USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 60 SER OG : rot 44:sc= -0.814! USER MOD Set 1.2: A 62 MET CE :methyl -120:sc= -3.08! (180deg=-6!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 174:sc= 0.905! (180deg=0.244) USER MOD Set 2.2: A 71 TYR OH : rot -49:sc= -0.137 USER MOD Single : A 36 ASN : amide:sc= -0.138 K(o=-0.14,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= -0.69 (180deg=-0.81) USER MOD Single : A 42 HIS : no HE2:sc= -16.5! C(o=-17!,f=-17!) USER MOD Single : A 45 CYS SG : rot -32:sc= -7.06! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-3.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -144:sc= -15! (180deg=-22.9!) USER MOD Single : A 55 MET CE :methyl -166:sc= -8.24! (180deg=-8.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.9!) USER MOD Single : A 70 GLN : amide:sc= -4.91! K(o=-4.9!,f=-0.79) USER MOD Single : A 72 SER OG : rot 166:sc= -6.62! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -107:sc= -3.25! (180deg=-4.47!) USER MOD Single : A 95 GLN : amide:sc= -5.37! C(o=-5.4!,f=-9!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 106 MET CE :methyl 156:sc= -0.163 (180deg=-1.44) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -89:sc= -0.331 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -13.8! C(o=-14!,f=-20!) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 84.102 -16.228 0.106 1.00 0.00 N ATOM 86 CA ASN A 36 84.215 -15.852 1.545 1.00 0.00 C ATOM 87 C ASN A 36 84.923 -14.502 1.685 1.00 0.00 C ATOM 88 O ASN A 36 85.359 -14.130 2.754 1.00 0.00 O ATOM 89 CB ASN A 36 85.054 -16.959 2.177 1.00 0.00 C ATOM 90 CG ASN A 36 84.512 -17.281 3.571 1.00 0.00 C ATOM 91 OD1 ASN A 36 83.749 -16.518 4.130 1.00 0.00 O ATOM 92 ND2 ASN A 36 84.874 -18.388 4.159 1.00 0.00 N ATOM 0 HA ASN A 36 83.240 -15.753 2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 36 85.029 -17.851 1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 36 86.096 -16.646 2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 36 84.517 -18.613 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 36 85.514 -19.029 3.690 1.00 0.00 H new ATOM 99 N ALA A 37 85.033 -13.767 0.614 1.00 0.00 N ATOM 100 CA ALA A 37 85.705 -12.436 0.671 1.00 0.00 C ATOM 101 C ALA A 37 85.069 -11.542 -0.385 1.00 0.00 C ATOM 102 O ALA A 37 84.586 -12.033 -1.370 1.00 0.00 O ATOM 103 CB ALA A 37 87.174 -12.709 0.344 1.00 0.00 C ATOM 0 H ALA A 37 84.684 -14.032 -0.307 1.00 0.00 H new ATOM 0 HA ALA A 37 85.611 -11.942 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.732 -11.773 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.589 -13.397 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.249 -13.152 -0.649 1.00 0.00 H new ATOM 109 N VAL A 38 85.028 -10.251 -0.178 1.00 0.00 N ATOM 110 CA VAL A 38 84.376 -9.350 -1.187 1.00 0.00 C ATOM 111 C VAL A 38 85.022 -7.966 -1.180 1.00 0.00 C ATOM 112 O VAL A 38 85.520 -7.526 -0.162 1.00 0.00 O ATOM 113 CB VAL A 38 82.915 -9.264 -0.746 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.399 -10.666 -0.415 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.807 -8.376 0.496 1.00 0.00 C ATOM 0 H VAL A 38 85.414 -9.780 0.640 1.00 0.00 H new ATOM 0 HA VAL A 38 84.480 -9.731 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 38 82.318 -8.837 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.357 -10.605 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.475 -11.300 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.997 -11.093 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.765 -8.315 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.404 -8.803 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.175 -7.377 0.262 1.00 0.00 H new ATOM 125 N LYS A 39 85.033 -7.251 -2.289 1.00 0.00 N ATOM 126 CA LYS A 39 85.667 -5.909 -2.239 1.00 0.00 C ATOM 127 C LYS A 39 84.621 -4.879 -1.819 1.00 0.00 C ATOM 128 O LYS A 39 83.858 -4.382 -2.620 1.00 0.00 O ATOM 129 CB LYS A 39 86.119 -5.642 -3.662 1.00 0.00 C ATOM 130 CG LYS A 39 87.035 -4.419 -3.686 1.00 0.00 C ATOM 131 CD LYS A 39 88.161 -4.625 -2.672 1.00 0.00 C ATOM 132 CE LYS A 39 89.501 -4.252 -3.313 1.00 0.00 C ATOM 133 NZ LYS A 39 89.651 -2.792 -3.062 1.00 0.00 N ATOM 0 H LYS A 39 84.644 -7.534 -3.188 1.00 0.00 H new ATOM 0 HA LYS A 39 86.494 -5.855 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.645 -6.511 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.254 -5.474 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.448 -4.277 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.469 -3.519 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.985 -4.012 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 39 88.181 -5.663 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 39 90.322 -4.816 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.503 -4.472 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.522 -2.449 -3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 88.833 -2.286 -3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 89.703 -2.619 -2.038 1.00 0.00 H new ATOM 147 N VAL A 40 84.564 -4.582 -0.551 1.00 0.00 N ATOM 148 CA VAL A 40 83.542 -3.620 -0.054 1.00 0.00 C ATOM 149 C VAL A 40 84.109 -2.206 0.116 1.00 0.00 C ATOM 150 O VAL A 40 85.252 -2.010 0.477 1.00 0.00 O ATOM 151 CB VAL A 40 83.115 -4.183 1.301 1.00 0.00 C ATOM 152 CG1 VAL A 40 84.218 -3.930 2.331 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.825 -3.497 1.755 1.00 0.00 C ATOM 0 H VAL A 40 85.183 -4.965 0.164 1.00 0.00 H new ATOM 0 HA VAL A 40 82.717 -3.522 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 40 82.943 -5.256 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.913 -4.332 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 40 85.137 -4.420 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 40 84.391 -2.858 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 40 81.520 -3.898 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 40 81.996 -2.424 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 40 81.039 -3.679 1.022 1.00 0.00 H new ATOM 163 N ARG A 41 83.281 -1.228 -0.122 1.00 0.00 N ATOM 164 CA ARG A 41 83.686 0.199 0.037 1.00 0.00 C ATOM 165 C ARG A 41 82.713 0.838 1.028 1.00 0.00 C ATOM 166 O ARG A 41 81.588 0.400 1.136 1.00 0.00 O ATOM 167 CB ARG A 41 83.536 0.821 -1.352 1.00 0.00 C ATOM 168 CG ARG A 41 84.065 -0.153 -2.410 1.00 0.00 C ATOM 169 CD ARG A 41 84.460 0.620 -3.670 1.00 0.00 C ATOM 170 NE ARG A 41 85.368 -0.303 -4.412 1.00 0.00 N ATOM 171 CZ ARG A 41 86.038 0.129 -5.445 1.00 0.00 C ATOM 172 NH1 ARG A 41 85.409 0.651 -6.462 1.00 0.00 N ATOM 173 NH2 ARG A 41 87.341 0.037 -5.463 1.00 0.00 N ATOM 0 H ARG A 41 82.317 -1.360 -0.428 1.00 0.00 H new ATOM 0 HA ARG A 41 84.702 0.332 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.489 1.052 -1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 41 84.085 1.761 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 41 84.926 -0.696 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.302 -0.894 -2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 41 83.585 0.879 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 41 84.963 1.554 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 41 85.465 -1.273 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.392 0.722 -6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 41 85.935 0.988 -7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 41 87.834 -0.372 -4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 41 87.865 0.375 -6.270 1.00 0.00 H new ATOM 187 N HIS A 42 83.106 1.825 1.788 1.00 0.00 N ATOM 188 CA HIS A 42 82.117 2.368 2.768 1.00 0.00 C ATOM 189 C HIS A 42 82.052 3.903 2.793 1.00 0.00 C ATOM 190 O HIS A 42 83.047 4.589 2.923 1.00 0.00 O ATOM 191 CB HIS A 42 82.572 1.815 4.118 1.00 0.00 C ATOM 192 CG HIS A 42 83.732 2.612 4.646 1.00 0.00 C ATOM 193 ND1 HIS A 42 83.843 2.939 5.986 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.846 3.136 4.037 1.00 0.00 C ATOM 195 CE1 HIS A 42 84.985 3.628 6.142 1.00 0.00 C ATOM 196 NE2 HIS A 42 85.637 3.778 4.986 1.00 0.00 N ATOM 0 H HIS A 42 84.027 2.264 1.779 1.00 0.00 H new ATOM 0 HA HIS A 42 81.105 2.066 2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.746 1.848 4.829 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.859 0.769 4.012 1.00 0.00 H new ATOM 0 HD1 HIS A 42 83.178 2.700 6.722 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.073 3.061 2.984 1.00 0.00 H new ATOM 0 HE1 HIS A 42 85.334 4.014 7.088 1.00 0.00 H new