USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 854 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 46 THR OG1 : rot 180:sc= -0.965 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.0036 X(o=-0.96,f=-0.97) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= 0.68 (180deg=0.321) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc=-0.00895 (180deg=-0.121) USER MOD Single : A 7 HIS : no HE2:sc= -1.06 X(o=-1.1,f=-1.4!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.775 K(o=-0.78,f=-4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -3:sc= 0.372 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= 0.716 (180deg=-0.293) USER MOD Single : A 40 SER OG : rot 35:sc= 0.0136 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -169:sc=-0.00841 (180deg=-0.123) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.427 K(o=-0.43,f=-6.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0985 X(o=-0.099,f=-0.12) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0.443 (180deg=0.443) USER MOD Single : A 86 MET CE :methyl -120:sc= -0.936 (180deg=-4.62!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.244 K(o=-0.24,f=-5.2!) USER MOD Single : A 92 THR OG1 : rot -21:sc= 0.685 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 134:sc= 0.323 USER MOD Single : A 103 SER OG : rot 47:sc= 0.137 USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= -0.022 (180deg=-0.193) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0.185 X(o=0.19,f=-0.0091) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -0.982 18.518 -4.078 1.00 53.44 N ATOM 43 CA LYS A 3 -1.448 17.411 -3.197 1.00 41.20 C ATOM 44 C LYS A 3 -1.229 17.684 -1.685 1.00 74.25 C ATOM 45 O LYS A 3 -0.724 18.735 -1.275 1.00 31.42 O ATOM 46 CB LYS A 3 -0.782 16.059 -3.603 1.00 4.11 C ATOM 47 CG LYS A 3 -1.165 15.537 -5.004 1.00 13.05 C ATOM 48 CD LYS A 3 -2.640 15.106 -5.085 1.00 52.14 C ATOM 49 CE LYS A 3 -2.949 14.257 -6.319 1.00 34.42 C ATOM 50 NZ LYS A 3 -2.254 12.946 -6.271 1.00 32.33 N ATOM 0 HA LYS A 3 -2.526 17.346 -3.347 1.00 41.20 H new ATOM 0 HB2 LYS A 3 0.301 16.177 -3.560 1.00 4.11 H new ATOM 0 HB3 LYS A 3 -1.050 15.303 -2.865 1.00 4.11 H new ATOM 0 HG2 LYS A 3 -0.975 16.315 -5.743 1.00 13.05 H new ATOM 0 HG3 LYS A 3 -0.527 14.691 -5.261 1.00 13.05 H new ATOM 0 HD2 LYS A 3 -2.897 14.541 -4.189 1.00 52.14 H new ATOM 0 HD3 LYS A 3 -3.272 15.994 -5.095 1.00 52.14 H new ATOM 0 HE2 LYS A 3 -4.025 14.096 -6.390 1.00 34.42 H new ATOM 0 HE3 LYS A 3 -2.647 14.796 -7.217 1.00 34.42 H new ATOM 0 HZ1 LYS A 3 -2.695 12.294 -6.951 1.00 32.33 H new ATOM 0 HZ2 LYS A 3 -1.252 13.075 -6.516 1.00 32.33 H new ATOM 0 HZ3 LYS A 3 -2.328 12.549 -5.313 1.00 32.33 H new ATOM 64 N GLU A 4 -1.668 16.726 -0.867 1.00 31.41 N ATOM 65 CA GLU A 4 -1.320 16.656 0.560 1.00 22.02 C ATOM 66 C GLU A 4 -0.843 15.232 0.877 1.00 2.32 C ATOM 67 O GLU A 4 -1.580 14.261 0.661 1.00 21.32 O ATOM 68 CB GLU A 4 -2.530 17.037 1.451 1.00 1.24 C ATOM 69 CG GLU A 4 -2.273 16.931 2.974 1.00 41.04 C ATOM 70 CD GLU A 4 -3.492 17.336 3.832 1.00 22.10 C ATOM 71 OE1 GLU A 4 -4.544 16.655 3.753 1.00 52.03 O ATOM 72 OE2 GLU A 4 -3.405 18.320 4.596 1.00 44.13 O ATOM 0 H GLU A 4 -2.280 15.970 -1.175 1.00 31.41 H new ATOM 0 HA GLU A 4 -0.525 17.370 0.773 1.00 22.02 H new ATOM 0 HB2 GLU A 4 -2.828 18.059 1.217 1.00 1.24 H new ATOM 0 HB3 GLU A 4 -3.371 16.393 1.193 1.00 1.24 H new ATOM 0 HG2 GLU A 4 -1.992 15.906 3.217 1.00 41.04 H new ATOM 0 HG3 GLU A 4 -1.426 17.565 3.237 1.00 41.04 H new ATOM 79 N LYS A 5 0.402 15.116 1.350 1.00 14.15 N ATOM 80 CA LYS A 5 0.974 13.837 1.777 1.00 31.52 C ATOM 81 C LYS A 5 0.339 13.431 3.129 1.00 63.23 C ATOM 82 O LYS A 5 0.348 14.207 4.096 1.00 73.42 O ATOM 83 CB LYS A 5 2.527 13.957 1.853 1.00 4.43 C ATOM 84 CG LYS A 5 3.305 12.627 2.044 1.00 43.11 C ATOM 85 CD LYS A 5 3.359 12.119 3.507 1.00 10.43 C ATOM 86 CE LYS A 5 4.182 13.029 4.433 1.00 53.43 C ATOM 87 NZ LYS A 5 5.610 13.097 4.019 1.00 64.15 N ATOM 0 H LYS A 5 1.040 15.906 1.447 1.00 14.15 H new ATOM 0 HA LYS A 5 0.751 13.051 1.056 1.00 31.52 H new ATOM 0 HB2 LYS A 5 2.880 14.433 0.938 1.00 4.43 H new ATOM 0 HB3 LYS A 5 2.780 14.624 2.677 1.00 4.43 H new ATOM 0 HG2 LYS A 5 2.844 11.859 1.423 1.00 43.11 H new ATOM 0 HG3 LYS A 5 4.324 12.762 1.682 1.00 43.11 H new ATOM 0 HD2 LYS A 5 2.344 12.039 3.895 1.00 10.43 H new ATOM 0 HD3 LYS A 5 3.785 11.116 3.521 1.00 10.43 H new ATOM 0 HE2 LYS A 5 3.755 14.032 4.430 1.00 53.43 H new ATOM 0 HE3 LYS A 5 4.118 12.659 5.456 1.00 53.43 H new ATOM 0 HZ1 LYS A 5 6.163 13.578 4.757 1.00 64.15 H new ATOM 0 HZ2 LYS A 5 5.978 12.134 3.883 1.00 64.15 H new ATOM 0 HZ3 LYS A 5 5.688 13.627 3.128 1.00 64.15 H new ATOM 101 N ILE A 6 -0.196 12.205 3.179 1.00 42.13 N ATOM 102 CA ILE A 6 -0.925 11.664 4.345 1.00 2.43 C ATOM 103 C ILE A 6 -0.505 10.187 4.564 1.00 63.42 C ATOM 104 O ILE A 6 -0.495 9.384 3.626 1.00 65.21 O ATOM 105 CB ILE A 6 -2.505 11.785 4.180 1.00 4.51 C ATOM 106 CG1 ILE A 6 -3.002 11.002 2.917 1.00 41.03 C ATOM 107 CG2 ILE A 6 -2.962 13.269 4.145 1.00 13.03 C ATOM 108 CD1 ILE A 6 -4.473 11.177 2.557 1.00 41.54 C ATOM 0 H ILE A 6 -0.137 11.547 2.402 1.00 42.13 H new ATOM 0 HA ILE A 6 -0.660 12.258 5.220 1.00 2.43 H new ATOM 0 HB ILE A 6 -2.964 11.326 5.056 1.00 4.51 H new ATOM 0 HG12 ILE A 6 -2.400 11.311 2.062 1.00 41.03 H new ATOM 0 HG13 ILE A 6 -2.811 9.940 3.074 1.00 41.03 H new ATOM 0 HG21 ILE A 6 -4.045 13.314 4.032 1.00 13.03 H new ATOM 0 HG22 ILE A 6 -2.674 13.760 5.074 1.00 13.03 H new ATOM 0 HG23 ILE A 6 -2.488 13.776 3.305 1.00 13.03 H new ATOM 0 HD11 ILE A 6 -4.702 10.590 1.668 1.00 41.54 H new ATOM 0 HD12 ILE A 6 -5.093 10.837 3.386 1.00 41.54 H new ATOM 0 HD13 ILE A 6 -4.676 12.229 2.359 1.00 41.54 H new ATOM 120 N HIS A 7 -0.086 9.857 5.791 1.00 70.12 N ATOM 121 CA HIS A 7 0.251 8.468 6.178 1.00 53.14 C ATOM 122 C HIS A 7 -0.850 7.878 7.088 1.00 5.53 C ATOM 123 O HIS A 7 -1.040 8.314 8.230 1.00 14.54 O ATOM 124 CB HIS A 7 1.684 8.364 6.800 1.00 4.34 C ATOM 125 CG HIS A 7 2.037 9.290 7.950 1.00 65.33 C ATOM 126 ND1 HIS A 7 3.123 9.060 8.779 1.00 3.04 N ATOM 127 CD2 HIS A 7 1.508 10.461 8.376 1.00 75.31 C ATOM 128 CE1 HIS A 7 3.237 10.039 9.649 1.00 5.24 C ATOM 129 NE2 HIS A 7 2.272 10.902 9.425 1.00 63.24 N ATOM 0 H HIS A 7 0.031 10.535 6.544 1.00 70.12 H new ATOM 0 HA HIS A 7 0.282 7.858 5.275 1.00 53.14 H new ATOM 0 HB2 HIS A 7 1.824 7.339 7.143 1.00 4.34 H new ATOM 0 HB3 HIS A 7 2.406 8.534 6.002 1.00 4.34 H new ATOM 0 HD1 HIS A 7 3.742 8.251 8.723 1.00 3.04 H new ATOM 0 HD2 HIS A 7 0.642 10.957 7.964 1.00 75.31 H new ATOM 0 HE1 HIS A 7 3.993 10.120 10.416 1.00 5.24 H new ATOM 138 N LEU A 8 -1.586 6.877 6.552 1.00 30.12 N ATOM 139 CA LEU A 8 -2.770 6.295 7.210 1.00 10.51 C ATOM 140 C LEU A 8 -2.371 4.987 7.932 1.00 11.35 C ATOM 141 O LEU A 8 -2.017 3.997 7.294 1.00 71.14 O ATOM 142 CB LEU A 8 -3.911 5.997 6.183 1.00 43.11 C ATOM 143 CG LEU A 8 -4.491 7.199 5.359 1.00 12.40 C ATOM 144 CD1 LEU A 8 -4.822 8.408 6.260 1.00 32.15 C ATOM 145 CD2 LEU A 8 -3.570 7.586 4.182 1.00 34.25 C ATOM 0 H LEU A 8 -1.372 6.452 5.650 1.00 30.12 H new ATOM 0 HA LEU A 8 -3.145 7.022 7.930 1.00 10.51 H new ATOM 0 HB2 LEU A 8 -3.539 5.256 5.476 1.00 43.11 H new ATOM 0 HB3 LEU A 8 -4.736 5.534 6.725 1.00 43.11 H new ATOM 0 HG LEU A 8 -5.433 6.864 4.925 1.00 12.40 H new ATOM 0 HD11 LEU A 8 -5.221 9.218 5.650 1.00 32.15 H new ATOM 0 HD12 LEU A 8 -5.563 8.115 7.004 1.00 32.15 H new ATOM 0 HD13 LEU A 8 -3.916 8.745 6.764 1.00 32.15 H new ATOM 0 HD21 LEU A 8 -4.008 8.422 3.637 1.00 34.25 H new ATOM 0 HD22 LEU A 8 -2.592 7.875 4.566 1.00 34.25 H new ATOM 0 HD23 LEU A 8 -3.459 6.734 3.511 1.00 34.25 H new ATOM 157 N GLU A 9 -2.470 4.997 9.265 1.00 44.41 N ATOM 158 CA GLU A 9 -2.015 3.899 10.145 1.00 20.12 C ATOM 159 C GLU A 9 -3.186 2.960 10.536 1.00 53.10 C ATOM 160 O GLU A 9 -4.228 3.409 11.011 1.00 51.45 O ATOM 161 CB GLU A 9 -1.375 4.536 11.400 1.00 2.23 C ATOM 162 CG GLU A 9 -0.883 3.554 12.469 1.00 63.42 C ATOM 163 CD GLU A 9 -0.323 4.278 13.707 1.00 71.44 C ATOM 164 OE1 GLU A 9 -1.119 4.681 14.581 1.00 10.32 O ATOM 165 OE2 GLU A 9 0.907 4.486 13.793 1.00 52.12 O ATOM 0 H GLU A 9 -2.875 5.780 9.779 1.00 44.41 H new ATOM 0 HA GLU A 9 -1.287 3.282 9.619 1.00 20.12 H new ATOM 0 HB2 GLU A 9 -0.533 5.151 11.083 1.00 2.23 H new ATOM 0 HB3 GLU A 9 -2.104 5.205 11.856 1.00 2.23 H new ATOM 0 HG2 GLU A 9 -1.705 2.905 12.770 1.00 63.42 H new ATOM 0 HG3 GLU A 9 -0.110 2.913 12.044 1.00 63.42 H new ATOM 172 N TYR A 10 -2.988 1.643 10.365 1.00 34.24 N ATOM 173 CA TYR A 10 -4.046 0.621 10.558 1.00 4.23 C ATOM 174 C TYR A 10 -3.572 -0.500 11.510 1.00 1.44 C ATOM 175 O TYR A 10 -2.408 -0.899 11.475 1.00 31.13 O ATOM 176 CB TYR A 10 -4.452 0.023 9.179 1.00 64.03 C ATOM 177 CG TYR A 10 -5.017 1.059 8.190 1.00 25.11 C ATOM 178 CD1 TYR A 10 -6.237 1.703 8.443 1.00 22.11 C ATOM 179 CD2 TYR A 10 -4.341 1.395 7.010 1.00 31.11 C ATOM 180 CE1 TYR A 10 -6.754 2.637 7.564 1.00 23.15 C ATOM 181 CE2 TYR A 10 -4.856 2.330 6.127 1.00 63.14 C ATOM 182 CZ TYR A 10 -6.067 2.948 6.408 1.00 55.21 C ATOM 183 OH TYR A 10 -6.586 3.884 5.534 1.00 24.41 O ATOM 0 H TYR A 10 -2.089 1.249 10.088 1.00 34.24 H new ATOM 0 HA TYR A 10 -4.912 1.101 11.014 1.00 4.23 H new ATOM 0 HB2 TYR A 10 -3.581 -0.455 8.731 1.00 64.03 H new ATOM 0 HB3 TYR A 10 -5.197 -0.757 9.338 1.00 64.03 H new ATOM 0 HD1 TYR A 10 -6.784 1.464 9.343 1.00 22.11 H new ATOM 0 HD2 TYR A 10 -3.400 0.916 6.784 1.00 31.11 H new ATOM 0 HE1 TYR A 10 -7.694 3.122 7.782 1.00 23.15 H new ATOM 0 HE2 TYR A 10 -4.318 2.577 5.224 1.00 63.14 H new ATOM 0 HH TYR A 10 -5.981 3.989 4.770 1.00 24.41 H new ATOM 193 N LEU A 11 -4.491 -1.005 12.352 1.00 31.41 N ATOM 194 CA LEU A 11 -4.204 -2.112 13.293 1.00 62.32 C ATOM 195 C LEU A 11 -4.638 -3.473 12.684 1.00 73.41 C ATOM 196 O LEU A 11 -5.829 -3.788 12.587 1.00 72.30 O ATOM 197 CB LEU A 11 -4.865 -1.873 14.703 1.00 42.51 C ATOM 198 CG LEU A 11 -6.439 -1.751 14.793 1.00 23.31 C ATOM 199 CD1 LEU A 11 -6.938 -1.935 16.243 1.00 42.03 C ATOM 200 CD2 LEU A 11 -6.962 -0.411 14.219 1.00 14.43 C ATOM 0 H LEU A 11 -5.450 -0.662 12.403 1.00 31.41 H new ATOM 0 HA LEU A 11 -3.126 -2.139 13.453 1.00 62.32 H new ATOM 0 HB2 LEU A 11 -4.559 -2.692 15.354 1.00 42.51 H new ATOM 0 HB3 LEU A 11 -4.438 -0.960 15.117 1.00 42.51 H new ATOM 0 HG LEU A 11 -6.842 -2.556 14.178 1.00 23.31 H new ATOM 0 HD11 LEU A 11 -8.024 -1.845 16.268 1.00 42.03 H new ATOM 0 HD12 LEU A 11 -6.647 -2.921 16.606 1.00 42.03 H new ATOM 0 HD13 LEU A 11 -6.496 -1.169 16.880 1.00 42.03 H new ATOM 0 HD21 LEU A 11 -8.048 -0.378 14.305 1.00 14.43 H new ATOM 0 HD22 LEU A 11 -6.528 0.418 14.778 1.00 14.43 H new ATOM 0 HD23 LEU A 11 -6.678 -0.329 13.170 1.00 14.43 H new ATOM 212 N LEU A 12 -3.653 -4.253 12.207 1.00 45.14 N ATOM 213 CA LEU A 12 -3.885 -5.628 11.706 1.00 64.35 C ATOM 214 C LEU A 12 -3.657 -6.628 12.847 1.00 24.44 C ATOM 215 O LEU A 12 -2.535 -6.793 13.327 1.00 62.30 O ATOM 216 CB LEU A 12 -2.985 -5.920 10.467 1.00 3.53 C ATOM 217 CG LEU A 12 -3.524 -5.382 9.101 1.00 71.12 C ATOM 218 CD1 LEU A 12 -4.843 -6.083 8.715 1.00 60.53 C ATOM 219 CD2 LEU A 12 -3.693 -3.848 9.112 1.00 21.33 C ATOM 0 H LEU A 12 -2.679 -3.955 12.156 1.00 45.14 H new ATOM 0 HA LEU A 12 -4.917 -5.732 11.370 1.00 64.35 H new ATOM 0 HB2 LEU A 12 -2.001 -5.487 10.645 1.00 3.53 H new ATOM 0 HB3 LEU A 12 -2.849 -6.998 10.385 1.00 3.53 H new ATOM 0 HG LEU A 12 -2.778 -5.617 8.342 1.00 71.12 H new ATOM 0 HD11 LEU A 12 -5.198 -5.692 7.761 1.00 60.53 H new ATOM 0 HD12 LEU A 12 -4.672 -7.156 8.626 1.00 60.53 H new ATOM 0 HD13 LEU A 12 -5.592 -5.898 9.485 1.00 60.53 H new ATOM 0 HD21 LEU A 12 -4.069 -3.516 8.144 1.00 21.33 H new ATOM 0 HD22 LEU A 12 -4.400 -3.565 9.892 1.00 21.33 H new ATOM 0 HD23 LEU A 12 -2.730 -3.377 9.307 1.00 21.33 H new ATOM 231 N ASN A 13 -4.734 -7.318 13.251 1.00 32.32 N ATOM 232 CA ASN A 13 -4.793 -8.005 14.555 1.00 75.22 C ATOM 233 C ASN A 13 -4.149 -9.418 14.501 1.00 21.31 C ATOM 234 O ASN A 13 -4.633 -10.296 13.787 1.00 12.10 O ATOM 235 CB ASN A 13 -6.270 -8.082 15.044 1.00 11.41 C ATOM 236 CG ASN A 13 -6.476 -8.300 16.567 1.00 23.34 C ATOM 237 OD1 ASN A 13 -5.558 -8.952 17.263 1.00 33.30 O flip ATOM 238 ND2 ASN A 13 -7.472 -7.856 17.122 1.00 51.22 N flip ATOM 0 H ASN A 13 -5.581 -7.417 12.692 1.00 32.32 H new ATOM 0 HA ASN A 13 -4.210 -7.423 15.269 1.00 75.22 H new ATOM 0 HB2 ASN A 13 -6.774 -7.159 14.759 1.00 11.41 H new ATOM 0 HB3 ASN A 13 -6.766 -8.894 14.511 1.00 11.41 H new ATOM 0 HD21 ASN A 13 -8.176 -7.354 16.581 1.00 51.22 H new ATOM 0 HD22 ASN A 13 -7.598 -7.988 18.126 1.00 51.22 H new ATOM 280 N LYS A 17 0.226 -10.782 9.118 1.00 13.10 N ATOM 281 CA LYS A 17 1.673 -10.424 9.126 1.00 14.45 C ATOM 282 C LYS A 17 2.107 -9.636 7.861 1.00 43.21 C ATOM 283 O LYS A 17 1.274 -9.168 7.092 1.00 21.33 O ATOM 284 CB LYS A 17 2.536 -11.705 9.302 1.00 23.41 C ATOM 285 CG LYS A 17 2.303 -12.437 10.639 1.00 4.23 C ATOM 286 CD LYS A 17 3.346 -13.546 10.899 1.00 65.23 C ATOM 287 CE LYS A 17 3.107 -14.275 12.235 1.00 14.14 C ATOM 288 NZ LYS A 17 4.197 -15.225 12.558 1.00 33.41 N ATOM 0 HA LYS A 17 1.836 -9.757 9.973 1.00 14.45 H new ATOM 0 HB2 LYS A 17 2.323 -12.390 8.482 1.00 23.41 H new ATOM 0 HB3 LYS A 17 3.589 -11.435 9.226 1.00 23.41 H new ATOM 0 HG2 LYS A 17 2.335 -11.715 11.455 1.00 4.23 H new ATOM 0 HG3 LYS A 17 1.305 -12.875 10.640 1.00 4.23 H new ATOM 0 HD2 LYS A 17 3.315 -14.268 10.083 1.00 65.23 H new ATOM 0 HD3 LYS A 17 4.345 -13.109 10.900 1.00 65.23 H new ATOM 0 HE2 LYS A 17 3.018 -13.541 13.036 1.00 14.14 H new ATOM 0 HE3 LYS A 17 2.160 -14.813 12.189 1.00 14.14 H new ATOM 0 HZ1 LYS A 17 3.993 -15.692 13.465 1.00 33.41 H new ATOM 0 HZ2 LYS A 17 4.267 -15.942 11.808 1.00 33.41 H new ATOM 0 HZ3 LYS A 17 5.097 -14.709 12.629 1.00 33.41 H new ATOM 302 N ASN A 18 3.436 -9.495 7.672 1.00 42.13 N ATOM 303 CA ASN A 18 4.057 -8.697 6.575 1.00 45.10 C ATOM 304 C ASN A 18 3.602 -9.110 5.144 1.00 12.32 C ATOM 305 O ASN A 18 3.527 -8.271 4.242 1.00 53.05 O ATOM 306 CB ASN A 18 5.601 -8.782 6.697 1.00 35.53 C ATOM 307 CG ASN A 18 6.191 -10.183 6.487 1.00 31.00 C ATOM 308 OD1 ASN A 18 5.568 -11.192 6.801 1.00 75.40 O ATOM 309 ND2 ASN A 18 7.402 -10.247 5.961 1.00 52.11 N ATOM 0 H ASN A 18 4.124 -9.936 8.282 1.00 42.13 H new ATOM 0 HA ASN A 18 3.712 -7.671 6.701 1.00 45.10 H new ATOM 0 HB2 ASN A 18 6.046 -8.104 5.969 1.00 35.53 H new ATOM 0 HB3 ASN A 18 5.893 -8.425 7.685 1.00 35.53 H new ATOM 0 HD21 ASN A 18 7.843 -11.153 5.806 1.00 52.11 H new ATOM 0 HD22 ASN A 18 7.895 -9.390 5.710 1.00 52.11 H new ATOM 316 N ILE A 19 3.279 -10.396 4.985 1.00 55.45 N ATOM 317 CA ILE A 19 2.926 -11.045 3.691 1.00 33.43 C ATOM 318 C ILE A 19 1.697 -10.391 2.982 1.00 2.33 C ATOM 319 O ILE A 19 1.564 -10.487 1.750 1.00 2.34 O ATOM 320 CB ILE A 19 2.686 -12.579 3.968 1.00 33.54 C ATOM 321 CG1 ILE A 19 3.969 -13.201 4.627 1.00 3.52 C ATOM 322 CG2 ILE A 19 2.275 -13.368 2.696 1.00 33.43 C ATOM 323 CD1 ILE A 19 3.760 -14.535 5.304 1.00 55.53 C ATOM 0 H ILE A 19 3.251 -11.047 5.770 1.00 55.45 H new ATOM 0 HA ILE A 19 3.753 -10.905 2.995 1.00 33.43 H new ATOM 0 HB ILE A 19 1.844 -12.661 4.656 1.00 33.54 H new ATOM 0 HG12 ILE A 19 4.733 -13.317 3.858 1.00 3.52 H new ATOM 0 HG13 ILE A 19 4.360 -12.496 5.361 1.00 3.52 H new ATOM 0 HG21 ILE A 19 2.124 -14.417 2.951 1.00 33.43 H new ATOM 0 HG22 ILE A 19 1.349 -12.955 2.295 1.00 33.43 H new ATOM 0 HG23 ILE A 19 3.063 -13.286 1.947 1.00 33.43 H new ATOM 0 HD11 ILE A 19 4.703 -14.880 5.727 1.00 55.53 H new ATOM 0 HD12 ILE A 19 3.023 -14.428 6.100 1.00 55.53 H new ATOM 0 HD13 ILE A 19 3.403 -15.261 4.574 1.00 55.53 H new ATOM 335 N LEU A 20 0.833 -9.710 3.779 1.00 73.34 N ATOM 336 CA LEU A 20 -0.342 -8.932 3.278 1.00 20.12 C ATOM 337 C LEU A 20 0.016 -8.047 2.052 1.00 43.01 C ATOM 338 O LEU A 20 -0.485 -8.251 0.941 1.00 33.50 O ATOM 339 CB LEU A 20 -0.869 -7.998 4.410 1.00 4.04 C ATOM 340 CG LEU A 20 -1.434 -8.681 5.688 1.00 52.24 C ATOM 341 CD1 LEU A 20 -1.675 -7.635 6.798 1.00 61.15 C ATOM 342 CD2 LEU A 20 -2.711 -9.484 5.379 1.00 11.13 C ATOM 0 H LEU A 20 0.928 -9.682 4.794 1.00 73.34 H new ATOM 0 HA LEU A 20 -1.099 -9.656 2.975 1.00 20.12 H new ATOM 0 HB2 LEU A 20 -0.055 -7.339 4.711 1.00 4.04 H new ATOM 0 HB3 LEU A 20 -1.652 -7.366 3.990 1.00 4.04 H new ATOM 0 HG LEU A 20 -0.691 -9.392 6.050 1.00 52.24 H new ATOM 0 HD11 LEU A 20 -2.070 -8.130 7.685 1.00 61.15 H new ATOM 0 HD12 LEU A 20 -0.734 -7.144 7.046 1.00 61.15 H new ATOM 0 HD13 LEU A 20 -2.391 -6.891 6.448 1.00 61.15 H new ATOM 0 HD21 LEU A 20 -3.079 -9.948 6.294 1.00 11.13 H new ATOM 0 HD22 LEU A 20 -3.473 -8.815 4.979 1.00 11.13 H new ATOM 0 HD23 LEU A 20 -2.486 -10.258 4.645 1.00 11.13 H new ATOM 354 N TRP A 21 0.908 -7.073 2.293 1.00 74.15 N ATOM 355 CA TRP A 21 1.365 -6.114 1.273 1.00 14.11 C ATOM 356 C TRP A 21 2.729 -6.495 0.682 1.00 44.02 C ATOM 357 O TRP A 21 3.082 -5.990 -0.367 1.00 43.15 O ATOM 358 CB TRP A 21 1.405 -4.690 1.863 1.00 25.32 C ATOM 359 CG TRP A 21 0.036 -4.069 2.026 1.00 61.32 C ATOM 360 CD1 TRP A 21 -0.816 -4.187 3.088 1.00 43.51 C ATOM 361 CD2 TRP A 21 -0.633 -3.225 1.074 1.00 24.53 C ATOM 362 NE1 TRP A 21 -1.956 -3.458 2.860 1.00 5.30 N ATOM 363 CE2 TRP A 21 -1.867 -2.860 1.631 1.00 33.31 C ATOM 364 CE3 TRP A 21 -0.292 -2.743 -0.196 1.00 25.32 C ATOM 365 CZ2 TRP A 21 -2.769 -2.032 0.966 1.00 31.45 C ATOM 366 CZ3 TRP A 21 -1.184 -1.919 -0.856 1.00 23.10 C ATOM 367 CH2 TRP A 21 -2.411 -1.570 -0.275 1.00 63.33 C ATOM 0 H TRP A 21 1.336 -6.927 3.207 1.00 74.15 H new ATOM 0 HA TRP A 21 0.647 -6.143 0.453 1.00 14.11 H new ATOM 0 HB2 TRP A 21 1.900 -4.721 2.834 1.00 25.32 H new ATOM 0 HB3 TRP A 21 2.010 -4.054 1.217 1.00 25.32 H new ATOM 0 HD1 TRP A 21 -0.621 -4.769 3.977 1.00 43.51 H new ATOM 0 HE1 TRP A 21 -2.744 -3.375 3.503 1.00 5.30 H new ATOM 0 HE3 TRP A 21 0.650 -3.010 -0.651 1.00 25.32 H new ATOM 0 HZ2 TRP A 21 -3.716 -1.764 1.411 1.00 31.45 H new ATOM 0 HZ3 TRP A 21 -0.932 -1.538 -1.835 1.00 23.10 H new ATOM 0 HH2 TRP A 21 -3.088 -0.925 -0.815 1.00 63.33 H new ATOM 378 N SER A 22 3.492 -7.393 1.342 1.00 44.12 N ATOM 379 CA SER A 22 4.802 -7.888 0.800 1.00 63.42 C ATOM 380 C SER A 22 4.638 -8.596 -0.578 1.00 53.01 C ATOM 381 O SER A 22 5.611 -8.778 -1.320 1.00 34.22 O ATOM 382 CB SER A 22 5.497 -8.828 1.812 1.00 32.43 C ATOM 383 OG SER A 22 6.755 -9.288 1.342 1.00 42.22 O ATOM 0 H SER A 22 3.237 -7.795 2.244 1.00 44.12 H new ATOM 0 HA SER A 22 5.433 -7.013 0.644 1.00 63.42 H new ATOM 0 HB2 SER A 22 5.634 -8.303 2.757 1.00 32.43 H new ATOM 0 HB3 SER A 22 4.852 -9.683 2.013 1.00 32.43 H new ATOM 0 HG SER A 22 7.159 -9.877 2.013 1.00 42.22 H new ATOM 389 N ALA A 23 3.386 -8.985 -0.895 1.00 71.11 N ATOM 390 CA ALA A 23 2.992 -9.528 -2.214 1.00 34.20 C ATOM 391 C ALA A 23 3.371 -8.588 -3.394 1.00 13.11 C ATOM 392 O ALA A 23 3.763 -9.061 -4.461 1.00 44.35 O ATOM 393 CB ALA A 23 1.480 -9.788 -2.220 1.00 12.24 C ATOM 0 H ALA A 23 2.610 -8.931 -0.235 1.00 71.11 H new ATOM 0 HA ALA A 23 3.543 -10.457 -2.363 1.00 34.20 H new ATOM 0 HB1 ALA A 23 1.183 -10.188 -3.190 1.00 12.24 H new ATOM 0 HB2 ALA A 23 1.231 -10.507 -1.439 1.00 12.24 H new ATOM 0 HB3 ALA A 23 0.949 -8.854 -2.036 1.00 12.24 H new ATOM 399 N ILE A 24 3.266 -7.256 -3.178 1.00 54.31 N ATOM 400 CA ILE A 24 3.536 -6.239 -4.238 1.00 73.54 C ATOM 401 C ILE A 24 5.038 -6.168 -4.617 1.00 11.33 C ATOM 402 O ILE A 24 5.388 -5.708 -5.705 1.00 11.21 O ATOM 403 CB ILE A 24 2.994 -4.809 -3.837 1.00 62.04 C ATOM 404 CG1 ILE A 24 3.831 -4.191 -2.666 1.00 11.22 C ATOM 405 CG2 ILE A 24 1.487 -4.887 -3.487 1.00 71.13 C ATOM 406 CD1 ILE A 24 3.223 -2.977 -1.978 1.00 62.12 C ATOM 0 H ILE A 24 2.996 -6.854 -2.280 1.00 54.31 H new ATOM 0 HA ILE A 24 2.989 -6.570 -5.121 1.00 73.54 H new ATOM 0 HB ILE A 24 3.108 -4.143 -4.692 1.00 62.04 H new ATOM 0 HG12 ILE A 24 3.995 -4.965 -1.916 1.00 11.22 H new ATOM 0 HG13 ILE A 24 4.810 -3.911 -3.054 1.00 11.22 H new ATOM 0 HG21 ILE A 24 1.125 -3.896 -3.212 1.00 71.13 H new ATOM 0 HG22 ILE A 24 0.931 -5.250 -4.352 1.00 71.13 H new ATOM 0 HG23 ILE A 24 1.343 -5.570 -2.650 1.00 71.13 H new ATOM 0 HD11 ILE A 24 3.889 -2.636 -1.186 1.00 62.12 H new ATOM 0 HD12 ILE A 24 3.086 -2.177 -2.706 1.00 62.12 H new ATOM 0 HD13 ILE A 24 2.258 -3.247 -1.549 1.00 62.12 H new ATOM 418 N SER A 25 5.915 -6.637 -3.708 1.00 43.22 N ATOM 419 CA SER A 25 7.370 -6.752 -3.975 1.00 42.13 C ATOM 420 C SER A 25 7.667 -7.815 -5.060 1.00 55.34 C ATOM 421 O SER A 25 8.619 -7.677 -5.835 1.00 31.31 O ATOM 422 CB SER A 25 8.126 -7.113 -2.678 1.00 24.41 C ATOM 423 OG SER A 25 9.521 -7.278 -2.904 1.00 33.44 O ATOM 0 H SER A 25 5.642 -6.945 -2.775 1.00 43.22 H new ATOM 0 HA SER A 25 7.713 -5.784 -4.341 1.00 42.13 H new ATOM 0 HB2 SER A 25 7.969 -6.330 -1.936 1.00 24.41 H new ATOM 0 HB3 SER A 25 7.715 -8.033 -2.262 1.00 24.41 H new ATOM 0 HG SER A 25 9.965 -7.504 -2.060 1.00 33.44 H new ATOM 429 N THR A 26 6.855 -8.891 -5.087 1.00 62.51 N ATOM 430 CA THR A 26 7.003 -9.988 -6.074 1.00 14.31 C ATOM 431 C THR A 26 6.015 -9.836 -7.249 1.00 14.14 C ATOM 432 O THR A 26 4.889 -9.372 -7.049 1.00 42.12 O ATOM 433 CB THR A 26 6.792 -11.402 -5.432 1.00 43.43 C ATOM 434 OG1 THR A 26 5.493 -11.493 -4.811 1.00 21.33 O ATOM 435 CG2 THR A 26 7.890 -11.728 -4.405 1.00 25.11 C ATOM 0 H THR A 26 6.084 -9.027 -4.433 1.00 62.51 H new ATOM 0 HA THR A 26 8.027 -9.913 -6.441 1.00 14.31 H new ATOM 0 HB THR A 26 6.853 -12.135 -6.236 1.00 43.43 H new ATOM 0 HG1 THR A 26 5.035 -10.630 -4.883 1.00 21.33 H new ATOM 0 HG21 THR A 26 7.710 -12.716 -3.981 1.00 25.11 H new ATOM 0 HG22 THR A 26 8.863 -11.716 -4.896 1.00 25.11 H new ATOM 0 HG23 THR A 26 7.876 -10.984 -3.609 1.00 25.11 H new ATOM 443 N PRO A 27 6.434 -10.223 -8.504 1.00 3.21 N ATOM 444 CA PRO A 27 5.527 -10.311 -9.680 1.00 30.02 C ATOM 445 C PRO A 27 4.265 -11.179 -9.393 1.00 52.34 C ATOM 446 O PRO A 27 3.147 -10.657 -9.388 1.00 30.13 O ATOM 447 CB PRO A 27 6.428 -10.938 -10.798 1.00 54.04 C ATOM 448 CG PRO A 27 7.639 -11.464 -10.070 1.00 54.21 C ATOM 449 CD PRO A 27 7.833 -10.546 -8.896 1.00 1.22 C ATOM 0 HA PRO A 27 5.121 -9.339 -9.962 1.00 30.02 H new ATOM 0 HB2 PRO A 27 5.906 -11.737 -11.325 1.00 54.04 H new ATOM 0 HB3 PRO A 27 6.708 -10.194 -11.544 1.00 54.04 H new ATOM 0 HG2 PRO A 27 7.484 -12.492 -9.743 1.00 54.21 H new ATOM 0 HG3 PRO A 27 8.516 -11.464 -10.717 1.00 54.21 H new ATOM 0 HD2 PRO A 27 8.379 -11.032 -8.087 1.00 1.22 H new ATOM 0 HD3 PRO A 27 8.395 -9.652 -9.168 1.00 1.22 H new ATOM 457 N THR A 28 4.475 -12.488 -9.102 1.00 73.12 N ATOM 458 CA THR A 28 3.389 -13.461 -8.787 1.00 14.43 C ATOM 459 C THR A 28 2.382 -12.936 -7.730 1.00 3.11 C ATOM 460 O THR A 28 1.170 -13.074 -7.906 1.00 23.03 O ATOM 461 CB THR A 28 3.980 -14.835 -8.303 1.00 45.22 C ATOM 462 OG1 THR A 28 2.926 -15.736 -7.904 1.00 24.32 O ATOM 463 CG2 THR A 28 4.989 -14.666 -7.145 1.00 64.44 C ATOM 0 H THR A 28 5.406 -12.904 -9.078 1.00 73.12 H new ATOM 0 HA THR A 28 2.843 -13.601 -9.720 1.00 14.43 H new ATOM 0 HB THR A 28 4.516 -15.259 -9.152 1.00 45.22 H new ATOM 0 HG1 THR A 28 3.316 -16.585 -7.608 1.00 24.32 H new ATOM 0 HG21 THR A 28 5.368 -15.644 -6.847 1.00 64.44 H new ATOM 0 HG22 THR A 28 5.818 -14.040 -7.474 1.00 64.44 H new ATOM 0 HG23 THR A 28 4.493 -14.195 -6.296 1.00 64.44 H new ATOM 471 N GLY A 29 2.905 -12.302 -6.664 1.00 10.22 N ATOM 472 CA GLY A 29 2.076 -11.774 -5.574 1.00 52.41 C ATOM 473 C GLY A 29 1.246 -10.542 -5.956 1.00 52.43 C ATOM 474 O GLY A 29 0.108 -10.386 -5.495 1.00 72.23 O ATOM 0 H GLY A 29 3.905 -12.144 -6.538 1.00 10.22 H new ATOM 0 HA2 GLY A 29 1.403 -12.560 -5.231 1.00 52.41 H new ATOM 0 HA3 GLY A 29 2.721 -11.517 -4.733 1.00 52.41 H new ATOM 478 N LEU A 30 1.834 -9.667 -6.788 1.00 10.53 N ATOM 479 CA LEU A 30 1.201 -8.392 -7.221 1.00 60.13 C ATOM 480 C LEU A 30 -0.025 -8.670 -8.137 1.00 25.45 C ATOM 481 O LEU A 30 -1.115 -8.128 -7.921 1.00 1.11 O ATOM 482 CB LEU A 30 2.270 -7.488 -7.939 1.00 1.23 C ATOM 483 CG LEU A 30 2.183 -5.940 -7.676 1.00 1.33 C ATOM 484 CD1 LEU A 30 3.378 -5.189 -8.303 1.00 4.22 C ATOM 485 CD2 LEU A 30 0.850 -5.337 -8.150 1.00 52.43 C ATOM 0 H LEU A 30 2.762 -9.816 -7.184 1.00 10.53 H new ATOM 0 HA LEU A 30 0.833 -7.857 -6.345 1.00 60.13 H new ATOM 0 HB2 LEU A 30 3.260 -7.828 -7.637 1.00 1.23 H new ATOM 0 HB3 LEU A 30 2.189 -7.655 -9.013 1.00 1.23 H new ATOM 0 HG LEU A 30 2.229 -5.810 -6.595 1.00 1.33 H new ATOM 0 HD11 LEU A 30 3.284 -4.122 -8.101 1.00 4.22 H new ATOM 0 HD12 LEU A 30 4.308 -5.559 -7.871 1.00 4.22 H new ATOM 0 HD13 LEU A 30 3.387 -5.355 -9.380 1.00 4.22 H new ATOM 0 HD21 LEU A 30 0.842 -4.266 -7.945 1.00 52.43 H new ATOM 0 HD22 LEU A 30 0.736 -5.502 -9.221 1.00 52.43 H new ATOM 0 HD23 LEU A 30 0.026 -5.814 -7.620 1.00 52.43 H new ATOM 497 N GLU A 31 0.164 -9.545 -9.141 1.00 21.35 N ATOM 498 CA GLU A 31 -0.901 -9.905 -10.118 1.00 11.32 C ATOM 499 C GLU A 31 -2.048 -10.750 -9.496 1.00 62.34 C ATOM 500 O GLU A 31 -3.095 -10.915 -10.129 1.00 14.20 O ATOM 501 CB GLU A 31 -0.287 -10.634 -11.342 1.00 60.22 C ATOM 502 CG GLU A 31 0.548 -11.875 -10.993 1.00 43.44 C ATOM 503 CD GLU A 31 1.211 -12.521 -12.218 1.00 34.44 C ATOM 504 OE1 GLU A 31 0.579 -13.377 -12.870 1.00 11.31 O ATOM 505 OE2 GLU A 31 2.365 -12.158 -12.550 1.00 20.01 O ATOM 0 H GLU A 31 1.050 -10.024 -9.305 1.00 21.35 H new ATOM 0 HA GLU A 31 -1.354 -8.968 -10.442 1.00 11.32 H new ATOM 0 HB2 GLU A 31 -1.093 -10.931 -12.013 1.00 60.22 H new ATOM 0 HB3 GLU A 31 0.341 -9.931 -11.889 1.00 60.22 H new ATOM 0 HG2 GLU A 31 1.319 -11.596 -10.275 1.00 43.44 H new ATOM 0 HG3 GLU A 31 -0.092 -12.610 -10.504 1.00 43.44 H new ATOM 512 N ASP A 32 -1.853 -11.282 -8.269 1.00 73.23 N ATOM 513 CA ASP A 32 -2.934 -11.976 -7.524 1.00 35.22 C ATOM 514 C ASP A 32 -4.090 -11.017 -7.144 1.00 53.14 C ATOM 515 O ASP A 32 -5.231 -11.463 -6.966 1.00 41.41 O ATOM 516 CB ASP A 32 -2.381 -12.641 -6.236 1.00 5.51 C ATOM 517 CG ASP A 32 -1.480 -13.855 -6.494 1.00 14.33 C ATOM 518 OD1 ASP A 32 -1.779 -14.644 -7.416 1.00 34.21 O ATOM 519 OD2 ASP A 32 -0.510 -14.064 -5.739 1.00 44.35 O ATOM 0 H ASP A 32 -0.962 -11.246 -7.773 1.00 73.23 H new ATOM 0 HA ASP A 32 -3.328 -12.742 -8.192 1.00 35.22 H new ATOM 0 HB2 ASP A 32 -1.819 -11.899 -5.670 1.00 5.51 H new ATOM 0 HB3 ASP A 32 -3.219 -12.950 -5.611 1.00 5.51 H new ATOM 524 N TRP A 33 -3.793 -9.705 -7.018 1.00 25.13 N ATOM 525 CA TRP A 33 -4.786 -8.706 -6.551 1.00 42.13 C ATOM 526 C TRP A 33 -4.606 -7.320 -7.224 1.00 2.40 C ATOM 527 O TRP A 33 -4.918 -6.281 -6.619 1.00 54.04 O ATOM 528 CB TRP A 33 -4.745 -8.610 -4.990 1.00 4.44 C ATOM 529 CG TRP A 33 -3.471 -8.045 -4.375 1.00 22.34 C ATOM 530 CD1 TRP A 33 -2.174 -8.274 -4.758 1.00 72.00 C ATOM 531 CD2 TRP A 33 -3.396 -7.178 -3.232 1.00 54.34 C ATOM 532 NE1 TRP A 33 -1.308 -7.601 -3.932 1.00 2.24 N ATOM 533 CE2 TRP A 33 -2.033 -6.919 -2.987 1.00 2.34 C ATOM 534 CE3 TRP A 33 -4.358 -6.594 -2.400 1.00 55.02 C ATOM 535 CZ2 TRP A 33 -1.610 -6.099 -1.942 1.00 73.24 C ATOM 536 CZ3 TRP A 33 -3.939 -5.783 -1.364 1.00 61.30 C ATOM 537 CH2 TRP A 33 -2.575 -5.542 -1.142 1.00 41.44 C ATOM 0 H TRP A 33 -2.877 -9.311 -7.232 1.00 25.13 H new ATOM 0 HA TRP A 33 -5.775 -9.049 -6.855 1.00 42.13 H new ATOM 0 HB2 TRP A 33 -5.583 -7.994 -4.664 1.00 4.44 H new ATOM 0 HB3 TRP A 33 -4.906 -9.608 -4.583 1.00 4.44 H new ATOM 0 HD1 TRP A 33 -1.877 -8.895 -5.590 1.00 72.00 H new ATOM 0 HE1 TRP A 33 -0.291 -7.607 -4.008 1.00 2.24 H new ATOM 0 HE3 TRP A 33 -5.410 -6.775 -2.565 1.00 55.02 H new ATOM 0 HZ2 TRP A 33 -0.561 -5.909 -1.769 1.00 73.24 H new ATOM 0 HZ3 TRP A 33 -4.672 -5.327 -0.715 1.00 61.30 H new ATOM 0 HH2 TRP A 33 -2.278 -4.904 -0.323 1.00 41.44 H new ATOM 548 N PHE A 34 -4.213 -7.303 -8.520 1.00 70.43 N ATOM 549 CA PHE A 34 -4.047 -6.022 -9.261 1.00 1.41 C ATOM 550 C PHE A 34 -4.317 -6.162 -10.789 1.00 54.32 C ATOM 551 O PHE A 34 -5.249 -5.545 -11.317 1.00 23.22 O ATOM 552 CB PHE A 34 -2.636 -5.436 -9.000 1.00 12.22 C ATOM 553 CG PHE A 34 -2.462 -3.982 -9.438 1.00 75.12 C ATOM 554 CD1 PHE A 34 -2.987 -2.939 -8.670 1.00 41.53 C ATOM 555 CD2 PHE A 34 -1.777 -3.651 -10.607 1.00 22.21 C ATOM 556 CE1 PHE A 34 -2.831 -1.621 -9.059 1.00 31.32 C ATOM 557 CE2 PHE A 34 -1.624 -2.335 -10.988 1.00 53.12 C ATOM 558 CZ PHE A 34 -2.148 -1.320 -10.217 1.00 14.40 C ATOM 0 H PHE A 34 -4.008 -8.139 -9.067 1.00 70.43 H new ATOM 0 HA PHE A 34 -4.801 -5.332 -8.882 1.00 1.41 H new ATOM 0 HB2 PHE A 34 -2.417 -5.510 -7.935 1.00 12.22 H new ATOM 0 HB3 PHE A 34 -1.900 -6.049 -9.520 1.00 12.22 H new ATOM 0 HD1 PHE A 34 -3.522 -3.165 -7.760 1.00 41.53 H new ATOM 0 HD2 PHE A 34 -1.361 -4.436 -11.222 1.00 22.21 H new ATOM 0 HE1 PHE A 34 -3.245 -0.827 -8.455 1.00 31.32 H new ATOM 0 HE2 PHE A 34 -1.090 -2.098 -11.896 1.00 53.12 H new ATOM 0 HZ PHE A 34 -2.023 -0.291 -10.520 1.00 14.40 H new ATOM 568 N ALA A 35 -3.482 -6.944 -11.497 1.00 24.14 N ATOM 569 CA ALA A 35 -3.600 -7.138 -12.975 1.00 21.11 C ATOM 570 C ALA A 35 -3.874 -8.613 -13.354 1.00 51.52 C ATOM 571 O ALA A 35 -3.981 -9.478 -12.482 1.00 50.00 O ATOM 572 CB ALA A 35 -2.320 -6.627 -13.660 1.00 74.22 C ATOM 0 H ALA A 35 -2.709 -7.460 -11.076 1.00 24.14 H new ATOM 0 HA ALA A 35 -4.458 -6.563 -13.324 1.00 21.11 H new ATOM 0 HB1 ALA A 35 -2.403 -6.767 -14.738 1.00 74.22 H new ATOM 0 HB2 ALA A 35 -2.188 -5.567 -13.441 1.00 74.22 H new ATOM 0 HB3 ALA A 35 -1.461 -7.184 -13.287 1.00 74.22 H new ATOM 578 N ASP A 36 -3.998 -8.872 -14.673 1.00 62.41 N ATOM 579 CA ASP A 36 -4.168 -10.237 -15.236 1.00 14.12 C ATOM 580 C ASP A 36 -2.868 -11.055 -15.066 1.00 70.21 C ATOM 581 O ASP A 36 -2.870 -12.169 -14.529 1.00 3.53 O ATOM 582 CB ASP A 36 -4.528 -10.152 -16.744 1.00 52.33 C ATOM 583 CG ASP A 36 -5.820 -9.359 -17.025 1.00 64.43 C ATOM 584 OD1 ASP A 36 -5.833 -8.133 -16.794 1.00 22.42 O ATOM 585 OD2 ASP A 36 -6.825 -9.954 -17.469 1.00 62.12 O ATOM 0 H ASP A 36 -3.984 -8.140 -15.384 1.00 62.41 H new ATOM 0 HA ASP A 36 -4.976 -10.732 -14.698 1.00 14.12 H new ATOM 0 HB2 ASP A 36 -3.702 -9.686 -17.281 1.00 52.33 H new ATOM 0 HB3 ASP A 36 -4.637 -11.161 -17.141 1.00 52.33 H new ATOM 590 N LYS A 37 -1.764 -10.473 -15.549 1.00 54.53 N ATOM 591 CA LYS A 37 -0.409 -11.033 -15.414 1.00 10.21 C ATOM 592 C LYS A 37 0.587 -9.862 -15.435 1.00 0.12 C ATOM 593 O LYS A 37 0.468 -8.966 -16.268 1.00 63.05 O ATOM 594 CB LYS A 37 -0.128 -12.061 -16.565 1.00 74.13 C ATOM 595 CG LYS A 37 1.080 -13.016 -16.346 1.00 11.41 C ATOM 596 CD LYS A 37 2.464 -12.376 -16.645 1.00 35.11 C ATOM 597 CE LYS A 37 3.636 -13.255 -16.177 1.00 30.04 C ATOM 598 NZ LYS A 37 3.609 -13.462 -14.702 1.00 63.54 N ATOM 0 H LYS A 37 -1.784 -9.586 -16.053 1.00 54.53 H new ATOM 0 HA LYS A 37 -0.305 -11.577 -14.475 1.00 10.21 H new ATOM 0 HB2 LYS A 37 -1.023 -12.666 -16.711 1.00 74.13 H new ATOM 0 HB3 LYS A 37 0.036 -11.506 -17.489 1.00 74.13 H new ATOM 0 HG2 LYS A 37 1.070 -13.365 -15.313 1.00 11.41 H new ATOM 0 HG3 LYS A 37 0.954 -13.893 -16.980 1.00 11.41 H new ATOM 0 HD2 LYS A 37 2.554 -12.198 -17.717 1.00 35.11 H new ATOM 0 HD3 LYS A 37 2.525 -11.405 -16.154 1.00 35.11 H new ATOM 0 HE2 LYS A 37 3.592 -14.220 -16.682 1.00 30.04 H new ATOM 0 HE3 LYS A 37 4.579 -12.788 -16.463 1.00 30.04 H new ATOM 0 HZ1 LYS A 37 4.572 -13.365 -14.320 1.00 63.54 H new ATOM 0 HZ2 LYS A 37 2.989 -12.752 -14.263 1.00 63.54 H new ATOM 0 HZ3 LYS A 37 3.247 -14.414 -14.492 1.00 63.54 H new ATOM 612 N VAL A 38 1.559 -9.844 -14.508 1.00 12.54 N ATOM 613 CA VAL A 38 2.585 -8.780 -14.453 1.00 3.31 C ATOM 614 C VAL A 38 3.995 -9.353 -14.764 1.00 73.35 C ATOM 615 O VAL A 38 4.426 -10.359 -14.184 1.00 62.43 O ATOM 616 CB VAL A 38 2.558 -8.003 -13.075 1.00 22.15 C ATOM 617 CG1 VAL A 38 1.151 -7.440 -12.781 1.00 24.24 C ATOM 618 CG2 VAL A 38 3.037 -8.862 -11.895 1.00 70.24 C ATOM 0 H VAL A 38 1.659 -10.555 -13.783 1.00 12.54 H new ATOM 0 HA VAL A 38 2.344 -8.051 -15.227 1.00 3.31 H new ATOM 0 HB VAL A 38 3.260 -7.176 -13.181 1.00 22.15 H new ATOM 0 HG11 VAL A 38 1.163 -6.911 -11.828 1.00 24.24 H new ATOM 0 HG12 VAL A 38 0.862 -6.751 -13.575 1.00 24.24 H new ATOM 0 HG13 VAL A 38 0.434 -8.260 -12.733 1.00 24.24 H new ATOM 0 HG21 VAL A 38 2.996 -8.275 -10.977 1.00 70.24 H new ATOM 0 HG22 VAL A 38 2.393 -9.736 -11.796 1.00 70.24 H new ATOM 0 HG23 VAL A 38 4.062 -9.186 -12.073 1.00 70.24 H new ATOM 628 N VAL A 39 4.673 -8.751 -15.754 1.00 74.34 N ATOM 629 CA VAL A 39 6.062 -9.109 -16.119 1.00 25.24 C ATOM 630 C VAL A 39 7.047 -8.098 -15.487 1.00 72.31 C ATOM 631 O VAL A 39 7.037 -6.919 -15.840 1.00 64.11 O ATOM 632 CB VAL A 39 6.240 -9.130 -17.690 1.00 24.41 C ATOM 633 CG1 VAL A 39 7.687 -9.534 -18.109 1.00 15.52 C ATOM 634 CG2 VAL A 39 5.180 -10.049 -18.358 1.00 41.21 C ATOM 0 H VAL A 39 4.279 -8.004 -16.326 1.00 74.34 H new ATOM 0 HA VAL A 39 6.276 -10.107 -15.736 1.00 25.24 H new ATOM 0 HB VAL A 39 6.078 -8.113 -18.048 1.00 24.41 H new ATOM 0 HG11 VAL A 39 7.764 -9.535 -19.196 1.00 15.52 H new ATOM 0 HG12 VAL A 39 8.398 -8.819 -17.696 1.00 15.52 H new ATOM 0 HG13 VAL A 39 7.911 -10.530 -17.728 1.00 15.52 H new ATOM 0 HG21 VAL A 39 5.325 -10.046 -19.438 1.00 41.21 H new ATOM 0 HG22 VAL A 39 5.290 -11.066 -17.980 1.00 41.21 H new ATOM 0 HG23 VAL A 39 4.181 -9.681 -18.125 1.00 41.21 H new ATOM 644 N SER A 40 7.908 -8.566 -14.566 1.00 71.24 N ATOM 645 CA SER A 40 8.899 -7.696 -13.880 1.00 10.33 C ATOM 646 C SER A 40 10.330 -8.008 -14.363 1.00 12.13 C ATOM 647 O SER A 40 10.759 -9.167 -14.355 1.00 64.42 O ATOM 648 CB SER A 40 8.816 -7.866 -12.346 1.00 5.14 C ATOM 649 OG SER A 40 9.735 -7.005 -11.681 1.00 22.25 O ATOM 0 H SER A 40 7.943 -9.543 -14.274 1.00 71.24 H new ATOM 0 HA SER A 40 8.660 -6.663 -14.131 1.00 10.33 H new ATOM 0 HB2 SER A 40 7.802 -7.651 -12.008 1.00 5.14 H new ATOM 0 HB3 SER A 40 9.027 -8.902 -12.081 1.00 5.14 H new ATOM 0 HG SER A 40 9.806 -6.160 -12.172 1.00 22.25 H new ATOM 655 N ASP A 41 11.054 -6.965 -14.784 1.00 44.31 N ATOM 656 CA ASP A 41 12.451 -7.076 -15.256 1.00 22.40 C ATOM 657 C ASP A 41 13.413 -7.304 -14.066 1.00 21.14 C ATOM 658 O ASP A 41 14.201 -8.261 -14.057 1.00 61.33 O ATOM 659 CB ASP A 41 12.820 -5.797 -16.043 1.00 21.35 C ATOM 660 CG ASP A 41 11.770 -5.478 -17.124 1.00 43.52 C ATOM 661 OD1 ASP A 41 11.820 -6.084 -18.218 1.00 4.21 O ATOM 662 OD2 ASP A 41 10.876 -4.635 -16.871 1.00 15.22 O ATOM 0 H ASP A 41 10.691 -6.012 -14.809 1.00 44.31 H new ATOM 0 HA ASP A 41 12.547 -7.937 -15.917 1.00 22.40 H new ATOM 0 HB2 ASP A 41 12.902 -4.956 -15.355 1.00 21.35 H new ATOM 0 HB3 ASP A 41 13.797 -5.924 -16.509 1.00 21.35 H new ATOM 667 N ASP A 42 13.307 -6.417 -13.058 1.00 30.33 N ATOM 668 CA ASP A 42 14.060 -6.528 -11.792 1.00 52.23 C ATOM 669 C ASP A 42 13.398 -5.625 -10.722 1.00 12.41 C ATOM 670 O ASP A 42 12.807 -6.119 -9.755 1.00 32.34 O ATOM 671 CB ASP A 42 15.551 -6.150 -12.005 1.00 2.33 C ATOM 672 CG ASP A 42 16.442 -6.522 -10.810 1.00 51.53 C ATOM 673 OD1 ASP A 42 16.752 -7.725 -10.646 1.00 12.32 O ATOM 674 OD2 ASP A 42 16.836 -5.627 -10.035 1.00 45.11 O ATOM 0 H ASP A 42 12.696 -5.601 -13.098 1.00 30.33 H new ATOM 0 HA ASP A 42 14.034 -7.561 -11.445 1.00 52.23 H new ATOM 0 HB2 ASP A 42 15.923 -6.652 -12.898 1.00 2.33 H new ATOM 0 HB3 ASP A 42 15.626 -5.078 -12.187 1.00 2.33 H new ATOM 679 N LYS A 43 13.487 -4.294 -10.924 1.00 22.22 N ATOM 680 CA LYS A 43 12.864 -3.282 -10.033 1.00 31.24 C ATOM 681 C LYS A 43 11.810 -2.441 -10.800 1.00 75.13 C ATOM 682 O LYS A 43 11.513 -1.303 -10.417 1.00 44.42 O ATOM 683 CB LYS A 43 13.967 -2.364 -9.428 1.00 63.34 C ATOM 684 CG LYS A 43 14.993 -3.101 -8.536 1.00 2.14 C ATOM 685 CD LYS A 43 16.100 -2.167 -8.001 1.00 20.13 C ATOM 686 CE LYS A 43 17.145 -2.907 -7.149 1.00 44.04 C ATOM 687 NZ LYS A 43 18.216 -1.992 -6.685 1.00 13.20 N ATOM 0 H LYS A 43 13.993 -3.886 -11.710 1.00 22.22 H new ATOM 0 HA LYS A 43 12.350 -3.799 -9.223 1.00 31.24 H new ATOM 0 HB2 LYS A 43 14.499 -1.871 -10.242 1.00 63.34 H new ATOM 0 HB3 LYS A 43 13.489 -1.581 -8.840 1.00 63.34 H new ATOM 0 HG2 LYS A 43 14.473 -3.560 -7.695 1.00 2.14 H new ATOM 0 HG3 LYS A 43 15.450 -3.909 -9.107 1.00 2.14 H new ATOM 0 HD2 LYS A 43 16.599 -1.684 -8.841 1.00 20.13 H new ATOM 0 HD3 LYS A 43 15.645 -1.377 -7.404 1.00 20.13 H new ATOM 0 HE2 LYS A 43 16.657 -3.363 -6.288 1.00 44.04 H new ATOM 0 HE3 LYS A 43 17.584 -3.716 -7.732 1.00 44.04 H new ATOM 0 HZ1 LYS A 43 18.903 -2.524 -6.114 1.00 13.20 H new ATOM 0 HZ2 LYS A 43 18.698 -1.576 -7.508 1.00 13.20 H new ATOM 0 HZ3 LYS A 43 17.799 -1.234 -6.108 1.00 13.20 H new ATOM 701 N THR A 44 11.244 -3.020 -11.876 1.00 75.13 N ATOM 702 CA THR A 44 10.143 -2.397 -12.654 1.00 20.31 C ATOM 703 C THR A 44 9.114 -3.475 -13.048 1.00 52.55 C ATOM 704 O THR A 44 9.462 -4.451 -13.722 1.00 35.25 O ATOM 705 CB THR A 44 10.647 -1.678 -13.953 1.00 34.22 C ATOM 706 OG1 THR A 44 11.686 -0.742 -13.632 1.00 5.44 O ATOM 707 CG2 THR A 44 9.515 -0.926 -14.683 1.00 2.35 C ATOM 0 H THR A 44 11.532 -3.931 -12.234 1.00 75.13 H new ATOM 0 HA THR A 44 9.690 -1.641 -12.012 1.00 20.31 H new ATOM 0 HB THR A 44 11.026 -2.457 -14.615 1.00 34.22 H new ATOM 0 HG1 THR A 44 11.993 -0.301 -14.451 1.00 5.44 H new ATOM 0 HG21 THR A 44 9.914 -0.445 -15.576 1.00 2.35 H new ATOM 0 HG22 THR A 44 8.735 -1.632 -14.969 1.00 2.35 H new ATOM 0 HG23 THR A 44 9.095 -0.169 -14.020 1.00 2.35 H new ATOM 715 N VAL A 45 7.859 -3.287 -12.621 1.00 73.52 N ATOM 716 CA VAL A 45 6.766 -4.257 -12.837 1.00 23.01 C ATOM 717 C VAL A 45 5.779 -3.740 -13.922 1.00 24.42 C ATOM 