USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 98 CYS SG : rot 86:sc= 0.308 USER MOD Set 1.2: A 118 MET CE :methyl -114:sc= -0.0493 (180deg=-0.0645) USER MOD Set 2.1: A 4 ASN : amide:sc= 0.0944 K(o=0.23,f=-4.8!) USER MOD Set 2.2: A 21 TYR OH : rot 150:sc= 0.132 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.1 X(o=-0.18,f=-0.076) USER MOD Set 3.2: A 18 TYR OH : rot 180:sc= -0.0763 USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.119 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.933 USER MOD Single : A 3 LYS NZ :NH3+ -108:sc= 0.322 (180deg=-0.855) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-0.012) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot -150:sc= -1.14 USER MOD Single : A 26 SER OG : rot 180:sc= -0.518 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0711) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -1.7! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.027) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 115 SER OG : rot -72:sc= 0.835 USER MOD Single : A 117 SER OG : rot 180:sc= -2.05 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0527 K(o=-0.053,f=-0.78) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= -4.16! K(o=-4.2!,f=-1.3) USER MOD Single : A 141 LYS NZ :NH3+ -157:sc= -0.061 (180deg=-0.415) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.3) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.698 13.068 -4.575 1.00 0.00 N ATOM 2 CA SER A 1 -3.383 11.758 -3.946 1.00 0.00 C ATOM 3 C SER A 1 -1.957 11.321 -4.267 1.00 0.00 C ATOM 4 O SER A 1 -1.718 10.621 -5.250 1.00 0.00 O ATOM 5 CB SER A 1 -4.382 10.718 -4.460 1.00 0.00 C ATOM 6 OG SER A 1 -5.708 11.214 -4.403 1.00 0.00 O ATOM 0 H1 SER A 1 -4.707 13.100 -4.823 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.481 13.835 -3.907 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.126 13.186 -5.436 1.00 0.00 H new ATOM 0 HA SER A 1 -3.462 11.853 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.135 10.448 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.304 9.809 -3.864 1.00 0.00 H new ATOM 0 HG SER A 1 -6.327 10.532 -4.738 1.00 0.00 H new ATOM 14 N ILE A 2 -1.014 11.738 -3.428 1.00 0.00 N ATOM 15 CA ILE A 2 0.388 11.389 -3.621 1.00 0.00 C ATOM 16 C ILE A 2 0.659 9.950 -3.201 1.00 0.00 C ATOM 17 O ILE A 2 1.482 9.260 -3.801 1.00 0.00 O ATOM 18 CB ILE A 2 1.317 12.326 -2.825 1.00 0.00 C ATOM 19 CG1 ILE A 2 0.954 13.787 -3.092 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.772 12.063 -3.183 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.747 14.767 -2.255 1.00 0.00 C ATOM 0 H ILE A 2 -1.196 12.318 -2.609 1.00 0.00 H new ATOM 0 HA ILE A 2 0.596 11.501 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 2 1.184 12.126 -1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.117 14.007 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.109 13.931 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.414 12.733 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.024 11.029 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.922 12.238 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.438 15.784 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.565 14.573 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.810 14.650 -2.468 1.00 0.00 H new ATOM 33 N LYS A 3 -0.041 9.502 -2.164 1.00 0.00 N ATOM 34 CA LYS A 3 0.124 8.143 -1.661 1.00 0.00 C ATOM 35 C LYS A 3 -1.215 7.558 -1.228 1.00 0.00 C ATOM 36 O LYS A 3 -1.635 7.724 -0.083 1.00 0.00 O ATOM 37 CB LYS A 3 1.105 8.126 -0.489 1.00 0.00 C ATOM 38 CG LYS A 3 1.879 6.823 -0.363 1.00 0.00 C ATOM 39 CD LYS A 3 3.088 6.803 -1.285 1.00 0.00 C ATOM 40 CE LYS A 3 3.925 5.550 -1.079 1.00 0.00 C ATOM 41 NZ LYS A 3 3.211 4.325 -1.537 1.00 0.00 N ATOM 0 H LYS A 3 -0.727 10.060 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 3 0.524 7.529 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.811 8.949 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.557 8.304 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.204 6.690 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.224 5.985 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.757 6.854 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.701 7.686 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.865 5.647 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.176 5.451 -0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.916 3.766 -0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.372 4.598 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.846 3.755 -2.132 1.00 0.00 H new ATOM 55 N ASN A 4 -1.881 6.871 -2.150 1.00 0.00 N ATOM 56 CA ASN A 4 -3.172 6.259 -1.863 1.00 0.00 C ATOM 57 C ASN A 4 -3.151 4.768 -2.183 1.00 0.00 C ATOM 58 O ASN A 4 -2.703 4.359 -3.256 1.00 0.00 O ATOM 59 CB ASN A 4 -4.277 6.948 -2.667 1.00 0.00 C ATOM 60 CG ASN A 4 -4.073 6.812 -4.164 1.00 0.00 C ATOM 61 OD1 ASN A 4 -2.945 6.854 -4.654 1.00 0.00 O ATOM 62 ND2 ASN A 4 -5.168 6.650 -4.898 1.00 0.00 N ATOM 0 H ASN A 4 -1.547 6.724 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.375 6.382 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.242 6.520 -2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.310 8.005 -2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.094 6.554 -5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.083 6.621 -4.449 1.00 0.00 H new ATOM 69 N GLY A 5 -3.636 3.959 -1.246 1.00 0.00 N ATOM 70 CA GLY A 5 -3.664 2.523 -1.448 1.00 0.00 C ATOM 71 C GLY A 5 -4.468 1.803 -0.385 1.00 0.00 C ATOM 72 O GLY A 5 -5.230 2.425 0.356 1.00 0.00 O ATOM 0 H GLY A 5 -4.010 4.273 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.087 2.306 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.644 2.140 -1.449 1.00 0.00 H new ATOM 76 N ILE A 6 -4.301 0.486 -0.309 1.00 0.00 N ATOM 77 CA ILE A 6 -5.018 -0.320 0.671 1.00 0.00 C ATOM 78 C ILE A 6 -4.156 -0.584 1.901 1.00 0.00 C ATOM 79 O ILE A 6 -3.565 -1.655 2.037 1.00 0.00 O ATOM 80 CB ILE A 6 -5.465 -1.667 0.070 1.00 0.00 C ATOM 81 CG1 ILE A 6 -6.163 -1.446 -1.273 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.385 -2.398 1.037 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.454 -0.663 -1.161 1.00 0.00 C ATOM 0 H ILE A 6 -3.675 -0.045 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.900 0.248 0.965 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.582 -2.283 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.485 -0.919 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.373 -2.414 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.693 -3.348 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.856 -2.584 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.266 -1.787 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.894 -0.544 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.150 -1.199 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.248 0.319 -0.735 1.00 0.00 H new ATOM 95 N LEU A 7 -4.093 0.397 2.793 1.00 0.00 N ATOM 96 CA LEU A 7 -3.303 0.269 4.013 1.00 0.00 C ATOM 97 C LEU A 7 -4.125 -0.376 5.125 1.00 0.00 C ATOM 98 O LEU A 7 -5.355 -0.360 5.089 1.00 0.00 O ATOM 99 CB LEU A 7 -2.793 1.642 4.461 1.00 0.00 C ATOM 100 CG LEU A 7 -1.283 1.845 4.328 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.534 0.882 5.236 1.00 0.00 C ATOM 102 CD2 LEU A 7 -0.849 1.663 2.880 1.00 0.00 C ATOM 0 H LEU A 7 -4.578 1.289 2.696 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.448 -0.373 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.301 2.410 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.075 1.795 5.503 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.042 2.863 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.539 1.041 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.825 1.058 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.779 -0.144 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.228 1.811 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.102 0.656 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.362 2.392 2.252 1.00 0.00 H new ATOM 114 N TYR A 8 -3.436 -0.943 6.110 1.00 0.00 N ATOM 115 CA TYR A 8 -4.103 -1.596 7.231 1.00 0.00 C ATOM 116 C TYR A 8 -4.093 -0.704 8.469 1.00 0.00 C ATOM 117 O TYR A 8 -3.331 0.260 8.546 1.00 0.00 O ATOM 118 CB TYR A 8 -3.425 -2.931 7.545 1.00 0.00 C ATOM 119 CG TYR A 8 -3.577 -3.960 6.448 1.00 0.00 C ATOM 120 CD1 TYR A 8 -4.832 -4.311 5.966 1.00 0.00 C ATOM 121 CD2 TYR A 8 -2.465 -4.581 5.893 1.00 0.00 C ATOM 122 CE1 TYR A 8 -4.974 -5.251 4.964 1.00 0.00 C ATOM 123 CE2 TYR A 8 -2.599 -5.521 4.888 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.855 -5.853 4.429 1.00 0.00 C ATOM 125 OH TYR A 8 -3.993 -6.788 3.429 1.00 0.00 O ATOM 0 H TYR A 8 -2.417 -0.964 6.155 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.140 -1.778 6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.364 -2.757 7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.842 -3.332 8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.711 -3.841 6.382 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.479 -4.325 6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.957 -5.513 4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.724 -5.992 4.465 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.108 -7.115 3.162 1.00 0.00 H new ATOM 135 N LEU A 9 -4.945 -1.034 9.434 1.00 0.00 N ATOM 136 CA LEU A 9 -5.038 -0.266 10.670 1.00 0.00 C ATOM 137 C LEU A 9 -6.052 -0.893 11.622 1.00 0.00 C ATOM 138 O LEU A 9 -7.187 -1.176 11.236 1.00 0.00 O ATOM 139 CB LEU A 9 -5.431 1.182 10.370 1.00 0.00 C ATOM 140 CG LEU A 9 -6.723 1.350 9.568 1.00 0.00 C ATOM 141 CD1 LEU A 9 -7.457 2.611 9.997 1.00 0.00 C ATOM 142 CD2 LEU A 9 -6.424 1.387 8.078 1.00 0.00 C ATOM 0 H LEU A 9 -5.582 -1.829 9.384 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.059 -0.276 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.535 1.717 11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.617 1.657 9.822 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.366 0.493 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.373 2.714 9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.705 2.545 11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.820 3.479 9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.354 1.507 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.761 2.225 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.942 0.456 7.780 1.00 0.00 H new ATOM 154 N GLU A 10 -5.636 -1.111 12.865 1.00 0.00 N ATOM 155 CA GLU A 10 -6.511 -1.709 13.867 1.00 0.00 C ATOM 156 C GLU A 10 -7.195 -0.636 14.706 1.00 0.00 C ATOM 157 O GLU A 10 -6.806 0.531 14.681 1.00 0.00 O ATOM 158 CB GLU A 10 -5.716 -2.654 14.773 1.00 0.00 C ATOM 159 CG GLU A 10 -4.679 -1.947 15.633 1.00 0.00 C ATOM 160 CD GLU A 10 -4.903 -2.168 17.116 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.595 -3.276 17.604 1.00 0.00 O ATOM 162 OE2 GLU A 10 -5.385 -1.234 17.789 1.00 0.00 O ATOM 0 H GLU A 10 -4.701 -0.883 13.202 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.280 -2.279 13.345 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.409 -3.190 15.422 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.216 -3.400 14.156 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.685 -2.302 15.363 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.704 -0.878 15.421 1.00 0.00 H new ATOM 169 N ASP A 11 -8.218 -1.043 15.452 1.00 0.00 N ATOM 170 