ATOM 204 N ILE A 43 80.853 4.429 2.701 1.00 0.00 N ATOM 205 CA ILE A 43 80.644 5.909 2.753 1.00 0.00 C ATOM 206 C ILE A 43 79.706 6.227 3.931 1.00 0.00 C ATOM 207 O ILE A 43 78.547 5.866 3.924 1.00 0.00 O ATOM 208 CB ILE A 43 80.006 6.280 1.391 1.00 0.00 C ATOM 209 CG1 ILE A 43 80.902 7.283 0.666 1.00 0.00 C ATOM 210 CG2 ILE A 43 78.622 6.912 1.574 1.00 0.00 C ATOM 211 CD1 ILE A 43 80.187 7.801 -0.584 1.00 0.00 C ATOM 0 H ILE A 43 79.998 3.885 2.590 1.00 0.00 H new ATOM 0 HA ILE A 43 81.562 6.475 2.908 1.00 0.00 H new ATOM 0 HB ILE A 43 79.901 5.363 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 43 81.145 8.114 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.844 6.810 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 43 78.203 7.160 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 43 77.964 6.207 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 43 78.712 7.819 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 43 80.828 8.516 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 43 79.966 6.966 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 79.257 8.290 -0.295 1.00 0.00 H new ATOM 223 N LEU A 44 80.191 6.885 4.943 1.00 0.00 N ATOM 224 CA LEU A 44 79.322 7.205 6.103 1.00 0.00 C ATOM 225 C LEU A 44 79.115 8.712 6.151 1.00 0.00 C ATOM 226 O LEU A 44 79.947 9.483 5.728 1.00 0.00 O ATOM 227 CB LEU A 44 80.088 6.591 7.294 1.00 0.00 C ATOM 228 CG LEU A 44 80.292 7.488 8.538 1.00 0.00 C ATOM 229 CD1 LEU A 44 79.204 8.518 8.802 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.227 6.564 9.725 1.00 0.00 C ATOM 0 H LEU A 44 81.153 7.215 5.016 1.00 0.00 H new ATOM 0 HA LEU A 44 78.310 6.802 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.559 5.691 7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 44 81.069 6.276 6.939 1.00 0.00 H new ATOM 0 HG LEU A 44 81.224 8.029 8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 44 79.452 9.088 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 79.129 9.194 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 44 78.250 8.011 8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.365 7.138 10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.256 6.070 9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.014 5.814 9.646 1.00 0.00 H new ATOM 242 N CYS A 45 78.001 9.137 6.659 1.00 0.00 N ATOM 243 CA CYS A 45 77.736 10.600 6.728 1.00 0.00 C ATOM 244 C CYS A 45 77.434 11.033 8.165 1.00 0.00 C ATOM 245 O CYS A 45 77.731 12.143 8.560 1.00 0.00 O ATOM 246 CB CYS A 45 76.521 10.822 5.832 1.00 0.00 C ATOM 247 SG CYS A 45 76.871 10.159 4.186 1.00 0.00 S ATOM 0 H CYS A 45 77.261 8.540 7.030 1.00 0.00 H new ATOM 0 HA CYS A 45 78.597 11.186 6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.646 10.331 6.257 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.290 11.885 5.768 1.00 0.00 H new ATOM 0 HG CYS A 45 78.140 10.280 3.930 1.00 0.00 H new ATOM 253 N GLU A 46 76.835 10.177 8.947 1.00 0.00 N ATOM 254 CA GLU A 46 76.501 10.552 10.355 1.00 0.00 C ATOM 255 C GLU A 46 75.365 11.576 10.353 1.00 0.00 C ATOM 256 O GLU A 46 74.335 11.381 10.966 1.00 0.00 O ATOM 257 CB GLU A 46 77.780 11.161 10.933 1.00 0.00 C ATOM 258 CG GLU A 46 77.786 10.985 12.453 1.00 0.00 C ATOM 259 CD GLU A 46 78.943 11.785 13.055 1.00 0.00 C ATOM 260 OE1 GLU A 46 79.986 11.846 12.424 1.00 0.00 O ATOM 261 OE2 GLU A 46 78.767 12.323 14.136 1.00 0.00 O ATOM 0 H GLU A 46 76.561 9.233 8.674 1.00 0.00 H new ATOM 0 HA GLU A 46 76.170 9.698 10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.655 10.679 10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 46 77.839 12.219 10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 46 76.839 11.324 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 77.888 9.930 12.707 1.00 0.00 H new ATOM 268 N LYS A 47 75.542 12.660 9.650 1.00 0.00 N ATOM 269 CA LYS A 47 74.472 13.692 9.585 1.00 0.00 C ATOM 270 C LYS A 47 73.504 13.342 8.455 1.00 0.00 C ATOM 271 O LYS A 47 72.399 13.841 8.391 1.00 0.00 O ATOM 272 CB LYS A 47 75.197 15.004 9.280 1.00 0.00 C ATOM 273 CG LYS A 47 76.252 15.265 10.355 1.00 0.00 C ATOM 274 CD LYS A 47 76.593 16.757 10.379 1.00 0.00 C ATOM 275 CE LYS A 47 78.111 16.931 10.464 1.00 0.00 C ATOM 276 NZ LYS A 47 78.308 18.315 10.981 1.00 0.00 N ATOM 0 H LYS A 47 76.384 12.875 9.117 1.00 0.00 H new ATOM 0 HA LYS A 47 73.895 13.759 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.668 14.952 8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.483 15.827 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 47 75.880 14.950 11.330 1.00 0.00 H new ATOM 0 HG3 LYS A 47 77.148 14.679 10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 47 76.210 17.243 9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 47 76.113 17.237 11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.557 16.193 11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.579 16.803 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.326 18.512 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.879 18.996 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.857 18.404 11.914 1.00 0.00 H new ATOM 290 N HIS A 48 73.920 12.482 7.565 1.00 0.00 N ATOM 291 CA HIS A 48 73.039 12.079 6.432 1.00 0.00 C ATOM 292 C HIS A 48 72.746 13.281 5.532 1.00 0.00 C ATOM 293 O HIS A 48 71.915 13.220 4.648 1.00 0.00 O ATOM 294 CB HIS A 48 71.766 11.556 7.092 1.00 0.00 C ATOM 295 CG HIS A 48 72.147 10.589 8.182 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.423 10.057 8.276 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.438 10.054 9.228 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.445 9.241 9.346 1.00 0.00 C ATOM 299 NE2 HIS A 48 72.260 9.202 9.963 1.00 0.00 N ATOM 0 H HIS A 48 74.839 12.039 7.575 1.00 0.00 H new ATOM 0 HA HIS A 48 73.498 11.325 5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.188 12.383 7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.133 11.063 6.354 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.401 10.262 9.448 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.314 8.686 9.667 1.00 0.00 H new ATOM 0 HE2 HIS A 48 72.011 8.664 10.793 1.00 0.00 H new ATOM 307 N GLY A 49 73.433 14.370 5.741 1.00 0.00 N ATOM 308 CA GLY A 49 73.206 15.570 4.887 1.00 0.00 C ATOM 309 C GLY A 49 73.804 15.313 3.501 1.00 0.00 C ATOM 310 O GLY A 49 73.379 15.878 2.514 1.00 0.00 O ATOM 0 H GLY A 49 74.142 14.481 6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.139 15.778 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.667 16.448 5.340 1.00 0.00 H new ATOM 314 N LYS A 50 74.785 14.452 3.422 1.00 0.00 N ATOM 315 CA LYS A 50 75.413 14.144 2.104 1.00 0.00 C ATOM 316 C LYS A 50 75.169 12.683 1.740 1.00 0.00 C ATOM 317 O LYS A 50 75.393 12.274 0.621 1.00 0.00 O ATOM 318 CB LYS A 50 76.906 14.424 2.288 1.00 0.00 C ATOM 319 CG LYS A 50 77.471 13.514 3.380 1.00 0.00 C ATOM 320 CD LYS A 50 77.525 14.280 4.704 1.00 0.00 C ATOM 321 CE LYS A 50 78.982 14.427 5.151 1.00 0.00 C ATOM 322 NZ LYS A 50 79.330 15.845 4.854 1.00 0.00 N ATOM 0 H LYS A 50 75.179 13.948 4.216 1.00 0.00 H new ATOM 0 HA LYS A 50 74.996 14.745 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.436 14.255 1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 50 77.059 15.469 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.848 12.626 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.469 13.173 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 50 77.069 15.263 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.952 13.752 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.094 14.206 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.633 13.739 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 80.316 16.026 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 79.220 16.024 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.698 16.476 5.387 1.00 0.00 H new ATOM 336 N ILE A 51 74.689 11.896 2.661 1.00 0.00 N ATOM 337 CA ILE A 51 74.417 10.477 2.322 1.00 0.00 C ATOM 338 C ILE A 51 73.649 10.435 1.005 1.00 0.00 C ATOM 339 O ILE A 51 73.798 9.525 0.216 1.00 0.00 O ATOM 340 CB ILE A 51 73.569 9.934 3.473 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.498 8.409 3.375 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.157 10.513 3.390 1.00 0.00 C ATOM 343 CD1 ILE A 51 74.886 7.819 3.624 1.00 0.00 C ATOM 0 H ILE A 51 74.476 12.171 3.620 1.00 0.00 H new ATOM 0 HA ILE A 51 75.323 9.883 2.200 1.00 0.00 H new ATOM 0 HB ILE A 51 74.022 10.221 