USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= -5.25 K(o=-6.2,f=-8.8!) USER MOD Set 1.2: A 115 THR OG1 : rot -82:sc= -0.982 USER MOD Set 2.1: A 69 SER OG : rot 131:sc= 0.00544 USER MOD Set 2.2: A 76 ASN : amide:sc= -1.94! K(o=-1.9!,f=-1.3) USER MOD Set 3.1: A 42 MET CE :methyl -150:sc= -0.905 (180deg=-1.39) USER MOD Set 3.2: A 56 ASN : amide:sc= -6.13! C(o=-7!,f=-4.9!) USER MOD Set 4.1: A 27 THR OG1 : rot -74:sc= 0.678 USER MOD Set 4.2: A 82 SER OG : rot 180:sc= 0.245 USER MOD Set 5.1: A 16 LYS NZ :NH3+ 162:sc= -0.0172 (180deg=-0.198) USER MOD Set 5.2: A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.164 K(o=0.16,f=-1.8) USER MOD Single : A 19 SER OG : rot 12:sc= 0.861 USER MOD Single : A 25 SER OG : rot 32:sc= 0.3 USER MOD Single : A 32 MET CE :methyl -176:sc= -2.13! (180deg=-2.23!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 15:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -6.35! C(o=-6.4!,f=-8.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.88) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 27:sc= 0.309 USER MOD Single : A 80 SER OG : rot -84:sc= -0.765 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.63) USER MOD Single : A 87 THR OG1 : rot 135:sc= -1.72! USER MOD Single : A 93 THR OG1 : rot -36:sc= 0.196! USER MOD Single : A 94 TYR OH : rot -46:sc= 0.866 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.559 USER MOD Single : A 98 LYS NZ :NH3+ -119:sc= 0.874 (180deg=-0.0966) USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= -0.02 (180deg=-0.222) USER MOD Single : A 103 SER OG : rot 180:sc= -0.642 USER MOD Single : A 110 LYS NZ :NH3+ -137:sc= 0.927 (180deg=0.00293) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -7.526 26.201 -5.434 1.00 0.00 N ATOM 67 CA GLU A 8 -6.908 26.044 -4.122 1.00 0.00 C ATOM 68 C GLU A 8 -6.327 24.643 -3.959 1.00 0.00 C ATOM 69 O GLU A 8 -6.340 23.840 -4.894 1.00 0.00 O ATOM 70 CB GLU A 8 -7.930 26.316 -3.016 1.00 0.00 C ATOM 71 CG GLU A 8 -8.988 25.233 -2.886 1.00 0.00 C ATOM 72 CD GLU A 8 -10.304 25.764 -2.352 1.00 0.00 C ATOM 73 OE1 GLU A 8 -10.377 26.055 -1.139 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.260 25.888 -3.145 1.00 0.00 O ATOM 0 HA GLU A 8 -6.096 26.767 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.406 26.417 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.420 27.270 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.154 24.774 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.621 24.449 -2.223 1.00 0.00 H new ATOM 81 N LEU A 9 -5.816 24.356 -2.767 1.00 0.00 N ATOM 82 CA LEU A 9 -5.229 23.051 -2.480 1.00 0.00 C ATOM 83 C LEU A 9 -6.132 21.926 -2.976 1.00 0.00 C ATOM 84 O LEU A 9 -7.347 22.093 -3.078 1.00 0.00 O ATOM 85 CB LEU A 9 -4.984 22.900 -0.978 1.00 0.00 C ATOM 86 CG LEU A 9 -4.690 21.482 -0.485 1.00 0.00 C ATOM 87 CD1 LEU A 9 -3.865 21.521 0.792 1.00 0.00 C ATOM 88 CD2 LEU A 9 -5.985 20.716 -0.263 1.00 0.00 C ATOM 0 H LEU A 9 -5.796 25.009 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.276 22.985 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.147 23.541 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.860 23.273 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.112 20.964 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.666 20.503 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.921 22.031 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.416 22.057 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.757 19.709 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.589 21.232 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.538 20.657 -1.200 1.00 0.00 H new ATOM 100 N GLN A 10 -5.530 20.781 -3.280 1.00 0.00 N ATOM 101 CA GLN A 10 -6.280 19.629 -3.763 1.00 0.00 C ATOM 102 C GLN A 10 -5.470 18.346 -3.605 1.00 0.00 C ATOM 103 O GLN A 10 -4.245 18.354 -3.726 1.00 0.00 O ATOM 104 CB GLN A 10 -6.667 19.824 -5.230 1.00 0.00 C ATOM 105 CG GLN A 10 -6.944 18.522 -5.965 1.00 0.00 C ATOM 106 CD GLN A 10 -8.189 17.820 -5.460 1.00 0.00 C ATOM 107 OE1 GLN A 10 -9.158 18.464 -5.056 1.00 0.00 O ATOM 108 NE2 GLN A 10 -8.170 16.492 -5.481 1.00 0.00 N ATOM 0 H GLN A 10 -4.525 20.627 -3.200 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.186 19.541 -3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.553 20.457 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.865 20.356 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.054 18.727 -7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.087 17.858 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.346 15.999 -5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.980 15.965 -5.154 1.00 0.00 H new ATOM 117 N VAL A 11 -6.163 17.244 -3.333 1.00 0.00 N ATOM 118 CA VAL A 11 -5.508 15.953 -3.158 1.00 0.00 C ATOM 119 C VAL A 11 -5.155 15.330 -4.504 1.00 0.00 C ATOM 120 O VAL A 11 -6.037 14.917 -5.258 1.00 0.00 O ATOM 121 CB VAL A 11 -6.398 14.975 -2.369 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.826 13.566 -2.429 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.549 15.437 -0.928 1.00 0.00 C ATOM 0 H VAL A 11 -7.177 17.220 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.593 16.135 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.387 14.960 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.468 12.888 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.774 13.238 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.825 13.561 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.181 14.734 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.568 15.482 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.007 16.426 -0.909 1.00 0.00 H new ATOM 133 N ILE A 12 -3.861 15.265 -4.799 1.00 0.00 N ATOM 134 CA ILE A 12 -3.392 14.690 -6.053 1.00 0.00 C ATOM 135 C ILE A 12 -2.979 13.234 -5.870 1.00 0.00 C ATOM 136 O ILE A 12 -1.905 12.945 -5.344 1.00 0.00 O ATOM 137 CB ILE A 12 -2.200 15.482 -6.624 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.647 16.881 -7.052 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.582 14.736 -7.797 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.882 16.881 -7.925 1.00 0.00 C ATOM 0 H ILE A 12 -3.119 15.604 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.224 14.743 -6.755 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.445 15.585 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.841 17.479 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.832 17.365 -7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.741 15.308 -8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.232 13.759 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.329 14.606 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.140 17.906 -8.190 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.686 16.310 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.711 16.426 -7.383 1.00 0.00 H new ATOM 152 N GLN A 13 -3.840 12.321 -6.310 1.00 0.00 N ATOM 153 CA GLN A 13 -3.564 10.894 -6.196 1.00 0.00 C ATOM 154 C GLN A 13 -3.365 10.266 -7.571 1.00 0.00 C ATOM 155 O GLN A 13 -4.319 9.892 -8.254 1.00 0.00 O ATOM 156 CB GLN A 13 -4.706 10.190 -5.461 1.00 0.00 C ATOM 157 CG GLN A 13 -4.774 10.525 -3.980 1.00 0.00 C ATOM 158 CD GLN A 13 -4.011 9.535 -3.122 1.00 0.00 C ATOM 159 OE1 GLN A 13 -2.927 9.837 -2.621 1.00 0.00 O ATOM 160 NE2 GLN A 13 -4.573 8.345 -2.946 1.00 0.00 N ATOM 0 H GLN A 13 -4.734 12.544 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.644 10.772 -5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.651 10.462 -5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.591 9.112 -5.576 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.372 11.525 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.817 10.546 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.472 8.137 -3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.105 7.639 -2.377 1.00 0.00 H new ATOM 169 N PRO A 14 -2.096 10.146 -7.990 1.00 0.00 N ATOM 170 CA PRO A 14 -1.742 9.564 -9.287 1.00 0.00 C ATOM 171 C PRO A 14 -2.004 8.062 -9.339 1.00 0.00 C ATOM 172 O PRO A 14 -2.509 7.546 -10.335 1.00 0.00 O ATOM 173 CB PRO A 14 -0.243 9.849 -9.407 1.00 0.00 C ATOM 174 CG PRO A 14 0.233 9.972 -8.001 1.00 0.00 C ATOM 175 CD PRO A 14 -0.909 10.570 -7.228 1.00 0.00 C ATOM 0 HA PRO A 14 -2.336 9.985 -10.098 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.272 9.044 -9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.058 10.764 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.511 8.999 -7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.118 10.606 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.937 10.201 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.833 11.656 -7.174 1.00 0.00 H new ATOM 183 N GLU A 15 -1.656 7.368 -8.260 1.00 0.00 N ATOM 184 CA GLU A 15 -1.854 5.925 -8.185 1.00 0.00 C ATOM 185 C GLU A 15 -3.315 5.590 -7.899 1.00 0.00 C ATOM 186 O GLU A 15 -3.745 5.568 -6.746 1.00 0.00 O ATOM 187 CB GLU A 15 -0.960 5.321 -7.100 1.00 0.00 C ATOM 188 CG GLU A 15 0.524 5.406 -7.417 1.00 0.00 C ATOM 189 CD GLU A 15 0.890 4.671 -8.692 1.00 0.00 C ATOM 190 OE1 GLU A 15 0.313 3.593 -8.943 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.755 5.175 -9.439 1.00 0.00 O ATOM 0 H GLU A 15 -1.236 7.781 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.583 5.497 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.151 5.833 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.233 4.276 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.813 6.453 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.094 4.991 -6.586 1.00 0.00 H new ATOM 198 N LYS A 16 -4.075 5.332 -8.958 1.00 0.00 N ATOM 199 CA LYS A 16 -5.488 4.998 -8.824 1.00 0.00 C ATOM 200 C LYS A 16 -5.666 3.668 -8.098 1.00 0.00 C ATOM 201 O LYS A 16 -6.760 3.344 -7.636 1.00 0.00 O ATOM 202 CB LYS A 16 -6.150 4.931 -10.202 1.00 0.00 C ATOM 203 CG LYS A 16 -5.613 3.816 -11.082 1.00 0.00 C ATOM 204 CD LYS A 16 -6.554 3.514 -12.237 1.00 0.00 C ATOM 205 CE LYS A 16 -6.426 2.070 -12.697 1.00 0.00 C ATOM 206 NZ LYS A 16 -7.001 1.119 -11.705 1.00 0.00 N ATOM 0 H LYS A 16 -3.735 5.348 -9.920 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.967 5.781 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.224 4.796 -10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.008 5.884 -10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.635 4.098 -11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.470 2.916 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.582 3.710 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.336 4.183 -13.070 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.933 1.947 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.375 1.833 -12.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.176 0.202 -12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.332 0.991 -10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.897 1.499 -11.339 1.00 0.00 H new ATOM 220 N SER A 17 -4.583 2.903 -7.999 1.00 0.00 N ATOM 221 CA SER A 17 -4.621 1.608 -7.331 1.00 0.00 C ATOM 222 C SER A 17 -3.219 1.020 -7.206 1.00 0.00 C ATOM 223 O SER A 17 -2.426 1.069 -8.147 1.00 0.00 O ATOM 224 CB SER A 17 -5.525 0.641 -8.097 1.00 0.00 C ATOM 225 OG SER A 17 -4.857 0.102 -9.224 1.00 0.00 O ATOM 0 H SER A 17 -3.669 3.158 -8.373 1.00 0.00 H new ATOM 0 HA SER A 17 -5.025 1.756 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.841 -0.167 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.428 1.160 -8.419 1.00 0.00 H new ATOM 0 HG SER A 17 -5.456 -0.514 -9.695 1.00 0.00 H new ATOM 231 N VAL A 18 -2.919 0.463 -6.037 1.00 0.00 N ATOM 232 CA VAL A 18 -1.613 -0.136 -5.788 1.00 0.00 C ATOM 233 C VAL A 18 -1.652 -1.645 -5.999 1.00 0.00 C ATOM 234 O VAL A 18 -2.680 -2.287 -5.781 1.00 0.00 O ATOM 235 CB VAL A 18 -1.124 0.159 -4.357 1.00 0.00 C ATOM 236 CG1 VAL A 18 0.245 -0.460 -4.123 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.091 1.659 -4.105 1.00 0.00 C ATOM 0 H VAL A 18 -3.563 0.414 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.919 0.310 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.824 -0.289 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.574 -0.241 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.184 -1.540 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.959 -0.043 -4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.743 1.850 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.413 2.132 -4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.093 2.071 -4.229 1.00 0.00 H new ATOM 247 N SER A 19 -0.525 -2.207 -6.424 1.00 0.00 N ATOM 248 CA SER A 19 -0.430 -3.641 -6.668 1.00 0.00 C ATOM 249 C SER A 19 0.748 -4.245 -5.909 1.00 0.00 C ATOM 250 O SER A 19 1.904 -3.909 -6.164 1.00 0.00 O ATOM 251 CB SER A 19 -0.281 -3.917 -8.165 1.00 0.00 C ATOM 252 OG SER A 19 1.025 -3.599 -8.615 1.00 0.00 O ATOM 