CA ASP A 11 -8.962 -0.121 16.302 1.00 0.00 C ATOM 171 C ASP A 11 -8.912 -0.571 17.760 1.00 0.00 C ATOM 172 O ASP A 11 -8.817 -1.762 18.048 1.00 0.00 O ATOM 173 CB ASP A 11 -10.415 -0.026 15.834 1.00 0.00 C ATOM 174 CG ASP A 11 -10.677 1.226 15.020 1.00 0.00 C ATOM 175 OD1 ASP A 11 -10.661 2.329 15.605 1.00 0.00 O ATOM 176 OD2 ASP A 11 -10.900 1.103 13.796 1.00 0.00 O ATOM 0 H ASP A 11 -8.550 -2.007 15.485 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.499 0.863 16.227 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.660 -0.904 15.235 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.075 -0.038 16.701 1.00 0.00 H new ATOM 181 N PRO A 12 -8.976 0.384 18.704 1.00 0.00 N ATOM 182 CA PRO A 12 -8.940 0.081 20.137 1.00 0.00 C ATOM 183 C PRO A 12 -10.246 -0.530 20.638 1.00 0.00 C ATOM 184 O PRO A 12 -10.285 -1.141 21.707 1.00 0.00 O ATOM 185 CB PRO A 12 -8.708 1.449 20.778 1.00 0.00 C ATOM 186 CG PRO A 12 -9.301 2.420 19.817 1.00 0.00 C ATOM 187 CD PRO A 12 -9.090 1.833 18.448 1.00 0.00 C ATOM 0 HA PRO A 12 -8.175 -0.656 20.379 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.187 1.515 21.755 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.646 1.640 20.930 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.362 2.569 20.018 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.821 3.395 19.901 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.924 2.058 17.783 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.190 2.229 17.977 1.00 0.00 H new ATOM 195 N VAL A 13 -11.312 -0.365 19.861 1.00 0.00 N ATOM 196 CA VAL A 13 -12.616 -0.903 20.229 1.00 0.00 C ATOM 197 C VAL A 13 -12.685 -2.400 19.956 1.00 0.00 C ATOM 198 O VAL A 13 -13.266 -3.160 20.732 1.00 0.00 O ATOM 199 CB VAL A 13 -13.752 -0.200 19.464 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.108 -0.624 20.009 1.00 0.00 C ATOM 201 CG2 VAL A 13 -13.590 1.311 19.538 1.00 0.00 C ATOM 0 H VAL A 13 -11.298 0.137 18.973 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.744 -0.722 21.296 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.698 -0.499 18.417 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.898 -0.116 19.455 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.223 -1.702 19.899 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.176 -0.358 21.064 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.402 1.791 18.992 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.616 1.629 20.580 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.636 1.597 19.095 1.00 0.00 H new ATOM 211 N ASN A 14 -12.085 -2.817 18.848 1.00 0.00 N ATOM 212 CA ASN A 14 -12.071 -4.224 18.466 1.00 0.00 C ATOM 213 C ASN A 14 -10.724 -4.863 18.796 1.00 0.00 C ATOM 214 O ASN A 14 -10.630 -6.079 18.971 1.00 0.00 O ATOM 215 CB ASN A 14 -12.365 -4.373 16.973 1.00 0.00 C ATOM 216 CG ASN A 14 -13.734 -3.837 16.599 1.00 0.00 C ATOM 217 OD1 ASN A 14 -14.687 -4.599 16.429 1.00 0.00 O ATOM 218 ND2 ASN A 14 -13.840 -2.521 16.468 1.00 0.00 N ATOM 0 H ASN A 14 -11.601 -2.199 18.197 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.847 -4.736 19.035 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.602 -3.846 16.400 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.301 -5.425 16.696 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.736 -2.104 16.217 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.025 -1.926 16.618 1.00 0.00 H new ATOM 225 N HIS A 15 -9.685 -4.036 18.881 1.00 0.00 N ATOM 226 CA HIS A 15 -8.344 -4.520 19.192 1.00 0.00 C ATOM 227 C HIS A 15 -7.834 -5.450 18.093 1.00 0.00 C ATOM 228 O HIS A 15 -7.095 -6.397 18.361 1.00 0.00 O ATOM 229 CB HIS A 15 -8.341 -5.246 20.541 1.00 0.00 C ATOM 230 CG HIS A 15 -7.690 -4.464 21.640 1.00 0.00 C ATOM 231 ND1 HIS A 15 -6.983 -5.053 22.666 1.00 0.00 N ATOM 232 CD2 HIS A 15 -7.642 -3.130 21.868 1.00 0.00 C ATOM 233 CE1 HIS A 15 -6.530 -4.117 23.480 1.00 0.00 C ATOM 234 NE2 HIS A 15 -6.916 -2.942 23.017 1.00 0.00 N ATOM 0 H HIS A 15 -9.747 -3.028 18.739 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.677 -3.660 19.252 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.369 -5.471 20.826 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.825 -6.200 20.430 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -8.091 -2.359 21.260 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.944 -4.284 24.372 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.708 -2.040 23.445 1.00 0.00 H new ATOM 243 N GLU A 16 -8.233 -5.173 16.856 1.00 0.00 N ATOM 244 CA GLU A 16 -7.815 -5.986 15.718 1.00 0.00 C ATOM 245 C GLU A 16 -7.616 -5.126 14.474 1.00 0.00 C ATOM 246 O GLU A 16 -8.192 -4.045 14.356 1.00 0.00 O ATOM 247 CB GLU A 16 -8.848 -7.080 15.440 1.00 0.00 C ATOM 248 CG GLU A 16 -8.440 -8.450 15.954 1.00 0.00 C ATOM 249 CD GLU A 16 -7.913 -9.352 14.854 1.00 0.00 C ATOM 250 OE1 GLU A 16 -7.068 -8.888 14.060 1.00 0.00 O ATOM 251 OE2 GLU A 16 -8.346 -10.521 14.787 1.00 0.00 O ATOM 0 H GLU A 16 -8.845 -4.393 16.615 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.862 -6.452 15.968 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.796 -6.797 15.898 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.019 -7.141 14.365 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.674 -8.333 16.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.298 -8.926 16.430 1.00 0.00 H new ATOM 258 N TRP A 17 -6.797 -5.616 13.550 1.00 0.00 N ATOM 259 CA TRP A 17 -6.521 -4.894 12.312 1.00 0.00 C ATOM 260 C TRP A 17 -7.682 -5.032 11.332 1.00 0.00 C ATOM 261 O TRP A 17 -8.268 -6.107 11.197 1.00 0.00 O ATOM 262 CB TRP A 17 -5.233 -5.410 11.670 1.00 0.00 C ATOM 263 CG TRP A 17 -4.100 -5.552 12.639 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.698 -6.695 13.269 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.223 -4.514 13.093 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.626 -6.431 14.086 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.316 -5.100 13.996 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.116 -3.147 12.823 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.316 -4.366 14.630 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.124 -2.419 13.453 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.235 -3.029 14.347 1.00 0.00 C ATOM 0 H TRP A 17 -6.313 -6.510 13.634 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.398 -3.839 12.557 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.429 -6.377 11.207 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.936 -4.729 10.872 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.156 -7.665 13.143 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.140 -7.115 14.666 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.796 -2.668 12.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.630 -4.835 15.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.033 -1.362 13.252 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.470 -2.433 14.823 1.00 0.00 H new ATOM 282 N TYR A 18 -8.009 -3.939 10.650 1.00 0.00 N ATOM 283 CA TYR A 18 -9.099 -3.940 9.682 1.00 0.00 C ATOM 284 C TYR A 18 -8.664 -3.283 8.373 1.00 0.00 C ATOM 285 O TYR A 18 -7.977 -2.262 8.382 1.00 0.00 O ATOM 286 CB TYR A 18 -10.316 -3.211 10.253 1.00 0.00 C ATOM 287 CG TYR A 18 -11.018 -3.973 11.356 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.573 -3.895 12.670 1.00 0.00 C ATOM 289 CD2 TYR A 18 -12.122 -4.768 11.083 1.00 0.00 C ATOM 290 CE1 TYR A 18 -11.212 -4.589 13.681 1.00 0.00 C ATOM 291 CE2 TYR A 18 -12.765 -5.465 12.088 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.307 -5.372 13.383 1.00 0.00 C ATOM 293 OH TYR A 18 -12.946 -6.065 14.388 1.00 0.00 O ATOM 0 H TYR A 18 -7.535 -3.042 10.750 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.369 -4.976 9.476 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -10.000 -2.241 10.637 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -11.025 -3.019 9.447 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.715 -3.283 12.905 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.485 -4.843 10.068 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.855 -4.518 14.698 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.623 -6.080 11.859 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.699 -6.567 14.012 1.00 0.00 H new ATOM 303 N PRO A 19 -9.060 -3.861 7.224 1.00 0.00 N ATOM 304 CA PRO A 19 -8.703 -3.322 5.908 1.00 0.00 C ATOM 305 C PRO A 19 -9.480 -2.054 5.572 1.00 0.00 C ATOM 306 O PRO A 19 -10.703 -2.012 5.694 1.00 0.00 O ATOM 307 CB PRO A 19 -9.085 -4.452 4.951 1.00 0.00 C ATOM 308 CG PRO A 19 -10.183 -5.178 5.646 1.00 0.00 C ATOM 309 CD PRO A 19 -9.881 -5.083 7.116 1.00 0.00 C ATOM 0 HA PRO A 19 -7.653 -3.034 5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.415 -4.062 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.238 -5.109 4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.151 -4.732 5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.227 -6.218 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.793 -5.007 7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.342 -5.961 7.472 1.00 0.00 H new ATOM 317 N HIS A 20 -8.759 -1.020 5.148 1.00 0.00 N ATOM 318 CA HIS A 20 -9.381 0.250 4.794 1.00 0.00 C ATOM 319 C HIS A 20 -8.653 0.904 3.624 1.00 0.00 C ATOM 320 O HIS A 20 -7.695 0.349 3.087 1.00 0.00 O ATOM 321 CB HIS A 20 -9.386 1.193 5.998 1.00 0.00 C ATOM 322 CG HIS A 20 -10.606 1.061 6.856 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.707 1.883 6.731 1.00 0.00 N ATOM 324 CD2 HIS A 20 -10.899 0.195 7.854 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.621 1.530 7.616 1.00 0.00 C ATOM 326 NE2 HIS A 20 -12.156 0.508 8.309 1.00 0.00 N ATOM 0 H HIS A 20 -7.745 -1.037 5.042 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.410 0.051 4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.502 0.999 6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.310 2.221 5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.262 -0.595 8.224 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.585 1.998 7.750 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.650 0.028 9.061 1.00 0.00 H new ATOM 335 N TYR A 21 -9.113 2.088 3.235 1.00 0.00 N ATOM 336 CA TYR A 21 -8.506 2.819 2.129 1.00 0.00 C ATOM 337 C TYR A 21 -7.984 4.174 2.593 1.00 0.00 C ATOM 338 O TYR A 21 -8.629 4.861 3.384 1.00 0.00 O ATOM 339 CB TYR A 21 -9.520 3.011 0.998 1.00 0.00 C ATOM 340 CG TYR A 21 -8.902 3.496 -0.293 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.984 2.715 -0.984 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.236 4.737 -0.823 1.00 0.00 C ATOM 343 CE1 TYR A 21 -7.418 3.154 -2.165 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.674 5.184 -2.004 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.766 4.389 -2.670 1.00 0.00 C ATOM 346 OH TYR A 21 -7.204 4.830 -3.847 1.00 0.00 O ATOM 0 H TYR A 21 -9.905 2.562 3.670 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.665 2.233 1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.030 2.065 0.814 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.279 3.725 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.708 1.748 -0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.947 5.362 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.707 2.533 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.945 6.151 -2.403 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.836 5.419 -4.311 1.00 0.00 H new ATOM 