718 O VAL A 45 5.185 -2.667 -13.765 1.00 33.24 O ATOM 719 CB VAL A 45 5.987 -4.529 -11.495 1.00 73.22 C ATOM 720 CG1 VAL A 45 4.962 -5.671 -11.671 1.00 3.34 C ATOM 721 CG2 VAL A 45 6.956 -4.829 -10.321 1.00 50.31 C ATOM 0 H VAL A 45 7.566 -2.453 -12.112 1.00 73.52 H new ATOM 0 HA VAL A 45 7.211 -5.191 -13.181 1.00 23.01 H new ATOM 0 HB VAL A 45 5.442 -3.619 -11.245 1.00 73.22 H new ATOM 0 HG11 VAL A 45 4.438 -5.838 -10.730 1.00 3.34 H new ATOM 0 HG12 VAL A 45 4.243 -5.398 -12.443 1.00 3.34 H new ATOM 0 HG13 VAL A 45 5.481 -6.584 -11.964 1.00 3.34 H new ATOM 0 HG21 VAL A 45 6.382 -5.011 -9.413 1.00 50.31 H new ATOM 0 HG22 VAL A 45 7.551 -5.711 -10.557 1.00 50.31 H new ATOM 0 HG23 VAL A 45 7.617 -3.976 -10.167 1.00 50.31 H new ATOM 731 N THR A 46 5.610 -4.516 -15.007 1.00 72.22 N ATOM 732 CA THR A 46 4.707 -4.168 -16.133 1.00 22.35 C ATOM 733 C THR A 46 3.358 -4.908 -15.990 1.00 75.22 C ATOM 734 O THR A 46 3.296 -6.130 -16.146 1.00 12.11 O ATOM 735 CB THR A 46 5.352 -4.541 -17.514 1.00 23.03 C ATOM 736 OG1 THR A 46 6.694 -4.027 -17.570 1.00 71.43 O ATOM 737 CG2 THR A 46 4.543 -3.982 -18.709 1.00 54.51 C ATOM 0 H THR A 46 6.094 -5.405 -15.134 1.00 72.22 H new ATOM 0 HA THR A 46 4.541 -3.091 -16.100 1.00 22.35 H new ATOM 0 HB THR A 46 5.353 -5.628 -17.592 1.00 23.03 H new ATOM 0 HG1 THR A 46 7.098 -4.261 -18.432 1.00 71.43 H new ATOM 0 HG21 THR A 46 5.029 -4.266 -19.642 1.00 54.51 H new ATOM 0 HG22 THR A 46 3.533 -4.390 -18.687 1.00 54.51 H new ATOM 0 HG23 THR A 46 4.497 -2.895 -18.641 1.00 54.51 H new ATOM 745 N PHE A 47 2.287 -4.159 -15.706 1.00 22.43 N ATOM 746 CA PHE A 47 0.939 -4.716 -15.470 1.00 12.52 C ATOM 747 C PHE A 47 0.185 -4.908 -16.802 1.00 75.12 C ATOM 748 O PHE A 47 -0.208 -3.923 -17.433 1.00 62.40 O ATOM 749 CB PHE A 47 0.124 -3.768 -14.553 1.00 34.41 C ATOM 750 CG PHE A 47 0.916 -3.143 -13.409 1.00 61.25 C ATOM 751 CD1 PHE A 47 1.426 -3.923 -12.378 1.00 24.14 C ATOM 752 CD2 PHE A 47 1.138 -1.770 -13.365 1.00 63.12 C ATOM 753 CE1 PHE A 47 2.131 -3.351 -11.337 1.00 1.21 C ATOM 754 CE2 PHE A 47 1.844 -1.200 -12.327 1.00 51.04 C ATOM 755 CZ PHE A 47 2.340 -1.992 -11.311 1.00 30.13 C ATOM 0 H PHE A 47 2.325 -3.142 -15.632 1.00 22.43 H new ATOM 0 HA PHE A 47 1.054 -5.686 -14.985 1.00 12.52 H new ATOM 0 HB2 PHE A 47 -0.297 -2.969 -15.163 1.00 34.41 H new ATOM 0 HB3 PHE A 47 -0.715 -4.324 -14.134 1.00 34.41 H new ATOM 0 HD1 PHE A 47 1.269 -4.991 -12.391 1.00 24.14 H new ATOM 0 HD2 PHE A 47 0.752 -1.142 -14.155 1.00 63.12 H new ATOM 0 HE1 PHE A 47 2.519 -3.972 -10.543 1.00 1.21 H new ATOM 0 HE2 PHE A 47 2.009 -0.133 -12.309 1.00 51.04 H new ATOM 0 HZ PHE A 47 2.891 -1.545 -10.497 1.00 30.13 H new ATOM 765 N CYS A 48 0.002 -6.167 -17.228 1.00 50.21 N ATOM 766 CA CYS A 48 -0.746 -6.490 -18.467 1.00 32.10 C ATOM 767 C CYS A 48 -2.258 -6.613 -18.174 1.00 43.43 C ATOM 768 O CYS A 48 -2.668 -7.345 -17.260 1.00 50.04 O ATOM 769 CB CYS A 48 -0.211 -7.794 -19.101 1.00 22.11 C ATOM 770 SG CYS A 48 1.565 -7.760 -19.458 1.00 65.03 S ATOM 0 H CYS A 48 0.361 -6.985 -16.735 1.00 50.21 H new ATOM 0 HA CYS A 48 -0.598 -5.676 -19.177 1.00 32.10 H new ATOM 0 HB2 CYS A 48 -0.421 -8.626 -18.429 1.00 22.11 H new ATOM 0 HB3 CYS A 48 -0.754 -7.986 -20.026 1.00 22.11 H new ATOM 0 HG CYS A 48 1.924 -8.893 -19.984 1.00 65.03 H new ATOM 776 N TRP A 49 -3.062 -5.866 -18.947 1.00 31.32 N ATOM 777 CA TRP A 49 -4.535 -5.871 -18.869 1.00 54.20 C ATOM 778 C TRP A 49 -5.128 -6.126 -20.271 1.00 54.03 C ATOM 779 O TRP A 49 -5.067 -5.244 -21.143 1.00 4.11 O ATOM 780 CB TRP A 49 -5.075 -4.521 -18.318 1.00 53.20 C ATOM 781 CG TRP A 49 -4.719 -4.210 -16.880 1.00 21.13 C ATOM 782 CD1 TRP A 49 -5.139 -4.879 -15.767 1.00 61.53 C ATOM 783 CD2 TRP A 49 -3.904 -3.126 -16.405 1.00 44.11 C ATOM 784 NE1 TRP A 49 -4.654 -4.272 -14.636 1.00 50.24 N ATOM 785 CE2 TRP A 49 -3.888 -3.199 -15.001 1.00 23.33 C ATOM 786 CE3 TRP A 49 -3.193 -2.101 -17.031 1.00 74.43 C ATOM 787 CZ2 TRP A 49 -3.192 -2.291 -14.214 1.00 31.45 C ATOM 788 CZ3 TRP A 49 -2.497 -1.199 -16.249 1.00 74.11 C ATOM 789 CH2 TRP A 49 -2.503 -1.295 -14.852 1.00 54.14 C ATOM 0 H TRP A 49 -2.702 -5.229 -19.658 1.00 31.32 H new ATOM 0 HA TRP A 49 -4.836 -6.666 -18.186 1.00 54.20 H new ATOM 0 HB2 TRP A 49 -4.699 -3.716 -18.949 1.00 53.20 H new ATOM 0 HB3 TRP A 49 -6.161 -4.519 -18.413 1.00 53.20 H new ATOM 0 HD1 TRP A 49 -5.764 -5.760 -15.775 1.00 61.53 H new ATOM 0 HE1 TRP A 49 -4.835 -4.572 -13.678 1.00 50.24 H new ATOM 0 HE3 TRP A 49 -3.187 -2.014 -18.108 1.00 74.43 H new ATOM 0 HZ2 TRP A 49 -3.194 -2.368 -13.137 1.00 31.45 H new ATOM 0 HZ3 TRP A 49 -1.938 -0.406 -16.724 1.00 74.11 H new ATOM 0 HH2 TRP A 49 -1.955 -0.571 -14.268 1.00 54.14 H new ATOM 800 N GLY A 50 -5.674 -7.337 -20.483 1.00 54.24 N ATOM 801 CA GLY A 50 -6.382 -7.683 -21.726 1.00 2.32 C ATOM 802 C GLY A 50 -5.464 -7.823 -22.953 1.00 53.12 C ATOM 803 O GLY A 50 -5.020 -8.933 -23.281 1.00 74.14 O ATOM 0 H GLY A 50 -5.637 -8.097 -19.803 1.00 54.24 H new ATOM 0 HA2 GLY A 50 -6.918 -8.621 -21.578 1.00 2.32 H new ATOM 0 HA3 GLY A 50 -7.130 -6.917 -21.931 1.00 2.32 H new ATOM 807 N LYS A 51 -5.168 -6.686 -23.624 1.00 15.04 N ATOM 808 CA LYS A 51 -4.358 -6.662 -24.862 1.00 10.14 C ATOM 809 C LYS A 51 -3.487 -5.377 -24.944 1.00 73.14 C ATOM 810 O LYS A 51 -2.258 -5.438 -24.841 1.00 24.45 O ATOM 811 CB LYS A 51 -5.300 -6.775 -26.105 1.00 44.35 C ATOM 812 CG LYS A 51 -4.592 -7.009 -27.463 1.00 74.13 C ATOM 813 CD LYS A 51 -3.800 -8.339 -27.499 1.00 12.14 C ATOM 814 CE LYS A 51 -3.250 -8.676 -28.900 1.00 33.10 C ATOM 815 NZ LYS A 51 -4.333 -8.894 -29.900 1.00 60.12 N ATOM 0 H LYS A 51 -5.483 -5.764 -23.323 1.00 15.04 H new ATOM 0 HA LYS A 51 -3.678 -7.514 -24.849 1.00 10.14 H new ATOM 0 HB2 LYS A 51 -6.000 -7.593 -25.935 1.00 44.35 H new ATOM 0 HB3 LYS A 51 -5.890 -5.861 -26.176 1.00 44.35 H new ATOM 0 HG2 LYS A 51 -5.335 -7.011 -28.261 1.00 74.13 H new ATOM 0 HG3 LYS A 51 -3.913 -6.180 -27.662 1.00 74.13 H new ATOM 0 HD2 LYS A 51 -2.971 -8.281 -26.794 1.00 12.14 H new ATOM 0 HD3 LYS A 51 -4.447 -9.150 -27.164 1.00 12.14 H new ATOM 0 HE2 LYS A 51 -2.605 -7.865 -29.238 1.00 33.10 H new ATOM 0 HE3 LYS A 51 -2.631 -9.571 -28.838 1.00 33.10 H new ATOM 0 HZ1 LYS A 51 -3.927 -9.296 -30.769 1.00 60.12 H new ATOM 0 HZ2 LYS A 51 -5.038 -9.552 -29.510 1.00 60.12 H new ATOM 0 HZ3 LYS A 51 -4.791 -7.986 -30.120 1.00 60.12 H new ATOM 829 N THR A 52 -4.144 -4.209 -25.107 1.00 13.41 N ATOM 830 CA THR A 52 -3.457 -2.921 -25.411 1.00 63.31 C ATOM 831 C THR A 52 -3.304 -1.996 -24.172 1.00 13.12 C ATOM 832 O THR A 52 -2.999 -0.808 -24.316 1.00 53.21 O ATOM 833 CB THR A 52 -4.210 -2.153 -26.557 1.00 4.14 C ATOM 834 OG1 THR A 52 -5.551 -1.829 -26.141 1.00 71.04 O ATOM 835 CG2 THR A 52 -4.271 -2.978 -27.860 1.00 31.42 C ATOM 0 H THR A 52 -5.158 -4.125 -25.034 1.00 13.41 H new ATOM 0 HA THR A 52 -2.451 -3.184 -25.737 1.00 63.31 H new ATOM 0 HB THR A 52 -3.648 -1.240 -26.756 1.00 4.14 H new ATOM 0 HG1 THR A 52 -6.010 -1.349 -26.862 1.00 71.04 H new ATOM 0 HG21 THR A 52 -4.800 -2.410 -28.626 1.00 31.42 H new ATOM 0 HG22 THR A 52 -3.259 -3.193 -28.202 1.00 31.42 H new ATOM 0 HG23 THR A 52 -4.798 -3.914 -27.674 1.00 31.42 H new ATOM 843 N GLU A 53 -3.489 -2.540 -22.955 1.00 65.34 N ATOM 844 CA GLU A 53 -3.275 -1.778 -21.693 1.00 10.32 C ATOM 845 C GLU A 53 -2.175 -2.447 -20.823 1.00 32.54 C ATOM 846 O GLU A 53 -2.462 -3.281 -19.969 1.00 22.32 O ATOM 847 CB GLU A 53 -4.618 -1.651 -20.912 1.00 12.23 C ATOM 848 CG GLU A 53 -5.688 -0.773 -21.604 1.00 14.20 C ATOM 849 CD GLU A 53 -7.072 -0.862 -20.931 1.00 23.02 C ATOM 850 OE1 GLU A 53 -7.249 -0.297 -19.827 1.00 0.43 O ATOM 851 OE2 GLU A 53 -7.984 -1.512 -21.494 1.00 2.12 O ATOM 0 H GLU A 53 -3.786 -3.505 -22.810 1.00 65.34 H new ATOM 0 HA GLU A 53 -2.928 -0.775 -21.942 1.00 10.32 H new ATOM 0 HB2 GLU A 53 -5.030 -2.649 -20.759 1.00 12.23 H new ATOM 0 HB3 GLU A 53 -4.411 -1.237 -19.925 1.00 12.23 H new ATOM 0 HG2 GLU A 53 -5.355 0.265 -21.601 1.00 14.20 H new ATOM 0 HG3 GLU A 53 -5.778 -1.075 -22.647 1.00 14.20 H new ATOM 858 N GLN A 54 -0.904 -2.091 -21.082 1.00 54.11 N ATOM 859 CA GLN A 54 0.255 -2.594 -20.313 1.00 10.14 C ATOM 860 C GLN A 54 1.086 -1.393 -19.794 1.00 24.35 C ATOM 861 O GLN A 54 1.574 -0.577 -20.576 1.00 40.24 O ATOM 862 CB GLN A 54 1.108 -3.601 -21.161 1.00 14.14 C ATOM 863 CG GLN A 54 1.886 -3.033 -22.388 1.00 3.15 C ATOM 864 CD GLN A 54 1.063 -2.763 -23.669 1.00 11.03 C ATOM 865 OE1 GLN A 54 -0.125 -2.471 -23.641 1.00 64.31 O ATOM 866 NE2 GLN A 54 1.718 -2.816 -24.811 1.00 54.15 N ATOM 0 H GLN A 54 -0.648 -1.446 -21.830 1.00 54.11 H new ATOM 0 HA GLN A 54 -0.098 -3.157 -19.449 1.00 10.14 H new ATOM 0 HB2 GLN A 54 1.830 -4.074 -20.495 1.00 14.14 H new ATOM 0 HB3 GLN A 54 0.443 -4.386 -21.519 1.00 14.14 H new ATOM 0 HG2 GLN A 54 2.362 -2.100 -22.087 1.00 3.15 H new ATOM 0 HG3 GLN A 54 2.684 -3.732 -22.638 1.00 3.15 H new ATOM 0 HE21 GLN A 54 2.708 -3.061 -24.820 1.00 54.15 H new ATOM 0 HE22 GLN A 54 1.235 -2.612 -25.686 1.00 54.15 H new ATOM 875 N ARG A 55 1.161 -1.233 -18.456 1.00 23.43 N ATOM 876 CA ARG A 55 1.739 -0.025 -17.803 1.00 20.44 C ATOM 877 C ARG A 55 2.858 -0.429 -16.815 1.00 22.02 C ATOM 878 O ARG A 55 2.649 -1.293 -15.980 1.00 41.23 O ATOM 879 CB ARG A 55 0.622 0.783 -17.051 1.00 53.23 C ATOM 880 CG ARG A 55 -0.237 1.735 -17.939 1.00 33.54 C ATOM 881 CD ARG A 55 -1.181 1.034 -18.939 1.00 71.15 C ATOM 882 NE ARG A 55 -1.673 1.962 -19.979 1.00 62.35 N ATOM 883 CZ ARG A 55 -1.361 1.913 -21.260 1.00 61.44 C ATOM 884 NH1 ARG A 55 -0.560 1.010 -21.731 1.00 13.42 N ATOM 885 NH2 ARG A 55 -1.842 2.801 -22.059 1.00 40.03 N ATOM 0 H ARG A 55 0.825 -1.932 -17.794 1.00 23.43 H new ATOM 0 HA ARG A 55 2.167 0.611 -18.578 1.00 20.44 H new ATOM 0 HB2 ARG A 55 -0.045 0.075 -16.559 1.00 53.23 H new ATOM 0 HB3 ARG A 55 1.093 1.375 -16.266 1.00 53.23 H new ATOM 0 HG2 ARG A 55 -0.834 2.372 -17.287 1.00 33.54 H new ATOM 0 HG3 ARG A 55 0.434 2.389 -18.496 1.00 33.54 H new ATOM 0 HD2 ARG A 55 -0.656 0.204 -19.412 1.00 71.15 H new ATOM 0 HD3 ARG A 55 -2.029 0.610 -18.401 1.00 71.15 H new ATOM 0 HE ARG A 55 -2.307 2.703 -19.681 1.00 62.35 H new ATOM 0 HH11 ARG A 55 -0.153 0.313 -21.107 1.00 13.42 H new ATOM 0 HH12 ARG A 55 -0.336 0.996 -22.726 1.00 13.42 H new ATOM 0 HH21 ARG A 55 -2.457 3.531 -21.699 1.00 40.03 H new ATOM 0 HH22 ARG A 55 -1.608 2.774 -23.052 1.00 40.03 H new ATOM 899 N GLN A 56 4.039 0.205 -16.919 1.00 52.12 N ATOM 900 CA GLN A 56 5.171 -0.068 -16.000 1.00 22.31 C ATOM 901 C GLN A 56 5.135 0.852 -14.753 1.00 0.22 C ATOM 902 O GLN A 56 4.726 2.019 -14.831 1.00 61.20 O ATOM 903 CB GLN A 56 6.525 0.097 -16.731 1.00 73.12 C ATOM 904 CG GLN A 56 6.713 -0.819 -17.955 1.00 62.11 C ATOM 905 CD GLN A 56 8.170 -0.912 -18.436 1.00 54.40 C ATOM 906 OE1 GLN A 56 8.617 -0.117 -19.246 1.00 10.33 O ATOM 907 NE2 GLN A 56 8.909 -1.890 -17.938 1.00 2.31 N ATOM 0 H GLN A 56 4.240 0.910 -17.628 1.00 52.12 H new ATOM 0 HA GLN A 56 5.068 -1.100 -15.665 1.00 22.31 H new ATOM 0 HB2 GLN A 56 6.625 1.134 -17.052 1.00 73.12 H new ATOM 0 HB3 GLN A 56 7.331 -0.097 -16.023 1.00 73.12 H new ATOM 0 HG2 GLN A 56 6.356 -1.819 -17.708 1.00 62.11 H new ATOM 0 HG3 GLN A 56 6.092 -0.452 -18.772 1.00 62.11 H new ATOM 0 HE21 GLN A 56 8.507 -2.539 -17.262 1.00 2.31 H new ATOM 0 HE22 GLN A 56 9.881 -1.994 -18.230 1.00 2.31 H new ATOM 916 N ALA A 57 5.589 0.300 -13.609 1.00 30.11 N ATOM 917 CA ALA A 57 5.777 1.045 -12.341 1.00 71.41 C ATOM 918 C ALA A 57 7.042 0.536 -11.621 1.00 1.01 C ATOM 919 O ALA A 57 7.159 -0.658 -11.319 1.00 51.23 O ATOM 920 CB ALA A 57 4.547 0.911 -11.426 1.00 3.32 C ATOM 0 H ALA A 57 5.839 -0.686 -13.536 1.00 30.11 H new ATOM 0 HA ALA A 57 5.899 2.102 -12.578 1.00 71.41 H new ATOM 0 HB1 ALA A 57 4.716 1.468 -10.505 1.00 3.32 H new ATOM 0 HB2 ALA A 57 3.670 1.310 -11.935 1.00 3.32 H new ATOM 0 HB3 ALA A 57 4.383 -0.140 -11.189 1.00 3.32 H new ATOM 926 N GLY A 58 7.982 1.452 -11.349 1.00 60.31 N ATOM 927 CA GLY A 58 9.291 1.100 -10.782 1.00 53.13 C ATOM 928 C GLY A 58 9.356 1.262 -9.267 1.00 63.12 C ATOM 929 O GLY A 58 8.902 2.282 -8.733 1.00 53.42 O ATOM 0 H GLY A 58 7.858 2.451 -11.514 1.00 60.31 H new ATOM 0 HA2 GLY A 58 9.525 0.067 -11.040 1.00 53.13 H new ATOM 0 HA3 GLY A 58 10.058 1.725 -11.240 1.00 53.13 H new ATOM 933 N ILE A 59 9.922 0.249 -8.573 1.00 22.42 N ATOM 934 CA ILE A 59 10.187 0.313 -7.120 1.00 2.35 C ATOM 935 C ILE A 59 11.295 1.362 -6.850 1.00 72.33 C ATOM 936 O ILE A 59 