0 H SER A 19 0.335 -1.691 -6.607 1.00 0.00 H new ATOM 0 HA SER A 19 -1.348 -4.106 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.493 -4.967 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.013 -3.331 -8.721 1.00 0.00 H new ATOM 0 HG SER A 19 1.612 -3.458 -7.843 1.00 0.00 H new ATOM 258 N VAL A 20 0.445 -5.139 -4.973 1.00 0.00 N ATOM 259 CA VAL A 20 1.477 -5.791 -4.176 1.00 0.00 C ATOM 260 C VAL A 20 1.133 -7.255 -3.923 1.00 0.00 C ATOM 261 O VAL A 20 0.140 -7.768 -4.439 1.00 0.00 O ATOM 262 CB VAL A 20 1.675 -5.081 -2.824 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.709 -3.972 -2.949 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.352 -4.531 -2.312 1.00 0.00 C ATOM 0 H VAL A 20 -0.507 -5.428 -4.748 1.00 0.00 H new ATOM 0 HA VAL A 20 2.403 -5.732 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 20 2.044 -5.810 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.835 -3.482 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.661 -4.396 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.372 -3.242 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.511 -4.033 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.048 -3.817 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.356 -5.349 -2.181 1.00 0.00 H new ATOM 274 N ALA A 21 1.960 -7.922 -3.125 1.00 0.00 N ATOM 275 CA ALA A 21 1.742 -9.326 -2.801 1.00 0.00 C ATOM 276 C ALA A 21 1.731 -9.546 -1.292 1.00 0.00 C ATOM 277 O ALA A 21 2.501 -8.927 -0.559 1.00 0.00 O ATOM 278 CB ALA A 21 2.811 -10.190 -3.454 1.00 0.00 C ATOM 0 H ALA A 21 2.787 -7.512 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 21 0.767 -9.616 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.636 -11.236 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.770 -10.064 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.794 -9.889 -3.091 1.00 0.00 H new ATOM 284 N ALA A 22 0.851 -10.432 -0.835 1.00 0.00 N ATOM 285 CA ALA A 22 0.741 -10.734 0.587 1.00 0.00 C ATOM 286 C ALA A 22 2.118 -10.865 1.229 1.00 0.00 C ATOM 287 O ALA A 22 2.798 -11.876 1.060 1.00 0.00 O ATOM 288 CB ALA A 22 -0.064 -12.009 0.794 1.00 0.00 C ATOM 0 H ALA A 22 0.205 -10.952 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 22 0.222 -9.906 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.139 -12.223 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.064 -11.880 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.433 -12.839 0.291 1.00 0.00 H new ATOM 294 N GLY A 23 2.522 -9.835 1.966 1.00 0.00 N ATOM 295 CA GLY A 23 3.817 -9.856 2.622 1.00 0.00 C ATOM 296 C GLY A 23 4.777 -8.836 2.041 1.00 0.00 C ATOM 297 O GLY A 23 5.940 -8.774 2.438 1.00 0.00 O ATOM 0 H GLY A 23 1.977 -8.987 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.685 -9.661 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.251 -10.852 2.531 1.00 0.00 H new ATOM 301 N GLU A 24 4.289 -8.036 1.098 1.00 0.00 N ATOM 302 CA GLU A 24 5.114 -7.017 0.460 1.00 0.00 C ATOM 303 C GLU A 24 4.809 -5.635 1.031 1.00 0.00 C ATOM 304 O GLU A 24 3.965 -5.489 1.915 1.00 0.00 O ATOM 305 CB GLU A 24 4.886 -7.017 -1.053 1.00 0.00 C ATOM 306 CG GLU A 24 5.392 -8.272 -1.744 1.00 0.00 C ATOM 307 CD GLU A 24 5.756 -8.032 -3.196 1.00 0.00 C ATOM 308 OE1 GLU A 24 5.008 -7.307 -3.884 1.00 0.00 O ATOM 309 OE2 GLU A 24 6.791 -8.569 -3.645 1.00 0.00 O ATOM 0 H GLU A 24 3.328 -8.074 0.759 1.00 0.00 H new ATOM 0 HA GLU A 24 6.159 -7.253 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.820 -6.908 -1.251 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.382 -6.148 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.266 -8.648 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.627 -9.046 -1.688 1.00 0.00 H new ATOM 316 N SER A 25 5.503 -4.623 0.519 1.00 0.00 N ATOM 317 CA SER A 25 5.310 -3.253 0.980 1.00 0.00 C ATOM 318 C SER A 25 4.533 -2.438 -0.049 1.00 0.00 C ATOM 319 O SER A 25 4.977 -2.265 -1.183 1.00 0.00 O ATOM 320 CB SER A 25 6.661 -2.591 1.258 1.00 0.00 C ATOM 321 OG SER A 25 7.496 -2.637 0.114 1.00 0.00 O ATOM 0 H SER A 25 6.204 -4.726 -0.215 1.00 0.00 H new ATOM 0 HA SER A 25 4.732 -3.284 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.507 -1.555 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.152 -3.094 2.091 1.00 0.00 H new ATOM 0 HG SER A 25 6.945 -2.597 -0.695 1.00 0.00 H new ATOM 327 N ALA A 26 3.370 -1.939 0.357 1.00 0.00 N ATOM 328 CA ALA A 26 2.531 -1.140 -0.528 1.00 0.00 C ATOM 329 C ALA A 26 2.794 0.350 -0.336 1.00 0.00 C ATOM 330 O ALA A 26 2.722 0.865 0.780 1.00 0.00 O ATOM 331 CB ALA A 26 1.062 -1.454 -0.289 1.00 0.00 C ATOM 0 H ALA A 26 2.987 -2.074 1.293 1.00 0.00 H new ATOM 0 HA ALA A 26 2.783 -1.397 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.448 -0.850 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.879 -2.511 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.805 -1.227 0.746 1.00 0.00 H new ATOM 337 N THR A 27 3.099 1.038 -1.432 1.00 0.00 N ATOM 338 CA THR A 27 3.374 2.469 -1.383 1.00 0.00 C ATOM 339 C THR A 27 2.183 3.275 -1.889 1.00 0.00 C ATOM 340 O THR A 27 1.964 3.388 -3.096 1.00 0.00 O ATOM 341 CB THR A 27 4.617 2.831 -2.219 1.00 0.00 C ATOM 342 OG1 THR A 27 5.690 1.932 -1.916 1.00 0.00 O ATOM 343 CG2 THR A 27 5.054 4.262 -1.947 1.00 0.00 C ATOM 0 H THR A 27 3.162 0.628 -2.364 1.00 0.00 H new ATOM 0 HA THR A 27 3.562 2.720 -0.339 1.00 0.00 H new ATOM 0 HB THR A 27 4.357 2.742 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.065 2.155 -1.039 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.933 4.495 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.245 4.945 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.297 4.373 -0.890 1.00 0.00 H new ATOM 351 N LEU A 28 1.417 3.835 -0.959 1.00 0.00 N ATOM 352 CA LEU A 28 0.247 4.633 -1.311 1.00 0.00 C ATOM 353 C LEU A 28 0.647 6.065 -1.652 1.00 0.00 C ATOM 354 O LEU A 28 0.779 6.910 -0.767 1.00 0.00 O ATOM 355 CB LEU A 28 -0.759 4.633 -0.159 1.00 0.00 C ATOM 356 CG LEU A 28 -1.297 3.265 0.263 1.00 0.00 C ATOM 357 CD1 LEU A 28 -2.081 3.377 1.561 1.00 0.00 C ATOM 358 CD2 LEU A 28 -2.165 2.671 -0.837 1.00 0.00 C ATOM 0 H LEU A 28 1.585 3.751 0.044 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.216 4.186 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.289 5.099 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.603 5.262 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.451 2.599 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.456 2.394 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.430 3.759 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.920 4.059 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.539 1.698 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.006 3.336 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.573 2.554 -1.744 1.00 0.00 H new ATOM 370 N ARG A 29 0.836 6.330 -2.941 1.00 0.00 N ATOM 371 CA ARG A 29 1.220 7.659 -3.399 1.00 0.00 C ATOM 372 C ARG A 29 0.176 8.696 -2.994 1.00 0.00 C ATOM 373 O ARG A 29 -1.023 8.415 -2.984 1.00 0.00 O ATOM 374 CB ARG A 29 1.398 7.667 -4.918 1.00 0.00 C ATOM 375 CG ARG A 29 2.812 7.336 -5.367 1.00 0.00 C ATOM 376 CD ARG A 29 3.155 8.024 -6.679 1.00 0.00 C ATOM 377 NE ARG A 29 3.749 9.341 -6.467 1.00 0.00 N ATOM 378 CZ ARG A 29 3.998 10.202 -7.447 1.00 0.00 C ATOM 379 NH1 ARG A 29 3.705 9.886 -8.701 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.539 11.382 -7.174 1.00 0.00 N ATOM 0 H ARG A 29 0.729 5.642 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 29 2.168 7.918 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.708 6.948 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.124 8.650 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.521 7.643 -4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.915 6.257 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.847 7.401 -7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.253 8.126 -7.282 1.00 0.00 H new ATOM 0 HE ARG A 29 3.986 9.615 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.288 8.980 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.897 10.549 -9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.764 11.629 -6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.730 12.042 -7.928 1.00 0.00 H new ATOM 394 N CYS A 30 0.641 9.895 -2.658 1.00 0.00 N ATOM 395 CA CYS A 30 -0.251 10.974 -2.251 1.00 0.00 C ATOM 396 C CYS A 30 0.505 12.296 -2.153 1.00 0.00 C ATOM 397 O CYS A 30 1.668 12.330 -1.752 1.00 0.00 O ATOM 398 CB CYS A 30 -0.902 10.646 -0.906 1.00 0.00 C ATOM 399 SG CYS A 30 -2.060 11.919 -0.309 1.00 0.00 S ATOM 0 H CYS A 30 1.630 10.144 -2.660 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.028 11.075 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.434 9.699 -0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.119 10.504 -0.161 1.00 0.00 H new ATOM 404 N ALA A 31 -0.165 13.383 -2.521 1.00 0.00 N ATOM 405 CA ALA A 31 0.441 14.708 -2.473 1.00 0.00 C ATOM 406 C ALA A 31 -0.602 15.798 -2.694 1.00 0.00 C ATOM 407 O ALA A 31 -1.587 15.593 -3.403 1.00 0.00 O ATOM 408 CB ALA A 31 1.550 14.819 -3.509 1.00 0.00 C ATOM 0 H ALA A 31 -1.128 13.372 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 31 0.870 14.848 -1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.994 15.814 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.315 14.070 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.137 14.653 -4.504 1.00 0.00 H new ATOM 414 N MET A 32 -0.380 16.956 -2.081 1.00 0.00 N ATOM 415 CA MET A 32 -1.302 18.079 -2.212 1.00 0.00 C ATOM 416 C MET A 32 -0.692 19.186 -3.065 1.00 0.00 C ATOM 417 O MET A 32 0.520 19.404 -3.045 1.00 0.00 O ATOM 418 CB MET A 32 -1.671 18.626 -0.832 1.00 0.00 C ATOM 419 CG MET A 32 -2.681 17.769 -0.088 1.00 0.00 C ATOM 420 SD MET A 32 -1.907 16.431 0.841 1.00 0.00 S ATOM 421 CE MET A 32 -3.125 15.132 0.643 1.00 0.00 C ATOM 0 H MET A 32 0.430 17.142 -1.489 1.00 0.00 H new ATOM 0 HA MET A 32 -2.205 17.721 -2.706 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.766 18.711 -0.230 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.074 19.632 -0.945 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.252 18.398 0.595 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.390 17.348 -0.801 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.823 14.259 1.222 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.094 15.485 0.996 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.200 14.861 -0.410 1.00 0.00 H new ATOM 431 N THR A 33 -1.539 19.883 -3.816 1.00 0.00 N ATOM 432 CA THR A 33 -1.083 20.967 -4.677 1.00 0.00 C ATOM 433 C THR A 33 -0.616 22.163 -3.855 1.00 0.00 C ATOM 434 O THR A 33 -0.130 23.153 -4.403 1.00 0.00 O ATOM 435 CB THR A 33 -2.195 21.424 -5.641 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.057 22.360 -4.986 1.00 0.00 O ATOM 437 CG2 THR A 33 -3.007 20.235 -6.132 1.00 0.00 C ATOM 0 H THR A 33 -2.545 19.716 -3.845 1.00 0.00 H new ATOM 0 HA THR A 33 -0.246 20.579 -5.257 1.00 0.00 H new ATOM 0 HB THR A 33 -1.727 21.903 -6.501 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.760 22.647 -5.606 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.786 20.582 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.352 19.539 -6.656 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.465 19.731 -5.281 1.00 0.00 H new ATOM 445 N SER A 34 -0.766 22.065 -2.538 1.00 0.00 N ATOM 446 CA SER A 34 -0.362 23.141 -1.641 1.00 0.00 C ATOM 447 C SER A 34 -0.478 22.706 -0.183 1.00 0.00 C ATOM 448 O SER A 34 -1.028 21.645 0.118 1.00 0.00 O ATOM 449 CB SER A 34 -1.220 24.385 -1.883 1.00 0.00 C ATOM 450 OG SER A 34 -0.541 25.560 -1.474 1.00 0.00 O ATOM 0 H SER A 34 -1.164 21.252 -2.069 1.00 0.00 H new ATOM 0 HA SER A 34 0.681 23.381 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.472 24.457 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.159 24.295 -1.337 1.00 0.00 H new ATOM 0 HG SER A 34 -1.109 26.341 -1.640 1.00 0.00 H new ATOM 456 N LEU A 35 0.043 23.531 0.717 1.00 0.00 N ATOM 457 CA LEU A 35 -0.002 23.233 2.145 1.00 0.00 C ATOM 458 C LEU A 35 -1.096 24.040 2.836 1.00 0.00 C ATOM 459 O LEU A 35 -1.339 23.878 4.032 1.00 0.00 O ATOM 460 CB LEU A 35 1.353 23.531 2.790 1.00 0.00 C ATOM 461 CG LEU A 35 2.529 22.683 2.305 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.848 23.373 2.615 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.486 21.300 2.939 1.00 0.00 C ATOM 0 H LEU A 35 0.502 24.412 0.484 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.229 22.174 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.592 24.580 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.256 23.400 3.868 1.00 0.00 H new ATOM 0 HG LEU A 35 2.448 22.568 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.674 22.755 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.879 24.340 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.938 