356 N PHE A 22 -6.811 4.551 2.095 1.00 0.00 N ATOM 357 CA PHE A 22 -6.201 5.825 2.458 1.00 0.00 C ATOM 358 C PHE A 22 -5.716 6.568 1.218 1.00 0.00 C ATOM 359 O PHE A 22 -5.311 5.952 0.230 1.00 0.00 O ATOM 360 CB PHE A 22 -5.033 5.599 3.420 1.00 0.00 C ATOM 361 CG PHE A 22 -5.363 5.914 4.851 1.00 0.00 C ATOM 362 CD1 PHE A 22 -5.429 7.228 5.286 1.00 0.00 C ATOM 363 CD2 PHE A 22 -5.605 4.897 5.761 1.00 0.00 C ATOM 364 CE1 PHE A 22 -5.732 7.522 6.602 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.907 5.186 7.078 1.00 0.00 C ATOM 366 CZ PHE A 22 -5.971 6.500 7.500 1.00 0.00 C ATOM 0 H PHE A 22 -6.264 3.993 1.439 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.958 6.434 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.712 4.560 3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.190 6.215 3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.242 8.031 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.557 3.868 5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.782 8.550 6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.093 4.385 7.778 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.207 6.727 8.529 1.00 0.00 H new ATOM 376 N VAL A 23 -5.756 7.895 1.275 1.00 0.00 N ATOM 377 CA VAL A 23 -5.318 8.723 0.158 1.00 0.00 C ATOM 378 C VAL A 23 -4.546 9.941 0.650 1.00 0.00 C ATOM 379 O VAL A 23 -5.133 10.983 0.948 1.00 0.00 O ATOM 380 CB VAL A 23 -6.509 9.192 -0.698 1.00 0.00 C ATOM 381 CG1 VAL A 23 -6.021 9.886 -1.959 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.415 8.020 -1.041 1.00 0.00 C ATOM 0 H VAL A 23 -6.088 8.420 2.084 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.664 8.105 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.088 9.911 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.877 10.210 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.419 10.753 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.417 9.193 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.251 8.371 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.850 7.275 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.795 7.573 -0.122 1.00 0.00 H new ATOM 392 N LEU A 24 -3.227 9.803 0.738 1.00 0.00 N ATOM 393 CA LEU A 24 -2.372 10.889 1.197 1.00 0.00 C ATOM 394 C LEU A 24 -2.315 12.015 0.169 1.00 0.00 C ATOM 395 O LEU A 24 -1.813 11.829 -0.941 1.00 0.00 O ATOM 396 CB LEU A 24 -0.961 10.370 1.477 1.00 0.00 C ATOM 397 CG LEU A 24 -0.208 11.108 2.587 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.093 12.589 2.261 1.00 0.00 C ATOM 399 CD2 LEU A 24 -0.903 10.906 3.924 1.00 0.00 C ATOM 0 H LEU A 24 -2.727 8.947 0.497 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.798 11.286 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.024 9.314 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.378 10.434 0.558 1.00 0.00 H new ATOM 0 HG LEU A 24 0.798 10.695 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.445 13.097 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.448 12.714 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.090 13.019 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.355 11.437 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.920 11.293 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.932 9.843 4.162 1.00 0.00 H new ATOM 411 N THR A 25 -2.833 13.179 0.546 1.00 0.00 N ATOM 412 CA THR A 25 -2.840 14.336 -0.340 1.00 0.00 C ATOM 413 C THR A 25 -1.697 15.291 -0.003 1.00 0.00 C ATOM 414 O THR A 25 -1.177 15.284 1.114 1.00 0.00 O ATOM 415 CB THR A 25 -4.180 15.067 -0.252 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.811 14.810 0.989 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.146 14.675 -1.349 1.00 0.00 C ATOM 0 H THR A 25 -3.254 13.346 1.460 1.00 0.00 H new ATOM 0 HA THR A 25 -2.698 13.980 -1.360 1.00 0.00 H new ATOM 0 HB THR A 25 -3.941 16.125 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.784 14.850 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.077 15.229 -1.229 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.708 14.907 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.350 13.606 -1.289 1.00 0.00 H new ATOM 425 N SER A 26 -1.311 16.103 -0.984 1.00 0.00 N ATOM 426 CA SER A 26 -0.223 17.065 -0.819 1.00 0.00 C ATOM 427 C SER A 26 -0.291 17.790 0.525 1.00 0.00 C ATOM 428 O SER A 26 0.740 18.120 1.109 1.00 0.00 O ATOM 429 CB SER A 26 -0.247 18.084 -1.962 1.00 0.00 C ATOM 430 OG SER A 26 0.966 18.057 -2.694 1.00 0.00 O ATOM 0 H SER A 26 -1.740 16.114 -1.910 1.00 0.00 H new ATOM 0 HA SER A 26 0.712 16.505 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.082 17.869 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.410 19.084 -1.559 1.00 0.00 H new ATOM 0 HG SER A 26 0.925 18.715 -3.419 1.00 0.00 H new ATOM 436 N SER A 27 -1.503 18.045 1.008 1.00 0.00 N ATOM 437 CA SER A 27 -1.674 18.742 2.278 1.00 0.00 C ATOM 438 C SER A 27 -2.875 18.210 3.054 1.00 0.00 C ATOM 439 O SER A 27 -3.683 18.982 3.569 1.00 0.00 O ATOM 440 CB SER A 27 -1.835 20.244 2.037 1.00 0.00 C ATOM 441 OG SER A 27 -2.707 20.497 0.949 1.00 0.00 O ATOM 0 H SER A 27 -2.373 17.783 0.545 1.00 0.00 H new ATOM 0 HA SER A 27 -0.781 18.563 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.224 20.720 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.861 20.690 1.837 1.00 0.00 H new ATOM 0 HG SER A 27 -2.794 21.464 0.817 1.00 0.00 H new ATOM 447 N LYS A 28 -2.987 16.887 3.145 1.00 0.00 N ATOM 448 CA LYS A 28 -4.093 16.269 3.872 1.00 0.00 C ATOM 449 C LYS A 28 -4.041 14.747 3.774 1.00 0.00 C ATOM 450 O LYS A 28 -3.295 14.192 2.968 1.00 0.00 O ATOM 451 CB LYS A 28 -5.437 16.778 3.340 1.00 0.00 C ATOM 452 CG LYS A 28 -6.379 17.257 4.433 1.00 0.00 C ATOM 453 CD LYS A 28 -6.847 18.683 4.183 1.00 0.00 C ATOM 454 CE LYS A 28 -7.291 19.355 5.471 1.00 0.00 C ATOM 455 NZ LYS A 28 -8.753 19.200 5.706 1.00 0.00 N ATOM 0 H LYS A 28 -2.331 16.227 2.728 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.994 16.548 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.257 17.596 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.922 15.980 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.243 16.594 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.875 17.203 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.039 19.258 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.672 18.677 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.742 18.929 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.041 20.415 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.951 19.274 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.267 19.948 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.064 18.270 5.360 1.00 0.00 H new ATOM 469 N ILE A 29 -4.843 14.084 4.601 1.00 0.00 N ATOM 470 CA ILE A 29 -4.899 12.626 4.614 1.00 0.00 C ATOM 471 C ILE A 29 -6.346 12.146 4.589 1.00 0.00 C ATOM 472 O ILE A 29 -7.027 12.141 5.615 1.00 0.00 O ATOM 473 CB ILE A 29 -4.198 12.039 5.855 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.964 12.871 6.221 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.811 10.588 5.603 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.159 12.296 7.366 1.00 0.00 C ATOM 0 H ILE A 29 -5.465 14.534 5.273 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.378 12.279 3.722 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.892 12.073 6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.322 12.957 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.282 13.880 6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.317 10.185 6.487 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.707 10.004 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.132 10.535 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.302 12.939 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.785 12.236 8.257 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.810 11.298 7.100 1.00 0.00 H new ATOM 488 N TYR A 30 -6.812 11.747 3.410 1.00 0.00 N ATOM 489 CA TYR A 30 -8.180 11.269 3.249 1.00 0.00 C ATOM 490 C TYR A 30 -8.352 9.877 3.851 1.00 0.00 C ATOM 491 O TYR A 30 -7.546 8.980 3.604 1.00 0.00 O ATOM 492 CB TYR A 30 -8.563 11.252 1.768 1.00 0.00 C ATOM 493 CG TYR A 30 -9.427 12.422 1.352 1.00 0.00 C ATOM 494 CD1 TYR A 30 -8.973 13.726 1.491 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.695 12.219 0.820 1.00 0.00 C ATOM 496 CE1 TYR A 30 -9.760 14.799 1.111 1.00 0.00 C ATOM 497 CE2 TYR A 30 -11.486 13.287 0.438 1.00 0.00 C ATOM 498 CZ TYR A 30 -11.014 14.574 0.587 1.00 0.00 C ATOM 499 OH TYR A 30 -11.800 15.638 0.207 1.00 0.00 O ATOM 0 H TYR A 30 -6.262 11.745 2.551 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.841 11.953 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.654 11.250 1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.092 10.325 1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.991 13.906 1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.068 11.212 0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.393 15.808 1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.469 13.114 0.025 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.653 15.306 -0.143 1.00 0.00 H new ATOM 509 N TYR A 31 -9.407 9.707 4.641 1.00 0.00 N ATOM 510 CA TYR A 31 -9.690 8.426 5.278 1.00 0.00 C ATOM 511 C TYR A 31 -11.193 8.168 5.331 1.00 0.00 C ATOM 512 O TYR A 31 -11.951 8.973 5.874 1.00 0.00 O ATOM 513 CB TYR A 31 -9.103 8.398 6.692 1.00 0.00 C ATOM 514 CG TYR A 31 -9.413 7.128 7.455 1.00 0.00 C ATOM 515 CD1 TYR A 31 -8.875 5.909 7.062 1.00 0.00 C ATOM 516 CD2 TYR A 31 -10.245 7.150 8.568 1.00 0.00 C ATOM 517 CE1 TYR A 31 -9.158 4.748 7.757 1.00 0.00 C ATOM 518 CE2 TYR A 31 -10.530 5.993 9.268 1.00 0.00 C ATOM 519 CZ TYR A 31 -9.985 4.794 8.858 1.00 0.00 C ATOM 520 OH TYR A 31 -10.268 3.641 9.551 1.00 0.00 O ATOM 0 H TYR A 31 -10.081 10.442 4.856 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.226 7.639 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.022 8.519 6.629 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.487 9.251 7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.226 5.868 6.200 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.676 8.086 8.891 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.732 3.808 7.438 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.177 6.027 10.132 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.865 3.848 10.300 1.00 0.00 H new ATOM 530 N SER A 32 -11.617 7.044 4.763 1.00 0.00 N ATOM 531 CA SER A 32 -13.031 6.683 4.748 1.00 0.00 C ATOM 532 C SER A 32 -13.216 5.225 4.336 1.00 0.00 C ATOM 533 O SER A 32 -13.430 4.354 5.177 1.00 0.00 O ATOM 534 CB SER A 32 -13.802 7.600 3.797 1.00 0.00 C ATOM 535 OG SER A 32 -15.076 7.061 3.491 1.00 0.00 O ATOM 0 H SER A 32 -11.004 6.368 4.308 1.00 0.00 H new ATOM 0 HA SER A 32 -13.424 6.807 5.757 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.919 8.584 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.232 7.739 2.878 1.00 0.00 H new ATOM 0 HG SER A 32 -15.550 7.666 2.883 1.00 0.00 H new ATOM 1396 N GLY A 91 -12.966 11.323 6.321 1.00 0.00 N ATOM 1397 CA GLY A 91 -11.998 11.406 7.397 1.00 0.00 C ATOM 1398 C GLY A 91 -10.710 12.082 6.970 1.00 0.00 C ATOM 1399 O GLY A 91 -9.695 11.420 6.757 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.434 11.956 8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.775 10.402 7.759 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.753 13.404 6.840 