12.403 1.258 -7.399 1.00 33.22 O ATOM 937 CB ILE A 59 10.621 -1.082 -6.479 1.00 51.24 C ATOM 938 CG1 ILE A 59 9.497 -2.177 -6.607 1.00 73.20 C ATOM 939 CG2 ILE A 59 11.031 -0.907 -4.983 1.00 5.24 C ATOM 940 CD1 ILE A 59 9.293 -2.769 -7.994 1.00 63.33 C ATOM 0 H ILE A 59 10.206 -0.631 -9.003 1.00 22.42 H new ATOM 0 HA ILE A 59 9.246 0.593 -6.646 1.00 2.35 H new ATOM 0 HB ILE A 59 11.484 -1.429 -7.046 1.00 51.24 H new ATOM 0 HG12 ILE A 59 9.729 -2.989 -5.918 1.00 73.20 H new ATOM 0 HG13 ILE A 59 8.554 -1.740 -6.278 1.00 73.20 H new ATOM 0 HG21 ILE A 59 11.322 -1.873 -4.570 1.00 5.24 H new ATOM 0 HG22 ILE A 59 11.870 -0.215 -4.914 1.00 5.24 H new ATOM 0 HG23 ILE A 59 10.187 -0.511 -4.418 1.00 5.24 H new ATOM 0 HD11 ILE A 59 8.495 -3.510 -7.959 1.00 63.33 H new ATOM 0 HD12 ILE A 59 9.022 -1.977 -8.692 1.00 63.33 H new ATOM 0 HD13 ILE A 59 10.216 -3.245 -8.326 1.00 63.33 H new ATOM 952 N VAL A 60 10.981 2.363 -6.014 1.00 51.34 N ATOM 953 CA VAL A 60 11.923 3.439 -5.646 1.00 33.23 C ATOM 954 C VAL A 60 12.924 2.932 -4.576 1.00 42.24 C ATOM 955 O VAL A 60 14.145 3.076 -4.723 1.00 53.23 O ATOM 956 CB VAL A 60 11.151 4.704 -5.102 1.00 5.33 C ATOM 957 CG1 VAL A 60 12.108 5.891 -4.807 1.00 53.12 C ATOM 958 CG2 VAL A 60 10.004 5.125 -6.062 1.00 54.24 C ATOM 0 H VAL A 60 10.066 2.452 -5.572 1.00 51.34 H new ATOM 0 HA VAL A 60 12.472 3.729 -6.542 1.00 33.23 H new ATOM 0 HB VAL A 60 10.700 4.416 -4.152 1.00 5.33 H new ATOM 0 HG11 VAL A 60 11.532 6.739 -4.435 1.00 53.12 H new ATOM 0 HG12 VAL A 60 12.839 5.591 -4.056 1.00 53.12 H new ATOM 0 HG13 VAL A 60 12.625 6.178 -5.723 1.00 53.12 H new ATOM 0 HG21 VAL A 60 9.493 5.999 -5.657 1.00 54.24 H new ATOM 0 HG22 VAL A 60 10.419 5.368 -7.040 1.00 54.24 H new ATOM 0 HG23 VAL A 60 9.294 4.304 -6.163 1.00 54.24 H new ATOM 968 N ALA A 61 12.371 2.315 -3.510 1.00 23.52 N ATOM 969 CA ALA A 61 13.156 1.775 -2.380 1.00 3.40 C ATOM 970 C ALA A 61 12.342 0.718 -1.607 1.00 2.25 C ATOM 971 O ALA A 61 11.108 0.773 -1.589 1.00 35.12 O ATOM 972 CB ALA A 61 13.601 2.911 -1.441 1.00 52.10 C ATOM 0 H ALA A 61 11.365 2.177 -3.409 1.00 23.52 H new ATOM 0 HA ALA A 61 14.047 1.292 -2.781 1.00 3.40 H new ATOM 0 HB1 ALA A 61 14.178 2.495 -0.615 1.00 52.10 H new ATOM 0 HB2 ALA A 61 14.218 3.619 -1.994 1.00 52.10 H new ATOM 0 HB3 ALA A 61 12.723 3.424 -1.049 1.00 52.10 H new ATOM 978 N ILE A 62 13.051 -0.228 -0.967 1.00 63.54 N ATOM 979 CA ILE A 62 12.442 -1.322 -0.170 1.00 10.03 C ATOM 980 C ILE A 62 13.468 -1.897 0.847 1.00 64.41 C ATOM 981 O ILE A 62 14.679 -1.892 0.597 1.00 43.55 O ATOM 982 CB ILE A 62 11.865 -2.485 -1.088 1.00 23.34 C ATOM 983 CG1 ILE A 62 11.195 -3.613 -0.220 1.00 21.30 C ATOM 984 CG2 ILE A 62 12.954 -3.053 -2.034 1.00 73.41 C ATOM 985 CD1 ILE A 62 10.608 -4.774 -0.992 1.00 15.24 C ATOM 0 H ILE A 62 14.070 -0.260 -0.985 1.00 63.54 H new ATOM 0 HA ILE A 62 11.603 -0.890 0.376 1.00 10.03 H new ATOM 0 HB ILE A 62 11.087 -2.057 -1.720 1.00 23.34 H new ATOM 0 HG12 ILE A 62 11.940 -4.002 0.474 1.00 21.30 H new ATOM 0 HG13 ILE A 62 10.404 -3.163 0.380 1.00 21.30 H new ATOM 0 HG21 ILE A 62 12.526 -3.846 -2.647 1.00 73.41 H new ATOM 0 HG22 ILE A 62 13.327 -2.257 -2.679 1.00 73.41 H new ATOM 0 HG23 ILE A 62 13.776 -3.456 -1.442 1.00 73.41 H new ATOM 0 HD11 ILE A 62 10.173 -5.491 -0.296 1.00 15.24 H new ATOM 0 HD12 ILE A 62 9.834 -4.408 -1.667 1.00 15.24 H new ATOM 0 HD13 ILE A 62 11.393 -5.260 -1.571 1.00 15.24 H new ATOM 997 N ARG A 63 12.963 -2.382 2.002 1.00 13.13 N ATOM 998 CA ARG A 63 13.790 -3.042 3.035 1.00 73.15 C ATOM 999 C ARG A 63 12.918 -3.983 3.899 1.00 42.10 C ATOM 1000 O ARG A 63 12.167 -3.513 4.763 1.00 22.33 O ATOM 1001 CB ARG A 63 14.505 -1.987 3.917 1.00 64.42 C ATOM 1002 CG ARG A 63 15.456 -2.568 4.988 1.00 72.51 C ATOM 1003 CD ARG A 63 16.133 -1.471 5.828 1.00 10.21 C ATOM 1004 NE ARG A 63 17.085 -2.028 6.806 1.00 22.34 N ATOM 1005 CZ ARG A 63 17.986 -1.344 7.471 1.00 54.23 C ATOM 1006 NH1 ARG A 63 18.120 -0.060 7.314 1.00 51.32 N ATOM 1007 NH2 ARG A 63 18.761 -1.963 8.297 1.00 24.53 N ATOM 0 H ARG A 63 11.974 -2.327 2.244 1.00 13.13 H new ATOM 0 HA ARG A 63 14.554 -3.641 2.539 1.00 73.15 H new ATOM 0 HB2 ARG A 63 15.075 -1.320 3.270 1.00 64.42 H new ATOM 0 HB3 ARG A 63 13.749 -1.379 4.415 1.00 64.42 H new ATOM 0 HG2 ARG A 63 14.895 -3.232 5.646 1.00 72.51 H new ATOM 0 HG3 ARG A 63 16.221 -3.173 4.501 1.00 72.51 H new ATOM 0 HD2 ARG A 63 16.656 -0.780 5.167 1.00 10.21 H new ATOM 0 HD3 ARG A 63 15.371 -0.895 6.353 1.00 10.21 H new ATOM 0 HE ARG A 63 17.039 -3.032 6.981 1.00 22.34 H new ATOM 0 HH11 ARG A 63 17.516 0.440 6.661 1.00 51.32 H new ATOM 0 HH12 ARG A 63 18.829 0.447 7.844 1.00 51.32 H new ATOM 0 HH21 ARG A 63 18.668 -2.971 8.426 1.00 24.53 H new ATOM 0 HH22 ARG A 63 19.466 -1.445 8.821 1.00 24.53 H new ATOM 1021 N ALA A 64 13.037 -5.308 3.640 1.00 25.41 N ATOM 1022 CA ALA A 64 12.286 -6.385 4.342 1.00 51.22 C ATOM 1023 C ALA A 64 10.740 -6.198 4.269 1.00 72.04 C ATOM 1024 O ALA A 64 10.070 -6.784 3.409 1.00 43.44 O ATOM 1025 CB ALA A 64 12.775 -6.535 5.802 1.00 62.40 C ATOM 0 H ALA A 64 13.669 -5.668 2.925 1.00 25.41 H new ATOM 0 HA ALA A 64 12.499 -7.314 3.813 1.00 51.22 H new ATOM 0 HB1 ALA A 64 12.212 -7.328 6.295 1.00 62.40 H new ATOM 0 HB2 ALA A 64 13.836 -6.787 5.806 1.00 62.40 H new ATOM 0 HB3 ALA A 64 12.623 -5.596 6.335 1.00 62.40 H new ATOM 1031 N TYR A 65 10.201 -5.355 5.168 1.00 71.03 N ATOM 1032 CA TYR A 65 8.756 -5.024 5.245 1.00 70.03 C ATOM 1033 C TYR A 65 8.549 -3.609 5.859 1.00 14.14 C ATOM 1034 O TYR A 65 7.426 -3.103 5.923 1.00 50.24 O ATOM 1035 CB TYR A 65 8.008 -6.104 6.081 1.00 11.35 C ATOM 1036 CG TYR A 65 8.276 -6.077 7.605 1.00 61.20 C ATOM 1037 CD1 TYR A 65 9.564 -6.220 8.131 1.00 42.04 C ATOM 1038 CD2 TYR A 65 7.232 -5.894 8.514 1.00 11.51 C ATOM 1039 CE1 TYR A 65 9.791 -6.184 9.497 1.00 53.30 C ATOM 1040 CE2 TYR A 65 7.455 -5.855 9.874 1.00 53.50 C ATOM 1041 CZ TYR A 65 8.730 -6.000 10.366 1.00 31.52 C ATOM 1042 OH TYR A 65 8.944 -5.963 11.732 1.00 51.44 O ATOM 0 H TYR A 65 10.760 -4.875 5.874 1.00 71.03 H new ATOM 0 HA TYR A 65 8.343 -5.016 4.236 1.00 70.03 H new ATOM 0 HB2 TYR A 65 6.937 -5.987 5.917 1.00 11.35 H new ATOM 0 HB3 TYR A 65 8.283 -7.087 5.700 1.00 11.35 H new ATOM 0 HD1 TYR A 65 10.398 -6.361 7.459 1.00 42.04 H new ATOM 0 HD2 TYR A 65 6.224 -5.780 8.142 1.00 11.51 H new ATOM 0 HE1 TYR A 65 10.793 -6.299 9.883 1.00 53.30 H new ATOM 0 HE2 TYR A 65 6.628 -5.710 10.553 1.00 53.50 H new ATOM 0 HH TYR A 65 8.090 -5.825 12.193 1.00 51.44 H new ATOM 1052 N SER A 66 9.663 -2.970 6.269 1.00 13.21 N ATOM 1053 CA SER A 66 9.662 -1.681 7.000 1.00 4.43 C ATOM 1054 C SER A 66 9.340 -0.473 6.088 1.00 33.25 C ATOM 1055 O SER A 66 9.070 0.612 6.599 1.00 60.25 O ATOM 1056 CB SER A 66 11.035 -1.476 7.682 1.00 65.34 C ATOM 1057 OG SER A 66 11.337 -2.546 8.577 1.00 62.23 O ATOM 0 H SER A 66 10.600 -3.336 6.101 1.00 13.21 H new ATOM 0 HA SER A 66 8.870 -1.731 7.747 1.00 4.43 H new ATOM 0 HB2 SER A 66 11.813 -1.405 6.922 1.00 65.34 H new ATOM 0 HB3 SER A 66 11.035 -0.532 8.228 1.00 65.34 H new ATOM 0 HG SER A 66 12.211 -2.389 8.991 1.00 62.23 H new ATOM 1063 N PHE A 67 9.383 -0.687 4.751 1.00 10.21 N ATOM 1064 CA PHE A 67 9.015 0.322 3.720 1.00 73.11 C ATOM 1065 C PHE A 67 9.159 -0.268 2.299 1.00 30.04 C ATOM 1066 O PHE A 67 10.042 -1.099 2.046 1.00 11.15 O ATOM 1067 CB PHE A 67 9.816 1.669 3.836 1.00 60.11 C ATOM 1068 CG PHE A 67 11.343 1.580 3.700 1.00 12.50 C ATOM 1069 CD1 PHE A 67 11.965 1.611 2.447 1.00 62.22 C ATOM 1070 CD2 PHE A 67 12.160 1.506 4.830 1.00 73.32 C ATOM 1071 CE1 PHE A 67 13.340 1.573 2.331 1.00 0.21 C ATOM 1072 CE2 PHE A 67 13.536 1.461 4.711 1.00 31.21 C ATOM 1073 CZ PHE A 67 14.125 1.499 3.461 1.00 32.13 C ATOM 0 H PHE A 67 9.678 -1.577 4.349 1.00 10.21 H new ATOM 0 HA PHE A 67 7.971 0.571 3.908 1.00 73.11 H new ATOM 0 HB2 PHE A 67 9.446 2.351 3.071 1.00 60.11 H new ATOM 0 HB3 PHE A 67 9.587 2.119 4.802 1.00 60.11 H new ATOM 0 HD1 PHE A 67 11.359 1.666 1.555 1.00 62.22 H new ATOM 0 HD2 PHE A 67 11.710 1.484 5.811 1.00 73.32 H new ATOM 0 HE1 PHE A 67 13.801 1.601 1.355 1.00 0.21 H new ATOM 0 HE2 PHE A 67 14.152 1.396 5.596 1.00 31.21 H new ATOM 0 HZ PHE A 67 15.201 1.471 3.370 1.00 32.13 H new ATOM 1083 N ILE A 68 8.257 0.145 1.395 1.00 15.21 N ATOM 1084 CA ILE A 68 8.375 -0.104 -0.056 1.00 23.04 C ATOM 1085 C ILE A 68 7.669 1.038 -0.830 1.00 15.22 C ATOM 1086 O ILE A 68 6.621 1.513 -0.405 1.00 44.31 O ATOM 1087 CB ILE A 68 7.798 -1.514 -0.486 1.00 42.43 C ATOM 1088 CG1 ILE A 68 8.084 -1.794 -2.001 1.00 61.05 C ATOM 1089 CG2 ILE A 68 6.289 -1.629 -0.163 1.00 44.13 C ATOM 1090 CD1 ILE A 68 7.620 -3.152 -2.505 1.00 10.34 C ATOM 0 H ILE A 68 7.418 0.666 1.649 1.00 15.21 H new ATOM 0 HA ILE A 68 9.436 -0.121 -0.305 1.00 23.04 H new ATOM 0 HB ILE A 68 8.311 -2.279 0.097 1.00 42.43 H new ATOM 0 HG12 ILE A 68 7.601 -1.019 -2.595 1.00 61.05 H new ATOM 0 HG13 ILE A 68 9.157 -1.706 -2.175 1.00 61.05 H new ATOM 0 HG21 ILE A 68 5.925 -2.609 -0.471 1.00 44.13 H new ATOM 0 HG22 ILE A 68 6.136 -1.505 0.909 1.00 44.13 H new ATOM 0 HG23 ILE A 68 5.742 -0.854 -0.699 1.00 44.13 H new ATOM 0 HD11 ILE A 68 7.863 -3.250 -3.563 1.00 10.34 H new ATOM 0 HD12 ILE A 68 8.122 -3.940 -1.943 1.00 10.34 H new ATOM 0 HD13 ILE A 68 6.542 -3.241 -2.371 1.00 10.34 H new ATOM 1102 N ARG A 69 8.266 1.508 -1.943 1.00 5.11 N ATOM 1103 CA ARG A 69 7.697 2.619 -2.753 1.00 73.31 C ATOM 1104 C ARG A 69 7.606 2.224 -4.244 1.00 20.23 C ATOM 1105 O ARG A 69 8.440 1.469 -4.735 1.00 3.34 O ATOM 1106 CB ARG A 69 8.551 3.920 -2.623 1.00 52.42 C ATOM 1107 CG ARG A 69 8.721 4.496 -1.193 1.00 1.41 C ATOM 1108 CD ARG A 69 9.933 3.928 -0.427 1.00 55.04 C ATOM 1109 NE ARG A 69 9.982 4.441 0.950 1.00 30.21 N ATOM 1110 CZ ARG A 69 11.058 4.803 1.618 1.00 31.54 C ATOM 1111 NH1 ARG A 69 12.244 4.756 1.094 1.00 23.12 N ATOM 1112 NH2 ARG A 69 10.924 5.226 2.826 1.00 20.43 N ATOM 0 H ARG A 69 9.144 1.139 -2.307 1.00 5.11 H new ATOM 0 HA ARG A 69 6.697 2.813 -2.365 1.00 73.31 H new ATOM 0 HB2 ARG A 69 9.542 3.720 -3.030 1.00 52.42 H new ATOM 0 HB3 ARG A 69 8.099 4.689 -3.249 1.00 52.42 H new ATOM 0 HG2 ARG A 69 8.821 5.579 -1.259 1.00 1.41 H new ATOM 0 HG3 ARG A 69 7.816 4.294 -0.621 1.00 1.41 H new ATOM 0 HD2 ARG A 69 9.878 2.840 -0.410 1.00 55.04 H new ATOM 0 HD3 ARG A 69 10.853 4.193 -0.949 1.00 55.04 H new ATOM 0 HE ARG A 69 9.091 4.525 1.439 1.00 30.21 H new ATOM 0 HH11 ARG A 69 12.365 4.431 0.135 1.00 23.12 H new ATOM 0 HH12 ARG A 69 13.055 5.044 1.641 1.00 23.12 H new ATOM 0 HH21 ARG A 69 9.997 5.276 3.249 1.00 20.43 H new ATOM 0 HH22 ARG A 69 11.745 5.511 3.360 1.00 20.43 H new ATOM 1126 N PHE A 70 6.580 2.742 -4.945 1.00 75.32 N ATOM 1127 CA PHE A 70 6.418 2.588 -6.421 1.00 51.31 C ATOM 1128 C PHE A 70 6.215 3.967 -7.080 1.00 32.02 C ATOM 1129 O PHE A 70 5.662 4.875 -6.457 1.00 1.25 O ATOM 1130 CB PHE A 70 5.209 1.676 -6.766 1.00 63.41 C ATOM 1131 CG PHE A 70 5.368 0.207 -6.386 1.00 72.14 C ATOM 1132 CD1 PHE A 70 5.265 -0.204 -5.059 1.00 11.15 C ATOM 1133 CD2 PHE A 70 5.611 -0.768 -7.361 1.00 2.33 C ATOM 1134 CE1 PHE A 70 5.405 -1.528 -4.719 1.00 54.21 C ATOM 1135 CE2 PHE A 70 5.745 -2.095 -7.015 1.00 12.45 C ATOM 1136 CZ PHE A 70 5.644 -2.474 -5.695 1.00 53.21 C ATOM 0 H PHE A 70 5.832 3.283 -4.511 1.00 75.32 H new ATOM 0 HA PHE A 70 7.326 2.123 -6.805 1.00 51.31 H new ATOM 0 HB2 PHE A 70 4.324 2.070 -6.265 1.00 63.41 H new ATOM 0 HB3 PHE A 70 5.023 1.738 -7.838 1.00 63.41 H new ATOM 0 HD1 PHE A 70 5.073 0.527 -4.288 1.00 11.15 H new ATOM 0 HD2 PHE A 70 5.694 -0.476 -8.397 1.00 2.33 H new ATOM 0 HE1 PHE A 70 5.328 -1.829 -3.685 1.00 54.21 H new ATOM 0 HE2 PHE A 70 5.929 -2.837 -7.778 1.00 12.45 H new ATOM 0 HZ PHE A 70 5.752 -3.514 -5.423 1.00 53.21 H new ATOM 1146 N HIS A 71 6.631 4.101 -8.353 1.00 62.41 N ATOM 1147 CA HIS A 71 6.517 5.365 -9.119 1.00 2.31 C ATOM 1148 C HIS A 71 5.988 5.111 -10.555 1.00 35.25 C ATOM 1149 O HIS A 71 6.294 4.084 -11.167 1.00 22.42 O ATOM 1150 CB HIS A 71 7.897 6.081 -9.175 1.00 64.30 C ATOM 1151 CG HIS A 71 7.848 7.454 -9.798 1.00 45.33 C ATOM 1152 ND1 HIS A 71 8.107 7.694 -11.132 1.00 33.41 N ATOM 1153 CD2 HIS A 71 7.532 8.658 -9.265 1.00 41.12 C ATOM 1154 CE1 HIS A 71 7.950 8.978 -11.386 1.00 53.55 C ATOM 1155 NE2 HIS A 71 7.600 9.581 -10.276 1.00 10.14 N ATOM 0 H HIS A 71 7.056 3.340 -8.883 1.00 62.41 H new ATOM 0 HA HIS A 71 5.799 6.006 -8.606 1.00 2.31 H new ATOM 0 HB2 HIS A 71 8.293 6.166 -8.163 1.00 64.30 H new ATOM 