4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 51 72.789 8.019 4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.136 8.113 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.555 10.124 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.205 11.600 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 51 71.702 10.229 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.837 6.732 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.582 8.199 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.229 8.104 4.618 1.00 0.00 H new ATOM 355 N MET A 52 72.849 11.437 0.748 1.00 0.00 N ATOM 356 CA MET A 52 72.099 11.469 -0.533 1.00 0.00 C ATOM 357 C MET A 52 72.967 12.143 -1.594 1.00 0.00 C ATOM 358 O MET A 52 72.977 11.755 -2.745 1.00 0.00 O ATOM 359 CB MET A 52 70.798 12.234 -0.230 1.00 0.00 C ATOM 360 CG MET A 52 70.848 13.646 -0.812 1.00 0.00 C ATOM 361 SD MET A 52 70.308 13.609 -2.540 1.00 0.00 S ATOM 362 CE MET A 52 71.819 14.293 -3.265 1.00 0.00 C ATOM 0 H MET A 52 72.686 12.229 1.370 1.00 0.00 H new ATOM 0 HA MET A 52 71.853 10.482 -0.926 1.00 0.00 H new ATOM 0 HB2 MET A 52 69.948 11.694 -0.648 1.00 0.00 H new ATOM 0 HB3 MET A 52 70.644 12.286 0.848 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.207 14.312 -0.234 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.861 14.042 -0.745 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.561 14.931 -4.110 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.349 14.880 -2.515 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.459 13.480 -3.607 1.00 0.00 H new ATOM 372 N GLU A 53 73.744 13.108 -1.200 1.00 0.00 N ATOM 373 CA GLU A 53 74.658 13.749 -2.168 1.00 0.00 C ATOM 374 C GLU A 53 75.633 12.674 -2.584 1.00 0.00 C ATOM 375 O GLU A 53 76.120 12.641 -3.696 1.00 0.00 O ATOM 376 CB GLU A 53 75.359 14.874 -1.412 1.00 0.00 C ATOM 377 CG GLU A 53 75.316 16.144 -2.260 1.00 0.00 C ATOM 378 CD GLU A 53 76.228 17.203 -1.641 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.692 16.984 -0.534 1.00 0.00 O ATOM 380 OE2 GLU A 53 76.448 18.217 -2.284 1.00 0.00 O ATOM 0 H GLU A 53 73.783 13.478 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 53 74.168 14.161 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.870 15.045 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.392 14.598 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 53 75.636 15.924 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.294 16.519 -2.320 1.00 0.00 H new ATOM 387 N ALA A 54 75.877 11.754 -1.690 1.00 0.00 N ATOM 388 CA ALA A 54 76.779 10.628 -2.027 1.00 0.00 C ATOM 389 C ALA A 54 76.041 9.750 -3.026 1.00 0.00 C ATOM 390 O ALA A 54 76.628 9.142 -3.902 1.00 0.00 O ATOM 391 CB ALA A 54 77.018 9.886 -0.711 1.00 0.00 C ATOM 0 H ALA A 54 75.490 11.738 -0.746 1.00 0.00 H new ATOM 0 HA ALA A 54 77.729 10.934 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 54 77.679 9.038 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.478 10.562 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.067 9.529 -0.317 1.00 0.00 H new ATOM 397 N MET A 55 74.740 9.713 -2.914 1.00 0.00 N ATOM 398 CA MET A 55 73.931 8.909 -3.871 1.00 0.00 C ATOM 399 C MET A 55 73.908 9.621 -5.224 1.00 0.00 C ATOM 400 O MET A 55 74.111 9.020 -6.260 1.00 0.00 O ATOM 401 CB MET A 55 72.525 8.861 -3.274 1.00 0.00 C ATOM 402 CG MET A 55 72.562 8.146 -1.924 1.00 0.00 C ATOM 403 SD MET A 55 71.294 6.853 -1.897 1.00 0.00 S ATOM 404 CE MET A 55 71.262 6.594 -0.107 1.00 0.00 C ATOM 0 H MET A 55 74.204 10.206 -2.200 1.00 0.00 H new ATOM 0 HA MET A 55 74.334 7.908 -4.024 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.138 9.872 -3.150 1.00 0.00 H new ATOM 0 HB3 MET A 55 71.849 8.341 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.547 7.709 -1.758 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.389 8.858 -1.117 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.731 5.669 0.117 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.283 6.526 0.269 1.00 0.00 H new ATOM 0 HE3 MET A 55 70.753 7.430 0.373 1.00 0.00 H new ATOM 414 N GLU A 56 73.668 10.905 -5.213 1.00 0.00 N ATOM 415 CA GLU A 56 73.635 11.672 -6.490 1.00 0.00 C ATOM 416 C GLU A 56 75.050 11.805 -7.058 1.00 0.00 C ATOM 417 O GLU A 56 75.325 11.370 -8.158 1.00 0.00 O ATOM 418 CB GLU A 56 73.074 13.045 -6.117 1.00 0.00 C ATOM 419 CG GLU A 56 71.569 12.932 -5.872 1.00 0.00 C ATOM 420 CD GLU A 56 70.862 12.593 -7.186 1.00 0.00 C ATOM 421 OE1 GLU A 56 70.593 13.510 -7.945 1.00 0.00 O ATOM 422 OE2 GLU A 56 70.600 11.423 -7.409 1.00 0.00 O ATOM 0 H GLU A 56 73.493 11.456 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 56 73.030 11.181 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.571 13.422 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.270 13.759 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.368 12.160 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 71.184 13.869 -5.471 1.00 0.00 H new ATOM 429 N LYS A 57 75.950 12.396 -6.314 1.00 0.00 N ATOM 430 CA LYS A 57 77.347 12.547 -6.817 1.00 0.00 C ATOM 431 C LYS A 57 77.786 11.252 -7.500 1.00 0.00 C ATOM 432 O LYS A 57 77.892 11.178 -8.708 1.00 0.00 O ATOM 433 CB LYS A 57 78.201 12.810 -5.574 1.00 0.00 C ATOM 434 CG LYS A 57 78.088 14.282 -5.167 1.00 0.00 C ATOM 435 CD LYS A 57 79.487 14.836 -4.877 1.00 0.00 C ATOM 436 CE LYS A 57 79.495 16.352 -5.088 1.00 0.00 C ATOM 437 NZ LYS A 57 80.238 16.900 -3.920 1.00 0.00 N ATOM 0 H LYS A 57 75.778 12.779 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 57 77.441 13.353 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.873 12.171 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.242 12.559 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.615 14.856 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.455 14.380 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.777 14.600 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.219 14.364 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.983 16.617 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 57 78.481 16.750 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.374 17.924 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.695 16.726 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.165 16.434 -3.848 1.00 0.00 H new ATOM 451 N LEU A 58 78.031 10.224 -6.735 1.00 0.00 N ATOM 452 CA LEU A 58 78.451 8.929 -7.341 1.00 0.00 C ATOM 453 C LEU A 58 77.585 8.615 -8.569 1.00 0.00 C ATOM 454 O LEU A 58 78.030 7.992 -9.512 1.00 0.00 O ATOM 455 CB LEU A 58 78.216 7.888 -6.245 1.00 0.00 C ATOM 456 CG LEU A 58 79.476 7.750 -5.388 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.542 8.901 -4.382 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.436 6.419 -4.634 1.00 0.00 C ATOM 0 H LEU A 58 77.959 10.225 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 58 79.488 8.946 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.372 8.185 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.961 6.927 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 58 80.355 7.780 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.440 8.801 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.570 9.850 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.662 8.873 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.333 6.320 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.555 6.391 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.391 5.597 -5.349 1.00 0.00 H new ATOM 470 N LYS A 59 76.347 9.040 -8.559 1.00 0.00 N ATOM 471 CA LYS A 59 75.448 8.764 -9.721 1.00 0.00 C ATOM 472 C LYS A 59 75.705 9.766 -10.849 1.00 0.00 C ATOM 473 O LYS A 59 76.309 9.442 -11.852 1.00 0.00 O ATOM 474 CB LYS A 59 74.029 8.932 -9.174 1.00 0.00 C ATOM 475 CG LYS A 59 73.509 7.579 -8.688 1.00 0.00 C ATOM 476 CD LYS A 59 72.188 7.252 -9.392 1.00 0.00 C ATOM 477 CE LYS A 59 72.429 7.125 -10.898 1.00 0.00 C ATOM 478 NZ LYS A 59 71.076 6.889 -11.479 1.00 0.00 N ATOM 0 H LYS A 59 75.920 9.566 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 59 75.614 7.770 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.026 9.651 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.373 9.329 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.244 6.801 -8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.361 7.602 -7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 59 71.775 6.323 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 59 71.455 8.035 -9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 59 72.882 