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.588 14.172 6.433 1.00 0.00 C ATOM 1405 C VAL A 92 -8.701 14.501 7.631 1.00 0.00 C ATOM 1406 O VAL A 92 -9.196 14.836 8.707 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.003 15.481 5.741 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -10.504 15.207 4.332 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -11.057 16.212 6.560 1.00 0.00 C ATOM 0 H VAL A 92 -11.587 13.965 7.012 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.027 13.556 5.730 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.126 16.124 5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.793 16.146 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.712 14.736 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.367 14.542 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.336 17.135 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.937 15.578 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.654 16.447 7.545 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.391 14.408 7.434 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.438 14.698 8.500 1.00 0.00 C ATOM 1421 C LEU A 93 -5.348 15.647 8.012 1.00 0.00 C ATOM 1422 O LEU A 93 -4.795 15.468 6.925 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.807 13.403 9.019 1.00 0.00 C ATOM 1424 CG LEU A 93 -6.765 12.217 9.135 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -5.999 10.907 9.063 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -7.561 12.300 10.428 1.00 0.00 C ATOM 0 H LEU A 93 -6.965 14.135 6.549 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.979 15.181 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.988 13.125 8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.372 13.596 10.000 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.463 12.254 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.696 10.073 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.472 10.845 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.278 10.862 9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.238 11.448 10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.878 12.287 11.277 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.139 13.224 10.441 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.044 16.655 8.821 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.019 17.634 8.474 1.00 0.00 C ATOM 1440 C ASP A 94 -2.630 17.002 8.507 1.00 0.00 C ATOM 1441 O ASP A 94 -2.236 16.396 9.503 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.075 18.823 9.435 1.00 0.00 C ATOM 1443 CG ASP A 94 -4.887 19.978 8.878 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -4.831 20.204 7.651 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -5.575 20.654 9.670 1.00 0.00 O ATOM 0 H ASP A 94 -5.493 16.817 9.723 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.214 17.985 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.508 18.501 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.062 19.164 9.647 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.894 17.149 7.410 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.550 16.594 7.310 1.00 0.00 C ATOM 1452 C VAL A 95 0.505 17.491 7.970 1.00 0.00 C ATOM 1453 O VAL A 95 1.537 16.995 8.423 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.151 16.336 5.842 1.00 0.00 C ATOM 1455 CG1 VAL A 95 -0.054 17.642 5.067 1.00 0.00 C ATOM 1456 CG2 VAL A 95 1.160 15.565 5.772 1.00 0.00 C ATOM 0 H VAL A 95 -2.207 17.648 6.577 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.579 15.646 7.847 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.929 15.730 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.229 17.433 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.020 18.147 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.699 18.283 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.425 15.392 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.948 16.142 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.047 14.608 6.281 1.00 0.00 H new ATOM 1466 N PRO A 96 0.281 18.822 8.038 1.00 0.00 N ATOM 1467 CA PRO A 96 1.239 19.741 8.646 1.00 0.00 C ATOM 1468 C PRO A 96 1.057 19.866 10.157 1.00 0.00 C ATOM 1469 O PRO A 96 1.024 20.970 10.699 1.00 0.00 O ATOM 1470 CB PRO A 96 0.918 21.062 7.956 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.549 21.000 7.685 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.907 19.540 7.533 1.00 0.00 C ATOM 0 HA PRO A 96 2.269 19.408 8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.168 21.912 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.487 21.176 7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.112 21.452 8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.798 21.555 6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.799 19.287 8.106 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.114 19.287 6.493 1.00 0.00 H new ATOM 1480 N ALA A 97 0.938 18.725 10.829 1.00 0.00 N ATOM 1481 CA ALA A 97 0.761 18.700 12.277 1.00 0.00 C ATOM 1482 C ALA A 97 0.620 17.269 12.782 1.00 0.00 C ATOM 1483 O ALA A 97 -0.182 16.991 13.675 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.453 19.527 12.680 1.00 0.00 C ATOM 0 H ALA A 97 0.961 17.803 10.393 1.00 0.00 H new ATOM 0 HA ALA A 97 1.648 19.138 12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.570 19.497 13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.313 20.559 12.358 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.346 19.117 12.207 1.00 0.00 H new ATOM 1490 N CYS A 98 1.403 16.364 12.204 1.00 0.00 N ATOM 1491 CA CYS A 98 1.366 14.959 12.592 1.00 0.00 C ATOM 1492 C CYS A 98 2.723 14.502 13.116 1.00 0.00 C ATOM 1493 O CYS A 98 3.704 15.244 13.061 1.00 0.00 O ATOM 1494 CB CYS A 98 0.948 14.092 11.404 1.00 0.00 C ATOM 1495 SG CYS A 98 -0.839 13.851 11.258 1.00 0.00 S ATOM 0 H CYS A 98 2.072 16.579 11.464 1.00 0.00 H new ATOM 0 HA CYS A 98 0.633 14.848 13.391 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.318 14.549 10.486 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.429 13.118 11.492 1.00 0.00 H new ATOM 0 HG CYS A 98 -1.356 14.836 10.585 1.00 0.00 H new ATOM 1501 N GLN A 99 2.772 13.275 13.624 1.00 0.00 N ATOM 1502 CA GLN A 99 4.007 12.716 14.158 1.00 0.00 C ATOM 1503 C GLN A 99 4.022 11.198 14.010 1.00 0.00 C ATOM 1504 O GLN A 99 3.374 10.485 14.776 1.00 0.00 O ATOM 1505 CB GLN A 99 4.175 13.105 15.630 1.00 0.00 C ATOM 1506 CG GLN A 99 5.321 14.070 15.877 1.00 0.00 C ATOM 1507 CD GLN A 99 6.010 13.831 17.206 1.00 0.00 C ATOM 1508 OE1 GLN A 99 6.114 14.734 18.035 1.00 0.00 O ATOM 1509 NE2 GLN A 99 6.484 12.609 17.415 1.00 0.00 N ATOM 0 H GLN A 99 1.969 12.648 13.677 1.00 0.00 H new ATOM 0 HA GLN A 99 4.841 13.126 13.588 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.249 13.556 15.986 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.338 12.203 16.219 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.050 13.976 15.072 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.943 15.092 15.847 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.375 11.890 16.699 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.957 12.388 18.291 1.00 0.00 H new ATOM 1518 N ILE A 100 4.762 10.711 13.020 1.00 0.00 N ATOM 1519 CA ILE A 100 4.859 9.277 12.776 1.00 0.00 C ATOM 1520 C ILE A 100 5.833 8.620 13.748 1.00 0.00 C ATOM 1521 O ILE A 100 6.701 9.282 14.316 1.00 0.00 O ATOM 1522 CB ILE A 100 5.314 8.979 11.333 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.567 9.872 10.341 1.00 0.00 C ATOM 1524 CG2 ILE A 100 5.090 7.510 11.003 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.075 9.621 10.303 1.00 0.00 C ATOM 0 H ILE A 100 5.302 11.287 12.375 1.00 0.00 H new ATOM 0 HA ILE A 100 3.862 8.864 12.927 1.00 0.00 H new ATOM 0 HB ILE A 100 6.379 9.194 11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.745 10.916 10.600 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.979 9.716 9.344 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.415 7.313 9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.664 6.891 11.692 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.030 7.273 11.098 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.612 10.290 9.578 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.887 8.587 10.014 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.650 9.805 11.290 1.00 0.00 H new ATOM 1537 N ALA A 101 5.682 7.313 13.936 1.00 0.00 N ATOM 1538 CA ALA A 101 6.547 6.566 14.840 1.00 0.00 C ATOM 1539 C ALA A 101 6.597 5.092 14.456 1.00 0.00 C ATOM 1540 O ALA A 101 5.756 4.300 14.883 1.00 0.00 O ATOM 1541 CB ALA A 101 6.072 6.724 16.275 1.00 0.00 C ATOM 0 H ALA A 101 4.968 6.750 13.474 1.00 0.00 H new ATOM 0 HA ALA A 101 7.556 6.971 14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.727 6.161 16.939 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.094 7.778 16.552 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.053 6.347 16.365 1.00 0.00 H new ATOM 1547 N ILE A 102 7.588 4.729 13.647 1.00 0.00 N ATOM 1548 CA ILE A 102 7.746 3.348 13.206 1.00 0.00 C ATOM 1549 C ILE A 102 7.926 2.409 14.393 1.00 0.00 C ATOM 1550 O ILE A 102 8.559 2.760 15.388 1.00 0.00 O ATOM 1551 CB ILE A 102 8.948 3.193 12.252 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.809 4.144 11.062 1.00 0.00 C ATOM 1553 CG2 ILE A 102 9.068 1.749 11.776 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.959 4.059 10.084 1.00 0.00 C ATOM 0 H ILE A 102 8.292 5.371 13.284 1.00 0.00 H new ATOM 0 HA ILE A 102 6.834 3.082 12.671 1.00 0.00 H new ATOM 0 HB ILE A 102 9.858 3.451 12.794 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.879 3.923 10.537 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.732 5.167 11.431 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.921 1.657 11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.211 1.093 12.635 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.158 1.463 11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.794 4.760 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.889 4.309 10.594 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.024 3.046 9.686 1.00 0.00 H new ATOM 1566 N ARG A 103 7.365 1.212 14.275 1.00 0.00 N ATOM 1567 CA ARG A 103 7.461 0.213 15.330 1.00 0.00 C ATOM 1568 C ARG A 103 7.844 -1.147 14.747 1.00 0.00 C ATOM 1569 O ARG A 103 7.072 -1.739 13.992 1.00 0.00 O ATOM 1570 CB ARG A 103 6.130 0.098 16.077 1.00 0.00 C ATOM 1571 CG ARG A 103 5.645 1.415 16.662 1.00 0.00 C ATOM 1572 CD ARG A 103 4.486 1.206 17.626 1.00 0.00 C ATOM 1573 NE ARG A 103 4.776 1.746 18.952 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.073 1.451 20.043 1.00 0.00 C ATOM 1575 NH1 ARG A 103 3.038 0.623 19.970 1.00 0.00 N ATOM 1576 NH2 ARG A 103 4.404 1.985 21.210 1.00 0.00 N ATOM 0 H ARG A 103 6.837 0.910 13.456 1.00 0.00 H new ATOM 0 HA ARG A 103 8.236 0.528 16.029 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.372 -0.288 15.395 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.236 -0.630 16.881 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.467 1.908 17.181 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.333 2.079 15.856 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.591 1.684 17.227 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.269 0.141 17.707 1.00 0.00 H new ATOM 0 HE ARG A 103 5.564 2.387 19.047 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.778 0.209 19.075 