23.519 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.330 20.710 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.542 21.395 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.555 20.803 2.666 1.00 0.00 H new ATOM 475 N ILE A 36 -1.754 24.908 2.075 1.00 0.00 N ATOM 476 CA ILE A 36 -2.825 25.738 2.614 1.00 0.00 C ATOM 477 C ILE A 36 -4.189 25.256 2.132 1.00 0.00 C ATOM 478 O ILE A 36 -4.380 24.924 0.962 1.00 0.00 O ATOM 479 CB ILE A 36 -2.645 27.215 2.218 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.304 27.744 2.730 1.00 0.00 C ATOM 481 CG2 ILE A 36 -3.793 28.052 2.763 1.00 0.00 C ATOM 482 CD1 ILE A 36 -1.004 27.349 4.159 1.00 0.00 C ATOM 0 H ILE A 36 -1.565 25.055 1.084 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.775 25.653 3.700 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.651 27.288 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.507 27.375 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.298 28.831 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.652 29.094 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.735 27.687 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.815 27.976 3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.038 27.759 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.781 27.741 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.977 26.262 4.238 1.00 0.00 H new ATOM 494 N PRO A 37 -5.163 25.218 3.054 1.00 0.00 N ATOM 495 CA PRO A 37 -4.947 25.610 4.450 1.00 0.00 C ATOM 496 C PRO A 37 -4.063 24.619 5.200 1.00 0.00 C ATOM 497 O PRO A 37 -4.119 23.414 4.957 1.00 0.00 O ATOM 498 CB PRO A 37 -6.360 25.618 5.038 1.00 0.00 C ATOM 499 CG PRO A 37 -7.131 24.670 4.186 1.00 0.00 C ATOM 500 CD PRO A 37 -6.549 24.788 2.804 1.00 0.00 C ATOM 0 HA PRO A 37 -4.432 26.567 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.357 25.300 6.081 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.794 26.617 5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.044 23.650 4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.192 24.920 4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.585 23.838 2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.092 25.514 2.200 1.00 0.00 H new ATOM 508 N VAL A 38 -3.247 25.135 6.114 1.00 0.00 N ATOM 509 CA VAL A 38 -2.352 24.296 6.901 1.00 0.00 C ATOM 510 C VAL A 38 -3.113 23.154 7.566 1.00 0.00 C ATOM 511 O VAL A 38 -4.267 23.311 7.962 1.00 0.00 O ATOM 512 CB VAL A 38 -1.624 25.113 7.985 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.594 25.535 9.077 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.467 24.315 8.566 1.00 0.00 C ATOM 0 H VAL A 38 -3.188 26.131 6.327 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.615 23.885 6.211 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.218 26.014 7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.062 26.111 9.834 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.385 26.148 8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.032 24.649 9.537 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.036 24.907 9.330 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.847 23.395 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.240 24.070 7.773 1.00 0.00 H new ATOM 524 N GLY A 39 -2.457 22.004 7.687 1.00 0.00 N ATOM 525 CA GLY A 39 -3.087 20.852 8.305 1.00 0.00 C ATOM 526 C GLY A 39 -2.290 19.578 8.105 1.00 0.00 C ATOM 527 O GLY A 39 -1.615 19.396 7.091 1.00 0.00 O ATOM 0 H GLY A 39 -1.501 21.850 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.208 21.037 9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.086 20.721 7.889 1.00 0.00 H new ATOM 531 N PRO A 40 -2.362 18.670 9.089 1.00 0.00 N ATOM 532 CA PRO A 40 -1.647 17.391 9.040 1.00 0.00 C ATOM 533 C PRO A 40 -2.222 16.445 7.992 1.00 0.00 C ATOM 534 O PRO A 40 -3.031 16.848 7.156 1.00 0.00 O ATOM 535 CB PRO A 40 -1.847 16.818 10.445 1.00 0.00 C ATOM 536 CG PRO A 40 -3.106 17.447 10.934 1.00 0.00 C ATOM 537 CD PRO A 40 -3.147 18.821 10.326 1.00 0.00 C ATOM 0 HA PRO A 40 -0.601 17.520 8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.930 15.731 10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.006 17.059 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.976 16.862 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.117 17.502 12.023 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.169 19.138 10.117 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.711 19.567 10.990 1.00 0.00 H new ATOM 545 N ILE A 41 -1.801 15.186 8.043 1.00 0.00 N ATOM 546 CA ILE A 41 -2.276 14.183 7.099 1.00 0.00 C ATOM 547 C ILE A 41 -2.754 12.929 7.823 1.00 0.00 C ATOM 548 O ILE A 41 -2.141 12.491 8.796 1.00 0.00 O ATOM 549 CB ILE A 41 -1.179 13.794 6.090 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.750 15.014 5.274 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.671 12.683 5.174 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.884 15.659 4.509 1.00 0.00 C ATOM 0 H ILE A 41 -1.132 14.836 8.729 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.112 14.629 6.560 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.313 13.427 6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.309 15.752 5.944 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.028 14.716 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.885 12.419 4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.931 11.808 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.550 13.024 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.506 16.517 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.311 14.936 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.653 15.989 5.208 1.00 0.00 H new ATOM 564 N MET A 42 -3.850 12.354 7.339 1.00 0.00 N ATOM 565 CA MET A 42 -4.409 11.148 7.939 1.00 0.00 C ATOM 566 C MET A 42 -5.034 10.251 6.876 1.00 0.00 C ATOM 567 O MET A 42 -5.920 10.677 6.134 1.00 0.00 O ATOM 568 CB MET A 42 -5.455 11.514 8.994 1.00 0.00 C ATOM 569 CG MET A 42 -4.859 12.113 10.258 1.00 0.00 C ATOM 570 SD MET A 42 -6.105 12.463 11.514 1.00 0.00 S ATOM 571 CE MET A 42 -5.663 14.137 11.972 1.00 0.00 C ATOM 0 H MET A 42 -4.369 12.704 6.533 1.00 0.00 H new ATOM 0 HA MET A 42 -3.597 10.601 8.418 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.161 12.224 8.563 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.022 10.621 9.257 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.119 11.425 10.667 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.333 13.034 10.006 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.927 14.310 13.015 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.590 14.279 11.841 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.203 14.842 11.339 1.00 0.00 H new ATOM 581 N TRP A 43 -4.568 9.010 6.806 1.00 0.00 N ATOM 582 CA TRP A 43 -5.083 8.053 5.832 1.00 0.00 C ATOM 583 C TRP A 43 -6.268 7.282 6.401 1.00 0.00 C ATOM 584 O TRP A 43 -6.380 7.102 7.614 1.00 0.00 O ATOM 585 CB TRP A 43 -3.980 7.081 5.410 1.00 0.00 C ATOM 586 CG TRP A 43 -3.015 7.668 4.425 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.913 8.424 4.708 1.00 0.00 C ATOM 588 CD2 TRP A 43 -3.067 7.549 2.999 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.277 8.782 3.544 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.965 8.257 2.482 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.937 6.912 2.110 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.713 8.345 1.115 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.685 7.001 0.754 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.580 7.712 0.267 1.00 0.00 C ATOM 0 H TRP A 43 -3.834 8.642 7.412 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.422 8.608 4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.433 6.758 6.295 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.436 6.192 4.975 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.589 8.700 5.701 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.430 9.347 3.481 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.790 6.360 2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.863 8.894 0.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.351 6.514 0.057 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.410 7.761 -0.798 1.00 0.00 H new ATOM 605 N PHE A 44 -7.151 6.827 5.518 1.00 0.00 N ATOM 606 CA PHE A 44 -8.329 6.074 5.933 1.00 0.00 C ATOM 607 C PHE A 44 -8.773 5.111 4.836 1.00 0.00 C ATOM 608 O PHE A 44 -8.972 5.509 3.689 1.00 0.00 O ATOM 609 CB PHE A 44 -9.472 7.029 6.284 1.00 0.00 C ATOM 610 CG PHE A 44 -9.139 7.980 7.397 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.402 9.127 7.149 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.564 7.729 8.692 1.00 0.00 C ATOM 613 CE1 PHE A 44 -8.093 10.003 8.172 1.00 0.00 C ATOM 614 CE2 PHE A 44 -9.259 8.602 9.719 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.523 9.741 9.458 1.00 0.00 C ATOM 0 H PHE A 44 -7.073 6.967 4.511 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.066 5.493 6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.742 7.601 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.349 6.446 6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.065 9.339 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.141 6.840 8.901 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.516 10.892 7.966 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.596 8.394 10.724 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.284 10.426 10.258 1.00 0.00 H new ATOM 625 N ARG A 45 -8.927 3.842 5.199 1.00 0.00 N ATOM 626 CA ARG A 45 -9.346 2.821 4.246 1.00 0.00 C ATOM 627 C ARG A 45 -10.791 2.399 4.501 1.00 0.00 C ATOM 628 O ARG A 45 -11.105 1.819 5.539 1.00 0.00 O ATOM 629 CB ARG A 45 -8.425 1.602 4.334 1.00 0.00 C ATOM 630 CG ARG A 45 -8.698 0.554 3.267 1.00 0.00 C ATOM 631 CD ARG A 45 -8.036 -0.772 3.607 1.00 0.00 C ATOM 632 NE ARG A 45 -8.090 -1.060 5.037 1.00 0.00 N ATOM 633 CZ ARG A 45 -9.135 -1.622 5.635 1.00 0.00 C ATOM 634 NH1 ARG A 45 -10.207 -1.954 4.928 1.00 0.00 N ATOM 635 NH2 ARG A 45 -9.110 -1.853 6.941 1.00 0.00 N ATOM 0 H ARG A 45 -8.768 3.496 6.145 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.281 3.246 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.390 1.933 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.535 1.144 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.773 0.409 3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.331 0.909 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.528 -1.574 3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.996 -0.752 3.280 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.281 -0.816 5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.230 -1.778 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.008 -2.385 5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.287 -1.599 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.913 -2.285 7.398 1.00 0.00 H new ATOM 649 N GLY A 46 -11.666 2.697 3.545 1.00 0.00 N ATOM 650 CA GLY A 46 -13.066 2.343 3.685 1.00 0.00 C ATOM 651 C GLY A 46 -13.950 3.553 3.914 1.00 0.00 C ATOM 652 O GLY A 46 -14.775 3.563 4.827 1.00 0.00 O ATOM 0 H GLY A 46 -11.430 3.177 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.397 1.820 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.181 1.650 4.519 1.00 0.00 H new ATOM 656 N ALA A 47 -13.777 4.577 3.085 1.00 0.00 N ATOM 657 CA ALA A 47 -14.565 5.797 3.201 1.00 0.00 C ATOM 658 C ALA A 47 -16.058 5.485 3.230 1.00 0.00 C ATOM 659 O ALA A 47 -16.521 4.556 2.569 1.00 0.00 O ATOM 660 CB ALA A 47 -14.244 6.745 2.055 1.00 0.00 C ATOM 0 H ALA A 47 -13.097 4.585 2.325 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.303 6.281 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.840 7.652 2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.185 7.002 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.476 6.261 1.106 1.00 0.00 H new ATOM 690 N ARG A 51 -14.659 3.802 7.363 1.00 0.00 N ATOM 691 CA ARG A 51 -13.229 3.827 7.079 1.00 0.00 C ATOM 692 C ARG A 51 -12.421 3.479 8.326 1.00 0.00 C ATOM 693 O ARG A 51 -12.876 3.689 9.450 1.00 0.00 O ATOM 694 CB ARG A 51 -12.816 5.204 6.557 1.00 0.00 C ATOM 695 CG ARG A 51 -12.882 6.299 7.610 1.00 0.00 C ATOM 696 CD ARG A 51 -14.145 7.134 7.466 1.00 0.00 C ATOM 697 NE ARG A 51 -14.031 8.117 6.392 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.833 9.170 6.271 1.00 0.00 C ATOM 699 NH1 ARG A 51 -15.801 9.375 7.153 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.666 10.020 5.265 1.00 0.00 N ATOM 0 HA ARG A 51 -13.022 3.079 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.799 5.146 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.462 5.475 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.851 5.852 8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.007 6.943 