8.029 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 59 73.106 6.301 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 71.154 6.791 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 70.673 6.018 -11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 70.456 7.693 -11.254 1.00 0.00 H new ATOM 492 N SER A 60 75.245 10.980 -10.692 1.00 0.00 N ATOM 493 CA SER A 60 75.454 12.012 -11.753 1.00 0.00 C ATOM 494 C SER A 60 76.852 11.873 -12.363 1.00 0.00 C ATOM 495 O SER A 60 77.073 12.203 -13.512 1.00 0.00 O ATOM 496 CB SER A 60 75.317 13.360 -11.039 1.00 0.00 C ATOM 497 OG SER A 60 75.192 13.153 -9.639 1.00 0.00 O ATOM 0 H SER A 60 74.732 11.303 -9.872 1.00 0.00 H new ATOM 0 HA SER A 60 74.738 11.908 -12.568 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.187 13.982 -11.247 1.00 0.00 H new ATOM 0 HB3 SER A 60 74.445 13.895 -11.416 1.00 0.00 H new ATOM 0 HG SER A 60 75.840 12.477 -9.349 1.00 0.00 H new ATOM 503 N GLY A 61 77.794 11.383 -11.607 1.00 0.00 N ATOM 504 CA GLY A 61 79.171 11.220 -12.148 1.00 0.00 C ATOM 505 C GLY A 61 80.089 12.275 -11.531 1.00 0.00 C ATOM 506 O GLY A 61 81.067 12.685 -12.126 1.00 0.00 O ATOM 0 H GLY A 61 77.670 11.089 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.545 10.221 -11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.161 11.321 -13.233 1.00 0.00 H new ATOM 510 N MET A 62 79.788 12.717 -10.339 1.00 0.00 N ATOM 511 CA MET A 62 80.654 13.740 -9.689 1.00 0.00 C ATOM 512 C MET A 62 81.984 13.108 -9.285 1.00 0.00 C ATOM 513 O MET A 62 82.502 12.244 -9.964 1.00 0.00 O ATOM 514 CB MET A 62 79.875 14.193 -8.454 1.00 0.00 C ATOM 515 CG MET A 62 79.935 15.718 -8.352 1.00 0.00 C ATOM 516 SD MET A 62 78.325 16.373 -7.832 1.00 0.00 S ATOM 517 CE MET A 62 77.297 15.508 -9.047 1.00 0.00 C ATOM 0 H MET A 62 78.983 12.415 -9.790 1.00 0.00 H new ATOM 0 HA MET A 62 80.883 14.576 -10.350 1.00 0.00 H new ATOM 0 HB2 MET A 62 78.839 13.862 -8.521 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.297 13.740 -7.557 1.00 0.00 H new ATOM 0 HG2 MET A 62 80.704 16.012 -7.638 1.00 0.00 H new ATOM 0 HG3 MET A 62 80.215 16.144 -9.315 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.766 16.237 -9.659 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.929 14.891 -9.685 1.00 0.00 H new ATOM 0 HE3 MET A 62 76.576 14.875 -8.529 1.00 0.00 H new ATOM 527 N ARG A 63 82.540 13.528 -8.188 1.00 0.00 N ATOM 528 CA ARG A 63 83.834 12.946 -7.747 1.00 0.00 C ATOM 529 C ARG A 63 83.614 11.605 -7.063 1.00 0.00 C ATOM 530 O ARG A 63 82.822 11.489 -6.153 1.00 0.00 O ATOM 531 CB ARG A 63 84.391 13.930 -6.729 1.00 0.00 C ATOM 532 CG ARG A 63 84.632 15.281 -7.382 1.00 0.00 C ATOM 533 CD ARG A 63 84.298 16.380 -6.370 1.00 0.00 C ATOM 534 NE ARG A 63 85.466 17.305 -6.406 1.00 0.00 N ATOM 535 CZ ARG A 63 85.279 18.595 -6.322 1.00 0.00 C ATOM 536 NH1 ARG A 63 84.335 19.165 -7.019 1.00 0.00 N ATOM 537 NH2 ARG A 63 86.038 19.315 -5.541 1.00 0.00 N ATOM 0 H ARG A 63 82.155 14.249 -7.577 1.00 0.00 H new ATOM 0 HA ARG A 63 84.502 12.784 -8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.694 14.039 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.323 13.547 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 63 85.670 15.366 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.013 15.386 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.377 16.897 -6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.152 15.967 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 63 86.411 16.931 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.742 18.603 -7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.190 20.172 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.777 18.870 -4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.892 20.322 -5.475 1.00 0.00 H new ATOM 551 N PHE A 64 84.329 10.599 -7.465 1.00 0.00 N ATOM 552 CA PHE A 64 84.178 9.284 -6.797 1.00 0.00 C ATOM 553 C PHE A 64 85.172 9.212 -5.636 1.00 0.00 C ATOM 554 O PHE A 64 84.932 8.572 -4.631 1.00 0.00 O ATOM 555 CB PHE A 64 84.515 8.247 -7.870 1.00 0.00 C ATOM 556 CG PHE A 64 83.315 7.363 -8.112 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.599 6.843 -7.028 1.00 0.00 C ATOM 558 CD2 PHE A 64 82.919 7.062 -9.422 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.487 6.023 -7.252 1.00 0.00 C ATOM 560 CE2 PHE A 64 81.806 6.243 -9.646 1.00 0.00 C ATOM 561 CZ PHE A 64 81.090 5.723 -8.562 1.00 0.00 C ATOM 0 H PHE A 64 85.009 10.629 -8.224 1.00 0.00 H new ATOM 0 HA PHE A 64 83.179 9.118 -6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 64 84.804 8.746 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 64 85.366 7.644 -7.553 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.904 7.074 -6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.472 7.462 -10.259 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.935 5.621 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 64 81.500 6.012 -10.656 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.232 5.091 -8.735 1.00 0.00 H new ATOM 571 N ASN A 65 86.291 9.878 -5.774 1.00 0.00 N ATOM 572 CA ASN A 65 87.312 9.866 -4.689 1.00 0.00 C ATOM 573 C ASN A 65 87.083 11.021 -3.708 1.00 0.00 C ATOM 574 O ASN A 65 87.316 10.890 -2.522 1.00 0.00 O ATOM 575 CB ASN A 65 88.652 10.025 -5.406 1.00 0.00 C ATOM 576 CG ASN A 65 89.607 8.918 -4.956 1.00 0.00 C ATOM 577 OD1 ASN A 65 89.177 7.858 -4.545 1.00 0.00 O ATOM 578 ND2 ASN A 65 90.894 9.120 -5.020 1.00 0.00 N ATOM 0 H ASN A 65 86.540 10.430 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 65 87.267 8.950 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.507 9.978 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 65 89.081 11.002 -5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 65 91.540 8.388 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 65 91.254 10.010 -5.365 1.00 0.00 H new ATOM 585 N GLU A 66 86.628 12.150 -4.185 1.00 0.00 N ATOM 586 CA GLU A 66 86.392 13.292 -3.257 1.00 0.00 C ATOM 587 C GLU A 66 85.220 12.943 -2.354 1.00 0.00 C ATOM 588 O GLU A 66 85.311 13.012 -1.145 1.00 0.00 O ATOM 589 CB GLU A 66 86.055 14.494 -4.140 1.00 0.00 C ATOM 590 CG GLU A 66 87.111 14.639 -5.237 1.00 0.00 C ATOM 591 CD GLU A 66 88.150 15.678 -4.809 1.00 0.00 C ATOM 592 OE1 GLU A 66 87.761 16.806 -4.554 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.317 15.327 -4.741 1.00 0.00 O ATOM 0 H GLU A 66 86.412 12.329 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 66 87.256 13.509 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.069 14.365 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.016 15.401 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.594 13.680 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 86.640 14.943 -6.172 1.00 0.00 H new ATOM 600 N VAL A 67 84.123 12.538 -2.928 1.00 0.00 N ATOM 601 CA VAL A 67 82.971 12.159 -2.084 1.00 0.00 C ATOM 602 C VAL A 67 83.405 10.998 -1.183 1.00 0.00 C ATOM 603 O VAL A 67 83.231 11.026 0.019 1.00 0.00 O ATOM 604 CB VAL A 67 81.870 11.708 -3.050 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.512 12.837 -4.012 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.357 10.512 -3.848 1.00 0.00 C ATOM 0 H VAL A 67 83.980 12.455 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 67 82.617 12.975 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 67 80.986 11.437 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.729 12.501 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.157 13.698 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.394 13.119 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.575 10.190 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 67 83.246 10.790 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.601 9.696 -3.168 1.00 0.00 H new ATOM 616 N ALA A 68 84.012 9.987 -1.752 1.00 0.00 N ATOM 617 CA ALA A 68 84.477 8.851 -0.921 1.00 0.00 C ATOM 618 C ALA A 68 85.347 9.407 0.187 1.00 0.00 C ATOM 619 O ALA A 68 85.415 8.876 1.275 1.00 0.00 O ATOM 620 CB ALA A 68 85.283 7.958 -1.865 1.00 0.00 C ATOM 0 H ALA A 68 84.202 9.905 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 68 83.666 8.286 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.659 7.095 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.643 7.619 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.122 8.523 -2.272 1.00 0.00 H new ATOM 626 N ALA A 69 86.001 10.496 -0.081 1.00 0.00 N ATOM 627 CA ALA A 69 86.852 11.109 0.957 1.00 0.00 C ATOM 628 C ALA A 69 85.971 