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.503 0.400 20.809 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.198 2.622 21.272 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.865 1.759 22.046 1.00 0.00 H new ATOM 1590 N PRO A 104 9.040 -1.665 15.082 1.00 0.00 N ATOM 1591 CA PRO A 104 9.508 -2.961 14.580 1.00 0.00 C ATOM 1592 C PRO A 104 8.812 -4.142 15.259 1.00 0.00 C ATOM 1593 O PRO A 104 9.395 -5.218 15.395 1.00 0.00 O ATOM 1594 CB PRO A 104 11.011 -2.968 14.914 1.00 0.00 C ATOM 1595 CG PRO A 104 11.325 -1.603 15.442 1.00 0.00 C ATOM 1596 CD PRO A 104 10.034 -1.045 15.963 1.00 0.00 C ATOM 0 HA PRO A 104 9.294 -3.075 13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.242 -3.735 15.653 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.606 -3.190 14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 104 12.073 -1.655 16.233 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.734 -0.967 14.657 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.871 -1.309 17.008 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.008 0.043 15.901 1.00 0.00 H new ATOM 1604 N GLU A 105 7.567 -3.938 15.681 1.00 0.00 N ATOM 1605 CA GLU A 105 6.797 -4.983 16.343 1.00 0.00 C ATOM 1606 C GLU A 105 5.389 -4.486 16.662 1.00 0.00 C ATOM 1607 O GLU A 105 5.071 -4.194 17.815 1.00 0.00 O ATOM 1608 CB GLU A 105 7.498 -5.430 17.626 1.00 0.00 C ATOM 1609 CG GLU A 105 6.874 -6.661 18.264 1.00 0.00 C ATOM 1610 CD GLU A 105 6.728 -6.529 19.768 1.00 0.00 C ATOM 1611 OE1 GLU A 105 5.953 -5.659 20.215 1.00 0.00 O ATOM 1612 OE2 GLU A 105 7.390 -7.298 20.497 1.00 0.00 O ATOM 0 H GLU A 105 7.069 -3.054 15.575 1.00 0.00 H new ATOM 0 HA GLU A 105 6.723 -5.836 15.668 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.545 -5.637 17.405 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.480 -4.610 18.344 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.893 -6.837 17.822 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.487 -7.533 18.038 1.00 0.00 H new ATOM 1619 N GLY A 106 4.555 -4.386 15.628 1.00 0.00 N ATOM 1620 CA GLY A 106 3.189 -3.917 15.803 1.00 0.00 C ATOM 1621 C GLY A 106 2.512 -4.495 17.030 1.00 0.00 C ATOM 1622 O GLY A 106 2.501 -3.872 18.091 1.00 0.00 O ATOM 0 H GLY A 106 4.803 -4.623 14.667 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.192 -2.829 15.876 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.607 -4.176 14.919 1.00 0.00 H new ATOM 1626 N LYS A 107 1.943 -5.689 16.887 1.00 0.00 N ATOM 1627 CA LYS A 107 1.261 -6.340 18.000 1.00 0.00 C ATOM 1628 C LYS A 107 0.799 -7.745 17.620 1.00 0.00 C ATOM 1629 O LYS A 107 1.445 -8.735 17.961 1.00 0.00 O ATOM 1630 CB LYS A 107 0.065 -5.497 18.451 1.00 0.00 C ATOM 1631 CG LYS A 107 0.249 -4.862 19.820 1.00 0.00 C ATOM 1632 CD LYS A 107 -0.850 -3.855 20.116 1.00 0.00 C ATOM 1633 CE LYS A 107 -0.314 -2.651 20.874 1.00 0.00 C ATOM 1634 NZ LYS A 107 -0.432 -2.825 22.348 1.00 0.00 N ATOM 0 H LYS A 107 1.941 -6.222 16.017 1.00 0.00 H new ATOM 0 HA LYS A 107 1.969 -6.428 18.824 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.113 -4.712 17.716 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.826 -6.125 18.468 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.250 -5.638 20.586 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.219 -4.368 19.866 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.304 -3.525 19.181 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.636 -4.334 20.700 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.731 -2.492 20.610 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.859 -1.758 20.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.056 -1.983 22.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.432 -2.952 22.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.109 -3.663 22.643 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.328 -7.821 16.922 1.00 0.00 N ATOM 1649 CA ASN A 108 -0.886 -9.102 16.504 1.00 0.00 C ATOM 1650 C ASN A 108 -0.486 -9.437 15.070 1.00 0.00 C ATOM 1651 O ASN A 108 -0.958 -8.812 14.121 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.410 -9.077 16.628 1.00 0.00 C ATOM 1653 CG ASN A 108 -2.869 -8.958 18.068 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -2.825 -9.926 18.828 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -3.316 -7.767 18.449 1.00 0.00 N ATOM 0 H ASN A 108 -0.874 -7.009 16.633 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.483 -9.875 17.159 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.805 -8.240 16.053 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.823 -9.987 16.192 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.641 -7.626 19.406 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.334 -6.993 17.785 1.00 0.00 H new ATOM 1662 N ASN A 109 0.381 -10.435 14.921 1.00 0.00 N ATOM 1663 CA ASN A 109 0.845 -10.866 13.604 1.00 0.00 C ATOM 1664 C ASN A 109 1.280 -9.675 12.754 1.00 0.00 C ATOM 1665 O ASN A 109 1.033 -9.636 11.549 1.00 0.00 O ATOM 1666 CB ASN A 109 -0.258 -11.643 12.884 1.00 0.00 C ATOM 1667 CG ASN A 109 -0.584 -12.955 13.571 1.00 0.00 C ATOM 1668 OD1 ASN A 109 -1.719 -13.188 13.986 1.00 0.00 O ATOM 1669 ND2 ASN A 109 0.416 -13.821 13.696 1.00 0.00 N ATOM 0 H ASN A 109 0.778 -10.962 15.699 1.00 0.00 H new ATOM 0 HA ASN A 109 1.708 -11.515 13.749 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.157 -11.029 12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.051 -11.840 11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.258 -14.720 14.151 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.342 -13.587 13.337 1.00 0.00 H new ATOM 1676 N ARG A 110 1.928 -8.706 13.390 1.00 0.00 N ATOM 1677 CA ARG A 110 2.396 -7.515 12.690 1.00 0.00 C ATOM 1678 C ARG A 110 3.776 -7.097 13.188 1.00 0.00 C ATOM 1679 O ARG A 110 3.931 -6.673 14.334 1.00 0.00 O ATOM 1680 CB ARG A 110 1.404 -6.366 12.875 1.00 0.00 C ATOM 1681 CG ARG A 110 0.238 -6.407 11.901 1.00 0.00 C ATOM 1682 CD ARG A 110 0.671 -6.017 10.496 1.00 0.00 C ATOM 1683 NE ARG A 110 0.799 -7.179 9.620 1.00 0.00 N ATOM 1684 CZ ARG A 110 -0.232 -7.785 9.036 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -1.469 -7.346 9.235 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -0.027 -8.836 8.253 1.00 0.00 N ATOM 0 H ARG A 110 2.141 -8.721 14.387 1.00 0.00 H new ATOM 0 HA ARG A 110 2.470 -7.754 11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.017 -6.392 13.894 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.931 -5.419 12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.190 -7.409 11.886 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.546 -5.731 12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.055 -5.322 10.073 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.625 -5.492 10.543 1.00 0.00 H new ATOM 0 HE ARG A 110 1.734 -7.548 9.446 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.633 -6.540 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.255 -7.815 8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.921 -9.180 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.817 -9.300 7.805 1.00 0.00 H new ATOM 1700 N LEU A 111 4.774 -7.218 12.319 1.00 0.00 N ATOM 1701 CA LEU A 111 6.142 -6.851 12.669 1.00 0.00 C ATOM 1702 C LEU A 111 6.457 -5.432 12.209 1.00 0.00 C ATOM 1703 O LEU A 111 7.217 -4.712 12.857 1.00 0.00 O ATOM 1704 CB LEU A 111 7.133 -7.836 12.043 1.00 0.00 C ATOM 1705 CG LEU A 111 6.857 -8.189 10.581 1.00 0.00 C ATOM 1706 CD1 LEU A 111 8.162 -8.331 9.811 1.00 0.00 C ATOM 1707 CD2 LEU A 111 6.039 -9.469 10.487 1.00 0.00 C ATOM 0 H LEU A 111 4.662 -7.567 11.367 1.00 0.00 H new ATOM 0 HA LEU A 111 6.238 -6.892 13.754 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.136 -7.415 12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.129 -8.755 12.630 1.00 0.00 H new ATOM 0 HG LEU A 111 6.281 -7.379 10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.946 -8.582 8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.712 -7.391 9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.764 -9.122 10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.852 -9.705 9.439 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.590 -10.288 10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.089 -9.332 11.003 1.00 0.00 H new ATOM 1719 N PHE A 112 5.869 -5.036 11.084 1.00 0.00 N ATOM 1720 CA PHE A 112 6.086 -3.702 10.536 1.00 0.00 C ATOM 1721 C PHE A 112 4.842 -2.836 10.706 1.00 0.00 C ATOM 1722 O PHE A 112 3.840 -3.029 10.018 1.00 0.00 O ATOM 1723 CB PHE A 112 6.461 -3.793 9.055 1.00 0.00 C ATOM 1724 CG PHE A 112 7.945 -3.804 8.812 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.758 -4.727 9.452 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.525 -2.892 7.946 1.00 0.00 C ATOM 1727 CE1 PHE A 112 10.120 -4.739 9.231 1.00 0.00 C ATOM 1728 CE2 PHE A 112 9.889 -2.899 7.723 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.688 -3.823 8.365 1.00 0.00 C ATOM 0 H PHE A 112 5.239 -5.620 10.534 1.00 0.00 H new ATOM 0 HA PHE A 112 6.906 -3.239 11.084 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.025 -4.698 8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.020 -2.949 8.524 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.321 -5.444 10.131 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.905 -2.167 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.742 -5.464 9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.329 -2.182 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.754 -3.831 8.191 1.00 0.00 H new ATOM 1739 N VAL A 113 4.913 -1.882 11.628 1.00 0.00 N ATOM 1740 CA VAL A 113 3.794 -0.986 11.891 1.00 0.00 C ATOM 1741 C VAL A 113 4.281 0.368 12.397 1.00 0.00 C ATOM 1742 O VAL A 113 5.118 0.439 13.295 1.00 0.00 O ATOM 1743 CB VAL A 113 2.825 -1.590 12.925 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.573 -0.733 13.049 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.468 -3.019 12.551 1.00 0.00 C ATOM 0 H VAL A 113 5.735 -1.710 12.206 1.00 0.00 H new ATOM 0 HA VAL A 113 3.268 -0.849 10.946 1.00 0.00 H new ATOM 0 HB VAL A 113 3.322 -1.607 13.895 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.900 -1.176 13.784 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.850 0.271 13.369 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.071 -0.680 12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.783 -3.429 13.293 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.991 -3.030 11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.374 -3.624 12.520 1.00 0.00 H new ATOM 1755 N PHE A 114 3.752 1.440 11.816 1.00 0.00 N ATOM 1756 CA PHE A 114 4.135 2.789 12.213 1.00 0.00 C ATOM 1757 C PHE A 114 2.950 3.535 12.819 1.00 0.00 C ATOM 1758 O PHE A 114 1.908 3.685 12.183 1.00 0.00 O ATOM 1759 CB PHE A 114 4.681 3.563 11.011 1.00 0.00 C ATOM 1760 CG PHE A 114 3.706 3.675 9.873 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.513 2.616 9.002 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.983 4.841 9.677 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.618 2.716 7.954 1.00 0.00 C ATOM 1764 CE2 PHE A 114 2.086 4.948 8.631 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.903 3.884 7.768 1.00 0.00 C ATOM 0 H PHE A 114 3.058 1.400 11.070 1.00 0.00 H new ATOM 0 HA PHE A 114 4.916 2.710 12.969 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.966 4.564 11.334 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.587 3.073 10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 