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.993 6.478 7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.350 7.646 8.406 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.296 7.988 5.697 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.932 8.724 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.415 10.184 7.058 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.922 9.865 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.282 10.828 5.172 1.00 0.00 H new ATOM 714 N GLU A 52 -11.221 2.947 8.117 1.00 0.00 N ATOM 715 CA GLU A 52 -10.351 2.569 9.225 1.00 0.00 C ATOM 716 C GLU A 52 -8.999 3.268 9.117 1.00 0.00 C ATOM 717 O GLU A 52 -8.133 2.854 8.345 1.00 0.00 O ATOM 718 CB GLU A 52 -10.153 1.052 9.253 1.00 0.00 C ATOM 719 CG GLU A 52 -9.232 0.579 10.365 1.00 0.00 C ATOM 720 CD GLU A 52 -8.651 -0.796 10.096 1.00 0.00 C ATOM 721 OE1 GLU A 52 -7.805 -0.913 9.185 1.00 0.00 O ATOM 722 OE2 GLU A 52 -9.042 -1.753 10.796 1.00 0.00 O ATOM 0 H GLU A 52 -10.829 2.768 7.192 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.830 2.882 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.124 0.569 9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.747 0.729 8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.419 1.295 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.784 0.559 11.305 1.00 0.00 H new ATOM 729 N LEU A 53 -8.825 4.330 9.896 1.00 0.00 N ATOM 730 CA LEU A 53 -7.578 5.088 9.889 1.00 0.00 C ATOM 731 C LEU A 53 -6.389 4.178 9.596 1.00 0.00 C ATOM 732 O LEU A 53 -6.246 3.115 10.200 1.00 0.00 O ATOM 733 CB LEU A 53 -7.378 5.791 11.232 1.00 0.00 C ATOM 734 CG LEU A 53 -6.407 6.972 11.233 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.671 7.879 12.425 1.00 0.00 C ATOM 736 CD2 LEU A 53 -4.968 6.479 11.245 1.00 0.00 C ATOM 0 H LEU A 53 -9.531 4.686 10.540 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.642 5.837 9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.348 6.144 11.583 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.025 5.056 11.955 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.565 7.548 10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.970 8.714 12.409 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.691 8.260 12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.541 7.314 13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.291 7.333 11.246 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.796 5.879 12.139 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.784 5.871 10.359 1.00 0.00 H new ATOM 748 N ILE A 54 -5.539 4.604 8.668 1.00 0.00 N ATOM 749 CA ILE A 54 -4.361 3.829 8.299 1.00 0.00 C ATOM 750 C ILE A 54 -3.083 4.510 8.777 1.00 0.00 C ATOM 751 O ILE A 54 -2.133 3.847 9.193 1.00 0.00 O ATOM 752 CB ILE A 54 -4.279 3.622 6.775 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.481 2.813 6.283 1.00 0.00 C ATOM 754 CG2 ILE A 54 -2.978 2.926 6.404 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.646 1.485 6.990 1.00 0.00 C ATOM 0 H ILE A 54 -5.644 5.481 8.158 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.457 2.858 8.785 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.298 4.598 6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.387 3.403 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.376 2.635 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.935 2.787 5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.134 3.537 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.931 1.955 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.517 0.966 6.591 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.756 0.876 6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.783 1.656 8.058 1.00 0.00 H new ATOM 767 N TYR A 55 -3.068 5.837 8.717 1.00 0.00 N ATOM 768 CA TYR A 55 -1.907 6.608 9.143 1.00 0.00 C ATOM 769 C TYR A 55 -2.329 7.959 9.713 1.00 0.00 C ATOM 770 O TYR A 55 -3.315 8.549 9.274 1.00 0.00 O ATOM 771 CB TYR A 55 -0.947 6.815 7.970 1.00 0.00 C ATOM 772 CG TYR A 55 0.317 7.556 8.345 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.409 6.882 8.877 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.418 8.931 8.169 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.565 7.555 9.222 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.570 9.612 8.509 1.00 0.00 C ATOM 777 CZ TYR A 55 2.641 8.920 9.035 1.00 0.00 C ATOM 778 OH TYR A 55 3.791 9.595 9.377 1.00 0.00 O ATOM 0 H TYR A 55 -3.847 6.401 8.377 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.398 6.046 9.926 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.679 5.843 7.555 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.462 7.367 7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.353 5.813 9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.419 9.476 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.404 7.016 9.636 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.632 10.680 8.364 1.00 0.00 H new ATOM 0 HH TYR A 55 4.521 8.954 9.505 1.00 0.00 H new ATOM 788 N ASN A 56 -1.574 8.443 10.694 1.00 0.00 N ATOM 789 CA ASN A 56 -1.868 9.724 11.325 1.00 0.00 C ATOM 790 C ASN A 56 -0.584 10.495 11.616 1.00 0.00 C ATOM 791 O ASN A 56 0.350 9.960 12.212 1.00 0.00 O ATOM 792 CB ASN A 56 -2.653 9.509 12.621 1.00 0.00 C ATOM 793 CG ASN A 56 -3.530 10.696 12.969 1.00 0.00 C ATOM 794 OD1 ASN A 56 -4.672 10.534 13.398 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.997 11.899 12.786 1.00 0.00 N ATOM 0 H ASN A 56 -0.754 7.967 11.069 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.474 10.311 10.634 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.274 8.618 12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.956 9.324 13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.539 12.735 13.004 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.046 11.986 12.428 1.00 0.00 H new ATOM 802 N GLN A 57 -0.548 11.754 11.192 1.00 0.00 N ATOM 803 CA GLN A 57 0.622 12.598 11.407 1.00 0.00 C ATOM 804 C GLN A 57 0.630 13.166 12.822 1.00 0.00 C ATOM 805 O GLN A 57 1.609 13.023 13.555 1.00 0.00 O ATOM 806 CB GLN A 57 0.649 13.738 10.387 1.00 0.00 C ATOM 807 CG GLN A 57 1.868 14.637 10.512 1.00 0.00 C ATOM 808 CD GLN A 57 2.995 14.224 9.586 1.00 0.00 C ATOM 809 OE1 GLN A 57 3.887 13.469 9.974 1.00 0.00 O ATOM 810 NE2 GLN A 57 2.961 14.718 8.354 1.00 0.00 N ATOM 0 H GLN A 57 -1.314 12.212 10.698 1.00 0.00 H new ATOM 0 HA GLN A 57 1.512 11.982 11.277 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.620 13.316 9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.251 14.342 10.505 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.581 15.665 10.292 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.224 14.619 11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.203 15.340 8.075 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.693 14.475 7.687 1.00 0.00 H new ATOM 819 N LYS A 58 -0.467 13.812 13.202 1.00 0.00 N ATOM 820 CA LYS A 58 -0.588 14.402 14.530 1.00 0.00 C ATOM 821 C LYS A 58 0.019 13.486 15.589 1.00 0.00 C ATOM 822 O LYS A 58 1.013 13.833 16.225 1.00 0.00 O ATOM 823 CB LYS A 58 -2.058 14.674 14.858 1.00 0.00 C ATOM 824 CG LYS A 58 -2.287 15.142 16.284 1.00 0.00 C ATOM 825 CD LYS A 58 -3.640 15.815 16.441 1.00 0.00 C ATOM 826 CE LYS A 58 -4.759 14.793 16.571 1.00 0.00 C ATOM 827 NZ LYS A 58 -6.076 15.441 16.818 1.00 0.00 N ATOM 0 H LYS A 58 -1.286 13.940 12.608 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.041 15.345 14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.441 15.429 14.171 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.634 13.765 14.686 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.223 14.291 16.962 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.498 15.838 16.570 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.628 16.457 17.322 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.830 16.457 15.581 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.813 14.196 15.661 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.532 14.108 17.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.812 14.711 16.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.033 15.990 17.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.305 16.075 16.026 1.00 0.00 H new ATOM 841 N GLU A 59 -0.586 12.317 15.770 1.00 0.00 N ATOM 842 CA GLU A 59 -0.104 11.352 16.752 1.00 0.00 C ATOM 843 C GLU A 59 -0.182 9.931 16.202 1.00 0.00 C ATOM 844 O GLU A 59 -0.531 9.721 15.041 1.00 0.00 O ATOM 845 CB GLU A 59 -0.916 11.457 18.044 1.00 0.00 C ATOM 846 CG GLU A 59 -2.414 11.316 17.835 1.00 0.00 C ATOM 847 CD GLU A 59 -3.189 11.318 19.138 1.00 0.00 C ATOM 848 OE1 GLU A 59 -2.608 10.930 20.173 1.00 0.00 O ATOM 849 OE2 GLU A 59 -4.375 11.707 19.124 1.00 0.00 O ATOM 0 H GLU A 59 -1.410 12.015 15.250 1.00 0.00 H new ATOM 0 HA GLU A 59 0.939 11.582 16.968 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.580 10.686 18.738 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.712 12.419 18.514 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.767 12.133 17.206 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.616 10.389 17.298 1.00 0.00 H new ATOM 856 N GLY A 60 0.146 8.957 17.046 1.00 0.00 N ATOM 857 CA GLY A 60 0.107 7.568 16.628 1.00 0.00 C ATOM 858 C GLY A 60 1.379 7.140 15.922 1.00 0.00 C ATOM 859 O GLY A 60 1.570 7.430 14.741 1.00 0.00 O ATOM 0 H GLY A 60 0.438 9.106 18.012 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.052 6.934 17.500 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.743 7.415 15.963 1.00 0.00 H new ATOM 863 N HIS A 61 2.252 6.448 16.648 1.00 0.00 N ATOM 864 CA HIS A 61 3.513 5.980 16.085 1.00 0.00 C ATOM 865 C HIS A 61 3.342 4.610 15.434 1.00 0.00 C ATOM 866 O HIS A 61 3.501 3.578 16.085 1.00 0.00 O ATOM 867 CB HIS A 61 4.587 5.910 17.171 1.00 0.00 C ATOM 868 CG HIS A 61 5.658 4.902 16.891 1.00 0.00 C ATOM 869 ND1 HIS A 61 6.425 4.917 15.744 1.00 0.00 N ATOM 870 CD2 HIS A 61 6.091 3.845 17.617 1.00 0.00 C ATOM 871 CE1 HIS A 61 7.281 3.912 15.777 1.00 0.00 C ATOM 872 NE2 HIS A 61 7.099 3.246 16.903 1.00 0.00 N ATOM 0 H HIS A 61 2.109 6.199 17.627 1.00 0.00 H new ATOM 0 HA HIS A 61 3.826 6.691 15.320 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.045 6.893 17.281 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.114 5.670 18.123 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.714 3.531 18.579 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.007 3.675 15.013 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.622 2.421 17.195 1.00 0.00 H new ATOM 881 N PHE A 62 3.016 4.609 14.146 1.00 0.00 N ATOM 882 CA PHE A 62 2.821 3.367 13.407 1.00 0.00 C ATOM 883 C PHE A 62 4.130 2.895 12.781 1.00 0.00 C ATOM 884 O PHE A 62 4.674 3.521 11.871 1.00 0.00 O ATOM 885 CB PHE A 62 1.762 3.556 12.319 1.00 0.00 C ATOM 886 CG PHE A 62 0.455 4.083 12.840 1.00 0.00 C ATOM 887 CD1 PHE A 62 0.072 3.850 14.151 1.00 0.00 C ATOM 888 CD2 PHE A 62 -0.390 4.811 12.018 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.130 4.333 14.632 1.00 0.00 C ATOM 890 CE2 PHE A 62 -1.594 5.296 12.494 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.963 5.058 13.803 1.00 0.00 C ATOM 0 H PHE A 62 2.881 5.455 13.592 1.00 0.00 H new ATOM 0 HA PHE A 62 2.479 2.607 14.109 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.146 4.242 11.564 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.588 2.601 11.823 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.720 3.285 14.804 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.105 5.002 10.994 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.418 4.144 15.656 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.245 5.860 11.843 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.902 5.438 14.178 1.00 0.00 H new ATOM 901 N PRO A 63 4.651 1.765 13.281 1.00 0.00 N ATOM 902 CA PRO A 63 5.902 1.183 12.787 1.00 0.00 C ATOM 903 C PRO A 63 5.760 0.612 11.380 1.00 0.00 C ATOM 904 O PRO A 63 6.570 0.900 10.499 1.00 0.00 O ATOM 905 CB PRO A 63 6.195 0.066 13.791 1.00 0.00 C ATOM 906 CG PRO A 63 4.863 -0.303 14.347 1.00 0.00 C ATOM 907 CD PRO A 63 4.057 0.967 14.367 1.00 0.00 C ATOM 0 HA PRO A 63 6.696 1.926 12.713 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.672 -0.786 13.307 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.871 0.406 14.576 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.380 -1.062 13.732 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.960 -0.719 15.350 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.999 0.774 14.191 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.133 1.476 15.328 1.00 0.00 H new ATOM 915 N ARG A 64 4.727 -0.198 11.177 1.00 0.00 N ATOM 916 CA ARG A 64 4.479 -0.810 9.877 1.00 0.00 C ATOM 917 C ARG A 64 4.526 0.235 8.767 1.00 0.00 C ATOM 918 O ARG A 64 5.056 -0.017 7.684 1.00 0.00 O ATOM 919 