 CA MET B 22 99.475 -16.755 34.225 1.00 0.00 C ATOM 1191 C MET B 22 99.997 -15.627 33.340 1.00 0.00 C ATOM 1192 O MET B 22 100.457 -15.859 32.239 1.00 0.00 O ATOM 1193 CB MET B 22 97.958 -16.837 34.104 1.00 0.00 C ATOM 1194 CG MET B 22 97.458 -18.076 34.851 1.00 0.00 C ATOM 1195 SD MET B 22 95.713 -18.354 34.454 1.00 0.00 S ATOM 1196 CE MET B 22 95.056 -16.924 35.336 1.00 0.00 C ATOM 0 H MET B 22 99.069 -16.376 36.288 1.00 0.00 H new ATOM 0 HA MET B 22 99.910 -17.704 33.911 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.499 -15.939 34.518 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.667 -16.889 33.055 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.050 -18.947 34.570 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.581 -17.941 35.926 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.987 -17.058 35.502 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.562 -16.825 36.296 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.221 -16.024 34.744 1.00 0.00 H new ATOM 1206 N ALA B 23 99.937 -14.412 33.811 1.00 0.00 N ATOM 1207 CA ALA B 23 100.446 -13.278 32.989 1.00 0.00 C ATOM 1208 C ALA B 23 101.913 -13.532 32.621 1.00 0.00 C ATOM 1209 O ALA B 23 102.301 -13.446 31.474 1.00 0.00 O ATOM 1210 CB ALA B 23 100.340 -11.986 33.805 1.00 0.00 C ATOM 0 H ALA B 23 99.560 -14.156 34.724 1.00 0.00 H new ATOM 0 HA ALA B 23 99.856 -13.188 32.077 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.710 -11.150 33.212 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.298 -11.809 34.072 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.936 -12.079 34.713 1.00 0.00 H new ATOM 1216 N SER B 24 102.728 -13.862 33.587 1.00 0.00 N ATOM 1217 CA SER B 24 104.168 -14.133 33.300 1.00 0.00 C ATOM 1218 C SER B 24 104.310 -15.443 32.518 1.00 0.00 C ATOM 1219 O SER B 24 105.189 -15.593 31.695 1.00 0.00 O ATOM 1220 CB SER B 24 104.924 -14.245 34.621 1.00 0.00 C ATOM 1221 OG SER B 24 106.321 -14.283 34.373 1.00 0.00 O ATOM 0 H SER B 24 102.458 -13.956 34.566 1.00 0.00 H new ATOM 0 HA SER B 24 104.578 -13.319 32.703 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.682 -13.397 35.262 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.615 -15.145 35.152 1.00 0.00 H new ATOM 0 HG SER B 24 106.802 -14.353 35.224 1.00 0.00 H new ATOM 1227 N ASP B 25 103.462 -16.400 32.777 1.00 0.00 N ATOM 1228 CA ASP B 25 103.571 -17.702 32.057 1.00 0.00 C ATOM 1229 C ASP B 25 103.430 -17.477 30.545 1.00 0.00 C ATOM 1230 O ASP B 25 104.202 -17.992 29.759 1.00 0.00 O ATOM 1231 CB ASP B 25 102.461 -18.633 32.552 1.00 0.00 C ATOM 1232 CG ASP B 25 102.670 -20.044 31.988 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.459 -20.184 31.070 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.032 -20.959 32.489 1.00 0.00 O ATOM 0 H ASP B 25 102.701 -16.338 33.453 1.00 0.00 H new ATOM 0 HA ASP B 25 104.544 -18.152 32.253 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.460 -18.664 33.642 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.489 -18.249 32.243 1.00 0.00 H new ATOM 1239 N PHE B 26 102.455 -16.704 30.138 1.00 0.00 N ATOM 1240 CA PHE B 26 102.246 -16.429 28.675 1.00 0.00 C ATOM 1241 C PHE B 26 102.614 -14.977 28.342 1.00 0.00 C ATOM 1242 O PHE B 26 102.471 -14.542 27.218 1.00 0.00 O ATOM 1243 CB PHE B 26 100.774 -16.688 28.331 1.00 0.00 C ATOM 1244 CG PHE B 26 100.458 -18.141 28.613 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.009 -18.522 29.884 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.627 -19.110 27.614 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.730 -19.867 30.156 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.343 -20.458 27.887 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.897 -20.836 29.156 1.00 0.00 C ATOM 0 H PHE B 26 101.787 -16.246 30.758 1.00 0.00 H new ATOM 0 HA PHE B 26 102.888 -17.086 28.087 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.128 -16.039 28.922 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.585 -16.457 27.283 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.878 -17.777 30.655 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.976 -18.820 26.634 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.386 -20.159 31.137 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.469 -21.203 27.115 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.681 -21.873 29.367 1.00 0.00 H new ATOM 1259 N ASN B 27 103.101 -14.227 29.299 1.00 0.00 N ATOM 1260 CA ASN B 27 103.481 -12.811 29.013 1.00 0.00 C ATOM 1261 C ASN B 27 102.279 -12.063 28.416 1.00 0.00 C ATOM 1262 O ASN B 27 102.394 -11.371 27.421 1.00 0.00 O ATOM 1263 CB ASN B 27 104.666 -12.782 28.035 1.00 0.00 C ATOM 1264 CG ASN B 27 105.851 -13.546 28.645 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.184 -13.353 29.796 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.510 -14.409 27.911 1.00 0.00 N ATOM 0 H ASN B 27 103.251 -14.532 30.261 1.00 0.00 H new ATOM 0 HA ASN B 27 103.776 -12.319 29.940 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.379 -13.233 27.085 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.953 -11.752 27.825 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.301 -14.917 28.307 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.232 -14.573 26.943 1.00 0.00 H new ATOM 1273 N LEU B 28 101.126 -12.192 29.032 1.00 0.00 N ATOM 1274 CA LEU B 28 99.895 -11.490 28.532 1.00 0.00 C ATOM 1275 C LEU B 28 99.520 -10.410 29.555 1.00 0.00 C ATOM 1276 O LEU B 28 99.812 -10.549 30.727 1.00 0.00 O ATOM 1277 CB LEU B 28 98.743 -12.507 28.410 1.00 0.00 C ATOM 1278 CG LEU B 28 99.101 -13.601 27.383 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.117 -14.764 27.507 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.018 -13.041 25.953 1.00 0.00 C ATOM 0 H LEU B 28 100.983 -12.759 29.868 1.00 0.00 H new ATOM 0 HA LEU B 28 100.078 -11.041 27.556 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.545 -12.961 29.381 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.829 -11.997 28.105 1.00 0.00 H new ATOM 0 HG LEU B 28 100.117 -13.942 27.583 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.372 -15.535 26.780 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.171 -15.181 28.513 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.105 -14.406 27.316 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.273 -13.825 25.240 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.005 -12.689 25.758 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.717 -12.211 25.846 1.00 0.00 H new ATOM 1292 N PRO B 29 98.891 -9.333 29.143 1.00 0.00 N ATOM 1293 CA PRO B 29 98.515 -8.254 30.095 1.00 0.00 C ATOM 1294 C PRO B 29 97.532 -8.763 31.173 1.00 0.00 C ATOM 1295 O PRO B 29 96.767 -9.677 30.929 1.00 0.00 O ATOM 1296 CB PRO B 29 97.872 -7.169 29.206 1.00 0.00 C ATOM 1297 CG PRO B 29 97.488 -7.861 27.936 1.00 0.00 C ATOM 1298 CD PRO B 29 98.480 -9.014 27.759 1.00 0.00 C ATOM 0 HA PRO B 29 99.373 -7.877 30.651 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.000 -6.731 29.692 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.572 -6.356 29.013 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.465 -8.233 27.990 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.534 -7.175 27.090 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.016 -9.871 27.271 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.332 -8.720 27.145 1.00 0.00 H new ATOM 1306 N PRO B 30 97.551 -8.180 32.352 1.00 0.00 N ATOM 1307 CA PRO B 30 96.643 -8.587 33.465 1.00 0.00 C ATOM 1308 C PRO B 30 95.219 -8.820 32.964 1.00 0.00 C ATOM 1309 O PRO B 30 94.525 -9.718 33.395 1.00 0.00 O ATOM 1310 CB PRO B 30 96.676 -7.388 34.434 1.00 0.00 C ATOM 1311 CG PRO B 30 97.955 -6.648 34.146 1.00 0.00 C ATOM 1312 CD PRO B 30 98.438 -7.072 32.749 1.00 0.00 C ATOM 0 HA PRO B 30 96.958 -9.522 33.929 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.811 -6.742 34.284 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.646 -7.724 35.470 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.790 -5.571 34.183 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.709 -6.881 34.898 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.374 -6.244 32.043 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.480 -7.391 32.773 1.00 0.00 H new ATOM 1320 N VAL B 31 94.782 -7.995 32.065 1.00 0.00 N ATOM 1321 CA VAL B 31 93.403 -8.122 31.532 1.00 0.00 C ATOM 1322 C VAL B 31 93.143 -9.548 31.077 1.00 0.00 C ATOM 1323 O VAL B 31 92.176 -10.167 31.474 1.00 0.00 O ATOM 1324 CB VAL B 31 93.259 -7.167 30.337 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.028 -7.518 29.479 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.111 -5.736 30.853 1.00 0.00 C ATOM 0 H VAL B 31 95.327 -7.228 31.671 1.00 0.00 H new ATOM 0 HA VAL B 31 92.683 -7.871 32.311 1.00 0.00 H new ATOM 0 HB VAL B 31 94.150 -7.264 29.716 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.957 -6.822 28.643 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.128 -8.534 29.098 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.127 -7.446 30.088 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.008 -5.054 30.009 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.226 -5.667 31.485 1.00 0.00 H new ATOM 0 HG23 VAL B 31 93.993 -5.465 31.433 1.00 0.00 H new ATOM 1336 N VAL B 32 93.975 -10.071 30.236 1.00 0.00 N ATOM 1337 CA VAL B 32 93.723 -11.451 29.753 1.00 0.00 C ATOM 1338 C VAL B 32 93.804 -12.434 30.911 1.00 0.00 C ATOM 1339 O VAL B 32 92.959 -13.291 31.073 1.00 0.00 O ATOM 1340 CB VAL B 32 94.748 -11.834 28.687 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.494 -13.275 28.241 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.600 -10.900 27.484 1.00 0.00 C ATOM 0 H VAL B 32 94.808 -9.614 29.864 1.00 0.00 H new ATOM 0 HA VAL B 32 92.724 -11.488 29.318 1.00 0.00 H new ATOM 0 HB VAL B 32 95.754 -11.747 29.096 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.223 -13.554 27.480 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.589 -13.943 29.097 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.489 -13.356 27.828 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.330 -11.171 26.721 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.595 -10.993 27.073 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.770 -9.871 27.800 1.00 0.00 H new ATOM 1352 N ALA B 33 94.818 -12.325 31.715 1.00 0.00 N ATOM 1353 CA ALA B 33 94.950 -13.264 32.855 1.00 0.00 C ATOM 1354 C ALA B 33 93.829 -13.017 33.864 1.00 0.00 C ATOM 1355 O ALA B 33 93.238 -13.944 34.384 1.00 0.00 O ATOM 1356 CB ALA B 33 96.305 -13.062 33.542 1.00 0.00 C ATOM 0 H ALA B 33 95.559 -11.629 31.633 1.00 0.00 H new ATOM 0 HA ALA B 33 94.882 -14.285 32.481 