114 4.069 1.701 9.143 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.122 5.675 10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.477 1.883 7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.529 5.862 8.488 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.203 3.965 6.950 1.00 0.00 H new ATOM 1775 N SER A 115 3.119 3.996 14.053 1.00 0.00 N ATOM 1776 CA SER A 115 2.063 4.724 14.749 1.00 0.00 C ATOM 1777 C SER A 115 2.156 6.220 14.470 1.00 0.00 C ATOM 1778 O SER A 115 3.215 6.828 14.631 1.00 0.00 O ATOM 1779 CB SER A 115 2.145 4.467 16.255 1.00 0.00 C ATOM 1780 OG SER A 115 1.799 3.128 16.564 1.00 0.00 O ATOM 0 H SER A 115 3.977 3.879 14.593 1.00 0.00 H new ATOM 0 HA SER A 115 1.103 4.364 14.378 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.155 4.676 16.608 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.476 5.149 16.780 1.00 0.00 H new ATOM 0 HG SER A 115 0.833 3.005 16.450 1.00 0.00 H new ATOM 1786 N ILE A 116 1.040 6.810 14.051 1.00 0.00 N ATOM 1787 CA ILE A 116 0.994 8.236 13.751 1.00 0.00 C ATOM 1788 C ILE A 116 0.359 9.015 14.897 1.00 0.00 C ATOM 1789 O ILE A 116 -0.377 8.453 15.708 1.00 0.00 O ATOM 1790 CB ILE A 116 0.204 8.514 12.455 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.599 7.518 11.362 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.438 9.942 11.988 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.171 7.699 10.073 1.00 0.00 C ATOM 0 H ILE A 116 0.155 6.321 13.912 1.00 0.00 H new ATOM 0 HA ILE A 116 2.024 8.565 13.616 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.859 8.390 12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.665 7.620 11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.441 6.505 11.731 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.126 10.123 11.073 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.108 10.636 12.761 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.500 10.092 11.795 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.161 6.960 9.344 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.236 7.568 10.264 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.006 8.700 9.681 1.00 0.00 H new ATOM 1805 N SER A 117 0.647 10.311 14.958 1.00 0.00 N ATOM 1806 CA SER A 117 0.101 11.165 16.009 1.00 0.00 C ATOM 1807 C SER A 117 -0.039 12.604 15.525 1.00 0.00 C ATOM 1808 O SER A 117 0.121 12.890 14.339 1.00 0.00 O ATOM 1809 CB SER A 117 0.994 11.115 17.250 1.00 0.00 C ATOM 1810 OG SER A 117 2.193 11.839 17.044 1.00 0.00 O ATOM 0 H SER A 117 1.254 10.793 14.294 1.00 0.00 H new ATOM 0 HA SER A 117 -0.890 10.792 16.268 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.458 11.528 18.104 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.228 10.078 17.492 1.00 0.00 H new ATOM 0 HG SER A 117 2.746 11.793 17.852 1.00 0.00 H new ATOM 1816 N MET A 118 -0.341 13.508 16.454 1.00 0.00 N ATOM 1817 CA MET A 118 -0.504 14.919 16.122 1.00 0.00 C ATOM 1818 C MET A 118 -0.041 15.812 17.274 1.00 0.00 C ATOM 1819 O MET A 118 -0.733 15.937 18.285 1.00 0.00 O ATOM 1820 CB MET A 118 -1.968 15.218 15.790 1.00 0.00 C ATOM 1821 CG MET A 118 -2.576 14.242 14.797 1.00 0.00 C ATOM 1822 SD MET A 118 -4.064 14.890 14.011 1.00 0.00 S ATOM 1823 CE MET A 118 -3.349 16.010 12.808 1.00 0.00 C ATOM 0 H MET A 118 -0.477 13.288 17.441 1.00 0.00 H new ATOM 0 HA MET A 118 0.114 15.134 15.250 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.552 15.199 16.710 1.00 0.00 H new ATOM 0 HB3 MET A 118 -2.042 16.228 15.386 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.839 14.003 14.030 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.816 13.310 15.309 1.00 0.00 H new ATOM 0 HE1 MET A 118 -3.617 17.036 13.062 1.00 0.00 H new ATOM 0 HE2 MET A 118 -2.264 15.906 12.814 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.731 15.770 11.816 1.00 0.00 H new ATOM 1833 N PRO A 119 1.138 16.447 17.139 1.00 0.00 N ATOM 1834 CA PRO A 119 1.681 17.328 18.176 1.00 0.00 C ATOM 1835 C PRO A 119 1.018 18.703 18.176 1.00 0.00 C ATOM 1836 O PRO A 119 1.685 19.724 18.007 1.00 0.00 O ATOM 1837 CB PRO A 119 3.154 17.442 17.790 1.00 0.00 C ATOM 1838 CG PRO A 119 3.161 17.300 16.308 1.00 0.00 C ATOM 1839 CD PRO A 119 2.033 16.359 15.969 1.00 0.00 C ATOM 0 HA PRO A 119 1.514 16.937 19.180 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.573 18.400 18.099 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.751 16.664 18.266 1.00 0.00 H new ATOM 0 HG2 PRO A 119 3.020 18.266 15.824 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.115 16.905 15.960 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.524 16.658 15.053 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.393 15.342 15.816 1.00 0.00 H new ATOM 1847 N SER A 120 -0.296 18.720 18.367 1.00 0.00 N ATOM 1848 CA SER A 120 -1.049 19.970 18.390 1.00 0.00 C ATOM 1849 C SER A 120 -2.522 19.712 18.694 1.00 0.00 C ATOM 1850 O SER A 120 -3.126 20.398 19.517 1.00 0.00 O ATOM 1851 CB SER A 120 -0.913 20.697 17.051 1.00 0.00 C ATOM 1852 OG SER A 120 -0.795 22.097 17.240 1.00 0.00 O ATOM 0 H SER A 120 -0.862 17.884 18.508 1.00 0.00 H new ATOM 0 HA SER A 120 -0.638 20.598 19.180 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.038 20.324 16.518 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.781 20.483 16.428 1.00 0.00 H new ATOM 0 HG SER A 120 -0.708 22.538 16.369 1.00 0.00 H new ATOM 1858 N VAL A 121 -3.089 18.714 18.025 1.00 0.00 N ATOM 1859 CA VAL A 121 -4.489 18.360 18.223 1.00 0.00 C ATOM 1860 C VAL A 121 -4.725 17.833 19.634 1.00 0.00 C ATOM 1861 O VAL A 121 -5.416 18.461 20.437 1.00 0.00 O ATOM 1862 CB VAL A 121 -4.942 17.287 17.212 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -6.428 17.000 17.361 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -4.613 17.719 15.792 1.00 0.00 C ATOM 0 H VAL A 121 -2.600 18.136 17.341 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.072 19.269 18.070 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.398 16.366 17.422 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.726 16.240 16.638 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.630 16.640 18.370 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.995 17.914 17.182 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.940 16.950 15.093 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.126 18.654 15.568 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.537 17.863 15.696 1.00 0.00 H new ATOM 1874 N ALA A 122 -4.147 16.674 19.921 1.00 0.00 N ATOM 1875 CA ALA A 122 -4.284 16.043 21.226 1.00 0.00 C ATOM 1876 C ALA A 122 -3.516 14.726 21.260 1.00 0.00 C ATOM 1877 O ALA A 122 -2.559 14.542 20.507 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.758 15.820 21.548 1.00 0.00 C ATOM 0 H ALA A 122 -3.574 16.148 19.261 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.862 16.703 21.984 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.849 15.348 22.526 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -6.277 16.778 21.558 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -6.202 15.174 20.790 1.00 0.00 H new ATOM 1884 N GLN A 123 -3.933 13.810 22.128 1.00 0.00 N ATOM 1885 CA GLN A 123 -3.273 12.515 22.239 1.00 0.00 C ATOM 1886 C GLN A 123 -3.816 11.532 21.203 1.00 0.00 C ATOM 1887 O GLN A 123 -4.140 10.389 21.528 1.00 0.00 O ATOM 1888 CB GLN A 123 -3.457 11.945 23.648 1.00 0.00 C ATOM 1889 CG GLN A 123 -4.904 11.637 23.997 1.00 0.00 C ATOM 1890 CD GLN A 123 -5.274 12.083 25.397 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -4.423 12.155 26.284 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -6.551 12.385 25.605 1.00 0.00 N ATOM 0 H GLN A 123 -4.721 13.940 22.762 1.00 0.00 H new ATOM 0 HA GLN A 123 -2.210 12.661 22.049 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -2.868 11.033 23.741 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -3.061 12.656 24.373 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -5.560 12.128 23.278 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.076 10.565 23.904 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -7.223 12.311 24.842 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -6.859 12.690 26.528 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.912 11.980 19.952 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.414 11.136 18.874 1.00 0.00 C ATOM 1903 C TRP A 124 -3.326 10.190 18.375 1.00 0.00 C ATOM 1904 O TRP A 124 -2.217 10.619 18.055 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.923 11.998 17.717 1.00 0.00 C ATOM 1906 CG TRP A 124 -6.289 12.566 17.955 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -6.635 13.516 18.871 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -7.494 12.217 17.263 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -7.982 13.780 18.792 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -8.530 12.995 17.812 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -7.796 11.323 16.232 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -9.846 12.905 17.363 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -9.101 11.234 15.788 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -10.114 12.022 16.353 1.00 0.00 C ATOM 0 H TRP A 124 -3.649 12.922 19.662 1.00 0.00 H new ATOM 0 HA TRP A 124 -5.239 10.541 19.266 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -4.222 12.815 17.547 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.940 11.398 16.807 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -5.951 13.991 19.558 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.490 14.451 19.369 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -7.022 10.712 15.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -10.627 13.511 17.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -9.345 10.546 14.992 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -11.125 11.930 15.984 1.00 0.00 H new ATOM 1925 N SER A 125 -3.650 8.904 18.309 1.00 0.00 N ATOM 1926 CA SER A 125 -2.698 7.900 17.848 1.00 0.00 C ATOM 1927 C SER A 125 -3.343 6.963 16.832 1.00 0.00 C ATOM 1928 O SER A 125 -4.265 6.217 17.160 1.00 0.00 O ATOM 1929 CB SER A 125 -2.161 7.095 19.032 1.00 0.00 C ATOM 1930 OG SER A 125 -3.098 7.060 20.093 1.00 0.00 O ATOM 0 H SER A 125 -4.564 8.532 18.569 1.00 0.00 H new ATOM 0 HA SER A 125 -1.870 8.417 17.363 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.933 6.079 18.711 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.228 7.536 19.382 1.00 0.00 H new ATOM 0 HG SER A 125 -2.731 6.538 20.837 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.852 7.008 15.597 1.00 0.00 N ATOM 1937 CA LEU A 126 -3.382 6.161 14.534 1.00 0.00 C ATOM 1938 C LEU A 126 -2.353 5.123 14.097 1.00 0.00 C ATOM 1939 O LEU A 126 -1.320 5.464 13.521 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.800 7.014 13.335 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.782 6.343 12.372 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -6.204 6.801 12.654 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -4.401 6.639 10.929 1.00 0.00 C ATOM 0 H LEU A 126 -2.089 7.621 15.308 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.255 5.638 14.924 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.249 7.936 13.704 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.905 7.295 12.780 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.732 5.265 12.526 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.888 6.313 11.959 