CB ARG A 64 3.122 -1.516 9.872 1.00 0.00 C ATOM 920 CG ARG A 64 2.938 -2.491 11.023 1.00 0.00 C ATOM 921 CD ARG A 64 1.897 -3.550 10.695 1.00 0.00 C ATOM 922 NE ARG A 64 0.694 -2.970 10.103 1.00 0.00 N ATOM 923 CZ ARG A 64 -0.422 -3.656 9.886 1.00 0.00 C ATOM 924 NH1 ARG A 64 -0.489 -4.940 10.211 1.00 0.00 N ATOM 925 NH2 ARG A 64 -1.475 -3.058 9.343 1.00 0.00 N ATOM 0 H ARG A 64 4.048 -0.446 11.896 1.00 0.00 H new ATOM 0 HA ARG A 64 5.263 -1.545 9.694 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.332 -0.766 9.912 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.005 -2.052 8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.889 -2.972 11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.636 -1.947 11.918 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.325 -4.278 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.630 -4.090 11.604 1.00 0.00 H new ATOM 0 HE ARG A 64 0.712 -1.984 9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.318 -5.403 10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.348 -5.464 10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.427 -2.071 9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.332 -3.586 9.177 1.00 0.00 H new ATOM 939 N VAL A 65 3.966 1.409 9.042 1.00 0.00 N ATOM 940 CA VAL A 65 3.944 2.493 8.067 1.00 0.00 C ATOM 941 C VAL A 65 5.302 3.179 7.977 1.00 0.00 C ATOM 942 O VAL A 65 5.815 3.699 8.969 1.00 0.00 O ATOM 943 CB VAL A 65 2.872 3.542 8.418 1.00 0.00 C ATOM 944 CG1 VAL A 65 2.781 4.598 7.327 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.524 2.873 8.638 1.00 0.00 C ATOM 0 H VAL A 65 3.521 1.634 9.932 1.00 0.00 H new ATOM 0 HA VAL A 65 3.702 2.047 7.103 1.00 0.00 H new ATOM 0 HB VAL A 65 3.162 4.036 9.345 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.019 5.330 7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.744 5.098 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.515 4.123 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.779 3.629 8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.224 2.351 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.602 2.159 9.458 1.00 0.00 H new ATOM 955 N THR A 66 5.882 3.179 6.781 1.00 0.00 N ATOM 956 CA THR A 66 7.181 3.802 6.561 1.00 0.00 C ATOM 957 C THR A 66 7.074 4.966 5.583 1.00 0.00 C ATOM 958 O THR A 66 7.025 4.768 4.368 1.00 0.00 O ATOM 959 CB THR A 66 8.206 2.786 6.022 1.00 0.00 C ATOM 960 OG1 THR A 66 8.398 1.732 6.973 1.00 0.00 O ATOM 961 CG2 THR A 66 9.538 3.463 5.733 1.00 0.00 C ATOM 0 H THR A 66 5.472 2.754 5.949 1.00 0.00 H new ATOM 0 HA THR A 66 7.522 4.174 7.527 1.00 0.00 H new ATOM 0 HB THR A 66 7.818 2.370 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.050 1.090 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.246 2.726 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.394 4.245 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.929 3.903 6.650 1.00 0.00 H new ATOM 969 N THR A 67 7.040 6.182 6.119 1.00 0.00 N ATOM 970 CA THR A 67 6.939 7.379 5.293 1.00 0.00 C ATOM 971 C THR A 67 8.074 7.444 4.279 1.00 0.00 C ATOM 972 O THR A 67 9.248 7.348 4.638 1.00 0.00 O ATOM 973 CB THR A 67 6.959 8.657 6.153 1.00 0.00 C ATOM 974 OG1 THR A 67 8.184 8.732 6.891 1.00 0.00 O ATOM 975 CG2 THR A 67 5.780 8.683 7.113 1.00 0.00 C ATOM 0 H THR A 67 7.081 6.364 7.122 1.00 0.00 H new ATOM 0 HA THR A 67 5.987 7.320 4.765 1.00 0.00 H new ATOM 0 HB THR A 67 6.883 9.517 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.886 8.246 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.816 9.595 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.849 8.656 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.828 7.816 7.772 1.00 0.00 H new ATOM 983 N VAL A 68 7.718 7.609 3.008 1.00 0.00 N ATOM 984 CA VAL A 68 8.708 7.689 1.941 1.00 0.00 C ATOM 985 C VAL A 68 9.556 8.949 2.071 1.00 0.00 C ATOM 986 O VAL A 68 10.772 8.913 1.887 1.00 0.00 O ATOM 987 CB VAL A 68 8.039 7.675 0.553 1.00 0.00 C ATOM 988 CG1 VAL A 68 9.032 8.089 -0.522 1.00 0.00 C ATOM 989 CG2 VAL A 68 7.461 6.299 0.256 1.00 0.00 C ATOM 0 H VAL A 68 6.751 7.690 2.693 1.00 0.00 H new ATOM 0 HA VAL A 68 9.348 6.812 2.037 1.00 0.00 H new ATOM 0 HB VAL A 68 7.221 8.395 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.542 8.073 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.394 9.096 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.872 7.395 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.992 6.306 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.260 5.558 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.716 6.046 1.011 1.00 0.00 H new ATOM 999 N SER A 69 8.905 10.063 2.391 1.00 0.00 N ATOM 1000 CA SER A 69 9.599 11.337 2.543 1.00 0.00 C ATOM 1001 C SER A 69 9.513 11.833 3.983 1.00 0.00 C ATOM 1002 O SER A 69 8.556 11.535 4.697 1.00 0.00 O ATOM 1003 CB SER A 69 9.006 12.381 1.595 1.00 0.00 C ATOM 1004 OG SER A 69 7.616 12.542 1.819 1.00 0.00 O ATOM 0 H SER A 69 7.899 10.109 2.550 1.00 0.00 H new ATOM 0 HA SER A 69 10.649 11.184 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.513 13.335 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.178 12.079 0.562 1.00 0.00 H new ATOM 0 HG SER A 69 7.405 13.496 1.895 1.00 0.00 H new ATOM 1010 N GLU A 70 10.520 12.593 4.402 1.00 0.00 N ATOM 1011 CA GLU A 70 10.559 13.131 5.757 1.00 0.00 C ATOM 1012 C GLU A 70 9.458 14.167 5.963 1.00 0.00 C ATOM 1013 O GLU A 70 9.396 15.174 5.256 1.00 0.00 O ATOM 1014 CB GLU A 70 11.925 13.760 6.041 1.00 0.00 C ATOM 1015 CG GLU A 70 12.146 14.099 7.505 1.00 0.00 C ATOM 1016 CD GLU A 70 12.697 12.930 8.298 1.00 0.00 C ATOM 1017 OE1 GLU A 70 12.110 11.831 8.219 1.00 0.00 O ATOM 1018 OE2 GLU A 70 13.714 13.114 8.998 1.00 0.00 O ATOM 0 H GLU A 70 11.319 12.850 3.823 1.00 0.00 H new ATOM 0 HA GLU A 70 10.394 12.308 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.706 13.074 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.028 14.668 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.835 14.940 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.202 14.420 7.946 1.00 0.00 H new ATOM 1025 N LEU A 71 8.589 13.912 6.935 1.00 0.00 N ATOM 1026 CA LEU A 71 7.488 14.821 7.235 1.00 0.00 C ATOM 1027 C LEU A 71 7.932 15.912 8.204 1.00 0.00 C ATOM 1028 O LEU A 71 7.620 17.089 8.018 1.00 0.00 O ATOM 1029 CB LEU A 71 6.308 14.047 7.826 1.00 0.00 C ATOM 1030 CG LEU A 71 5.745 12.918 6.961 1.00 0.00 C ATOM 1031 CD1 LEU A 71 4.787 12.056 7.767 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.051 13.484 5.731 1.00 0.00 C ATOM 0 H LEU A 71 8.625 13.083 7.529 1.00 0.00 H new ATOM 0 HA LEU A 71 7.175 15.293 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.618 13.625 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.504 14.753 8.035 1.00 0.00 H new ATOM 0 HG LEU A 71 6.573 12.292 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.396 11.258 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.315 11.621 8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.962 12.670 8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.657 12.667 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.233 14.133 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.766 14.058 5.142 1.00 0.00 H new ATOM 1118 N ASN A 76 6.542 20.102 3.258 1.00 0.00 N ATOM 1119 CA ASN A 76 6.622 18.829 2.552 1.00 0.00 C ATOM 1120 C ASN A 76 5.275 18.462 1.938 1.00 0.00 C ATOM 1121 O ASN A 76 4.345 18.067 2.644 1.00 0.00 O ATOM 1122 CB ASN A 76 7.080 17.722 3.503 1.00 0.00 C ATOM 1123 CG ASN A 76 6.708 16.339 3.003 1.00 0.00 C ATOM 1124 OD1 ASN A 76 7.262 15.853 2.018 1.00 0.00 O ATOM 1125 ND2 ASN A 76 5.763 15.700 3.683 1.00 0.00 N ATOM 0 HA ASN A 76 7.351 18.933 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.161 17.781 3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.634 17.883 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.469 14.767 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.331 16.142 4.494 1.00 0.00 H new ATOM 1132 N LEU A 77 5.175 18.595 0.620 1.00 0.00 N ATOM 1133 CA LEU A 77 3.941 18.277 -0.090 1.00 0.00 C ATOM 1134 C LEU A 77 3.771 16.768 -0.236 1.00 0.00 C ATOM 1135 O LEU A 77 2.669 16.240 -0.084 1.00 0.00 O ATOM 1136 CB LEU A 77 3.939 18.938 -1.470 1.00 0.00 C ATOM 1137 CG LEU A 77 3.722 20.451 -1.488 1.00 0.00 C ATOM 1138 CD1 LEU A 77 3.828 20.988 -2.907 1.00 0.00 C ATOM 1139 CD2 LEU A 77 2.371 20.804 -0.882 1.00 0.00 C ATOM 0 H LEU A 77 5.934 18.921 0.021 1.00 0.00 H new ATOM 0 HA LEU A 77 3.105 18.664 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.890 18.722 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.160 18.472 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 77 4.501 20.918 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.671 22.067 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.818 20.768 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.071 20.515 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.234 21.885 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.578 20.326 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.332 20.454 0.149 1.00 0.00 H new ATOM 1151 N ASP A 78 4.868 16.080 -0.530 1.00 0.00 N ATOM 1152 CA ASP A 78 4.841 14.631 -0.694 1.00 0.00 C ATOM 1153 C ASP A 78 4.365 13.949 0.585 1.00 0.00 C ATOM 1154 O ASP A 78 4.978 14.092 1.643 1.00 0.00 O ATOM 1155 CB ASP A 78 6.228 14.113 -1.076 1.00 0.00 C ATOM 1156 CG ASP A 78 6.195 12.682 -1.576 1.00 0.00 C ATOM 1157 OD1 ASP A 78 5.310 11.921 -1.134 1.00 0.00 O ATOM 1158 OD2 ASP A 78 7.055 12.324 -2.408 1.00 0.00 O ATOM 0 H ASP A 78 5.788 16.502 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 78 4.140 14.394 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.652 14.755 -1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.888 14.177 -0.211 1.00 0.00 H new ATOM 1163 N PHE A 79 3.268 13.207 0.481 1.00 0.00 N ATOM 1164 CA PHE A 79 2.708 12.504 1.629 1.00 0.00 C ATOM 1165 C PHE A 79 2.494 11.027 1.311 1.00 0.00 C ATOM 1166 O PHE A 79 1.497 10.431 1.719 1.00 0.00 O ATOM 1167 CB PHE A 79 1.383 13.144 2.050 1.00 0.00 C ATOM 1168 CG PHE A 79 1.524 14.567 2.508 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.177 14.866 3.693 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.004 15.606 1.753 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.307 16.175 4.117 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.132 16.917 2.172 1.00 0.00 C ATOM 1173 CZ PHE A 79 1.785 17.202 3.355 1.00 0.00 C ATOM 0 H PHE A 79 2.749 13.077 -0.387 1.00 0.00 H new ATOM 0 HA PHE A 79 3.418 12.581 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.688 13.108 1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.943 12.554 2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.589 14.067 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.493 15.389 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.816 16.395 5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.722 17.718 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.887 18.226 3.684 1.00 0.00 H new ATOM 1183 N SER A 80 3.437 10.442 0.580 1.00 0.00 N ATOM 1184 CA SER A 80 3.351 9.036 0.203 1.00 0.00 C ATOM 1185 C SER A 80 3.909 8.142 1.306 1.00 0.00 C ATOM 1186 O SER A 80 5.012 8.369 1.804 1.00 0.00 O ATOM 1187 CB SER A 80 4.109 8.789 -1.102 1.00 0.00 C ATOM 1188 OG SER A 80 5.510 8.780 -0.885 1.00 0.00 O ATOM 0 H SER A 80 4.270 10.920 0.237 1.00 0.00 H new ATOM 0 HA SER A 80 2.300 8.789 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.798 7.837 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.855 9.563 -1.826 1.00 0.00 H new ATOM 0 HG SER A 80 5.849 9.699 -0.898 1.00 0.00 H new ATOM 1194 N ILE A 81 3.139 7.127 1.683 1.00 0.00 N ATOM 1195 CA ILE A 81 3.556 6.199 2.726 1.00 0.00 C ATOM 1196 C ILE A 81 3.748 4.793 2.166 1.00 0.00 C ATOM 1197 O ILE A 81 3.208 4.454 1.113 1.00 0.00 O ATOM 1198 CB ILE A 81 2.532 6.146 3.875 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.109 6.086 3.317 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.698 7.351 4.789 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.108 5.482 4.277 1.00 0.00 C ATOM 0 H ILE A 81 2.223 6.927 1.282 1.00 0.00 H new ATOM 0 HA ILE A 81 4.506 6.566 3.114 1.00 0.00 H new ATOM 0 HB ILE A 81 2.711 5.244 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.787 7.094 3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.113 5.504 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.967 7.299 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.704 7.353 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.542 8.266 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.879 5.472 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.406 4.462 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.075 6.077 5.190 1.00 0.00 H new ATOM 1213 N SER A 82 4.520 3.979 2.879 1.00 0.00 N ATOM 1214 CA SER A 82 