0 HB3 HIS A 71 8.594 5.461 -9.739 1.00 64.30 H new ATOM 0 HD2 HIS A 71 7.274 8.854 -8.235 1.00 41.12 H new ATOM 0 HE1 HIS A 71 8.087 9.453 -12.346 1.00 53.55 H new ATOM 0 HE2 HIS A 71 7.409 10.578 -10.180 1.00 10.14 H new ATOM 1164 N TRP A 72 5.181 6.063 -11.060 1.00 23.33 N ATOM 1165 CA TRP A 72 4.673 6.082 -12.455 1.00 44.33 C ATOM 1166 C TRP A 72 5.819 6.118 -13.512 1.00 71.41 C ATOM 1167 O TRP A 72 6.538 7.113 -13.619 1.00 62.43 O ATOM 1168 CB TRP A 72 3.747 7.322 -12.647 1.00 45.13 C ATOM 1169 CG TRP A 72 2.320 7.168 -12.153 1.00 12.35 C ATOM 1170 CD1 TRP A 72 1.200 7.217 -12.926 1.00 55.24 C ATOM 1171 CD2 TRP A 72 1.853 6.956 -10.804 1.00 52.34 C ATOM 1172 NE1 TRP A 72 0.080 7.051 -12.164 1.00 53.55 N ATOM 1173 CE2 TRP A 72 0.448 6.888 -10.857 1.00 34.05 C ATOM 1174 CE3 TRP A 72 2.476 6.816 -9.565 1.00 70.54 C ATOM 1175 CZ2 TRP A 72 -0.339 6.689 -9.722 1.00 30.41 C ATOM 1176 CZ3 TRP A 72 1.703 6.621 -8.440 1.00 1.12 C ATOM 1177 CH2 TRP A 72 0.308 6.557 -8.523 1.00 41.15 C ATOM 0 H TRP A 72 4.856 6.855 -10.506 1.00 23.33 H new ATOM 0 HA TRP A 72 4.118 5.157 -12.614 1.00 44.33 H new ATOM 0 HB2 TRP A 72 4.199 8.171 -12.134 1.00 45.13 H new ATOM 0 HB3 TRP A 72 3.719 7.569 -13.708 1.00 45.13 H new ATOM 0 HD1 TRP A 72 1.198 7.367 -13.996 1.00 55.24 H new ATOM 0 HE1 TRP A 72 -0.878 7.049 -12.513 1.00 53.55 H new ATOM 0 HE3 TRP A 72 3.552 6.860 -9.487 1.00 70.54 H new ATOM 0 HZ2 TRP A 72 -1.416 6.641 -9.787 1.00 30.41 H new ATOM 0 HZ3 TRP A 72 2.183 6.516 -7.478 1.00 1.12 H new ATOM 0 HH2 TRP A 72 -0.269 6.400 -7.624 1.00 41.15 H new ATOM 1188 N LEU A 73 6.000 5.005 -14.256 1.00 11.10 N ATOM 1189 CA LEU A 73 6.850 4.966 -15.472 1.00 4.44 C ATOM 1190 C LEU A 73 5.990 5.187 -16.745 1.00 12.33 C ATOM 1191 O LEU A 73 6.385 5.938 -17.651 1.00 43.21 O ATOM 1192 CB LEU A 73 7.642 3.619 -15.542 1.00 22.30 C ATOM 1193 CG LEU A 73 9.031 3.579 -14.817 1.00 61.30 C ATOM 1194 CD1 LEU A 73 10.064 4.476 -15.534 1.00 55.22 C ATOM 1195 CD2 LEU A 73 8.918 3.956 -13.322 1.00 13.43 C ATOM 0 H LEU A 73 5.564 4.110 -14.034 1.00 11.10 H new ATOM 0 HA LEU A 73 7.576 5.777 -15.419 1.00 4.44 H new ATOM 0 HB2 LEU A 73 7.015 2.834 -15.119 1.00 22.30 H new ATOM 0 HB3 LEU A 73 7.799 3.371 -16.592 1.00 22.30 H new ATOM 0 HG LEU A 73 9.383 2.549 -14.866 1.00 61.30 H new ATOM 0 HD11 LEU A 73 11.017 4.427 -15.007 1.00 55.22 H new ATOM 0 HD12 LEU A 73 10.198 4.129 -16.559 1.00 55.22 H new ATOM 0 HD13 LEU A 73 9.707 5.506 -15.543 1.00 55.22 H new ATOM 0 HD21 LEU A 73 9.905 3.915 -12.861 1.00 13.43 H new ATOM 0 HD22 LEU A 73 8.517 4.965 -13.231 1.00 13.43 H new ATOM 0 HD23 LEU A 73 8.253 3.254 -12.819 1.00 13.43 H new ATOM 1311 N TYR A 81 4.111 9.156 -6.201 1.00 55.24 N ATOM 1312 CA TYR A 81 4.669 7.867 -5.738 1.00 75.31 C ATOM 1313 C TYR A 81 3.888 7.436 -4.469 1.00 52.12 C ATOM 1314 O TYR A 81 3.503 8.292 -3.661 1.00 31.21 O ATOM 1315 CB TYR A 81 6.217 7.938 -5.469 1.00 12.12 C ATOM 1316 CG TYR A 81 6.662 8.615 -4.151 1.00 70.24 C ATOM 1317 CD1 TYR A 81 6.810 7.873 -2.962 1.00 61.44 C ATOM 1318 CD2 TYR A 81 6.936 9.986 -4.092 1.00 43.43 C ATOM 1319 CE1 TYR A 81 7.204 8.474 -1.780 1.00 3.45 C ATOM 1320 CE2 TYR A 81 7.333 10.587 -2.908 1.00 73.51 C ATOM 1321 CZ TYR A 81 7.465 9.828 -1.757 1.00 51.04 C ATOM 1322 OH TYR A 81 7.854 10.428 -0.576 1.00 52.20 O ATOM 0 HA TYR A 81 4.549 7.123 -6.525 1.00 75.31 H new ATOM 0 HB2 TYR A 81 6.611 6.922 -5.480 1.00 12.12 H new ATOM 0 HB3 TYR A 81 6.683 8.470 -6.299 1.00 12.12 H new ATOM 0 HD1 TYR A 81 6.611 6.811 -2.974 1.00 61.44 H new ATOM 0 HD2 TYR A 81 6.836 10.586 -4.984 1.00 43.43 H new ATOM 0 HE1 TYR A 81 7.307 7.886 -0.880 1.00 3.45 H new ATOM 0 HE2 TYR A 81 7.539 11.647 -2.883 1.00 73.51 H new ATOM 0 HH TYR A 81 8.000 11.385 -0.728 1.00 52.20 H new ATOM 1332 N PHE A 82 3.644 6.126 -4.294 1.00 63.21 N ATOM 1333 CA PHE A 82 2.933 5.600 -3.100 1.00 73.25 C ATOM 1334 C PHE A 82 3.831 4.625 -2.304 1.00 65.22 C ATOM 1335 O PHE A 82 4.464 3.727 -2.872 1.00 15.34 O ATOM 1336 CB PHE A 82 1.562 4.960 -3.489 1.00 52.33 C ATOM 1337 CG PHE A 82 1.610 3.816 -4.513 1.00 14.20 C ATOM 1338 CD1 PHE A 82 1.640 4.080 -5.886 1.00 74.10 C ATOM 1339 CD2 PHE A 82 1.595 2.481 -4.108 1.00 42.41 C ATOM 1340 CE1 PHE A 82 1.659 3.050 -6.812 1.00 3.12 C ATOM 1341 CE2 PHE A 82 1.610 1.451 -5.033 1.00 71.13 C ATOM 1342 CZ PHE A 82 1.642 1.736 -6.385 1.00 1.41 C ATOM 0 H PHE A 82 3.926 5.407 -4.960 1.00 63.21 H new ATOM 0 HA PHE A 82 2.711 6.440 -2.442 1.00 73.25 H new ATOM 0 HB2 PHE A 82 1.089 4.586 -2.581 1.00 52.33 H new ATOM 0 HB3 PHE A 82 0.918 5.746 -3.884 1.00 52.33 H new ATOM 0 HD1 PHE A 82 1.648 5.104 -6.230 1.00 74.10 H new ATOM 0 HD2 PHE A 82 1.571 2.247 -3.054 1.00 42.41 H new ATOM 0 HE1 PHE A 82 1.687 3.274 -7.868 1.00 3.12 H new ATOM 0 HE2 PHE A 82 1.597 0.424 -4.698 1.00 71.13 H new ATOM 0 HZ PHE A 82 1.654 0.933 -7.107 1.00 1.41 H new ATOM 1352 N GLU A 83 3.904 4.854 -0.984 1.00 10.43 N ATOM 1353 CA GLU A 83 4.690 4.040 -0.039 1.00 4.33 C ATOM 1354 C GLU A 83 3.762 3.214 0.874 1.00 55.12 C ATOM 1355 O GLU A 83 2.729 3.701 1.338 1.00 51.21 O ATOM 1356 CB GLU A 83 5.581 4.971 0.832 1.00 62.15 C ATOM 1357 CG GLU A 83 6.411 4.262 1.933 1.00 4.30 C ATOM 1358 CD GLU A 83 6.992 5.241 2.970 1.00 30.53 C ATOM 1359 OE1 GLU A 83 8.081 5.800 2.739 1.00 75.24 O ATOM 1360 OE2 GLU A 83 6.353 5.461 4.015 1.00 14.43 O ATOM 0 H GLU A 83 3.410 5.624 -0.533 1.00 10.43 H new ATOM 0 HA GLU A 83 5.317 3.354 -0.609 1.00 4.33 H new ATOM 0 HB2 GLU A 83 6.265 5.509 0.175 1.00 62.15 H new ATOM 0 HB3 GLU A 83 4.943 5.716 1.306 1.00 62.15 H new ATOM 0 HG2 GLU A 83 5.781 3.533 2.442 1.00 4.30 H new ATOM 0 HG3 GLU A 83 7.226 3.709 1.467 1.00 4.30 H new ATOM 1367 N ILE A 84 4.148 1.953 1.113 1.00 51.45 N ATOM 1368 CA ILE A 84 3.498 1.072 2.089 1.00 44.32 C ATOM 1369 C ILE A 84 4.583 0.540 3.052 1.00 61.14 C ATOM 1370 O ILE A 84 5.548 -0.101 2.625 1.00 54.54 O ATOM 1371 CB ILE A 84 2.737 -0.147 1.426 1.00 43.32 C ATOM 1372 CG1 ILE A 84 1.684 0.313 0.346 1.00 73.42 C ATOM 1373 CG2 ILE A 84 2.060 -1.010 2.520 1.00 62.43 C ATOM 1374 CD1 ILE A 84 2.251 0.618 -1.030 1.00 1.34 C ATOM 0 H ILE A 84 4.930 1.512 0.628 1.00 51.45 H new ATOM 0 HA ILE A 84 2.742 1.657 2.614 1.00 44.32 H new ATOM 0 HB ILE A 84 3.480 -0.748 0.902 1.00 43.32 H new ATOM 0 HG12 ILE A 84 0.929 -0.467 0.244 1.00 73.42 H new ATOM 0 HG13 ILE A 84 1.175 1.203 0.716 1.00 73.42 H new ATOM 0 HG21 ILE A 84 1.539 -1.846 2.053 1.00 62.43 H new ATOM 0 HG22 ILE A 84 2.818 -1.391 3.204 1.00 62.43 H new ATOM 0 HG23 ILE A 84 1.345 -0.401 3.074 1.00 62.43 H new ATOM 0 HD11 ILE A 84 1.445 0.925 -1.696 1.00 1.34 H new ATOM 0 HD12 ILE A 84 2.983 1.422 -0.952 1.00 1.34 H new ATOM 0 HD13 ILE A 84 2.733 -0.274 -1.431 1.00 1.34 H new ATOM 1386 N LYS A 85 4.442 0.851 4.334 1.00 51.53 N ATOM 1387 CA LYS A 85 5.313 0.337 5.409 1.00 2.55 C ATOM 1388 C LYS A 85 4.456 -0.425 6.438 1.00 71.13 C ATOM 1389 O LYS A 85 3.289 -0.092 6.654 1.00 23.14 O ATOM 1390 CB LYS A 85 6.096 1.513 6.067 1.00 40.31 C ATOM 1391 CG LYS A 85 5.254 2.780 6.308 1.00 4.42 C ATOM 1392 CD LYS A 85 6.001 3.925 7.024 1.00 61.11 C ATOM 1393 CE LYS A 85 6.303 3.627 8.502 1.00 44.12 C ATOM 1394 NZ LYS A 85 6.708 4.853 9.235 1.00 51.22 N ATOM 0 H LYS A 85 3.711 1.477 4.672 1.00 51.53 H new ATOM 0 HA LYS A 85 6.047 -0.356 4.997 1.00 2.55 H new ATOM 0 HB2 LYS A 85 6.503 1.175 7.020 1.00 40.31 H new ATOM 0 HB3 LYS A 85 6.944 1.770 5.432 1.00 40.31 H new ATOM 0 HG2 LYS A 85 4.891 3.146 5.348 1.00 4.42 H new ATOM 0 HG3 LYS A 85 4.378 2.511 6.899 1.00 4.42 H new ATOM 0 HD2 LYS A 85 6.938 4.120 6.502 1.00 61.11 H new ATOM 0 HD3 LYS A 85 5.404 4.835 6.959 1.00 61.11 H new ATOM 0 HE2 LYS A 85 5.421 3.195 8.974 1.00 44.12 H new ATOM 0 HE3 LYS A 85 7.097 2.883 8.569 1.00 44.12 H new ATOM 0 HZ1 LYS A 85 6.920 4.612 10.224 1.00 51.22 H new ATOM 0 HZ2 LYS A 85 7.554 5.261 8.789 1.00 51.22 H new ATOM 0 HZ3 LYS A 85 5.933 5.546 9.206 1.00 51.22 H new ATOM 1408 N MET A 86 5.038 -1.457 7.061 1.00 25.00 N ATOM 1409 CA MET A 86 4.370 -2.245 8.110 1.00 45.35 C ATOM 1410 C MET A 86 5.388 -2.628 9.191 1.00 64.23 C ATOM 1411 O MET A 86 6.573 -2.834 8.906 1.00 10.32 O ATOM 1412 CB MET A 86 3.625 -3.476 7.505 1.00 60.24 C ATOM 1413 CG MET A 86 4.461 -4.407 6.598 1.00 71.03 C ATOM 1414 SD MET A 86 3.531 -5.048 5.175 1.00 0.42 S ATOM 1415 CE MET A 86 2.022 -5.667 5.925 1.00 74.45 C ATOM 0 H MET A 86 5.986 -1.771 6.854 1.00 25.00 H new ATOM 0 HA MET A 86 3.599 -1.639 8.586 1.00 45.35 H new ATOM 0 HB2 MET A 86 3.223 -4.070 8.326 1.00 60.24 H new ATOM 0 HB3 MET A 86 2.774 -3.111 6.929 1.00 60.24 H new ATOM 0 HG2 MET A 86 5.334 -3.863 6.238 1.00 71.03 H new ATOM 0 HG3 MET A 86 4.829 -5.245 7.190 1.00 71.03 H new ATOM 0 HE1 MET A 86 1.927 -6.734 5.724 1.00 74.45 H new ATOM 0 HE2 MET A 86 2.057 -5.502 7.002 1.00 74.45 H new ATOM 0 HE3 MET A 86 1.165 -5.141 5.505 1.00 74.45 H new ATOM 1425 N SER A 87 4.928 -2.658 10.444 1.00 13.51 N ATOM 1426 CA SER A 87 5.796 -2.860 11.631 1.00 10.40 C ATOM 1427 C SER A 87 5.086 -3.739 12.670 1.00 42.54 C ATOM 1428 O SER A 87 3.861 -3.762 12.727 1.00 54.23 O ATOM 1429 CB SER A 87 6.184 -1.493 12.251 1.00 10.03 C ATOM 1430 OG SER A 87 6.915 -0.682 11.332 1.00 51.50 O ATOM 0 H SER A 87 3.941 -2.544 10.676 1.00 13.51 H new ATOM 0 HA SER A 87 6.707 -3.369 11.314 1.00 10.40 H new ATOM 0 HB2 SER A 87 5.282 -0.966 12.563 1.00 10.03 H new ATOM 0 HB3 SER A 87 6.783 -1.657 13.147 1.00 10.03 H new ATOM 0 HG SER A 87 7.141 0.172 11.757 1.00 51.50 H new ATOM 1436 N TYR A 88 5.856 -4.465 13.487 1.00 13.34 N ATOM 1437 CA TYR A 88 5.302 -5.417 14.476 1.00 33.50 C ATOM 1438 C TYR A 88 5.575 -4.966 15.932 1.00 53.14 C ATOM 1439 O TYR A 88 6.683 -4.538 16.265 1.00 64.00 O ATOM 1440 CB TYR A 88 5.900 -6.822 14.215 1.00 4.25 C ATOM 1441 CG TYR A 88 5.422 -7.905 15.192 1.00 72.24 C ATOM 1442 CD1 TYR A 88 4.075 -8.262 15.259 1.00 73.11 C ATOM 1443 CD2 TYR A 88 6.305 -8.561 16.056 1.00 40.52 C ATOM 1444 CE1 TYR A 88 3.635 -9.216 16.143 1.00 51.02 C ATOM 1445 CE2 TYR A 88 5.859 -9.524 16.940 1.00 24.51 C ATOM 1446 CZ TYR A 88 4.523 -9.846 16.980 1.00 13.35 C ATOM 1447 OH TYR A 88 4.070 -10.799 17.860 1.00 73.52 O ATOM 0 H TYR A 88 6.875 -4.416 13.488 1.00 13.34 H new ATOM 0 HA TYR A 88 4.219 -5.449 14.356 1.00 33.50 H new ATOM 0 HB2 TYR A 88 5.647 -7.128 13.200 1.00 4.25 H new ATOM 0 HB3 TYR A 88 6.987 -6.757 14.267 1.00 4.25 H new ATOM 0 HD1 TYR A 88 3.365 -7.779 14.604 1.00 73.11 H new ATOM 0 HD2 TYR A 88 7.355 -8.310 16.031 1.00 40.52 H new ATOM 0 HE1 TYR A 88 2.586 -9.472 16.180 1.00 51.02 H new ATOM 0 HE2 TYR A 88 6.557 -10.022 17.597 1.00 24.51 H new ATOM 0 HH TYR A 88 4.824 -11.149 18.380 1.00 73.52 H new ATOM 1457 N ASN A 89 4.543 -5.081 16.794 1.00 14.01 N ATOM 1458 CA ASN A 89 4.683 -4.919 18.260 1.00 64.44 C ATOM 1459 C ASN A 89 4.614 -6.300 18.959 1.00 50.11 C ATOM 1460 O ASN A 89 3.699 -7.088 18.712 1.00 4.42 O ATOM 1461 CB ASN A 89 3.600 -3.964 18.838 1.00 32.02 C ATOM 1462 CG ASN A 89 2.174 -4.361 18.468 1.00 2.24 C ATOM 1463 OD1 ASN A 89 1.561 -5.187 19.130 1.00 50.45 O ATOM 1464 ND2 ASN A 89 1.630 -3.763 17.424 1.00 60.12 N ATOM 0 H ASN A 89 3.590 -5.288 16.496 1.00 14.01 H new ATOM 0 HA ASN A 89 5.656 -4.468 18.454 1.00 64.44 H new ATOM 0 HB2 ASN A 89 3.691 -3.940 19.924 1.00 32.02 H new ATOM 0 HB3 ASN A 89 3.791 -2.952 18.480 1.00 32.02 H new ATOM 0 HD21 ASN A 89 0.673 -3.986 17.150 1.00 60.12 H new ATOM 0 HD22 ASN A 89 2.167 -3.078 16.892 1.00 60.12 H new ATOM 1471 N GLU A 90 5.592 -6.581 19.836 1.00 41.23 N ATOM 1472 CA GLU A 90 5.614 -7.804 20.680 1.00 5.43 C ATOM 1473 C GLU A 90 4.787 -7.620 21.985 1.00 22.24 C ATOM 1474 O GLU A 90 4.735 -8.523 22.830 1.00 43.41 O ATOM 1475 CB GLU A 90 7.084 -8.184 21.005 1.00 5.04 C ATOM 1476 CG GLU A 90 7.933 -8.493 19.757 1.00 64.53 C ATOM 1477 CD GLU A 90 9.369 -8.930 20.087 1.00 11.14 C ATOM 1478 OE1 GLU A 90 9.579 -10.122 20.399 1.00 75.01 O ATOM 1479 OE2 GLU A 90 10.292 -8.090 20.038 1.00 64.42 O ATOM 0 H GLU A 90 6.395 -5.970 19.986 1.00 41.23 H new ATOM 0 HA GLU A 90 5.148 -8.615 20.121 1.00 5.43 H new ATOM 0 HB2 GLU A 90 7.548 -7.366 21.556 1.00 5.04 H new ATOM 0 HB3 GLU A 90 7.089 -9.054 21.662 1.00 5.04 H new ATOM 0 HG2 GLU A 90 7.445 -9.279 19.181 1.00 64.53 H new ATOM 0 HG3 GLU A 90 7.968 -7.608 19.122 1.00 64.53 H new ATOM 1486 N LEU A 91 4.132 -6.449 22.121 1.00 64.13 N ATOM 1487 CA LEU A 91 3.278 -6.113 23.275 1.00 22.03 C ATOM 1488 C LEU A 91 1.913 -6.829 23.179 1.00 43.31 