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.475 6.537 13.676 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.270 7.882 12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.110 6.154 10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.421 7.716 10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.398 6.260 10.732 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.642 3.856 14.374 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.741 2.769 14.008 1.00 0.00 C ATOM 1957 C ASP A 127 -1.937 2.369 12.549 1.00 0.00 C ATOM 1958 O ASP A 127 -3.053 2.074 12.120 1.00 0.00 O ATOM 1959 CB ASP A 127 -1.972 1.559 14.916 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.513 1.810 16.339 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -0.311 1.616 16.618 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -2.355 2.202 17.175 1.00 0.00 O ATOM 0 H ASP A 127 -3.493 3.557 14.851 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.717 3.120 14.136 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.032 1.307 14.918 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.440 0.698 14.512 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.846 2.360 11.791 1.00 0.00 N ATOM 1968 CA VAL A 128 -0.899 1.995 10.381 1.00 0.00 C ATOM 1969 C VAL A 128 0.256 1.069 10.010 1.00 0.00 C ATOM 1970 O VAL A 128 1.306 1.082 10.653 1.00 0.00 O ATOM 1971 CB VAL A 128 -0.853 3.239 9.476 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.118 2.858 8.027 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -1.853 4.282 9.951 1.00 0.00 C ATOM 0 H VAL A 128 0.085 2.601 12.130 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.845 1.476 10.224 1.00 0.00 H new ATOM 0 HB VAL A 128 0.146 3.671 9.536 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.081 3.751 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.360 2.150 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.103 2.399 7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.806 5.154 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.858 3.862 9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.612 4.579 10.972 1.00 0.00 H new ATOM 1983 N ALA A 129 0.055 0.267 8.970 1.00 0.00 N ATOM 1984 CA ALA A 129 1.079 -0.667 8.516 1.00 0.00 C ATOM 1985 C ALA A 129 0.813 -1.122 7.085 1.00 0.00 C ATOM 1986 O ALA A 129 -0.281 -1.587 6.763 1.00 0.00 O ATOM 1987 CB ALA A 129 1.148 -1.866 9.448 1.00 0.00 C ATOM 0 H ALA A 129 -0.807 0.245 8.426 1.00 0.00 H new ATOM 0 HA ALA A 129 2.039 -0.151 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.916 -2.555 9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.394 -1.530 10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.183 -2.373 9.460 1.00 0.00 H new ATOM 1993 N ALA A 130 1.821 -0.986 6.228 1.00 0.00 N ATOM 1994 CA ALA A 130 1.698 -1.384 4.832 1.00 0.00 C ATOM 1995 C ALA A 130 2.170 -2.821 4.630 1.00 0.00 C ATOM 1996 O ALA A 130 3.137 -3.260 5.252 1.00 0.00 O ATOM 1997 CB ALA A 130 2.487 -0.437 3.940 1.00 0.00 C ATOM 0 H ALA A 130 2.733 -0.603 6.478 1.00 0.00 H new ATOM 0 HA ALA A 130 0.645 -1.331 4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.385 -0.747 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.103 0.576 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.539 -0.461 4.225 1.00 0.00 H new ATOM 2003 N ASP A 131 1.480 -3.550 3.757 1.00 0.00 N ATOM 2004 CA ASP A 131 1.830 -4.940 3.474 1.00 0.00 C ATOM 2005 C ASP A 131 3.282 -5.054 3.021 1.00 0.00 C ATOM 2006 O ASP A 131 3.980 -6.006 3.368 1.00 0.00 O ATOM 2007 CB ASP A 131 0.902 -5.513 2.402 1.00 0.00 C ATOM 2008 CG ASP A 131 1.067 -7.010 2.237 1.00 0.00 C ATOM 2009 OD1 ASP A 131 0.672 -7.757 3.158 1.00 0.00 O ATOM 2010 OD2 ASP A 131 1.591 -7.438 1.186 1.00 0.00 O ATOM 0 H ASP A 131 0.676 -3.203 3.234 1.00 0.00 H new ATOM 0 HA ASP A 131 1.709 -5.514 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.132 -5.291 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.103 -5.021 1.450 1.00 0.00 H new ATOM 2015 N SER A 132 3.728 -4.074 2.244 1.00 0.00 N ATOM 2016 CA SER A 132 5.097 -4.055 1.741 1.00 0.00 C ATOM 2017 C SER A 132 5.979 -3.168 2.608 1.00 0.00 C ATOM 2018 O SER A 132 5.795 -1.952 2.658 1.00 0.00 O ATOM 2019 CB SER A 132 5.124 -3.564 0.292 1.00 0.00 C ATOM 2020 OG SER A 132 3.849 -3.688 -0.313 1.00 0.00 O ATOM 0 H SER A 132 3.160 -3.280 1.948 1.00 0.00 H new ATOM 0 HA SER A 132 5.487 -5.072 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 132 5.443 -2.522 0.264 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.857 -4.138 -0.276 1.00 0.00 H new ATOM 0 HG SER A 132 3.893 -3.366 -1.238 1.00 0.00 H new ATOM 2026 N GLN A 133 6.943 -3.784 3.287 1.00 0.00 N ATOM 2027 CA GLN A 133 7.861 -3.048 4.150 1.00 0.00 C ATOM 2028 C GLN A 133 8.426 -1.835 3.419 1.00 0.00 C ATOM 2029 O GLN A 133 8.781 -0.832 4.039 1.00 0.00 O ATOM 2030 CB GLN A 133 9.000 -3.957 4.613 1.00 0.00 C ATOM 2031 CG GLN A 133 9.672 -4.715 3.480 1.00 0.00 C ATOM 2032 CD GLN A 133 10.028 -6.139 3.864 1.00 0.00 C ATOM 2033 OE1 GLN A 133 9.544 -7.096 3.259 1.00 0.00 O ATOM 2034 NE2 GLN A 133 10.880 -6.285 4.872 1.00 0.00 N ATOM 0 H GLN A 133 7.108 -4.790 3.256 1.00 0.00 H new ATOM 0 HA GLN A 133 7.308 -2.703 5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.747 -3.355 5.130 1.00 0.00 H new ATOM 0 HB3 GLN A 133 8.611 -4.673 5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.010 -4.730 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.577 -4.186 3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 133 11.256 -5.463 5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 133 11.158 -7.219 5.173 1.00 0.00 H new ATOM 2043 N GLU A 134 8.496 -1.931 2.094 1.00 0.00 N ATOM 2044 CA GLU A 134 9.007 -0.837 1.279 1.00 0.00 C ATOM 2045 C GLU A 134 7.989 0.292 1.210 1.00 0.00 C ATOM 2046 O GLU A 134 8.339 1.468 1.317 1.00 0.00 O ATOM 2047 CB GLU A 134 9.347 -1.331 -0.129 1.00 0.00 C ATOM 2048 CG GLU A 134 10.723 -0.898 -0.609 1.00 0.00 C ATOM 2049 CD GLU A 134 10.931 -1.151 -2.089 1.00 0.00 C ATOM 2050 OE1 GLU A 134 11.279 -2.294 -2.452 1.00 0.00 O ATOM 2051 OE2 GLU A 134 10.746 -0.207 -2.884 1.00 0.00 O ATOM 0 H GLU A 134 8.206 -2.753 1.565 1.00 0.00 H new ATOM 0 HA GLU A 134 9.918 -0.458 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.291 -2.419 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.595 -0.962 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.858 0.164 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.486 -1.432 -0.042 1.00 0.00 H new ATOM 2058 N GLU A 135 6.725 -0.076 1.046 1.00 0.00 N ATOM 2059 CA GLU A 135 5.648 0.902 0.978 1.00 0.00 C ATOM 2060 C GLU A 135 5.447 1.556 2.340 1.00 0.00 C ATOM 2061 O GLU A 135 5.046 2.716 2.431 1.00 0.00 O ATOM 2062 CB GLU A 135 4.350 0.239 0.512 1.00 0.00 C ATOM 2063 CG GLU A 135 3.997 0.544 -0.934 1.00 0.00 C ATOM 2064 CD GLU A 135 5.125 0.216 -1.892 1.00 0.00 C ATOM 2065 OE1 GLU A 135 5.687 -0.894 -1.791 1.00 0.00 O ATOM 2066 OE2 GLU A 135 5.446 1.071 -2.745 1.00 0.00 O ATOM 0 H GLU A 135 6.421 -1.045 0.958 1.00 0.00 H new ATOM 0 HA GLU A 135 5.922 1.670 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.438 -0.840 0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.533 0.568 1.154 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.110 -0.024 -1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.742 1.600 -1.027 1.00 0.00 H new ATOM 2073 N LEU A 136 5.737 0.801 3.396 1.00 0.00 N ATOM 2074 CA LEU A 136 5.598 1.305 4.757 1.00 0.00 C ATOM 2075 C LEU A 136 6.635 2.384 5.032 1.00 0.00 C ATOM 2076 O LEU A 136 6.318 3.441 5.577 1.00 0.00 O ATOM 2077 CB LEU A 136 5.747 0.164 5.766 1.00 0.00 C ATOM 2078 CG LEU A 136 5.546 0.562 7.229 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.918 -0.580 8.015 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.870 0.979 7.853 1.00 0.00 C ATOM 0 H LEU A 136 6.069 -0.161 3.334 1.00 0.00 H new ATOM 0 HA LEU A 136 4.604 1.739 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.029 -0.617 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.741 -0.270 5.657 1.00 0.00 H new ATOM 0 HG LEU A 136 4.866 1.413 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.784 -0.276 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.950 -0.831 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.570 -1.452 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.709 1.259 8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.573 0.147 7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.278 1.830 7.307 1.00 0.00 H new ATOM 2092 N GLN A 137 7.874 2.112 4.643 1.00 0.00 N ATOM 2093 CA GLN A 137 8.961 3.063 4.837 1.00 0.00 C ATOM 2094 C GLN A 137 8.760 4.283 3.950 1.00 0.00 C ATOM 2095 O GLN A 137 8.950 5.420 4.382 1.00 0.00 O ATOM 2096 CB GLN A 137 10.308 2.408 4.535 1.00 0.00 C ATOM 2097 CG GLN A 137 10.802 1.489 5.640 1.00 0.00 C ATOM 2098 CD GLN A 137 10.885 2.186 6.985 1.00 0.00 C ATOM 2099 OE1 GLN A 137 11.312 3.337 7.076 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.476 1.489 8.039 1.00 0.00 N ATOM 0 H GLN A 137 8.151 1.241 4.191 1.00 0.00 H new ATOM 0 HA GLN A 137 8.957 3.382 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 137 10.225 1.837 3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 137 11.051 3.187 4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 137 10.134 0.631 5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.786 1.103 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.129 0.537 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.509 1.905 8.970 1.00 0.00 H new ATOM 2109 N ASP A 138 8.363 4.036 2.707 1.00 0.00 N ATOM 2110 CA ASP A 138 8.119 5.110 1.757 1.00 0.00 C ATOM 2111 C ASP A 138 6.916 5.937 2.191 1.00 0.00 C ATOM 2112 O ASP A 138 6.845 7.138 1.927 1.00 0.00 O ATOM 2113 CB ASP A 138 7.889 4.542 0.356 1.00 0.00 C ATOM 2114 CG ASP A 138 8.486 5.416 -0.729 1.00 0.00 C ATOM 2115 OD1 ASP A 138 9.508 6.083 -0.459 1.00 0.00 O ATOM 2116 OD2 ASP A 138 7.934 5.434 -1.849 1.00 0.00 O ATOM 0 H ASP A 138 8.204 3.100 2.335 1.00 0.00 H new ATOM 0 HA ASP A 138 8.998 5.755 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.325 3.545 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.818 4.433 0.183 1.00 0.00 H new ATOM 2121 N TRP A 139 5.973 5.286 2.866 1.00 0.00 N ATOM 2122 CA TRP A 139 4.775 5.959 3.348 1.00 0.00 C ATOM 2123 C TRP A 139 5.131 6.978 4.422 1.00 0.00 C ATOM 2124 O TRP A 139 4.667 8.118 4.394 1.00 0.00 O ATOM 2125 CB TRP A 139 3.775 4.942 3.901 1.00 0.00 C ATOM 2126 CG TRP A 139 2.629 4.672 2.979 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.702 4.202 1.700 1.00 0.00 C ATOM 2128 CD2 TRP A 139 1.237 4.858 3.260 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.442 4.084 1.167 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.525 4.482 2.105 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.524 5.308 4.375 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -0.865 4.539 2.036 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -0.855 5.364 4.304 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.536 4.981 3.142 1.00 0.00 C ATOM 0 H TRP A 139 6.017 4.292 3.091 1.00 0.00 H new ATOM 0 HA TRP A 139 4.316 6.481 2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 139 4.295 4.006 4.105 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.388 5.305 4.853 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.618 3.958 1.182 1.00 0.00 H new ATOM 0 HE1 TRP A 139 1.224 3.754 0.227 1.00 0.00 H new ATOM 0 HE3 TRP A 139 1.041 5.606 5.