4.786 2.610 2.453 1.00 0.00 C ATOM 1215 C SER A 82 4.503 1.625 3.583 1.00 0.00 C ATOM 1216 O SER A 82 5.268 1.529 4.543 1.00 0.00 O ATOM 1217 CB SER A 82 6.237 2.470 1.990 1.00 0.00 C ATOM 1218 OG SER A 82 6.408 2.991 0.683 1.00 0.00 O ATOM 0 H SER A 82 4.972 4.244 3.754 1.00 0.00 H new ATOM 0 HA SER A 82 4.123 2.380 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.895 2.994 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.528 1.420 2.007 1.00 0.00 H new ATOM 0 HG SER A 82 7.344 2.891 0.411 1.00 0.00 H new ATOM 1224 N ILE A 83 3.399 0.895 3.461 1.00 0.00 N ATOM 1225 CA ILE A 83 3.016 -0.084 4.470 1.00 0.00 C ATOM 1226 C ILE A 83 3.653 -1.441 4.191 1.00 0.00 C ATOM 1227 O ILE A 83 3.348 -2.086 3.188 1.00 0.00 O ATOM 1228 CB ILE A 83 1.486 -0.252 4.539 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.810 1.109 4.715 1.00 0.00 C ATOM 1230 CG2 ILE A 83 1.107 -1.188 5.677 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.697 1.055 4.592 1.00 0.00 C ATOM 0 H ILE A 83 2.755 0.963 2.673 1.00 0.00 H new ATOM 0 HA ILE A 83 3.376 0.293 5.427 1.00 0.00 H new ATOM 0 HB ILE A 83 1.140 -0.691 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.073 1.512 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.203 1.800 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.023 -1.297 5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.564 -2.164 5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.462 -0.775 6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.109 2.055 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.968 0.682 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.101 0.390 5.355 1.00 0.00 H new ATOM 1243 N SER A 84 4.538 -1.869 5.085 1.00 0.00 N ATOM 1244 CA SER A 84 5.220 -3.149 4.934 1.00 0.00 C ATOM 1245 C SER A 84 4.391 -4.280 5.535 1.00 0.00 C ATOM 1246 O SER A 84 3.522 -4.049 6.374 1.00 0.00 O ATOM 1247 CB SER A 84 6.596 -3.099 5.601 1.00 0.00 C ATOM 1248 OG SER A 84 7.374 -4.230 5.249 1.00 0.00 O ATOM 0 H SER A 84 4.800 -1.348 5.922 1.00 0.00 H new ATOM 0 HA SER A 84 5.347 -3.342 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.116 -2.189 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.478 -3.058 6.684 1.00 0.00 H new ATOM 0 HG SER A 84 8.249 -4.174 5.686 1.00 0.00 H new ATOM 1254 N ASN A 85 4.668 -5.504 5.098 1.00 0.00 N ATOM 1255 CA ASN A 85 3.949 -6.673 5.592 1.00 0.00 C ATOM 1256 C ASN A 85 2.479 -6.619 5.185 1.00 0.00 C ATOM 1257 O ASN A 85 1.588 -6.784 6.018 1.00 0.00 O ATOM 1258 CB ASN A 85 4.065 -6.763 7.115 1.00 0.00 C ATOM 1259 CG ASN A 85 3.450 -8.035 7.667 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.447 -7.994 8.379 1.00 0.00 O ATOM 1261 ND2 ASN A 85 4.050 -9.173 7.340 1.00 0.00 N ATOM 0 H ASN A 85 5.385 -5.712 4.403 1.00 0.00 H new ATOM 0 HA ASN A 85 4.399 -7.561 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.116 -6.717 7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.575 -5.900 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.681 -10.060 7.682 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.880 -9.160 6.747 1.00 0.00 H new ATOM 1268 N ILE A 86 2.235 -6.387 3.900 1.00 0.00 N ATOM 1269 CA ILE A 86 0.875 -6.313 3.382 1.00 0.00 C ATOM 1270 C ILE A 86 0.125 -7.620 3.617 1.00 0.00 C ATOM 1271 O ILE A 86 0.717 -8.700 3.598 1.00 0.00 O ATOM 1272 CB ILE A 86 0.862 -5.990 1.877 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.202 -4.516 1.646 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.494 -6.326 1.274 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.131 -3.565 2.131 1.00 0.00 C ATOM 0 H ILE A 86 2.962 -6.247 3.198 1.00 0.00 H new ATOM 0 HA ILE A 86 0.376 -5.508 3.922 1.00 0.00 H new ATOM 0 HB ILE A 86 1.619 -6.600 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.139 -4.284 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.367 -4.352 0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.487 -6.092 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.700 -7.388 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.268 -5.740 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.440 -2.538 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.802 -3.770 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.018 -3.700 3.202 1.00 0.00 H new ATOM 1287 N THR A 87 -1.182 -7.515 3.837 1.00 0.00 N ATOM 1288 CA THR A 87 -2.013 -8.689 4.074 1.00 0.00 C ATOM 1289 C THR A 87 -3.209 -8.716 3.129 1.00 0.00 C ATOM 1290 O THR A 87 -3.663 -7.684 2.634 1.00 0.00 O ATOM 1291 CB THR A 87 -2.521 -8.733 5.528 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.035 -7.451 5.906 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.404 -9.138 6.479 1.00 0.00 C ATOM 0 H THR A 87 -1.688 -6.629 3.856 1.00 0.00 H new ATOM 0 HA THR A 87 -1.387 -9.562 3.889 1.00 0.00 H new ATOM 0 HB THR A 87 -3.317 -9.476 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.886 -7.566 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.786 -9.162 7.500 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.034 -10.127 6.206 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.590 -8.416 6.413 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.734 -9.923 2.872 1.00 0.00 N ATOM 1302 CA PRO A 88 -4.886 -10.113 1.986 1.00 0.00 C ATOM 1303 C PRO A 88 -6.177 -9.571 2.589 1.00 0.00 C ATOM 1304 O PRO A 88 -7.193 -9.456 1.904 1.00 0.00 O ATOM 1305 CB PRO A 88 -4.966 -11.633 1.829 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.323 -12.175 3.059 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.244 -11.195 3.428 1.00 0.00 C ATOM 0 HA PRO A 88 -4.767 -9.579 1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.000 -11.968 1.742 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.446 -11.966 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.049 -12.278 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.905 -13.165 2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.107 -11.135 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.282 -11.477 3.000 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.130 -9.238 3.875 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.296 -8.706 4.569 1.00 0.00 C ATOM 1317 C ALA A 89 -7.177 -7.199 4.767 1.00 0.00 C ATOM 1318 O ALA A 89 -8.100 -6.553 5.263 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.476 -9.404 5.909 1.00 0.00 C ATOM 0 H ALA A 89 -5.297 -9.327 4.457 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.174 -8.896 3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.350 -8.997 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.615 -10.473 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.591 -9.243 6.525 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.034 -6.645 4.378 1.00 0.00 N ATOM 1326 CA ASP A 90 -5.793 -5.213 4.512 1.00 0.00 C ATOM 1327 C ASP A 90 -6.235 -4.467 3.256 1.00 0.00 C ATOM 1328 O ASP A 90 -6.517 -3.270 3.300 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.312 -4.946 4.785 1.00 0.00 C ATOM 1330 CG ASP A 90 -3.981 -4.976 6.264 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -4.623 -5.754 6.999 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.081 -4.220 6.686 1.00 0.00 O ATOM 0 H ASP A 90 -5.259 -7.166 3.967 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.381 -4.848 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.710 -5.692 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.039 -3.974 4.374 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.291 -5.184 2.138 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.698 -4.591 0.871 1.00 0.00 C ATOM 1339 C ALA A 91 -7.997 -3.807 1.024 1.00 0.00 C ATOM 1340 O ALA A 91 -8.621 -3.821 2.084 1.00 0.00 O ATOM 1341 CB ALA A 91 -6.852 -5.669 -0.191 1.00 0.00 C ATOM 0 H ALA A 91 -6.060 -6.176 2.085 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.919 -3.896 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.156 -5.212 -1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.901 -6.183 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.609 -6.386 0.126 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.399 -3.123 -0.043 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.622 -2.342 -0.006 1.00 0.00 C ATOM 1349 C GLY A 92 -9.515 -1.058 -0.804 1.00 0.00 C ATOM 1350 O GLY A 92 -9.436 -1.086 -2.033 1.00 0.00 O ATOM 0 H GLY A 92 -7.900 -3.096 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.444 -2.942 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.866 -2.103 1.029 1.00 0.00 H new ATOM 1354 N THR A 93 -9.513 0.074 -0.106 1.00 0.00 N ATOM 1355 CA THR A 93 -9.417 1.374 -0.757 1.00 0.00 C ATOM 1356 C THR A 93 -8.945 2.445 0.220 1.00 0.00 C ATOM 1357 O THR A 93 -9.691 2.861 1.107 1.00 0.00 O ATOM 1358 CB THR A 93 -10.770 1.802 -1.357 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.427 0.672 -1.941 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.577 2.883 -2.410 1.00 0.00 C ATOM 0 H THR A 93 -9.577 0.116 0.911 1.00 0.00 H new ATOM 0 HA THR A 93 -8.687 1.273 -1.560 1.00 0.00 H new ATOM 0 HB THR A 93 -11.387 2.205 -0.554 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.761 0.083 -2.353 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.546 3.169 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 93 -10.104 3.753 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.943 2.502 -3.211 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.704 2.887 0.051 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.132 3.909 0.920 1.00 0.00 C ATOM 1370 C TYR A 94 -7.367 5.304 0.348 1.00 0.00 C ATOM 1371 O TYR A 94 -6.932 5.614 -0.761 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.634 3.668 1.107 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.309 2.334 1.739 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.592 1.144 1.080 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.721 2.262 2.996 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.298 -0.078 1.653 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.422 1.045 3.576 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.713 -0.122 2.901 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.418 -1.337 3.477 1.00 0.00 O ATOM 0 H TYR A 94 -7.075 2.554 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.627 3.845 1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.141 3.731 0.137 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.221 4.464 1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.050 1.175 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.494 3.174 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.525 -0.993 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.963 1.007 4.553 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.183 -1.941 3.376 1.00 0.00 H new ATOM 1389 N TYR A 95 -8.058 6.141 1.113 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.353 7.503 0.683 1.00 0.00 C ATOM 1391 C TYR A 95 -7.517 8.513 1.463 1.00 0.00 C ATOM 1392 O TYR A 95 -7.663 8.652 2.678 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.841 7.806 0.866 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.751 6.773 0.241 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -11.089 5.612 0.924 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.274 6.959 -1.033 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.919 4.665 0.357 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -12.106 6.018 -1.608 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.426 4.873 -0.910 1.00 0.00 C ATOM 1400 OH TYR A 95 -13.254 3.932 -1.478 1.00 0.00 O ATOM 0 H TYR A 95 -8.425 5.901 2.034 1.00 0.00 H new ATOM 0 HA TYR A 95 -8.099 7.587 -0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.061 7.874 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.061 8.781 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.696 5.447 1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.026 7.855 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.170 3.767 0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.504 6.178 -2.599 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.524 4.231 -2.371 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.641 9.218 0.755 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.780 10.216 1.377 1.00 0.00 C ATOM 1412 C CYS A 96 -6.589 11.432 1.819 1.00 0.00 C ATOM 1413 O CYS A 96 -6.998 12.252 0.996 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.679 10.648 0.406 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.122 11.133 1.217 1.00 0.00 S ATOM 0 H CYS A 96 -6.509 9.116 -0.251 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.322 9.766 2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.477 9.830 -0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.042 11.485 -0.190 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.817 11.542 3.124 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.576 