11.624 2.094 1.00 0.00 C ATOM 629 O ALA A 69 85.977 11.084 3.182 1.00 0.00 O ATOM 630 CB ALA A 69 87.577 12.262 0.261 1.00 0.00 C ATOM 0 H ALA A 69 85.981 10.986 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 69 87.561 10.404 1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 69 88.230 12.765 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 69 88.173 11.872 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.845 12.972 -0.125 1.00 0.00 H new ATOM 636 N GLN A 70 85.226 12.677 1.869 1.00 0.00 N ATOM 637 CA GLN A 70 84.382 13.208 2.962 1.00 0.00 C ATOM 638 C GLN A 70 82.976 12.624 3.000 1.00 0.00 C ATOM 639 O GLN A 70 82.485 12.278 4.048 1.00 0.00 O ATOM 640 CB GLN A 70 84.316 14.697 2.749 1.00 0.00 C ATOM 641 CG GLN A 70 84.831 15.339 4.025 1.00 0.00 C ATOM 642 CD GLN A 70 83.832 15.063 5.165 1.00 0.00 C ATOM 643 OE1 GLN A 70 83.065 15.934 5.525 1.00 0.00 O ATOM 644 NE2 GLN A 70 83.798 13.883 5.755 1.00 0.00 N ATOM 0 H GLN A 70 85.171 13.181 0.984 1.00 0.00 H new ATOM 0 HA GLN A 70 84.826 12.932 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.923 14.994 1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.294 15.014 2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.812 14.937 4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.953 16.413 3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 70 84.438 13.146 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 70 83.131 13.708 6.507 1.00 0.00 H new ATOM 653 N TYR A 71 82.296 12.551 1.894 1.00 0.00 N ATOM 654 CA TYR A 71 80.909 12.015 1.943 1.00 0.00 C ATOM 655 C TYR A 71 80.915 10.730 2.770 1.00 0.00 C ATOM 656 O TYR A 71 79.947 10.384 3.419 1.00 0.00 O ATOM 657 CB TYR A 71 80.487 11.781 0.491 1.00 0.00 C ATOM 658 CG TYR A 71 80.105 13.107 -0.136 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.718 14.303 0.282 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.126 13.142 -1.135 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.346 15.520 -0.300 1.00 0.00 C ATOM 662 CE2 TYR A 71 78.755 14.361 -1.713 1.00 0.00 C ATOM 663 CZ TYR A 71 79.366 15.550 -1.296 1.00 0.00 C ATOM 664 OH TYR A 71 78.995 16.752 -1.861 1.00 0.00 O ATOM 0 H TYR A 71 82.631 12.833 0.973 1.00 0.00 H new ATOM 0 HA TYR A 71 80.200 12.695 2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.303 11.322 -0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.645 11.090 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.475 14.281 1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.656 12.226 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.817 16.437 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 71 77.997 14.385 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 71 78.810 17.403 -1.152 1.00 0.00 H new ATOM 674 N SER A 72 82.018 10.033 2.764 1.00 0.00 N ATOM 675 CA SER A 72 82.121 8.782 3.561 1.00 0.00 C ATOM 676 C SER A 72 82.346 9.108 5.048 1.00 0.00 C ATOM 677 O SER A 72 82.346 8.228 5.883 1.00 0.00 O ATOM 678 CB SER A 72 83.345 8.066 2.999 1.00 0.00 C ATOM 679 OG SER A 72 83.185 7.859 1.606 1.00 0.00 O ATOM 0 H SER A 72 82.856 10.279 2.238 1.00 0.00 H new ATOM 0 HA SER A 72 81.214 8.180 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 72 84.241 8.657 3.187 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.482 7.110 3.504 1.00 0.00 H new ATOM 0 HG SER A 72 84.047 7.612 1.211 1.00 0.00 H new ATOM 685 N GLU A 73 82.522 10.367 5.371 1.00 0.00 N ATOM 686 CA GLU A 73 82.744 10.797 6.785 1.00 0.00 C ATOM 687 C GLU A 73 83.405 9.688 7.599 1.00 0.00 C ATOM 688 O GLU A 73 82.943 9.327 8.663 1.00 0.00 O ATOM 689 CB GLU A 73 81.350 11.101 7.317 1.00 0.00 C ATOM 690 CG GLU A 73 81.412 12.335 8.217 1.00 0.00 C ATOM 691 CD GLU A 73 81.642 11.903 9.666 1.00 0.00 C ATOM 692 OE1 GLU A 73 81.157 10.846 10.033 1.00 0.00 O ATOM 693 OE2 GLU A 73 82.301 12.636 10.385 1.00 0.00 O ATOM 0 H GLU A 73 82.521 11.131 4.696 1.00 0.00 H new ATOM 0 HA GLU A 73 83.410 11.657 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.662 11.274 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 73 80.967 10.247 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 73 82.216 12.995 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 73 80.484 12.901 8.139 1.00 0.00 H new ATOM 700 N ASP A 74 84.480 9.144 7.103 1.00 0.00 N ATOM 701 CA ASP A 74 85.168 8.047 7.847 1.00 0.00 C ATOM 702 C ASP A 74 86.428 7.591 7.095 1.00 0.00 C ATOM 703 O ASP A 74 87.180 8.398 6.586 1.00 0.00 O ATOM 704 CB ASP A 74 84.127 6.922 7.919 1.00 0.00 C ATOM 705 CG ASP A 74 83.918 6.314 6.530 1.00 0.00 C ATOM 706 OD1 ASP A 74 84.530 6.795 5.590 1.00 0.00 O ATOM 707 OD2 ASP A 74 83.139 5.380 6.429 1.00 0.00 O ATOM 0 H ASP A 74 84.913 9.408 6.218 1.00 0.00 H new ATOM 0 HA ASP A 74 85.504 8.358 8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 74 84.459 6.152 8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 74 83.183 7.312 8.300 1.00 0.00 H new ATOM 712 N LYS A 75 86.664 6.306 7.020 1.00 0.00 N ATOM 713 CA LYS A 75 87.879 5.810 6.300 1.00 0.00 C ATOM 714 C LYS A 75 87.752 6.071 4.797 1.00 0.00 C ATOM 715 O LYS A 75 88.676 5.848 4.040 1.00 0.00 O ATOM 716 CB LYS A 75 87.931 4.308 6.577 1.00 0.00 C ATOM 717 CG LYS A 75 89.289 3.947 7.179 1.00 0.00 C ATOM 718 CD LYS A 75 89.285 4.275 8.673 1.00 0.00 C ATOM 719 CE LYS A 75 89.544 3.000 9.477 1.00 0.00 C ATOM 720 NZ LYS A 75 90.632 3.364 10.428 1.00 0.00 N ATOM 0 H LYS A 75 86.072 5.580 7.424 1.00 0.00 H new ATOM 0 HA LYS A 75 88.784 6.316 6.636 1.00 0.00 H new ATOM 0 HB2 LYS A 75 87.131 4.026 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 75 87.771 3.751 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 75 89.496 2.887 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 75 90.081 4.501 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 75 90.050 5.019 8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 75 88.327 4.709 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 75 88.648 2.677 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 75 89.845 2.177 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 90.868 2.540 11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 91.474 3.661 9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 90.314 4.145 11.037 1.00 0.00 H new ATOM 799 N ASP A 81 88.036 2.207 -0.020 1.00 0.00 N ATOM 800 CA ASP A 81 87.720 0.763 -0.244 1.00 0.00 C ATOM 801 C ASP A 81 88.334 -0.112 0.853 1.00 0.00 C ATOM 802 O ASP A 81 89.487 -0.492 0.779 1.00 0.00 O ATOM 803 CB ASP A 81 88.332 0.428 -1.603 1.00 0.00 C ATOM 804 CG ASP A 81 87.658 -0.824 -2.166 1.00 0.00 C ATOM 805 OD1 ASP A 81 86.911 -1.451 -1.433 1.00 0.00 O ATOM 806 OD2 ASP A 81 87.900 -1.134 -3.321 1.00 0.00 O ATOM 0 HA ASP A 81 86.646 0.577 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 81 88.202 1.265 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.405 0.263 -1.501 1.00 0.00 H new ATOM 811 N LEU A 82 87.575 -0.438 1.869 1.00 0.00 N ATOM 812 CA LEU A 82 88.114 -1.288 2.967 1.00 0.00 C ATOM 813 C LEU A 82 89.012 -2.391 2.396 1.00 0.00 C ATOM 814 O LEU A 82 89.924 -2.861 3.047 1.00 0.00 O ATOM 815 CB LEU A 82 86.876 -1.896 3.637 1.00 0.00 C ATOM 816 CG LEU A 82 85.964 -0.800 4.224 1.00 0.00 C ATOM 817 CD1 LEU A 82 86.749 0.494 4.485 1.00 0.00 C ATOM 818 CD2 LEU A 82 84.819 -0.513 3.250 1.00 0.00 C ATOM 0 H LEU A 82 86.603 -0.150 1.983 1.00 0.00 H new ATOM 0 HA LEU A 82 88.723 -0.719 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.318 -2.486 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.186 -2.578 4.429 1.00 0.00 H new ATOM 0 HG LEU A 82 85.567 -1.158 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 82 86.080 1.248 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 82 87.553 0.295 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 82 87.172 0.858 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 82 84.174 0.262 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 82 85.227 -0.174 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 82 84.239 -1.422 3.093 1.00 0.00 H new ATOM 830 N GLY A 83 88.763 -2.804 1.183 1.00 0.00 N ATOM 831 CA GLY A 83 89.605 -3.869 0.571 1.00 0.00 C ATOM 832 C GLY A 83 88.947 -5.232 0.788 1.00 0.00 C ATOM 833 O GLY A 83 87.862 -5.332 1.326 1.00 0.00 O ATOM 0 H GLY A 83 88.013 -2.449 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.730 -3.680 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.600 -3.860 1.015 1.00 0.00 H new ATOM 837 N TRP A 84 89.598 -6.283 0.373 1.00 0.00 N ATOM 838 CA TRP A 