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.396 -13.755 34.379 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.107 -13.249 32.828 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.378 -12.038 33.909 1.00 0.00 H new ATOM 1362 N LYS B 34 93.527 -11.779 34.159 1.00 0.00 N ATOM 1363 CA LYS B 34 92.449 -11.513 35.147 1.00 0.00 C ATOM 1364 C LYS B 34 91.116 -12.049 34.634 1.00 0.00 C ATOM 1365 O LYS B 34 90.295 -12.517 35.397 1.00 0.00 O ATOM 1366 CB LYS B 34 92.330 -10.016 35.423 1.00 0.00 C ATOM 1367 CG LYS B 34 93.553 -9.530 36.209 1.00 0.00 C ATOM 1368 CD LYS B 34 93.531 -7.998 36.276 1.00 0.00 C ATOM 1369 CE LYS B 34 92.347 -7.518 37.130 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.123 -7.448 36.287 1.00 0.00 N ATOM 0 H LYS B 34 93.975 -10.953 33.763 1.00 0.00 H new ATOM 0 HA LYS B 34 92.705 -12.023 36.076 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.251 -9.470 34.483 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.420 -9.813 35.988 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.545 -9.950 37.215 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.469 -9.872 35.728 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.466 -7.632 36.700 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.454 -7.584 35.270 1.00 0.00 H new ATOM 0 HE2 LYS B 34 92.188 -8.200 37.965 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.565 -6.538 37.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 90.595 -6.580 36.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.393 -7.438 35.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 90.523 -8.277 36.476 1.00 0.00 H new ATOM 1384 N GLU B 35 90.876 -11.979 33.357 1.00 0.00 N ATOM 1385 CA GLU B 35 89.575 -12.480 32.835 1.00 0.00 C ATOM 1386 C GLU B 35 89.449 -13.975 33.113 1.00 0.00 C ATOM 1387 O GLU B 35 88.377 -14.472 33.406 1.00 0.00 O ATOM 1388 CB GLU B 35 89.490 -12.232 31.333 1.00 0.00 C ATOM 1389 CG GLU B 35 88.038 -12.409 30.860 1.00 0.00 C ATOM 1390 CD GLU B 35 87.685 -13.895 30.798 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.594 -14.697 30.672 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.510 -14.206 30.880 1.00 0.00 O ATOM 0 H GLU B 35 91.515 -11.601 32.658 1.00 0.00 H new ATOM 0 HA GLU B 35 88.764 -11.950 33.334 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.838 -11.226 31.101 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.143 -12.926 30.803 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.360 -11.894 31.541 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.909 -11.955 29.877 1.00 0.00 H new ATOM 1399 N ILE B 36 90.528 -14.699 33.026 1.00 0.00 N ATOM 1400 CA ILE B 36 90.445 -16.158 33.296 1.00 0.00 C ATOM 1401 C ILE B 36 89.961 -16.352 34.725 1.00 0.00 C ATOM 1402 O ILE B 36 89.153 -17.212 35.009 1.00 0.00 O ATOM 1403 CB ILE B 36 91.818 -16.806 33.120 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.273 -16.629 31.667 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.724 -18.297 33.464 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.686 -17.188 31.502 1.00 0.00 C ATOM 0 H ILE B 36 91.454 -14.348 32.782 1.00 0.00 H new ATOM 0 HA ILE B 36 89.753 -16.626 32.596 1.00 0.00 H new ATOM 0 HB ILE B 36 92.542 -16.333 33.784 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.586 -17.144 30.995 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.254 -15.574 31.395 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.702 -18.762 33.339 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.397 -18.412 34.497 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.006 -18.779 32.800 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.009 -17.062 30.469 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.368 -16.654 32.163 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.690 -18.248 31.756 1.00 0.00 H new ATOM 1418 N VAL B 37 90.437 -15.541 35.622 1.00 0.00 N ATOM 1419 CA VAL B 37 89.990 -15.652 37.033 1.00 0.00 C ATOM 1420 C VAL B 37 88.493 -15.357 37.097 1.00 0.00 C ATOM 1421 O VAL B 37 87.753 -15.988 37.821 1.00 0.00 O ATOM 1422 CB VAL B 37 90.749 -14.639 37.890 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.189 -14.651 39.314 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.235 -15.005 37.935 1.00 0.00 C ATOM 0 H VAL B 37 91.118 -14.804 35.438 1.00 0.00 H new ATOM 0 HA VAL B 37 90.187 -16.656 37.409 1.00 0.00 H new ATOM 0 HB VAL B 37 90.631 -13.647 37.454 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.731 -13.928 39.924 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.132 -14.387 39.291 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.305 -15.647 39.742 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.770 -14.279 38.547 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.352 -15.999 38.366 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.642 -14.997 36.924 1.00 0.00 H new ATOM 1434 N ALA B 38 88.047 -14.398 36.335 1.00 0.00 N ATOM 1435 CA ALA B 38 86.604 -14.048 36.338 1.00 0.00 C ATOM 1436 C ALA B 38 85.787 -15.268 35.903 1.00 0.00 C ATOM 1437 O ALA B 38 84.680 -15.481 36.354 1.00 0.00 O ATOM 1438 CB ALA B 38 86.375 -12.893 35.363 1.00 0.00 C ATOM 0 H ALA B 38 88.625 -13.840 35.707 1.00 0.00 H new ATOM 0 HA ALA B 38 86.292 -13.748 37.338 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.318 -12.627 35.356 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.964 -12.031 35.675 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.679 -13.197 34.361 1.00 0.00 H new ATOM 1444 N SER B 39 86.330 -16.074 35.031 1.00 0.00 N ATOM 1445 CA SER B 39 85.593 -17.283 34.561 1.00 0.00 C ATOM 1446 C SER B 39 85.644 -18.372 35.636 1.00 0.00 C ATOM 1447 O SER B 39 84.763 -19.202 35.738 1.00 0.00 O ATOM 1448 CB SER B 39 86.244 -17.804 33.279 1.00 0.00 C ATOM 1449 OG SER B 39 86.265 -16.764 32.305 1.00 0.00 O ATOM 0 H SER B 39 87.256 -15.947 34.622 1.00 0.00 H new ATOM 0 HA SER B 39 84.553 -17.019 34.366 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.258 -18.145 33.485 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.690 -18.662 32.899 1.00 0.00 H new ATOM 0 HG SER B 39 86.683 -17.094 31.483 1.00 0.00 H new ATOM 1455 N CYS B 40 86.666 -18.374 36.444 1.00 0.00 N ATOM 1456 CA CYS B 40 86.762 -19.403 37.518 1.00 0.00 C ATOM 1457 C CYS B 40 85.925 -18.956 38.720 1.00 0.00 C ATOM 1458 O CYS B 40 86.307 -18.073 39.459 1.00 0.00 O ATOM 1459 CB CYS B 40 88.216 -19.548 37.957 1.00 0.00 C ATOM 1460 SG CYS B 40 88.335 -20.792 39.263 1.00 0.00 S ATOM 0 H CYS B 40 87.439 -17.709 36.408 1.00 0.00 H new ATOM 0 HA CYS B 40 86.394 -20.357 37.140 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.835 -19.837 37.108 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.595 -18.591 38.317 1.00 0.00 H new ATOM 0 HG CYS B 40 89.250 -20.439 40.116 1.00 0.00 H new ATOM 1465 N ASP B 41 84.781 -19.553 38.911 1.00 0.00 N ATOM 1466 CA ASP B 41 83.915 -19.159 40.058 1.00 0.00 C ATOM 1467 C ASP B 41 84.638 -19.410 41.388 1.00 0.00 C ATOM 1468 O ASP B 41 84.382 -18.744 42.371 1.00 0.00 O ATOM 1469 CB ASP B 41 82.629 -19.979 40.037 1.00 0.00 C ATOM 1470 CG ASP B 41 81.777 -19.572 38.836 