12.658 3.676 1.00 0.00 C ATOM 1422 C VAL A 97 -6.652 13.791 4.108 1.00 0.00 C ATOM 1423 O VAL A 97 -5.677 13.572 4.827 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.427 12.217 4.881 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.088 13.419 5.538 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.468 11.194 4.452 1.00 0.00 C ATOM 0 H VAL A 97 -6.487 10.872 3.819 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.236 13.013 2.885 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.771 11.748 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.685 13.087 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.321 14.113 5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.732 13.920 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.060 10.893 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.122 11.634 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.969 10.320 4.033 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.965 15.004 3.665 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.164 16.174 4.007 1.00 0.00 C ATOM 1438 C LYS A 98 -6.837 16.992 5.105 1.00 0.00 C ATOM 1439 O LYS A 98 -7.648 17.876 4.826 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.944 17.046 2.769 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.357 18.411 3.083 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.926 18.301 3.583 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.529 19.516 4.407 1.00 0.00 C ATOM 1444 NZ LYS A 98 -2.072 19.807 4.300 1.00 0.00 N ATOM 0 H LYS A 98 -7.768 15.203 3.068 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.199 15.827 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.280 16.524 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.896 17.179 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.384 19.034 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.969 18.907 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.819 17.400 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.250 18.199 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.098 20.383 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.790 19.347 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.635 19.740 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.626 19.118 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.936 20.767 3.923 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.494 16.693 6.353 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.065 17.401 7.493 1.00 0.00 C ATOM 1460 C PHE A 99 -6.515 18.822 7.582 1.00 0.00 C ATOM 1461 O PHE A 99 -5.368 19.079 7.214 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.769 16.646 8.790 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.826 15.642 9.154 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.810 14.370 8.606 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.836 15.972 10.044 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.781 13.444 8.939 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.809 15.050 10.381 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.782 13.785 9.827 1.00 0.00 C ATOM 0 H PHE A 99 -5.824 15.965 6.601 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.144 17.456 7.351 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.811 16.134 8.693 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.666 17.364 9.604 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.030 14.098 7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.863 16.960 10.479 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.757 12.455 8.505 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.590 15.318 11.077 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.542 13.064 10.088 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.341 19.741 8.071 1.00 0.00 N ATOM 1479 CA ARG A 100 -6.939 21.135 8.207 1.00 0.00 C ATOM 1480 C ARG A 100 -6.795 21.519 9.676 1.00 0.00 C ATOM 1481 O ARG A 100 -7.656 21.206 10.498 1.00 0.00 O ATOM 1482 CB ARG A 100 -7.959 22.051 7.527 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.102 22.471 8.436 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.299 22.959 7.636 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.245 23.701 8.465 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.326 24.307 7.985 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.595 24.259 6.688 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.139 24.962 8.803 1.00 0.00 N ATOM 0 H ARG A 100 -8.293 19.545 8.380 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.971 21.256 7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.448 22.943 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.368 21.541 6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.400 21.629 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.764 23.262 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.955 23.595 6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.805 22.106 7.183 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.066 23.757 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.972 23.756 6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.425 24.725 6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.935 25.001 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -13.968 25.427 8.433 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.701 22.200 10.000 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.443 22.628 11.370 1.00 0.00 C ATOM 1504 C LYS A 101 -6.655 23.348 11.952 1.00 0.00 C ATOM 1505 O LYS A 101 -7.011 24.440 11.513 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.220 23.547 11.417 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.531 23.573 12.771 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.479 24.667 12.840 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.138 24.185 12.307 1.00 0.00 C ATOM 1510 NZ LYS A 101 -0.490 23.214 13.232 1.00 0.00 N ATOM 0 H LYS A 101 -4.978 22.468 9.332 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.246 21.740 11.971 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.504 23.225 10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.526 24.560 11.155 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.272 23.730 13.555 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.065 22.606 12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.812 25.530 12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.364 24.998 13.872 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.281 23.718 11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.478 25.040 12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.526 23.155 13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.618 23.532 14.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.925 22.277 13.112 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.285 22.728 12.946 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.450 23.325 13.573 1.00 0.00 C ATOM 1526 C GLY A 102 -8.456 23.141 15.077 1.00 0.00 C ATOM 1527 O GLY A 102 -7.470 22.688 15.659 1.00 0.00 O ATOM 0 H GLY A 102 -7.009 21.823 13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.479 24.389 13.340 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.353 22.882 13.152 1.00 0.00 H new ATOM 1531 N SER A 103 -9.570 23.495 15.710 1.00 0.00 N ATOM 1532 CA SER A 103 -9.699 23.372 17.158 1.00 0.00 C ATOM 1533 C SER A 103 -11.117 22.963 17.544 1.00 0.00 C ATOM 1534 O SER A 103 -12.094 23.320 16.886 1.00 0.00 O ATOM 1535 CB SER A 103 -9.333 24.693 17.838 1.00 0.00 C ATOM 1536 OG SER A 103 -9.908 24.777 19.131 1.00 0.00 O ATOM 0 H SER A 103 -10.396 23.869 15.243 1.00 0.00 H new ATOM 0 HA SER A 103 -9.012 22.596 17.495 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.249 24.779 17.912 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.678 25.528 17.228 1.00 0.00 H new ATOM 0 HG SER A 103 -9.658 25.629 19.545 1.00 0.00 H new ATOM 1542 N PRO A 104 -11.234 22.196 18.638 1.00 0.00 N ATOM 1543 CA PRO A 104 -10.078 21.765 19.429 1.00 0.00 C ATOM 1544 C PRO A 104 -9.215 20.748 18.689 1.00 0.00 C ATOM 1545 O PRO A 104 -8.209 20.273 19.215 1.00 0.00 O ATOM 1546 CB PRO A 104 -10.713 21.126 20.667 1.00 0.00 C ATOM 1547 CG PRO A 104 -12.063 20.686 20.215 1.00 0.00 C ATOM 1548 CD PRO A 104 -12.503 21.690 19.186 1.00 0.00 C ATOM 0 HA PRO A 104 -9.408 22.595 19.656 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.121 20.284 21.025 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.783 21.839 21.489 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.024 19.683 19.790 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.762 20.652 21.050 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.119 21.230 18.413 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.095 22.489 19.632 1.00 0.00 H new ATOM 1556 N ASP A 105 -9.615 20.420 17.465 1.00 0.00 N ATOM 1557 CA ASP A 105 -8.877 19.461 16.651 1.00 0.00 C ATOM 1558 C ASP A 105 -9.000 19.798 15.169 1.00 0.00 C ATOM 1559 O ASP A 105 -9.770 20.678 14.784 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.388 18.042 16.908 1.00 0.00 C ATOM 1561 CG ASP A 105 -10.703 17.764 16.206 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -11.758 18.170 16.738 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -10.677 17.142 15.124 1.00 0.00 O ATOM 0 H ASP A 105 -10.446 20.804 17.015 1.00 0.00 H new ATOM 0 HA ASP A 105 -7.825 19.517 16.932 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.641 17.323 16.571 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.513 17.893 17.980 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.236 19.093 14.342 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.258 19.318 12.901 1.00 0.00 C ATOM 1570 C ASP A 106 -9.649 19.056 12.332 1.00 0.00 C ATOM 1571 O ASP A 106 -10.555 18.629 13.049 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.233 18.421 12.207 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.148 17.044 12.836 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.184 16.346 12.878 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.047 16.663 13.285 1.00 0.00 O ATOM 0 H ASP A 106 -7.594 18.361 14.645 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.000 20.361 12.717 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.496 18.321 11.154 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.253 18.896 12.246 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.813 19.316 11.039 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.093 19.108 10.373 1.00 0.00 C ATOM 1582 C VAL A 107 -10.896 18.618 8.943 1.00 0.00 C ATOM 1583 O VAL A 107 -10.082 19.161 8.197 1.00 0.00 O ATOM 1584 CB VAL A 107 -11.930 20.401 10.350 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.108 20.258 9.398 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.407 20.751 11.752 1.00 0.00 C ATOM 0 H VAL A 107 -9.075 19.671 10.431 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.627 18.348 10.944 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.300 21.215 9.991 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.688 21.181 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -12.740 20.057 8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.741 19.433 9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.997 21.667 11.718 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.021 19.939 12.141 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.545 20.898 12.403 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.648 17.588 8.567 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.555 17.025 7.226 1.00 0.00 C ATOM 1598 C GLU A 108 -11.851 18.085 6.168 1.00 0.00 C ATOM 1599 O GLU A 108 -12.981 18.558 6.047 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.526 15.852 7.072 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.271 15.008 5.834 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.292 13.901 5.663 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -13.821 13.418 6.686 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.563 13.516 4.506 1.00 0.00 O ATOM 0 H GLU A 108 -12.328 17.127 9.172 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.536 16.666 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.457 15.216 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.545 16.237 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.285 15.649 4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.274 14.572 5.895 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.826 18.454 5.407 1.00 0.00 N ATOM 1612 CA PHE A 109 -10.975 19.459 4.361 1.00 0.00 C ATOM 1613 C PHE A 109 -11.101 18.803 2.989 1.00 0.00 C ATOM 1614 O PHE A 109 -12.050 19.062 2.249 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.782 20.418 4.373 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.824 21.440 