84 89.015 -7.642 0.552 1.00 0.00 C ATOM 839 C TRP A 84 88.623 -7.863 2.016 1.00 0.00 C ATOM 840 O TRP A 84 89.346 -7.503 2.924 1.00 0.00 O ATOM 841 CB TRP A 84 90.133 -8.602 0.140 1.00 0.00 C ATOM 842 CG TRP A 84 90.064 -8.842 -1.329 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.946 -8.361 -2.223 1.00 0.00 C ATOM 844 CD2 TRP A 84 89.084 -9.609 -2.086 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.572 -8.773 -3.490 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.429 -9.548 -3.457 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.941 -10.340 -1.722 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.667 -10.192 -4.433 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.172 -10.988 -2.701 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.533 -10.916 -4.052 1.00 0.00 C ATOM 0 H TRP A 84 90.510 -6.259 -0.083 1.00 0.00 H new ATOM 0 HA TRP A 84 88.111 -7.789 -0.039 1.00 0.00 H new ATOM 0 HB2 TRP A 84 91.103 -8.183 0.406 1.00 0.00 H new ATOM 0 HB3 TRP A 84 90.035 -9.545 0.678 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.807 -7.752 -1.990 1.00 0.00 H new ATOM 0 HE1 TRP A 84 91.078 -8.534 -4.343 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.652 -10.404 -0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.951 -10.132 -5.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.295 -11.547 -2.410 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.936 -11.419 -4.799 1.00 0.00 H new ATOM 861 N MET A 85 87.484 -8.454 2.249 1.00 0.00 N ATOM 862 CA MET A 85 87.045 -8.701 3.653 1.00 0.00 C ATOM 863 C MET A 85 86.336 -10.053 3.738 1.00 0.00 C ATOM 864 O MET A 85 85.463 -10.355 2.950 1.00 0.00 O ATOM 865 CB MET A 85 86.073 -7.566 3.976 1.00 0.00 C ATOM 866 CG MET A 85 86.855 -6.271 4.210 1.00 0.00 C ATOM 867 SD MET A 85 86.464 -5.618 5.853 1.00 0.00 S ATOM 868 CE MET A 85 88.137 -5.081 6.290 1.00 0.00 C ATOM 0 H MET A 85 86.838 -8.777 1.529 1.00 0.00 H new ATOM 0 HA MET A 85 87.880 -8.726 4.353 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.367 -7.433 3.156 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.489 -7.815 4.862 1.00 0.00 H new ATOM 0 HG2 MET A 85 87.925 -6.460 4.127 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.601 -5.537 3.445 1.00 0.00 H new ATOM 0 HE1 MET A 85 88.129 -4.638 7.286 1.00 0.00 H new ATOM 0 HE2 MET A 85 88.809 -5.939 6.280 1.00 0.00 H new ATOM 0 HE3 MET A 85 88.482 -4.342 5.567 1.00 0.00 H new ATOM 878 N THR A 86 86.706 -10.873 4.681 1.00 0.00 N ATOM 879 CA THR A 86 86.051 -12.204 4.798 1.00 0.00 C ATOM 880 C THR A 86 85.152 -12.258 6.032 1.00 0.00 C ATOM 881 O THR A 86 85.401 -11.604 7.025 1.00 0.00 O ATOM 882 CB THR A 86 87.198 -13.203 4.922 1.00 0.00 C ATOM 883 OG1 THR A 86 88.244 -12.633 5.696 1.00 0.00 O ATOM 884 CG2 THR A 86 87.719 -13.551 3.531 1.00 0.00 C ATOM 0 H THR A 86 87.430 -10.680 5.373 1.00 0.00 H new ATOM 0 HA THR A 86 85.413 -12.420 3.941 1.00 0.00 H new ATOM 0 HB THR A 86 86.841 -14.109 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.979 -13.276 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.538 -14.265 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 86 86.915 -13.991 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 86 88.076 -12.646 3.039 1.00 0.00 H new ATOM 892 N ARG A 87 84.110 -13.036 5.974 1.00 0.00 N ATOM 893 CA ARG A 87 83.190 -13.136 7.142 1.00 0.00 C ATOM 894 C ARG A 87 83.991 -13.391 8.420 1.00 0.00 C ATOM 895 O ARG A 87 85.187 -13.603 8.381 1.00 0.00 O ATOM 896 CB ARG A 87 82.272 -14.320 6.832 1.00 0.00 C ATOM 897 CG ARG A 87 80.828 -13.942 7.169 1.00 0.00 C ATOM 898 CD ARG A 87 79.877 -14.624 6.184 1.00 0.00 C ATOM 899 NE ARG A 87 79.586 -15.953 6.792 1.00 0.00 N ATOM 900 CZ ARG A 87 78.436 -16.531 6.578 1.00 0.00 C ATOM 901 NH1 ARG A 87 77.930 -16.554 5.375 1.00 0.00 N ATOM 902 NH2 ARG A 87 77.791 -17.087 7.567 1.00 0.00 N ATOM 0 H ARG A 87 83.854 -13.608 5.169 1.00 0.00 H new ATOM 0 HA ARG A 87 82.622 -12.219 7.300 1.00 0.00 H new ATOM 0 HB2 ARG A 87 82.353 -14.592 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.576 -15.192 7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.590 -14.245 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.704 -12.860 7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 87 78.965 -14.043 6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.336 -14.731 5.201 1.00 0.00 H new ATOM 0 HE ARG A 87 80.286 -16.411 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 87 78.434 -16.120 4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 87 77.031 -17.006 5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 87 78.186 -17.070 8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 87 76.892 -17.539 7.400 1.00 0.00 H new ATOM 916 N GLY A 88 83.346 -13.366 9.553 1.00 0.00 N ATOM 917 CA GLY A 88 84.078 -13.600 10.830 1.00 0.00 C ATOM 918 C GLY A 88 84.611 -12.264 11.351 1.00 0.00 C ATOM 919 O GLY A 88 84.565 -11.984 12.532 1.00 0.00 O ATOM 0 H GLY A 88 82.345 -13.194 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 88 83.415 -14.054 11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 88 84.901 -14.297 10.670 1.00 0.00 H new ATOM 923 N SER A 89 85.112 -11.437 10.475 1.00 0.00 N ATOM 924 CA SER A 89 85.644 -10.115 10.913 1.00 0.00 C ATOM 925 C SER A 89 84.609 -9.021 10.635 1.00 0.00 C ATOM 926 O SER A 89 83.422 -9.223 10.803 1.00 0.00 O ATOM 927 CB SER A 89 86.899 -9.895 10.069 1.00 0.00 C ATOM 928 OG SER A 89 87.843 -9.141 10.814 1.00 0.00 O ATOM 0 H SER A 89 85.176 -11.620 9.474 1.00 0.00 H new ATOM 0 HA SER A 89 85.864 -10.085 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.329 -10.854 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 89 86.644 -9.371 9.148 1.00 0.00 H new ATOM 0 HG SER A 89 88.649 -9.001 10.274 1.00 0.00 H new ATOM 934 N MET A 90 85.046 -7.867 10.209 1.00 0.00 N ATOM 935 CA MET A 90 84.079 -6.768 9.920 1.00 0.00 C ATOM 936 C MET A 90 83.022 -6.696 11.025 1.00 0.00 C ATOM 937 O MET A 90 83.302 -6.943 12.181 1.00 0.00 O ATOM 938 CB MET A 90 83.436 -7.150 8.587 1.00 0.00 C ATOM 939 CG MET A 90 83.295 -5.905 7.711 1.00 0.00 C ATOM 940 SD MET A 90 82.114 -6.236 6.378 1.00 0.00 S ATOM 941 CE MET A 90 83.191 -7.289 5.374 1.00 0.00 C ATOM 0 H MET A 90 86.027 -7.637 10.049 1.00 0.00 H new ATOM 0 HA MET A 90 84.561 -5.791 9.875 1.00 0.00 H new ATOM 0 HB2 MET A 90 84.045 -7.898 8.079 1.00 0.00 H new ATOM 0 HB3 MET A 90 82.458 -7.599 8.759 1.00 0.00 H new ATOM 0 HG2 MET A 90 82.955 -5.061 8.311 1.00 0.00 H new ATOM 0 HG3 MET A 90 84.263 -5.629 7.293 1.00 0.00 H new ATOM 0 HE1 MET A 90 83.511 -6.742 4.487 1.00 0.00 H new ATOM 0 HE2 MET A 90 84.065 -7.577 5.958 1.00 0.00 H new ATOM 0 HE3 MET A 90 82.646 -8.183 5.071 1.00 0.00 H new ATOM 951 N VAL A 91 81.807 -6.367 10.679 1.00 0.00 N ATOM 952 CA VAL A 91 80.735 -6.289 11.715 1.00 0.00 C ATOM 953 C VAL A 91 79.562 -7.192 11.322 1.00 0.00 C ATOM 954 O VAL A 91 79.292 -7.404 10.156 1.00 0.00 O ATOM 955 CB VAL A 91 80.297 -4.820 11.751 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.630 -4.525 13.097 1.00 0.00 C ATOM 957 CG2 VAL A 91 81.512 -3.906 11.579 1.00 0.00 C ATOM 0 H VAL A 91 81.510 -6.149 9.728 1.00 0.00 H new ATOM 0 HA VAL A 91 81.086 -6.622 12.692 1.00 0.00 H new ATOM 0 HB VAL A 91 79.593 -4.636 10.939 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.317 -3.481 13.127 1.00 0.00 H new ATOM 0 HG12 VAL A 91 78.759 -5.169 13.220 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.338 -4.715 13.903 1.00 0.00 H new ATOM 0 HG21 VAL A 91 81.191 -2.865 11.606 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.221 -4.088 12.386 1.00 0.00 H new ATOM 0 HG23 VAL A 91 81.991 -4.113 10.622 1.00 0.00 H new ATOM 967 N GLY A 92 78.868 -7.728 12.286 1.00 0.00 N ATOM 968 CA GLY A 92 77.716 -8.622 11.975 1.00 0.00 C ATOM 969 C GLY A 92 76.802 -7.966 10.932 1.00 0.00 C ATOM 970 O GLY A 92 76.540 -8.544 9.896 1.00 0.00 O ATOM 0 H GLY A 92 79.049 -7.586 13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.080 -9.579 11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.152 -8.830 12.884 1.00 0.00 H new ATOM 974 N PRO A 93 76.328 -6.781 11.240 1.00 0.00 N ATOM 975 CA PRO A 93 75.421 -6.060 10.316 1.00 0.00 C ATOM 976 C PRO A 93 76.100 -5.784 8.969 1.00 0.00 C ATOM 977 O PRO A 93 75.552 -6.074 7.924 1.00 0.00 O ATOM 978 CB PRO A 93 75.132 -4.760 11.072 1.00 0.00 C ATOM 979 CG PRO A 93 75.886 -4.790 12.416 1.00 0.00 C ATOM 980 CD PRO A 93 76.672 -6.104 12.516 1.00 0.00 C ATOM 0 HA PRO A 93 74.521 -6.623 10.068 