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.393 4.245 1.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.417 5.709 5.159 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.614 5.036 3.119 1.00 0.00 H new ATOM 2145 N VAL A 140 5.960 6.554 5.368 1.00 0.00 N ATOM 2146 CA VAL A 140 6.386 7.424 6.457 1.00 0.00 C ATOM 2147 C VAL A 140 7.144 8.634 5.923 1.00 0.00 C ATOM 2148 O VAL A 140 6.912 9.766 6.352 1.00 0.00 O ATOM 2149 CB VAL A 140 7.281 6.670 7.460 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.622 7.555 8.650 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.604 5.386 7.918 1.00 0.00 C ATOM 0 H VAL A 140 6.351 5.612 5.403 1.00 0.00 H new ATOM 0 HA VAL A 140 5.484 7.759 6.970 1.00 0.00 H new ATOM 0 HB VAL A 140 8.212 6.406 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.254 7.002 9.345 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.152 8.442 8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.704 7.855 9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.250 4.867 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.657 5.626 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.420 4.744 7.056 1.00 0.00 H new ATOM 2161 N LYS A 141 8.048 8.385 4.985 1.00 0.00 N ATOM 2162 CA LYS A 141 8.842 9.452 4.390 1.00 0.00 C ATOM 2163 C LYS A 141 7.955 10.436 3.638 1.00 0.00 C ATOM 2164 O LYS A 141 8.213 11.641 3.635 1.00 0.00 O ATOM 2165 CB LYS A 141 9.894 8.868 3.444 1.00 0.00 C ATOM 2166 CG LYS A 141 10.960 9.869 3.030 1.00 0.00 C ATOM 2167 CD LYS A 141 11.622 9.469 1.721 1.00 0.00 C ATOM 2168 CE LYS A 141 12.905 8.690 1.961 1.00 0.00 C ATOM 2169 NZ LYS A 141 13.960 9.537 2.584 1.00 0.00 N ATOM 0 H LYS A 141 8.250 7.454 4.620 1.00 0.00 H new ATOM 0 HA LYS A 141 9.345 9.987 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 141 10.374 8.017 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.397 8.488 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.512 10.857 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.715 9.943 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.932 8.864 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.841 10.362 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.696 7.837 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.271 8.292 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.896 9.130 2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.910 10.499 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.812 9.575 3.613 1.00 0.00 H new ATOM 2183 N LYS A 142 6.908 9.922 3.005 1.00 0.00 N ATOM 2184 CA LYS A 142 5.986 10.766 2.256 1.00 0.00 C ATOM 2185 C LYS A 142 5.225 11.687 3.196 1.00 0.00 C ATOM 2186 O LYS A 142 5.205 12.902 3.001 1.00 0.00 O ATOM 2187 CB LYS A 142 5.013 9.910 1.441 1.00 0.00 C ATOM 2188 CG LYS A 142 5.152 10.095 -0.061 1.00 0.00 C ATOM 2189 CD LYS A 142 6.556 9.756 -0.537 1.00 0.00 C ATOM 2190 CE LYS A 142 6.966 10.616 -1.723 1.00 0.00 C ATOM 2191 NZ LYS A 142 6.792 9.897 -3.015 1.00 0.00 N ATOM 0 H LYS A 142 6.677 8.929 2.995 1.00 0.00 H new ATOM 0 HA LYS A 142 6.565 11.379 1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.173 8.860 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.992 10.154 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 142 4.429 9.461 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 142 4.916 11.126 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 142 7.263 9.900 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 142 6.602 8.703 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.371 11.529 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 142 8.008 10.916 -1.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 7.082 10.516 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 7.379 9.039 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 5.793 9.633 -3.134 1.00 0.00 H new ATOM 2205 N ILE A 143 4.615 11.113 4.228 1.00 0.00 N ATOM 2206 CA ILE A 143 3.880 11.908 5.202 1.00 0.00 C ATOM 2207 C ILE A 143 4.779 13.009 5.747 1.00 0.00 C ATOM 2208 O ILE A 143 4.331 14.123 6.022 1.00 0.00 O ATOM 2209 CB ILE A 143 3.363 11.042 6.371 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.477 9.914 5.844 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.597 11.897 7.370 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.122 8.884 6.894 1.00 0.00 C ATOM 0 H ILE A 143 4.615 10.109 4.410 1.00 0.00 H new ATOM 0 HA ILE A 143 3.018 12.343 4.696 1.00 0.00 H new ATOM 0 HB ILE A 143 4.220 10.602 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.559 10.342 5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.987 9.418 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.240 11.270 8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.255 12.670 7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.747 12.364 6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.492 8.114 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.034 8.429 7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.584 9.367 7.710 1.00 0.00 H new ATOM 2224 N ARG A 144 6.062 12.686 5.880 1.00 0.00 N ATOM 2225 CA ARG A 144 7.044 13.638 6.372 1.00 0.00 C ATOM 2226 C ARG A 144 7.444 14.615 5.269 1.00 0.00 C ATOM 2227 O ARG A 144 7.816 15.754 5.546 1.00 0.00 O ATOM 2228 CB ARG A 144 8.279 12.903 6.901 1.00 0.00 C ATOM 2229 CG ARG A 144 8.412 12.951 8.415 1.00 0.00 C ATOM 2230 CD ARG A 144 8.971 11.651 8.968 1.00 0.00 C ATOM 2231 NE ARG A 144 9.215 11.727 10.406 1.00 0.00 N ATOM 2232 CZ ARG A 144 10.004 10.886 11.071 1.00 0.00 C ATOM 2233 NH1 ARG A 144 10.627 9.903 10.431 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.171 11.027 12.379 1.00 0.00 N ATOM 0 H ARG A 144 6.444 11.768 5.652 1.00 0.00 H new ATOM 0 HA ARG A 144 6.595 14.203 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.237 11.862 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.171 13.339 6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 144 9.064 13.778 8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.437 13.147 8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.273 10.840 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.902 11.409 8.455 1.00 0.00 H new ATOM 0 HE ARG A 144 8.753 12.469 10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.502 9.790 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 144 11.230 9.261 10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 144 9.695 11.780 12.876 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.776 10.382 12.888 1.00 0.00 H new ATOM 2248 N GLU A 145 7.364 14.165 4.015 1.00 0.00 N ATOM 2249 CA GLU A 145 7.716 15.016 2.885 1.00 0.00 C ATOM 2250 C GLU A 145 6.626 16.047 2.625 1.00 0.00 C ATOM 2251 O GLU A 145 6.911 17.207 2.329 1.00 0.00 O ATOM 2252 CB GLU A 145 7.951 14.171 1.631 1.00 0.00 C ATOM 2253 CG GLU A 145 8.654 14.924 0.512 1.00 0.00 C ATOM 2254 CD GLU A 145 8.549 14.214 -0.823 1.00 0.00 C ATOM 2255 OE1 GLU A 145 9.292 13.230 -1.032 1.00 0.00 O ATOM 2256 OE2 GLU A 145 7.728 14.640 -1.660 1.00 0.00 O ATOM 0 H GLU A 145 7.061 13.225 3.761 1.00 0.00 H new ATOM 0 HA GLU A 145 8.638 15.542 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.545 13.297 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 145 6.992 13.805 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 145 8.224 15.922 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.705 15.052 0.770 1.00 0.00 H new ATOM 2263 N VAL A 146 5.377 15.619 2.756 1.00 0.00 N ATOM 2264 CA VAL A 146 4.241 16.508 2.551 1.00 0.00 C ATOM 2265 C VAL A 146 4.029 17.384 3.778 1.00 0.00 C ATOM 2266 O VAL A 146 3.500 18.492 3.681 1.00 0.00 O ATOM 2267 CB VAL A 146 2.949 15.721 2.261 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.987 15.132 0.859 1.00 0.00 C ATOM 2269 CG2 VAL A 146 2.743 14.632 3.300 1.00 0.00 C ATOM 0 H VAL A 146 5.125 14.662 3.003 1.00 0.00 H new ATOM 0 HA VAL A 146 4.467 17.131 1.686 1.00 0.00 H new ATOM 0 HB VAL A 146 2.105 16.408 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 146 2.066 14.579 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.083 15.936 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 146 3.839 14.458 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 146 1.825 14.087 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.588 13.944 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 146 2.667 15.083 4.290 1.00 0.00 H new ATOM 2279 N ALA A 147 4.452 16.881 4.933 1.00 0.00 N ATOM 2280 CA ALA A 147 4.319 17.614 6.181 1.00 0.00 C ATOM 2281 C ALA A 147 5.383 18.698 6.288 1.00 0.00 C ATOM 2282 O ALA A 147 5.135 19.776 6.831 1.00 0.00 O ATOM 2283 CB ALA A 147 4.417 16.664 7.360 1.00 0.00 C ATOM 0 H ALA A 147 4.891 15.965 5.028 1.00 0.00 H new ATOM 0 HA ALA A 147 3.340 18.093 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.316 17.225 8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.621 15.922 7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.384 16.162 7.343 1.00 0.00 H new ATOM 2289 N GLN A 148 6.570 18.410 5.764 1.00 0.00 N ATOM 2290 CA GLN A 148 7.670 19.366 5.799 1.00 0.00 C ATOM 2291 C GLN A 148 7.505 20.435 4.721 1.00 0.00 C ATOM 2292 O GLN A 148 8.234 21.425 4.702 1.00 0.00 O ATOM 2293 CB GLN A 148 9.009 18.644 5.622 1.00 0.00 C ATOM 2294 CG GLN A 148 9.223 18.085 4.224 1.00 0.00 C ATOM 2295 CD GLN A 148 10.634 17.571 4.013 1.00 0.00 C ATOM 2296 OE1 GLN A 148 11.530 17.840 4.812 1.00 0.00 O ATOM 2297 NE2 GLN A 148 10.837 16.829 2.931 1.00 0.00 N ATOM 0 H GLN A 148 6.794 17.524 5.311 1.00 0.00 H new ATOM 0 HA GLN A 148 7.657 19.858 6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.818 19.336 5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.070 17.829 6.343 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.515 17.275 4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.009 18.861 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.064 16.631 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.766 16.457 2.735 1.00 0.00 H new ATOM 2306 N THR A 149 6.542 20.230 3.822 1.00 0.00 N ATOM 2307 CA THR A 149 6.291 21.183 2.745 1.00 0.00 C ATOM 2308 C THR A 149 4.928 21.852 2.908 1.00 0.00 C ATOM 2309 O THR A 149 4.737 22.998 2.504 1.00 0.00 O ATOM 2310 CB THR A 149 6.374 20.484 1.385 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.314 21.430 0.332 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.271 19.474 1.159 1.00 0.00 C ATOM 0 H THR A 149 5.927 19.416 3.819 1.00 0.00 H new ATOM 0 HA THR A 149 7.058 21.956 2.795 1.00 0.00 H new ATOM 0 HB THR A 149 7.328 19.957 1.390 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.370 20.965 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.391 19.017 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.322 18.702 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.304 19.974 1.211 1.00 0.00 H new ATOM 2320 N ALA A 150 3.985 21.129 3.503 1.00 0.00 N ATOM 2321 CA ALA A 150 2.641 21.657 3.717 1.00 0.00 C ATOM 2322 C ALA A 150 2.599 22.573 4.935 1.00 0.00 C ATOM 2323 O ALA A 150 3.590 22.591 5.696 1.00 0.00 O ATOM 2324 CB ALA A 150 1.646 20.517 3.879 1.00 0.00 C ATOM 2325 OXT ALA A 150 1.577 23.266 5.118 1.00 0.00 O ATOM 0 H ALA A 150 4.125 20.178 3.845 1.00 0.00 H new ATOM 0 HA ALA A 150 2.365 22.245 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 150 0.648 20.925 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 150 1.648 19.902 2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 150 1.929 19.906 4.736 1.00 0.00 H new