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.068 -18.538 38.255 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.850 -20.294 38.518 1.00 0.00 O ATOM 0 H ASP B 41 84.408 -20.297 38.322 1.00 0.00 H new ATOM 0 HA ASP B 41 83.685 -18.097 39.966 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.865 -21.042 39.984 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.071 -19.822 40.960 1.00 0.00 H new ATOM 1477 N LYS B 42 85.517 -20.381 41.438 1.00 0.00 N ATOM 1478 CA LYS B 42 86.225 -20.680 42.723 1.00 0.00 C ATOM 1479 C LYS B 42 87.213 -19.562 43.064 1.00 0.00 C ATOM 1480 O LYS B 42 87.353 -19.178 44.211 1.00 0.00 O ATOM 1481 CB LYS B 42 86.980 -22.012 42.603 1.00 0.00 C ATOM 1482 CG LYS B 42 85.991 -23.140 42.318 1.00 0.00 C ATOM 1483 CD LYS B 42 86.707 -24.485 42.406 1.00 0.00 C ATOM 1484 CE LYS B 42 85.708 -25.593 42.098 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.412 -26.902 42.059 1.00 0.00 N ATOM 0 H LYS B 42 85.774 -20.976 40.651 1.00 0.00 H new ATOM 0 HA LYS B 42 85.484 -20.750 43.519 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.718 -21.952 41.803 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.524 -22.217 43.525 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.170 -23.107 43.034 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.555 -23.013 41.327 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.537 -24.518 41.700 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.129 -24.623 43.401 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.925 -25.612 42.856 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.221 -25.402 41.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.729 -27.657 41.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.143 -26.881 41.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.857 -27.085 42.981 1.00 0.00 H new ATOM 1499 N CYS B 43 87.894 -19.033 42.085 1.00 0.00 N ATOM 1500 CA CYS B 43 88.872 -17.932 42.351 1.00 0.00 C ATOM 1501 C CYS B 43 88.165 -16.579 42.251 1.00 0.00 C ATOM 1502 O CYS B 43 88.674 -15.571 42.701 1.00 0.00 O ATOM 1503 CB CYS B 43 90.008 -17.996 41.326 1.00 0.00 C ATOM 1504 SG CYS B 43 90.984 -19.495 41.605 1.00 0.00 S ATOM 0 H CYS B 43 87.817 -19.315 41.108 1.00 0.00 H new ATOM 0 HA CYS B 43 89.283 -18.049 43.354 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.601 -17.997 40.315 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.642 -17.114 41.414 1.00 0.00 H new ATOM 0 HG CYS B 43 92.064 -19.451 40.882 1.00 0.00 H new ATOM 1509 N GLN B 44 87.001 -16.542 41.661 1.00 0.00 N ATOM 1510 CA GLN B 44 86.277 -15.240 41.527 1.00 0.00 C ATOM 1511 C GLN B 44 85.807 -14.750 42.905 1.00 0.00 C ATOM 1512 O GLN B 44 86.260 -13.734 43.393 1.00 0.00 O ATOM 1513 CB GLN B 44 85.061 -15.431 40.618 1.00 0.00 C ATOM 1514 CG GLN B 44 84.446 -14.070 40.294 1.00 0.00 C ATOM 1515 CD GLN B 44 83.207 -14.275 39.417 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.094 -14.072 39.863 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.353 -14.672 38.181 1.00 0.00 N ATOM 0 H GLN B 44 86.520 -17.351 41.267 1.00 0.00 H new ATOM 0 HA GLN B 44 86.952 -14.500 41.097 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.357 -15.936 39.699 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.324 -16.067 41.108 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.174 -13.552 41.214 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.172 -13.443 39.778 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.287 -14.842 37.807 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.533 -14.812 37.590 1.00 0.00 H new