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.449 -3.901 10.481 1.00 0.00 H new ATOM 0 HB3 PRO A 93 74.061 -4.652 11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.564 -3.939 12.487 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.183 -4.707 13.245 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.744 -5.930 12.607 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.370 -6.693 13.382 1.00 0.00 H new ATOM 988 N PHE A 94 77.280 -5.225 8.979 1.00 0.00 N ATOM 989 CA PHE A 94 77.973 -4.936 7.688 1.00 0.00 C ATOM 990 C PHE A 94 77.823 -6.124 6.733 1.00 0.00 C ATOM 991 O PHE A 94 77.217 -6.016 5.685 1.00 0.00 O ATOM 992 CB PHE A 94 79.443 -4.727 8.054 1.00 0.00 C ATOM 993 CG PHE A 94 79.955 -3.476 7.379 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.452 -3.540 6.072 1.00 0.00 C ATOM 995 CD2 PHE A 94 79.936 -2.254 8.063 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.929 -2.381 5.447 1.00 0.00 C ATOM 997 CE2 PHE A 94 80.412 -1.094 7.438 1.00 0.00 C ATOM 998 CZ PHE A 94 80.909 -1.158 6.130 1.00 0.00 C ATOM 0 H PHE A 94 77.793 -4.957 9.819 1.00 0.00 H new ATOM 0 HA PHE A 94 77.555 -4.064 7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.551 -4.640 9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 94 80.033 -5.589 7.743 1.00 0.00 H new ATOM 0 HD1 PHE A 94 80.468 -4.483 5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 94 79.554 -2.206 9.072 1.00 0.00 H new ATOM 0 HE1 PHE A 94 81.312 -2.430 4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 94 80.396 -0.151 7.964 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.277 -0.264 5.648 1.00 0.00 H new ATOM 1008 N GLN A 95 78.366 -7.256 7.087 1.00 0.00 N ATOM 1009 CA GLN A 95 78.248 -8.447 6.198 1.00 0.00 C ATOM 1010 C GLN A 95 76.776 -8.834 6.035 1.00 0.00 C ATOM 1011 O GLN A 95 76.325 -9.156 4.953 1.00 0.00 O ATOM 1012 CB GLN A 95 79.018 -9.554 6.916 1.00 0.00 C ATOM 1013 CG GLN A 95 80.455 -9.094 7.171 1.00 0.00 C ATOM 1014 CD GLN A 95 80.997 -9.783 8.424 1.00 0.00 C ATOM 1015 OE1 GLN A 95 81.353 -10.945 8.387 1.00 0.00 O ATOM 1016 NE2 GLN A 95 81.076 -9.113 9.540 1.00 0.00 N ATOM 0 H GLN A 95 78.885 -7.408 7.952 1.00 0.00 H new ATOM 0 HA GLN A 95 78.642 -8.261 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 95 78.530 -9.798 7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 95 79.017 -10.462 6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 95 81.082 -9.332 6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 95 80.485 -8.012 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 95 80.778 -8.138 9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 95 81.436 -9.564 10.381 1.00 0.00 H new ATOM 1025 N GLU A 96 76.026 -8.802 7.102 1.00 0.00 N ATOM 1026 CA GLU A 96 74.582 -9.164 7.013 1.00 0.00 C ATOM 1027 C GLU A 96 73.959 -8.547 5.758 1.00 0.00 C ATOM 1028 O GLU A 96 73.105 -9.134 5.123 1.00 0.00 O ATOM 1029 CB GLU A 96 73.949 -8.573 8.272 1.00 0.00 C ATOM 1030 CG GLU A 96 73.756 -9.675 9.314 1.00 0.00 C ATOM 1031 CD GLU A 96 72.981 -9.116 10.508 1.00 0.00 C ATOM 1032 OE1 GLU A 96 72.668 -7.937 10.487 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.712 -9.876 11.424 1.00 0.00 O ATOM 0 H GLU A 96 76.351 -8.541 8.033 1.00 0.00 H new ATOM 0 HA GLU A 96 74.429 -10.241 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.585 -7.785 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.990 -8.116 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.215 -10.514 8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.724 -10.055 9.641 1.00 0.00 H new ATOM 1040 N ALA A 97 74.382 -7.368 5.395 1.00 0.00 N ATOM 1041 CA ALA A 97 73.817 -6.712 4.182 1.00 0.00 C ATOM 1042 C ALA A 97 74.601 -7.132 2.937 1.00 0.00 C ATOM 1043 O ALA A 97 74.194 -8.007 2.202 1.00 0.00 O ATOM 1044 CB ALA A 97 73.975 -5.213 4.434 1.00 0.00 C ATOM 0 H ALA A 97 75.095 -6.830 5.886 1.00 0.00 H new ATOM 0 HA ALA A 97 72.777 -6.990 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.581 -4.657 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.426 -4.936 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 97 75.031 -4.975 4.565 1.00 0.00 H new ATOM 1050 N ALA A 98 75.720 -6.510 2.697 1.00 0.00 N ATOM 1051 CA ALA A 98 76.534 -6.863 1.497 1.00 0.00 C ATOM 1052 C ALA A 98 76.756 -8.378 1.421 1.00 0.00 C ATOM 1053 O ALA A 98 76.257 -9.042 0.535 1.00 0.00 O ATOM 1054 CB ALA A 98 77.865 -6.138 1.698 1.00 0.00 C ATOM 0 H ALA A 98 76.109 -5.770 3.281 1.00 0.00 H new ATOM 0 HA ALA A 98 76.042 -6.572 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.524 -6.347 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.688 -5.064 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.333 -6.485 2.619 1.00 0.00 H new ATOM 1060 N PHE A 99 77.510 -8.925 2.337 1.00 0.00 N ATOM 1061 CA PHE A 99 77.775 -10.395 2.315 1.00 0.00 C ATOM 1062 C PHE A 99 76.506 -11.168 1.946 1.00 0.00 C ATOM 1063 O PHE A 99 76.564 -12.222 1.343 1.00 0.00 O ATOM 1064 CB PHE A 99 78.216 -10.739 3.737 1.00 0.00 C ATOM 1065 CG PHE A 99 79.511 -11.514 3.687 1.00 0.00 C ATOM 1066 CD1 PHE A 99 79.519 -12.835 3.222 1.00 0.00 C ATOM 1067 CD2 PHE A 99 80.703 -10.912 4.105 1.00 0.00 C ATOM 1068 CE1 PHE A 99 80.720 -13.553 3.175 1.00 0.00 C ATOM 1069 CE2 PHE A 99 81.905 -11.629 4.059 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.912 -12.950 3.594 1.00 0.00 C ATOM 0 H PHE A 99 77.955 -8.417 3.101 1.00 0.00 H new ATOM 0 HA PHE A 99 78.529 -10.662 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.347 -9.827 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.446 -11.328 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 99 78.599 -13.300 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 99 80.696 -9.893 4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 99 80.727 -14.571 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 99 82.825 -11.164 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.838 -13.504 3.559 1.00 0.00 H new ATOM 1080 N ALA A 100 75.363 -10.656 2.303 1.00 0.00 N ATOM 1081 CA ALA A 100 74.092 -11.365 1.971 1.00 0.00 C ATOM 1082 C ALA A 100 73.479 -10.777 0.697 1.00 0.00 C ATOM 1083 O ALA A 100 72.716 -11.424 0.006 1.00 0.00 O ATOM 1084 CB ALA A 100 73.177 -11.118 3.170 1.00 0.00 C ATOM 0 H ALA A 100 75.251 -9.778 2.810 1.00 0.00 H new ATOM 0 HA ALA A 100 74.246 -12.429 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.218 -11.609 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.640 -11.522 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.020 -10.046 3.293 1.00 0.00 H new ATOM 1090 N LEU A 101 73.804 -9.553 0.385 1.00 0.00 N ATOM 1091 CA LEU A 101 73.243 -8.917 -0.839 1.00 0.00 C ATOM 1092 C LEU A 101 74.192 -9.121 -2.026 1.00 0.00 C ATOM 1093 O LEU A 101 75.302 -9.583 -1.853 1.00 0.00 O ATOM 1094 CB LEU A 101 73.129 -7.434 -0.489 1.00 0.00 C ATOM 1095 CG LEU A 101 71.711 -7.138 0.003 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.778 -6.427 1.355 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.996 -6.240 -1.010 1.00 0.00 C ATOM 0 H LEU A 101 74.436 -8.964 0.927 1.00 0.00 H new ATOM 0 HA LEU A 101 72.283 -9.345 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.855 -7.173 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 101 73.358 -6.824 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 101 71.162 -8.073 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 101 70.768 -6.216 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.287 -7.066 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 101 72.327 -5.492 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.986 -6.029 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 101 71.545 -5.305 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.947 -6.746 -1.974 1.00 0.00 H new ATOM 1109 N PRO A 102 73.725 -8.771 -3.199 1.00 0.00 N ATOM 1110 CA PRO A 102 74.545 -8.922 -4.424 1.00 0.00 C ATOM 1111 C PRO A 102 75.842 -8.113 -4.314 1.00 0.00 C ATOM 1112 O PRO A 102 76.291 -7.778 -3.236 1.00 0.00 O ATOM 1113 CB PRO A 102 73.631 -8.356 -5.515 1.00 0.00 C ATOM 1114 CG PRO A 102 72.308 -7.902 -4.867 1.00 0.00 C ATOM 1115 CD PRO A 102 72.361 -8.211 -3.365 1.00 0.00 C ATOM 0 HA PRO A 102 74.857 -9.949 -4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 102 74.114 -7.516 -6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.439 -9.112 -6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 102 72.156 -6.835 -5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.465 -8.417 