C ATOM 1489 O LEU A 91 1.522 -7.573 24.084 1.00 13.44 O ATOM 1490 CB LEU A 91 3.081 -4.572 23.353 1.00 20.33 C ATOM 1491 CG LEU A 91 4.385 -3.729 23.532 1.00 3.41 C ATOM 1492 CD1 LEU A 91 4.078 -2.218 23.559 1.00 34.32 C ATOM 1493 CD2 LEU A 91 5.163 -4.171 24.793 1.00 72.01 C ATOM 0 H LEU A 91 4.182 -5.704 21.426 1.00 64.13 H new ATOM 0 HA LEU A 91 3.772 -6.455 24.185 1.00 22.03 H new ATOM 0 HB2 LEU A 91 2.579 -4.242 22.443 1.00 20.33 H new ATOM 0 HB3 LEU A 91 2.411 -4.352 24.184 1.00 20.33 H new ATOM 0 HG LEU A 91 5.023 -3.915 22.668 1.00 3.41 H new ATOM 0 HD11 LEU A 91 5.006 -1.660 23.685 1.00 34.32 H new ATOM 0 HD12 LEU A 91 3.603 -1.926 22.622 1.00 34.32 H new ATOM 0 HD13 LEU A 91 3.407 -1.998 24.389 1.00 34.32 H new ATOM 0 HD21 LEU A 91 6.066 -3.568 24.893 1.00 72.01 H new ATOM 0 HD22 LEU A 91 4.536 -4.035 25.674 1.00 72.01 H new ATOM 0 HD23 LEU A 91 5.437 -5.222 24.702 1.00 72.01 H new ATOM 1505 N THR A 92 1.210 -6.622 22.051 1.00 5.34 N ATOM 1506 CA THR A 92 -0.157 -7.170 21.833 1.00 11.55 C ATOM 1507 C THR A 92 -0.249 -7.980 20.513 1.00 30.30 C ATOM 1508 O THR A 92 -1.317 -8.493 20.157 1.00 31.04 O ATOM 1509 CB THR A 92 -1.245 -6.027 21.904 1.00 71.44 C ATOM 1510 OG1 THR A 92 -2.555 -6.535 21.587 1.00 3.23 O ATOM 1511 CG2 THR A 92 -0.917 -4.833 20.990 1.00 30.01 C ATOM 0 H THR A 92 1.563 -6.075 21.265 1.00 5.34 H new ATOM 0 HA THR A 92 -0.366 -7.869 22.643 1.00 11.55 H new ATOM 0 HB THR A 92 -1.236 -5.667 22.933 1.00 71.44 H new ATOM 0 HG1 THR A 92 -2.468 -7.365 21.073 1.00 3.23 H new ATOM 0 HG21 THR A 92 -1.699 -4.080 21.081 1.00 30.01 H new ATOM 0 HG22 THR A 92 0.039 -4.401 21.285 1.00 30.01 H new ATOM 0 HG23 THR A 92 -0.858 -5.172 19.956 1.00 30.01 H new ATOM 1519 N GLY A 93 0.898 -8.123 19.815 1.00 74.42 N ATOM 1520 CA GLY A 93 1.024 -9.046 18.675 1.00 24.43 C ATOM 1521 C GLY A 93 0.436 -8.543 17.357 1.00 70.14 C ATOM 1522 O GLY A 93 0.245 -9.337 16.430 1.00 42.33 O ATOM 0 H GLY A 93 1.752 -7.606 20.025 1.00 74.42 H new ATOM 0 HA2 GLY A 93 2.081 -9.265 18.522 1.00 24.43 H new ATOM 0 HA3 GLY A 93 0.538 -9.986 18.935 1.00 24.43 H new ATOM 1526 N ASP A 94 0.202 -7.225 17.246 1.00 62.32 N ATOM 1527 CA ASP A 94 -0.473 -6.637 16.069 1.00 60.44 C ATOM 1528 C ASP A 94 0.537 -5.944 15.118 1.00 35.10 C ATOM 1529 O ASP A 94 1.724 -5.793 15.443 1.00 4.44 O ATOM 1530 CB ASP A 94 -1.571 -5.642 16.536 1.00 10.14 C ATOM 1531 CG ASP A 94 -2.589 -6.263 17.521 1.00 33.30 C ATOM 1532 OD1 ASP A 94 -2.982 -7.435 17.343 1.00 4.01 O ATOM 1533 OD2 ASP A 94 -2.992 -5.580 18.489 1.00 63.33 O ATOM 0 H ASP A 94 0.469 -6.543 17.956 1.00 62.32 H new ATOM 0 HA ASP A 94 -0.942 -7.443 15.504 1.00 60.44 H new ATOM 0 HB2 ASP A 94 -1.095 -4.785 17.011 1.00 10.14 H new ATOM 0 HB3 ASP A 94 -2.105 -5.267 15.663 1.00 10.14 H new ATOM 1538 N TYR A 95 0.050 -5.534 13.933 1.00 43.12 N ATOM 1539 CA TYR A 95 0.858 -4.819 12.918 1.00 1.32 C ATOM 1540 C TYR A 95 0.390 -3.352 12.745 1.00 13.31 C ATOM 1541 O TYR A 95 -0.799 -3.079 12.548 1.00 71.54 O ATOM 1542 CB TYR A 95 0.811 -5.575 11.542 1.00 41.40 C ATOM 1543 CG TYR A 95 2.012 -6.504 11.291 1.00 52.44 C ATOM 1544 CD1 TYR A 95 2.183 -7.686 12.014 1.00 20.11 C ATOM 1545 CD2 TYR A 95 2.981 -6.186 10.329 1.00 44.04 C ATOM 1546 CE1 TYR A 95 3.273 -8.511 11.790 1.00 12.43 C ATOM 1547 CE2 TYR A 95 4.066 -7.007 10.103 1.00 30.41 C ATOM 1548 CZ TYR A 95 4.211 -8.168 10.834 1.00 23.33 C ATOM 1549 OH TYR A 95 5.298 -8.991 10.606 1.00 71.04 O ATOM 0 H TYR A 95 -0.917 -5.688 13.648 1.00 43.12 H new ATOM 0 HA TYR A 95 1.888 -4.799 13.273 1.00 1.32 H new ATOM 0 HB2 TYR A 95 -0.105 -6.163 11.495 1.00 41.40 H new ATOM 0 HB3 TYR A 95 0.760 -4.841 10.738 1.00 41.40 H new ATOM 0 HD1 TYR A 95 1.453 -7.962 12.761 1.00 20.11 H new ATOM 0 HD2 TYR A 95 2.876 -5.279 9.753 1.00 44.04 H new ATOM 0 HE1 TYR A 95 3.390 -9.420 12.361 1.00 12.43 H new ATOM 0 HE2 TYR A 95 4.800 -6.742 9.356 1.00 30.41 H new ATOM 0 HH TYR A 95 5.859 -8.604 9.902 1.00 71.04 H new ATOM 1559 N VAL A 96 1.363 -2.424 12.818 1.00 65.11 N ATOM 1560 CA VAL A 96 1.196 -1.010 12.449 1.00 15.20 C ATOM 1561 C VAL A 96 1.371 -0.854 10.918 1.00 61.45 C ATOM 1562 O VAL A 96 2.497 -0.868 10.410 1.00 45.24 O ATOM 1563 CB VAL A 96 2.251 -0.109 13.208 1.00 25.33 C ATOM 1564 CG1 VAL A 96 2.059 1.392 12.868 1.00 53.43 C ATOM 1565 CG2 VAL A 96 2.193 -0.355 14.740 1.00 41.32 C ATOM 0 H VAL A 96 2.305 -2.643 13.142 1.00 65.11 H new ATOM 0 HA VAL A 96 0.196 -0.685 12.737 1.00 15.20 H new ATOM 0 HB VAL A 96 3.244 -0.396 12.863 1.00 25.33 H new ATOM 0 HG11 VAL A 96 2.799 1.984 13.406 1.00 53.43 H new ATOM 0 HG12 VAL A 96 2.184 1.541 11.796 1.00 53.43 H new ATOM 0 HG13 VAL A 96 1.058 1.707 13.164 1.00 53.43 H new ATOM 0 HG21 VAL A 96 2.928 0.277 15.238 1.00 41.32 H new ATOM 0 HG22 VAL A 96 1.197 -0.113 15.110 1.00 41.32 H new ATOM 0 HG23 VAL A 96 2.413 -1.402 14.949 1.00 41.32 H new ATOM 1575 N LEU A 97 0.255 -0.766 10.191 1.00 53.42 N ATOM 1576 CA LEU A 97 0.252 -0.648 8.718 1.00 23.42 C ATOM 1577 C LEU A 97 0.027 0.817 8.295 1.00 71.10 C ATOM 1578 O LEU A 97 -1.081 1.333 8.401 1.00 55.54 O ATOM 1579 CB LEU A 97 -0.851 -1.556 8.133 1.00 64.24 C ATOM 1580 CG LEU A 97 -0.906 -1.647 6.579 1.00 53.10 C ATOM 1581 CD1 LEU A 97 0.412 -2.204 5.997 1.00 73.44 C ATOM 1582 CD2 LEU A 97 -2.128 -2.463 6.109 1.00 65.00 C ATOM 0 H LEU A 97 -0.679 -0.774 10.602 1.00 53.42 H new ATOM 0 HA LEU A 97 1.220 -0.966 8.331 1.00 23.42 H new ATOM 0 HB2 LEU A 97 -0.716 -2.561 8.532 1.00 64.24 H new ATOM 0 HB3 LEU A 97 -1.816 -1.198 8.491 1.00 64.24 H new ATOM 0 HG LEU A 97 -1.024 -0.634 6.194 1.00 53.10 H new ATOM 0 HD11 LEU A 97 0.338 -2.254 4.911 1.00 73.44 H new ATOM 0 HD12 LEU A 97 1.238 -1.549 6.275 1.00 73.44 H new ATOM 0 HD13 LEU A 97 0.592 -3.203 6.394 1.00 73.44 H new ATOM 0 HD21 LEU A 97 -2.138 -2.508 5.020 1.00 65.00 H new ATOM 0 HD22 LEU A 97 -2.068 -3.473 6.514 1.00 65.00 H new ATOM 0 HD23 LEU A 97 -3.042 -1.985 6.461 1.00 65.00 H new ATOM 1594 N GLU A 98 1.070 1.458 7.769 1.00 54.43 N ATOM 1595 CA GLU A 98 1.067 2.911 7.519 1.00 32.32 C ATOM 1596 C GLU A 98 1.262 3.181 6.003 1.00 64.42 C ATOM 1597 O GLU A 98 2.335 2.944 5.454 1.00 12.41 O ATOM 1598 CB GLU A 98 2.179 3.584 8.388 1.00 43.12 C ATOM 1599 CG GLU A 98 1.973 5.087 8.643 1.00 41.43 C ATOM 1600 CD GLU A 98 3.141 5.744 9.403 1.00 10.13 C ATOM 1601 OE1 GLU A 98 3.136 5.738 10.650 1.00 14.02 O ATOM 1602 OE2 GLU A 98 4.077 6.253 8.751 1.00 22.35 O ATOM 0 H GLU A 98 1.939 0.994 7.503 1.00 54.43 H new ATOM 0 HA GLU A 98 0.110 3.346 7.806 1.00 32.32 H new ATOM 0 HB2 GLU A 98 2.232 3.070 9.348 1.00 43.12 H new ATOM 0 HB3 GLU A 98 3.141 3.441 7.897 1.00 43.12 H new ATOM 0 HG2 GLU A 98 1.839 5.595 7.688 1.00 41.43 H new ATOM 0 HG3 GLU A 98 1.054 5.229 9.211 1.00 41.43 H new ATOM 1609 N ILE A 99 0.193 3.622 5.317 1.00 42.33 N ATOM 1610 CA ILE A 99 0.225 3.902 3.858 1.00 54.44 C ATOM 1611 C ILE A 99 0.475 5.415 3.612 1.00 64.04 C ATOM 1612 O ILE A 99 -0.369 6.249 3.939 1.00 73.21 O ATOM 1613 CB ILE A 99 -1.125 3.441 3.140 1.00 43.44 C ATOM 1614 CG1 ILE A 99 -1.256 1.878 3.049 1.00 71.42 C ATOM 1615 CG2 ILE A 99 -1.267 4.052 1.715 1.00 32.53 C ATOM 1616 CD1 ILE A 99 -1.385 1.146 4.359 1.00 54.25 C ATOM 0 H ILE A 99 -0.715 3.796 5.748 1.00 42.33 H new ATOM 0 HA ILE A 99 1.043 3.326 3.425 1.00 54.44 H new ATOM 0 HB ILE A 99 -1.931 3.818 3.769 1.00 43.44 H new ATOM 0 HG12 ILE A 99 -2.126 1.642 2.437 1.00 71.42 H new ATOM 0 HG13 ILE A 99 -0.383 1.491 2.524 1.00 71.42 H new ATOM 0 HG21 ILE A 99 -2.199 3.712 1.264 1.00 32.53 H new ATOM 0 HG22 ILE A 99 -1.274 5.140 1.785 1.00 32.53 H new ATOM 0 HG23 ILE A 99 -0.428 3.733 1.097 1.00 32.53 H new ATOM 0 HD11 ILE A 99 -1.468 0.076 4.171 1.00 54.25 H new ATOM 0 HD12 ILE A 99 -0.505 1.339 4.972 1.00 54.25 H new ATOM 0 HD13 ILE A 99 -2.275 1.493 4.883 1.00 54.25 H new ATOM 1628 N THR A 100 1.627 5.749 3.017 1.00 2.22 N ATOM 1629 CA THR A 100 1.975 7.131 2.629 1.00 41.34 C ATOM 1630 C THR A 100 1.508 7.405 1.181 1.00 12.14 C ATOM 1631 O THR A 100 2.088 6.888 0.219 1.00 71.14 O ATOM 1632 CB THR A 100 3.516 7.371 2.773 1.00 51.24 C ATOM 1633 OG1 THR A 100 3.893 7.273 4.159 1.00 35.33 O ATOM 1634 CG2 THR A 100 3.976 8.731 2.216 1.00 74.22 C ATOM 0 H THR A 100 2.351 5.068 2.788 1.00 2.22 H new ATOM 0 HA THR A 100 1.463 7.825 3.296 1.00 41.34 H new ATOM 0 HB THR A 100 4.009 6.600 2.180 1.00 51.24 H new ATOM 0 HG1 THR A 100 4.695 6.716 4.241 1.00 35.33 H new ATOM 0 HG21 THR A 100 5.053 8.833 2.348 1.00 74.22 H new ATOM 0 HG22 THR A 100 3.733 8.791 1.155 1.00 74.22 H new ATOM 0 HG23 THR A 100 3.468 9.534 2.751 1.00 74.22 H new ATOM 1642 N ASP A 101 0.437 8.195 1.045 1.00 25.41 N ATOM 1643 CA ASP A 101 -0.188 8.527 -0.251 1.00 71.02 C ATOM 1644 C ASP A 101 -0.295 10.064 -0.415 1.00 0.04 C ATOM 1645 O ASP A 101 -0.229 10.811 0.566 1.00 72.44 O ATOM 1646 CB ASP A 101 -1.588 7.852 -0.301 1.00 71.21 C ATOM 1647 CG ASP A 101 -2.287 7.983 -1.662 1.00 34.33 C ATOM 1648 OD1 ASP A 101 -1.948 7.208 -2.590 1.00 45.45 O ATOM 1649 OD2 ASP A 101 -3.159 8.866 -1.818 1.00 31.11 O ATOM 0 H ASP A 101 -0.030 8.630 1.840 1.00 25.41 H new ATOM 0 HA ASP A 101 0.421 8.156 -1.075 1.00 71.02 H new ATOM 0 HB2 ASP A 101 -1.481 6.795 -0.057 1.00 71.21 H new ATOM 0 HB3 ASP A 101 -2.222 8.294 0.468 1.00 71.21 H new ATOM 1654 N PHE A 102 -0.450 10.531 -1.667 1.00 54.43 N ATOM 1655 CA PHE A 102 -0.668 11.961 -1.983 1.00 73.21 C ATOM 1656 C PHE A 102 -2.094 12.154 -2.555 1.00 54.11 C ATOM 1657 O PHE A 102 -2.415 11.612 -3.620 1.00 11.52 O ATOM 1658 CB PHE A 102 0.384 12.446 -3.021 1.00 34.33 C ATOM 1659 CG PHE A 102 1.827 12.498 -2.516 1.00 74.12 C ATOM 1660 CD1 PHE A 102 2.609 11.343 -2.451 1.00 43.32 C ATOM 1661 CD2 PHE A 102 2.406 13.706 -2.109 1.00 42.21 C ATOM 1662 CE1 PHE A 102 3.913 11.391 -1.994 1.00 13.30 C ATOM 1663 CE2 PHE A 102 3.712 13.751 -1.654 1.00 43.43 C ATOM 1664 CZ PHE A 102 4.465 12.594 -1.597 1.00 71.52 C ATOM 0 H PHE A 102 -0.428 9.930 -2.491 1.00 54.43 H new ATOM 0 HA PHE A 102 -0.560 12.548 -1.071 1.00 73.21 H new ATOM 0 HB2 PHE A 102 0.344 11.787 -3.889 1.00 34.33 H new ATOM 0 HB3 PHE A 102 0.100 13.441 -3.363 1.00 34.33 H new ATOM 0 HD1 PHE A 102 2.189 10.398 -2.762 1.00 43.32 H new ATOM 0 HD2 PHE A 102 1.825 14.616 -2.151 1.00 42.21 H new ATOM 0 HE1 PHE A 102 4.501 10.487 -1.947 1.00 13.30 H new ATOM 0 HE2 PHE A 102 4.143 14.691 -1.343 1.00 43.43 H new ATOM 0 HZ PHE A 102 5.484 12.630 -1.242 1.00 71.52 H new ATOM 1674 N SER A 103 -2.934 12.958 -1.871 1.00 42.23 N ATOM 1675 CA SER A 103 -4.342 13.209 -2.287 1.00 13.42 C ATOM 1676 C SER A 103 -4.687 14.713 -2.225 1.00 34.22 C ATOM 1677 O SER A 103 -4.283 15.415 -1.292 1.00 72.03 O ATOM 1678 CB SER A 103 -5.328 12.411 -1.394 1.00 24.04 C ATOM 1679 OG SER A 103 -5.202 11.009 -1.594 1.00 45.32 O ATOM 0 H SER A 103 -2.664 13.451 -1.020 1.00 42.23 H new ATOM 0 HA SER A 103 -4.442 12.873 -3.319 1.00 13.42 H new ATOM 0 HB2 SER A 103 -5.143 12.647 -0.346 1.00 24.04 H new ATOM 0 HB3 SER A 103 -6.350 12.720 -1.614 1.00 24.04 H new ATOM 0 HG SER A 103 -4.254 10.760 -1.574 1.00 45.32 H new ATOM 1685 N GLU A 104 -5.421 15.196 -3.250 1.00 71.15 N ATOM 1686 CA GLU A 104 -5.993 16.565 -3.287 1.00 72.15 C ATOM 1687 C GLU A 104 -7.047 16.759 -2.165 1.00 62.43 C ATOM 1688 O GLU A 104 -7.513 15.783 -1.585 1.00 13.11 O ATOM 1689 CB GLU A 104 -6.670 16.827 -4.672 1.00 71.44 C ATOM 1690 CG GLU A 104 -5.703 17.136 -5.832 1.00 4.21 C ATOM 1691 CD GLU A 104 -4.904 18.433 -5.613 1.00 14.41 C ATOM 1692 OE1 GLU A 104 -5.523 19.516 -5.566 1.00 2.42 O ATOM 1693 OE2 GLU A 104 -3.664 18.381 -5.499 1.00 13.44 O ATOM 0 H GLU A 104 -5.636 14.646 -4.082 1.00 71.15 H new ATOM 0 HA GLU A 104 -5.178 17.272 -3.133 1.00 72.15 H new ATOM 0 HB2 GLU A 104 -7.263 15.952 -4.939 1.00 71.44 H new ATOM 0 HB3 GLU A 104 -7.363 17.662 -4.567 1.00 71.44 H new ATOM 0 HG2 GLU A 104 -5.010 16.304 -5.953 1.00 4.21 H new ATOM 0 HG3 GLU A 104 -6.270 17.216 -6.760 1.00 4.21 H new ATOM 1700 N ALA A 105 -7.401 18.021 -1.858 1.00 13.10 N ATOM 1701 CA ALA A 105 -8.570 18.342 -0.987 1.00 54.03 C ATOM 1702 C ALA A 105 -9.867 17.612 -1.446 1.00 74.44 C ATOM 1703 O ALA A 105 -10.665 17.156 -0.619 1.00 72.41 O ATOM 1704 CB ALA A 105 -8.800 19.858 -0.954 1.00 20.34 C ATOM 0 H ALA A 105 -6.900 18.843 -2.196 1.00 13.10 H new ATOM 0 HA ALA A 105 -8.336 17.985 0.016 1.00 54.03 H new ATOM 0 HB1 ALA A 105 -9.655 20.083 -0.316 1.00 20.34 H new ATOM 0 HB2 ALA A 105 -7.913 20.352 -0.559 1.00 20.34 H new ATOM 0 HB3 ALA A 