3.272 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.573 22.597 3.412 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.113 21.243 2.099 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.613 23.538 2.401 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.150 22.181 1.085 1.00 0.00 C ATOM 1621 CZ PHE A 109 -9.900 23.331 1.236 1.00 0.00 C ATOM 0 H PHE A 109 -9.884 18.073 5.495 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.887 20.021 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.748 20.932 5.334 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.861 19.841 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.132 22.765 4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.523 20.346 1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.202 24.435 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.593 22.015 0.175 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.929 24.066 0.446 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.136 17.952 2.657 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.137 17.256 1.375 1.00 0.00 C ATOM 1633 C LYS A 110 -10.036 15.748 1.575 1.00 0.00 C ATOM 1634 O LYS A 110 -9.606 15.279 2.629 1.00 0.00 O ATOM 1635 CB LYS A 110 -8.976 17.745 0.506 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.274 17.708 -0.983 1.00 0.00 C ATOM 1637 CD LYS A 110 -10.253 18.798 -1.383 1.00 0.00 C ATOM 1638 CE LYS A 110 -9.533 20.083 -1.763 1.00 0.00 C ATOM 1639 NZ LYS A 110 -10.438 21.264 -1.709 1.00 0.00 N ATOM 0 H LYS A 110 -9.343 17.727 3.258 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.078 17.475 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.724 18.766 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.098 17.131 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.347 17.827 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.684 16.734 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.856 18.456 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -10.938 18.994 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.691 20.240 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.123 19.986 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.273 21.866 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.427 20.943 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.247 21.809 -0.844 1.00 0.00 H new ATOM 1653 N SER A 111 -10.434 14.992 0.556 1.00 0.00 N ATOM 1654 CA SER A 111 -10.390 13.536 0.621 1.00 0.00 C ATOM 1655 C SER A 111 -9.851 12.950 -0.680 1.00 0.00 C ATOM 1656 O SER A 111 -10.282 13.327 -1.769 1.00 0.00 O ATOM 1657 CB SER A 111 -11.784 12.975 0.907 1.00 0.00 C ATOM 1658 OG SER A 111 -11.760 11.560 0.976 1.00 0.00 O ATOM 0 H SER A 111 -10.790 15.364 -0.324 1.00 0.00 H new ATOM 0 HA SER A 111 -9.719 13.253 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.157 13.382 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.475 13.292 0.126 1.00 0.00 H new ATOM 0 HG SER A 111 -12.663 11.226 1.161 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.904 12.025 -0.558 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.321 11.401 -1.731 1.00 0.00 C ATOM 1666 C GLY A 112 -9.314 10.537 -2.483 1.00 0.00 C ATOM 1667 O GLY A 112 -10.228 9.968 -1.887 1.00 0.00 O ATOM 0 H GLY A 112 -8.530 11.697 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.939 12.174 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.470 10.791 -1.429 1.00 0.00 H new ATOM 1671 N ALA A 113 -9.135 10.438 -3.796 1.00 0.00 N ATOM 1672 CA ALA A 113 -10.022 9.637 -4.630 1.00 0.00 C ATOM 1673 C ALA A 113 -10.226 8.247 -4.037 1.00 0.00 C ATOM 1674 O ALA A 113 -11.349 7.749 -3.968 1.00 0.00 O ATOM 1675 CB ALA A 113 -9.469 9.534 -6.043 1.00 0.00 C ATOM 0 H ALA A 113 -8.383 10.903 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.992 10.134 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -10.142 8.933 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -9.382 10.532 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -8.486 9.063 -6.016 1.00 0.00 H new ATOM 1681 N GLY A 114 -9.131 7.624 -3.610 1.00 0.00 N ATOM 1682 CA GLY A 114 -9.212 6.297 -3.030 1.00 0.00 C ATOM 1683 C GLY A 114 -8.347 5.290 -3.762 1.00 0.00 C ATOM 1684 O GLY A 114 -8.794 4.651 -4.715 1.00 0.00 O ATOM 0 H GLY A 114 -8.190 8.015 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.907 6.342 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.248 5.960 -3.045 1.00 0.00 H new ATOM 1688 N THR A 115 -7.101 5.149 -3.319 1.00 0.00 N ATOM 1689 CA THR A 115 -6.170 4.215 -3.940 1.00 0.00 C ATOM 1690 C THR A 115 -6.524 2.773 -3.594 1.00 0.00 C ATOM 1691 O THR A 115 -6.334 2.333 -2.460 1.00 0.00 O ATOM 1692 CB THR A 115 -4.720 4.495 -3.503 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.394 5.869 -3.738 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.746 3.602 -4.257 1.00 0.00 C ATOM 0 H THR A 115 -6.714 5.670 -2.532 1.00 0.00 H new ATOM 0 HA THR A 115 -6.251 4.357 -5.018 1.00 0.00 H new ATOM 0 HB THR A 115 -4.637 4.279 -2.438 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.147 5.990 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.728 3.818 -3.932 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.978 2.557 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.833 3.791 -5.327 1.00 0.00 H new ATOM 1702 N GLU A 116 -7.039 2.043 -4.578 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.419 0.650 -4.375 1.00 0.00 C ATOM 1704 C GLU A 116 -6.186 -0.248 -4.318 1.00 0.00 C ATOM 1705 O GLU A 116 -5.336 -0.212 -5.209 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.351 0.184 -5.496 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.750 -1.278 -5.388 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.577 -1.746 -6.569 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -9.005 -1.912 -7.667 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -10.798 -1.946 -6.396 1.00 0.00 O ATOM 0 H GLU A 116 -7.203 2.392 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.944 0.579 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.251 0.799 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.861 0.348 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.852 -1.891 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.317 -1.429 -4.470 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.095 -1.052 -3.265 1.00 0.00 N ATOM 1718 CA LEU A 117 -4.966 -1.959 -3.090 1.00 0.00 C ATOM 1719 C LEU A 117 -5.328 -3.371 -3.540 1.00 0.00 C ATOM 1720 O LEU A 117 -6.364 -3.911 -3.154 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.523 -1.977 -1.626 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.335 -2.880 -1.295 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.037 -2.256 -1.783 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.269 -3.149 0.201 1.00 0.00 C ATOM 0 H LEU A 117 -6.789 -1.095 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.143 -1.599 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.273 -0.958 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.371 -2.287 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.473 -3.831 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.203 -2.913 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.084 -2.116 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.893 -1.291 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.417 -3.794 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.156 -2.206 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.187 -3.641 0.523 1.00 0.00 H new ATOM 1736 N SER A 118 -4.465 -3.964 -4.359 1.00 0.00 N ATOM 1737 CA SER A 118 -4.693 -5.313 -4.864 1.00 0.00 C ATOM 1738 C SER A 118 -3.689 -6.294 -4.267 1.00 0.00 C ATOM 1739 O SER A 118 -2.638 -6.557 -4.851 1.00 0.00 O ATOM 1740 CB SER A 118 -4.597 -5.332 -6.391 1.00 0.00 C ATOM 1741 OG SER A 118 -4.939 -6.606 -6.908 1.00 0.00 O ATOM 0 H SER A 118 -3.601 -3.531 -4.687 1.00 0.00 H new ATOM 0 HA SER A 118 -5.695 -5.621 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.261 -4.576 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.584 -5.072 -6.698 1.00 0.00 H new ATOM 0 HG SER A 118 -4.871 -6.591 -7.886 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.021 -6.833 -3.098 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.150 -7.786 -2.421 1.00 0.00 C ATOM 1749 C VAL A 119 -3.082 -9.106 -3.182 1.00 0.00 C ATOM 1750 O VAL A 119 -4.053 -9.861 -3.224 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.628 -8.060 -0.983 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -2.726 -9.080 -0.305 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -3.681 -6.767 -0.184 1.00 0.00 C ATOM 0 H VAL A 119 -4.887 -6.626 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.157 -7.338 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.635 -8.475 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.080 -9.261 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.745 -10.013 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.706 -8.698 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.021 -6.979 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.687 -6.321 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.373 -6.073 -0.661 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.928 -9.376 -3.784 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.733 -10.605 -4.545 1.00 0.00 C ATOM 1765 C ARG A 120 -1.386 -11.768 -3.620 1.00 0.00 C ATOM 1766 O ARG A 120 -0.374 -11.737 -2.920 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.625 -10.416 -5.583 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.008 -9.482 -6.719 1.00 0.00 C ATOM 1769 CD ARG A 120 -1.658 -10.239 -7.867 1.00 0.00 C ATOM 1770 NE ARG A 120 -2.600 -9.405 -8.609 1.00 0.00 N ATOM 1771 CZ ARG A 120 -3.241 -9.812 -9.699 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -3.042 -11.035 -10.172 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -4.083 -8.995 -10.319 1.00 0.00 N ATOM 0 H ARG A 120 -1.115 -8.761 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.666 -10.838 -5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.263 -10.026 -5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.357 -11.388 -5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -1.694 -8.720 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -0.120 -8.963 -7.080 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -0.886 -10.604 -8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -2.178 -11.114 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 120 -2.775 -8.458 -8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.395 -11.666 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.536 -11.345 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -4.239 -8.054 -9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.575 -9.308 -11.156 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.232 -12.792 -3.623 1.00 0.00 N ATOM 1788 CA ALA A 121 -2.014 -13.965 -2.786 1.00 0.00 C ATOM 1789 C ALA A 121 -0.553 -14.400 -2.820 1.00 0.00 C ATOM 1790 O ALA A 121 0.123 -14.264 -3.840 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.917 -15.106 -3.232 1.00 0.00 C ATOM 0 H ALA A 121 -3.075 -12.833 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.263 -13.699 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.744 -15.976 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.959 -14.799 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.695 -15.362 -4.268 1.00 0.00 H new ATOM 1797 N LYS A 122 -0.070 -14.924 -1.698 1.00 0.00 N ATOM 1798 CA LYS A 122 1.311 -15.379 -1.598 1.00 0.00 C ATOM 1799 C LYS A 122 1.749 -16.074 -2.884 1.00 0.00 C ATOM 1800 O LYS A 122 0.972 -16.772 -3.536 1.00 0.00 O ATOM 1801 CB LYS A 122 1.471 -16.332 -0.411 1.00 0.00 C ATOM 1802 CG LYS A 122 0.980 -17.741 -0.692 1.00 0.00 C ATOM 1803 CD LYS A 122 1.280 -18.677 0.468 1.00 0.00 C ATOM 1804 CE LYS A 122 0.328 -18.445 1.631 1.00 0.00 C ATOM 1805 NZ LYS A 122 0.944 -18.819 2.934 1.00 0.00 N ATOM 0 H LYS A 122 -0.616 -15.044 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 122 1.945 -14.506 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.523 -16.373 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 122 0.926 -15.930 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.094 -17.723 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.454 -18.119 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.201 -19.711 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.307 -18.528 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.034 -17.396 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.581 -19.027 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.264 -18.646 3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.202 -19.826 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.797 -18.246 3.092 1.00 0.00 H new