105 -8.996 20.218 -1.964 1.00 20.34 H new ATOM 1710 N ASP A 106 -10.030 17.500 -2.778 1.00 14.31 N ATOM 1711 CA ASP A 106 -11.163 16.798 -3.432 1.00 11.33 C ATOM 1712 C ASP A 106 -11.205 15.289 -3.088 1.00 10.31 C ATOM 1713 O ASP A 106 -12.281 14.692 -2.989 1.00 1.23 O ATOM 1714 CB ASP A 106 -11.044 16.955 -4.967 1.00 54.13 C ATOM 1715 CG ASP A 106 -10.982 18.422 -5.408 1.00 63.21 C ATOM 1716 OD1 ASP A 106 -9.894 19.035 -5.313 1.00 22.14 O ATOM 1717 OD2 ASP A 106 -12.021 18.983 -5.818 1.00 21.30 O ATOM 0 H ASP A 106 -9.370 17.900 -3.445 1.00 14.31 H new ATOM 0 HA ASP A 106 -12.082 17.251 -3.060 1.00 11.33 H new ATOM 0 HB2 ASP A 106 -10.149 16.438 -5.313 1.00 54.13 H new ATOM 0 HB3 ASP A 106 -11.896 16.472 -5.445 1.00 54.13 H new ATOM 1722 N GLU A 107 -10.012 14.694 -2.924 1.00 61.53 N ATOM 1723 CA GLU A 107 -9.833 13.240 -2.698 1.00 15.11 C ATOM 1724 C GLU A 107 -9.645 12.918 -1.196 1.00 64.34 C ATOM 1725 O GLU A 107 -9.953 11.813 -0.757 1.00 1.12 O ATOM 1726 CB GLU A 107 -8.589 12.756 -3.487 1.00 51.44 C ATOM 1727 CG GLU A 107 -8.588 13.132 -4.978 1.00 51.22 C ATOM 1728 CD GLU A 107 -7.312 12.668 -5.706 1.00 2.42 C ATOM 1729 OE1 GLU A 107 -6.255 13.321 -5.554 1.00 75.24 O ATOM 1730 OE2 GLU A 107 -7.361 11.657 -6.437 1.00 3.15 O ATOM 0 H GLU A 107 -9.132 15.210 -2.944 1.00 61.53 H new ATOM 0 HA GLU A 107 -10.730 12.726 -3.043 1.00 15.11 H new ATOM 0 HB2 GLU A 107 -7.696 13.171 -3.021 1.00 51.44 H new ATOM 0 HB3 GLU A 107 -8.519 11.672 -3.400 1.00 51.44 H new ATOM 0 HG2 GLU A 107 -9.459 12.689 -5.461 1.00 51.22 H new ATOM 0 HG3 GLU A 107 -8.685 14.213 -5.076 1.00 51.22 H new ATOM 1737 N ALA A 108 -9.149 13.908 -0.426 1.00 10.21 N ATOM 1738 CA ALA A 108 -8.722 13.728 0.984 1.00 33.21 C ATOM 1739 C ALA A 108 -9.877 13.268 1.887 1.00 1.41 C ATOM 1740 O ALA A 108 -9.697 12.380 2.714 1.00 43.41 O ATOM 1741 CB ALA A 108 -8.102 15.028 1.524 1.00 63.11 C ATOM 0 H ALA A 108 -9.031 14.863 -0.764 1.00 10.21 H new ATOM 0 HA ALA A 108 -7.970 12.939 0.997 1.00 33.21 H new ATOM 0 HB1 ALA A 108 -7.793 14.881 2.559 1.00 63.11 H new ATOM 0 HB2 ALA A 108 -7.234 15.295 0.921 1.00 63.11 H new ATOM 0 HB3 ALA A 108 -8.838 15.830 1.475 1.00 63.11 H new ATOM 1747 N ASP A 109 -11.068 13.856 1.690 1.00 11.24 N ATOM 1748 CA ASP A 109 -12.286 13.498 2.451 1.00 53.35 C ATOM 1749 C ASP A 109 -12.718 12.027 2.174 1.00 54.05 C ATOM 1750 O ASP A 109 -13.257 11.364 3.061 1.00 41.32 O ATOM 1751 CB ASP A 109 -13.419 14.502 2.118 1.00 2.33 C ATOM 1752 CG ASP A 109 -14.700 14.269 2.940 1.00 2.35 C ATOM 1753 OD1 ASP A 109 -14.678 14.503 4.170 1.00 52.54 O ATOM 1754 OD2 ASP A 109 -15.727 13.843 2.368 1.00 24.43 O ATOM 0 H ASP A 109 -11.218 14.593 1.001 1.00 11.24 H new ATOM 0 HA ASP A 109 -12.068 13.562 3.517 1.00 53.35 H new ATOM 0 HB2 ASP A 109 -13.061 15.516 2.296 1.00 2.33 H new ATOM 0 HB3 ASP A 109 -13.658 14.430 1.057 1.00 2.33 H new ATOM 1759 N ASP A 110 -12.461 11.535 0.945 1.00 40.13 N ATOM 1760 CA ASP A 110 -12.695 10.116 0.563 1.00 65.31 C ATOM 1761 C ASP A 110 -11.695 9.171 1.264 1.00 2.51 C ATOM 1762 O ASP A 110 -12.066 8.088 1.703 1.00 3.51 O ATOM 1763 CB ASP A 110 -12.582 9.945 -0.970 1.00 35.13 C ATOM 1764 CG ASP A 110 -13.628 10.749 -1.746 1.00 21.14 C ATOM 1765 OD1 ASP A 110 -13.569 11.996 -1.717 1.00 35.13 O ATOM 1766 OD2 ASP A 110 -14.504 10.147 -2.397 1.00 74.55 O ATOM 0 H ASP A 110 -12.086 12.104 0.186 1.00 40.13 H new ATOM 0 HA ASP A 110 -13.702 9.851 0.885 1.00 65.31 H new ATOM 0 HB2 ASP A 110 -11.586 10.252 -1.291 1.00 35.13 H new ATOM 0 HB3 ASP A 110 -12.686 8.889 -1.220 1.00 35.13 H new ATOM 1771 N LEU A 111 -10.422 9.599 1.339 1.00 51.52 N ATOM 1772 CA LEU A 111 -9.355 8.872 2.075 1.00 54.42 C ATOM 1773 C LEU A 111 -9.661 8.812 3.596 1.00 51.00 C ATOM 1774 O LEU A 111 -9.397 7.804 4.241 1.00 3.12 O ATOM 1775 CB LEU A 111 -7.957 9.530 1.818 1.00 14.13 C ATOM 1776 CG LEU A 111 -7.165 9.057 0.546 1.00 22.23 C ATOM 1777 CD1 LEU A 111 -6.747 7.578 0.663 1.00 44.32 C ATOM 1778 CD2 LEU A 111 -7.956 9.312 -0.757 1.00 42.34 C ATOM 0 H LEU A 111 -10.097 10.457 0.894 1.00 51.52 H new ATOM 0 HA LEU A 111 -9.329 7.849 1.699 1.00 54.42 H new ATOM 0 HB2 LEU A 111 -8.099 10.608 1.746 1.00 14.13 H new ATOM 0 HB3 LEU A 111 -7.332 9.348 2.692 1.00 14.13 H new ATOM 0 HG LEU A 111 -6.257 9.658 0.494 1.00 22.23 H new ATOM 0 HD11 LEU A 111 -6.201 7.282 -0.233 1.00 44.32 H new ATOM 0 HD12 LEU A 111 -6.108 7.449 1.536 1.00 44.32 H new ATOM 0 HD13 LEU A 111 -7.636 6.956 0.768 1.00 44.32 H new ATOM 0 HD21 LEU A 111 -7.371 8.970 -1.611 1.00 42.34 H new ATOM 0 HD22 LEU A 111 -8.900 8.768 -0.722 1.00 42.34 H new ATOM 0 HD23 LEU A 111 -8.156 10.379 -0.858 1.00 42.34 H new ATOM 1790 N LYS A 112 -10.204 9.915 4.145 1.00 73.00 N ATOM 1791 CA LYS A 112 -10.636 9.999 5.565 1.00 64.31 C ATOM 1792 C LYS A 112 -11.935 9.200 5.824 1.00 54.33 C ATOM 1793 O LYS A 112 -12.141 8.679 6.917 1.00 1.23 O ATOM 1794 CB LYS A 112 -10.819 11.477 6.003 1.00 71.24 C ATOM 1795 CG LYS A 112 -9.556 12.360 5.850 1.00 52.32 C ATOM 1796 CD LYS A 112 -8.317 11.812 6.598 1.00 11.54 C ATOM 1797 CE LYS A 112 -7.099 12.747 6.467 1.00 75.44 C ATOM 1798 NZ LYS A 112 -7.371 14.104 7.016 1.00 44.24 N ATOM 0 H LYS A 112 -10.358 10.777 3.622 1.00 73.00 H new ATOM 0 HA LYS A 112 -9.845 9.549 6.165 1.00 64.31 H new ATOM 0 HB2 LYS A 112 -11.626 11.917 5.418 1.00 71.24 H new ATOM 0 HB3 LYS A 112 -11.134 11.496 7.046 1.00 71.24 H new ATOM 0 HG2 LYS A 112 -9.317 12.455 4.791 1.00 52.32 H new ATOM 0 HG3 LYS A 112 -9.778 13.362 6.218 1.00 52.32 H new ATOM 0 HD2 LYS A 112 -8.560 11.680 7.652 1.00 11.54 H new ATOM 0 HD3 LYS A 112 -8.062 10.828 6.204 1.00 11.54 H new ATOM 0 HE2 LYS A 112 -6.249 12.309 6.990 1.00 75.44 H new ATOM 0 HE3 LYS A 112 -6.819 12.831 5.417 1.00 75.44 H new ATOM 0 HZ1 LYS A 112 -6.476 14.626 7.111 1.00 44.24 H new ATOM 0 HZ2 LYS A 112 -8.005 14.618 6.372 1.00 44.24 H new ATOM 0 HZ3 LYS A 112 -7.822 14.017 7.949 1.00 44.24 H new ATOM 1812 N GLU A 113 -12.804 9.123 4.809 1.00 72.20 N ATOM 1813 CA GLU A 113 -14.038 8.299 4.857 1.00 5.53 C ATOM 1814 C GLU A 113 -13.659 6.795 4.842 1.00 23.30 C ATOM 1815 O GLU A 113 -14.233 5.992 5.580 1.00 31.05 O ATOM 1816 CB GLU A 113 -14.951 8.684 3.647 1.00 34.21 C ATOM 1817 CG GLU A 113 -16.407 8.144 3.653 1.00 25.13 C ATOM 1818 CD GLU A 113 -16.560 6.674 3.206 1.00 4.14 C ATOM 1819 OE1 GLU A 113 -16.451 6.403 1.993 1.00 0.40 O ATOM 1820 OE2 GLU A 113 -16.794 5.790 4.058 1.00 41.52 O ATOM 0 H GLU A 113 -12.681 9.625 3.930 1.00 72.20 H new ATOM 0 HA GLU A 113 -14.592 8.489 5.776 1.00 5.53 H new ATOM 0 HB2 GLU A 113 -14.995 9.772 3.590 1.00 34.21 H new ATOM 0 HB3 GLU A 113 -14.466 8.337 2.735 1.00 34.21 H new ATOM 0 HG2 GLU A 113 -16.812 8.246 4.660 1.00 25.13 H new ATOM 0 HG3 GLU A 113 -17.014 8.771 3.000 1.00 25.13 H new ATOM 1827 N LEU A 114 -12.655 6.452 4.008 1.00 41.32 N ATOM 1828 CA LEU A 114 -12.089 5.081 3.911 1.00 11.25 C ATOM 1829 C LEU A 114 -11.343 4.733 5.220 1.00 2.41 C ATOM 1830 O LEU A 114 -11.395 3.600 5.682 1.00 30.32 O ATOM 1831 CB LEU A 114 -11.145 4.989 2.660 1.00 11.12 C ATOM 1832 CG LEU A 114 -10.571 3.566 2.259 1.00 41.33 C ATOM 1833 CD1 LEU A 114 -10.243 3.497 0.745 1.00 22.43 C ATOM 1834 CD2 LEU A 114 -9.311 3.174 3.084 1.00 23.41 C ATOM 0 H LEU A 114 -12.209 7.118 3.378 1.00 41.32 H new ATOM 0 HA LEU A 114 -12.890 4.353 3.780 1.00 11.25 H new ATOM 0 HB2 LEU A 114 -11.690 5.382 1.802 1.00 11.12 H new ATOM 0 HB3 LEU A 114 -10.298 5.653 2.832 1.00 11.12 H new ATOM 0 HG LEU A 114 -11.358 2.848 2.490 1.00 41.33 H new ATOM 0 HD11 LEU A 114 -9.852 2.509 0.502 1.00 22.43 H new ATOM 0 HD12 LEU A 114 -11.149 3.680 0.168 1.00 22.43 H new ATOM 0 HD13 LEU A 114 -9.497 4.253 0.499 1.00 22.43 H new ATOM 0 HD21 LEU A 114 -8.961 2.191 2.768 1.00 23.41 H new ATOM 0 HD22 LEU A 114 -8.524 3.910 2.919 1.00 23.41 H new ATOM 0 HD23 LEU A 114 -9.564 3.145 4.144 1.00 23.41 H new ATOM 1846 N TRP A 115 -10.657 5.737 5.792 1.00 25.34 N ATOM 1847 CA TRP A 115 -9.972 5.646 7.106 1.00 15.25 C ATOM 1848 C TRP A 115 -10.973 5.264 8.231 1.00 74.53 C ATOM 1849 O TRP A 115 -10.790 4.254 8.910 1.00 13.53 O ATOM 1850 CB TRP A 115 -9.263 7.011 7.386 1.00 54.33 C ATOM 1851 CG TRP A 115 -8.848 7.283 8.815 1.00 70.05 C ATOM 1852 CD1 TRP A 115 -9.534 8.017 9.746 1.00 5.11 C ATOM 1853 CD2 TRP A 115 -7.645 6.858 9.458 1.00 61.11 C ATOM 1854 NE1 TRP A 115 -8.849 8.036 10.929 1.00 25.11 N ATOM 1855 CE2 TRP A 115 -7.681 7.343 10.777 1.00 62.11 C ATOM 1856 CE3 TRP A 115 -6.548 6.112 9.046 1.00 22.24 C ATOM 1857 CZ2 TRP A 115 -6.660 7.097 11.689 1.00 71.15 C ATOM 1858 CZ3 TRP A 115 -5.537 5.875 9.945 1.00 70.33 C ATOM 1859 CH2 TRP A 115 -5.593 6.365 11.254 1.00 13.12 C ATOM 0 H TRP A 115 -10.557 6.652 5.352 1.00 25.34 H new ATOM 0 HA TRP A 115 -9.223 4.855 7.085 1.00 15.25 H new ATOM 0 HB2 TRP A 115 -8.374 7.067 6.757 1.00 54.33 H new ATOM 0 HB3 TRP A 115 -9.930 7.812 7.068 1.00 54.33 H new ATOM 0 HD1 TRP A 115 -10.479 8.509 9.571 1.00 5.11 H new ATOM 0 HE1 TRP A 115 -9.159 8.493 11.786 1.00 25.11 H new ATOM 0 HE3 TRP A 115 -6.491 5.726 8.039 1.00 22.24 H new ATOM 0 HZ2 TRP A 115 -6.709 7.470 12.701 1.00 71.15 H new ATOM 0 HZ3 TRP A 115 -4.679 5.297 9.634 1.00 70.33 H new ATOM 0 HH2 TRP A 115 -4.778 6.161 11.932 1.00 13.12 H new ATOM 1870 N ASP A 116 -12.035 6.074 8.391 1.00 11.32 N ATOM 1871 CA ASP A 116 -13.101 5.839 9.394 1.00 4.35 C ATOM 1872 C ASP A 116 -13.816 4.485 9.186 1.00 61.13 C ATOM 1873 O ASP A 116 -14.062 3.749 10.150 1.00 41.14 O ATOM 1874 CB ASP A 116 -14.117 7.014 9.371 1.00 72.30 C ATOM 1875 CG ASP A 116 -13.647 8.196 10.231 1.00 50.52 C ATOM 1876 OD1 ASP A 116 -12.871 9.039 9.745 1.00 33.44 O ATOM 1877 OD2 ASP A 116 -14.022 8.254 11.426 1.00 2.44 O ATOM 0 H ASP A 116 -12.183 6.913 7.830 1.00 11.32 H new ATOM 0 HA ASP A 116 -12.629 5.793 10.375 1.00 4.35 H new ATOM 0 HB2 ASP A 116 -14.262 7.348 8.344 1.00 72.30 H new ATOM 0 HB3 ASP A 116 -15.084 6.664 9.732 1.00 72.30 H new ATOM 1882 N SER A 117 -14.125 4.174 7.920 1.00 4.25 N ATOM 1883 CA SER A 117 -14.785 2.908 7.532 1.00 63.12 C ATOM 1884 C SER A 117 -13.903 1.689 7.896 1.00 21.44 C ATOM 1885 O SER A 117 -14.364 0.751 8.549 1.00 51.43 O ATOM 1886 CB SER A 117 -15.095 2.915 6.015 1.00 11.11 C ATOM 1887 OG SER A 117 -15.778 1.743 5.604 1.00 3.23 O ATOM 0 H SER A 117 -13.927 4.790 7.131 1.00 4.25 H new ATOM 0 HA SER A 117 -15.720 2.825 8.085 1.00 63.12 H new ATOM 0 HB2 SER A 117 -15.699 3.789 5.773 1.00 11.11 H new ATOM 0 HB3 SER A 117 -14.164 3.006 5.456 1.00 11.11 H new ATOM 0 HG SER A 117 -15.956 1.789 4.641 1.00 3.23 H new ATOM 1893 N GLN A 118 -12.615 1.762 7.511 1.00 31.52 N ATOM 1894 CA GLN A 118 -11.643 0.655 7.674 1.00 23.42 C ATOM 1895 C GLN A 118 -11.317 0.391 9.161 1.00 4.34 C ATOM 1896 O GLN A 118 -11.317 -0.756 9.584 1.00 54.01 O ATOM 1897 CB GLN A 118 -10.335 0.946 6.882 1.00 71.13 C ATOM 1898 CG GLN A 118 -9.265 -0.174 6.928 1.00 74.44 C ATOM 1899 CD GLN A 118 -9.752 -1.520 6.359 1.00 14.13 C ATOM 1900 OE1 GLN A 118 -9.628 -1.787 5.169 1.00 75.41 O ATOM 1901 NE2 GLN A 118 -10.306 -2.375 7.209 1.00 54.13 N ATOM 0 H GLN A 118 -12.214 2.593 7.076 1.00 31.52 H new ATOM 0 HA GLN A 118 -12.109 -0.244 7.269 1.00 23.42 H new ATOM 0 HB2 GLN A 118 -10.596 1.133 5.840 1.00 71.13 H new ATOM 0 HB3 GLN A 118 -9.892 1.864 7.270 1.00 71.13 H new ATOM 0 HG2 GLN A 118 -8.388 0.151 6.368 1.00 74.44 H new ATOM 0 HG3 GLN A 118 -8.948 -0.320 7.961 1.00 74.44 H new ATOM 0 HE21 GLN A 118 -10.397 -2.128 8.194 1.00 54.13 H new ATOM 0 HE22 GLN A 118 -10.641 -3.279 6.877 1.00 54.13 H new ATOM 1910 N VAL A 119 -11.056 1.462 9.938 1.00 30.44 N ATOM 1911 CA VAL A 119 -10.697 1.356 11.380 1.00 55.24 C ATOM 1912 C VAL A 119 -11.856 0.724 12.204 1.00 73.50 C ATOM 1913 O VAL A 119 -11.613 -0.118 13.080 1.00 15.03 O ATOM 1914 CB VAL A 119 -10.270 2.760 11.972 1.00 21.00 C ATOM 1915 CG1 VAL A 119 -10.101 2.725 13.515 1.00 1.43 C ATOM 1916 CG2 VAL A 119 -8.962 3.266 11.300 1.00 65.11 C ATOM 0 H VAL A 119 -11.086 2.421 9.593 1.00 30.44 H new ATOM 0 HA VAL A 119 -9.836 0.692 11.457 1.00 55.24 H new ATOM 0 HB VAL A 119 -11.079 3.455 11.749 1.00 21.00 H new ATOM 0 HG11 VAL A 119 -9.808 3.712 13.871 1.00 1.43 H new ATOM 0 HG12 VAL A 119 -11.045 2.438 13.978 1.00 1.43 H new ATOM 0 HG13 VAL A 119 -9.331 2.000 13.780 1.00 1.43 H new ATOM 0 HG21 VAL A 119 -8.687 4.233 11.722 1.00 65.11 H new ATOM 0 HG22 VAL A 119 -8.160 2.550 11.480 1.00 65.11 H new ATOM 0 HG23 VAL A 119 -9.121 3.371 10.227 1.00 65.11 H new