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 102 72.214 -7.315 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.591 -8.924 -3.070 1.00 0.00 H new ATOM 1123 N VAL A 103 76.448 -7.806 -5.428 1.00 0.00 N ATOM 1124 CA VAL A 103 77.720 -7.026 -5.402 1.00 0.00 C ATOM 1125 C VAL A 103 77.436 -5.543 -5.678 1.00 0.00 C ATOM 1126 O VAL A 103 76.321 -5.163 -5.971 1.00 0.00 O ATOM 1127 CB VAL A 103 78.564 -7.651 -6.523 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.644 -6.670 -6.988 1.00 0.00 C ATOM 1129 CG2 VAL A 103 79.232 -8.927 -6.003 1.00 0.00 C ATOM 0 H VAL A 103 76.117 -8.062 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 103 78.227 -7.064 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 103 77.913 -7.887 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.234 -7.128 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 103 79.173 -5.761 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 103 80.295 -6.422 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.832 -9.373 -6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 103 79.874 -8.683 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 103 78.466 -9.635 -5.685 1.00 0.00 H new ATOM 1139 N SER A 104 78.441 -4.708 -5.580 1.00 0.00 N ATOM 1140 CA SER A 104 78.254 -3.246 -5.834 1.00 0.00 C ATOM 1141 C SER A 104 77.269 -2.634 -4.837 1.00 0.00 C ATOM 1142 O SER A 104 76.633 -3.325 -4.066 1.00 0.00 O ATOM 1143 CB SER A 104 77.702 -3.140 -7.258 1.00 0.00 C ATOM 1144 OG SER A 104 78.733 -3.445 -8.187 1.00 0.00 O ATOM 0 H SER A 104 79.392 -4.980 -5.332 1.00 0.00 H new ATOM 0 HA SER A 104 79.193 -2.704 -5.718 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.865 -3.827 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 104 77.320 -2.135 -7.438 1.00 0.00 H new ATOM 0 HG SER A 104 78.381 -3.379 -9.099 1.00 0.00 H new ATOM 1150 N GLY A 105 77.146 -1.334 -4.853 1.00 0.00 N ATOM 1151 CA GLY A 105 76.208 -0.652 -3.918 1.00 0.00 C ATOM 1152 C GLY A 105 75.844 0.721 -4.487 1.00 0.00 C ATOM 1153 O GLY A 105 75.116 0.823 -5.453 1.00 0.00 O ATOM 0 H GLY A 105 77.659 -0.712 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 105 75.309 -1.253 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 105 76.669 -0.542 -2.936 1.00 0.00 H new ATOM 1157 N MET A 106 76.348 1.777 -3.899 1.00 0.00 N ATOM 1158 CA MET A 106 76.033 3.144 -4.412 1.00 0.00 C ATOM 1159 C MET A 106 74.521 3.392 -4.368 1.00 0.00 C ATOM 1160 O MET A 106 74.020 4.080 -3.501 1.00 0.00 O ATOM 1161 CB MET A 106 76.549 3.153 -5.852 1.00 0.00 C ATOM 1162 CG MET A 106 76.371 4.548 -6.454 1.00 0.00 C ATOM 1163 SD MET A 106 77.356 4.684 -7.967 1.00 0.00 S ATOM 1164 CE MET A 106 76.673 3.240 -8.816 1.00 0.00 C ATOM 0 H MET A 106 76.964 1.751 -3.086 1.00 0.00 H new ATOM 0 HA MET A 106 76.494 3.930 -3.814 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.601 2.869 -5.873 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.008 2.418 -6.447 1.00 0.00 H new ATOM 0 HG2 MET A 106 75.319 4.729 -6.675 1.00 0.00 H new ATOM 0 HG3 MET A 106 76.681 5.308 -5.736 1.00 0.00 H new ATOM 0 HE1 MET A 106 76.800 3.357 -9.892 1.00 0.00 H new ATOM 0 HE2 MET A 106 77.195 2.342 -8.484 1.00 0.00 H new ATOM 0 HE3 MET A 106 75.612 3.149 -8.584 1.00 0.00 H new ATOM 1174 N ASP A 107 73.790 2.830 -5.291 1.00 0.00 N ATOM 1175 CA ASP A 107 72.312 3.023 -5.300 1.00 0.00 C ATOM 1176 C ASP A 107 71.691 2.234 -6.454 1.00 0.00 C ATOM 1177 O ASP A 107 70.604 1.703 -6.344 1.00 0.00 O ATOM 1178 CB ASP A 107 72.097 4.527 -5.490 1.00 0.00 C ATOM 1179 CG ASP A 107 73.032 5.051 -6.581 1.00 0.00 C ATOM 1180 OD1 ASP A 107 73.034 4.481 -7.659 1.00 0.00 O ATOM 1181 OD2 ASP A 107 73.731 6.017 -6.319 1.00 0.00 O ATOM 0 H ASP A 107 74.154 2.243 -6.042 1.00 0.00 H new ATOM 0 HA ASP A 107 71.844 2.668 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 107 71.060 4.724 -5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 107 72.286 5.052 -4.554 1.00 0.00 H new ATOM 1186 N LYS A 108 72.375 2.150 -7.561 1.00 0.00 N ATOM 1187 CA LYS A 108 71.826 1.393 -8.722 1.00 0.00 C ATOM 1188 C LYS A 108 72.045 -0.120 -8.527 1.00 0.00 C ATOM 1189 O LYS A 108 71.090 -0.868 -8.463 1.00 0.00 O ATOM 1190 CB LYS A 108 72.574 1.943 -9.947 1.00 0.00 C ATOM 1191 CG LYS A 108 72.756 0.847 -11.005 1.00 0.00 C ATOM 1192 CD LYS A 108 71.388 0.441 -11.562 1.00 0.00 C ATOM 1193 CE LYS A 108 71.357 0.690 -13.071 1.00 0.00 C ATOM 1194 NZ LYS A 108 70.143 1.525 -13.295 1.00 0.00 N ATOM 0 H LYS A 108 73.291 2.573 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 108 70.750 1.518 -8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.020 2.779 -10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 108 73.547 2.328 -9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 108 73.396 1.207 -11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 108 73.253 -0.018 -10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.196 -0.611 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 108 70.600 1.013 -11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 108 72.258 1.204 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 108 71.300 -0.247 -13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.051 1.739 -14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 69.301 1.007 -12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 70.229 2.413 -12.760 1.00 0.00 H new ATOM 1208 N PRO A 109 73.289 -0.535 -8.428 1.00 0.00 N ATOM 1209 CA PRO A 109 73.588 -1.973 -8.229 1.00 0.00 C ATOM 1210 C PRO A 109 72.922 -2.482 -6.948 1.00 0.00 C ATOM 1211 O PRO A 109 71.895 -1.977 -6.540 1.00 0.00 O ATOM 1212 CB PRO A 109 75.113 -1.987 -8.096 1.00 0.00 C ATOM 1213 CG PRO A 109 75.634 -0.543 -8.222 1.00 0.00 C ATOM 1214 CD PRO A 109 74.448 0.387 -8.507 1.00 0.00 C ATOM 0 HA PRO A 109 73.222 -2.613 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 109 75.404 -2.411 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 109 75.554 -2.616 -8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 109 76.138 -0.242 -7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 109 76.368 -0.475 -9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 109 74.378 1.191 -7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.527 0.856 -9.488 1.00 0.00 H new ATOM 1222 N VAL A 110 73.507 -3.471 -6.316 1.00 0.00 N ATOM 1223 CA VAL A 110 72.930 -4.030 -5.051 1.00 0.00 C ATOM 1224 C VAL A 110 71.397 -3.928 -5.050 1.00 0.00 C ATOM 1225 O VAL A 110 70.761 -4.040 -6.080 1.00 0.00 O ATOM 1226 CB VAL A 110 73.559 -3.189 -3.930 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.774 -1.889 -3.722 1.00 0.00 C ATOM 1228 CG2 VAL A 110 73.564 -3.995 -2.629 1.00 0.00 C ATOM 0 H VAL A 110 74.369 -3.920 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 110 73.149 -5.091 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 110 74.581 -2.938 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 110 73.236 -1.309 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.781 -1.308 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.745 -2.125 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 110 74.010 -3.399 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 110 72.541 -4.254 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 110 74.145 -4.907 -2.768 1.00 0.00 H new ATOM 1238 N PHE A 111 70.798 -3.719 -3.908 1.00 0.00 N ATOM 1239 CA PHE A 111 69.310 -3.615 -3.859 1.00 0.00 C ATOM 1240 C PHE A 111 68.863 -2.830 -2.623 1.00 0.00 C ATOM 1241 O PHE A 111 68.209 -1.811 -2.726 1.00 0.00 O ATOM 1242 CB PHE A 111 68.815 -5.060 -3.787 1.00 0.00 C ATOM 1243 CG PHE A 111 68.750 -5.636 -5.183 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.081 -4.940 -6.195 1.00 0.00 C ATOM 1245 CD2 PHE A 111 69.362 -6.864 -5.464 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.020 -5.472 -7.489 1.00 0.00 C ATOM 1247 CE2 PHE A 111 69.303 -7.395 -6.758 1.00 0.00 C ATOM 1248 CZ PHE A 111 68.632 -6.699 -7.771 1.00 0.00 C ATOM 0 H PHE A 111 71.272 -3.616 -3.011 1.00 0.00 H new ATOM 0 HA PHE A 111 68.909 -3.087 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 111 69.485 -5.655 -3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.831 -5.097 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 111 67.611 -3.992 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 111 69.879 -7.401 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 111 67.501 -4.936 -8.269 1.00 0.00 H new ATOM 0 HE2 PHE A 111 69.775 -8.342 -6.975 1.00 0.00 H new ATOM 0 HZ PHE A 111 68.587 -7.109 -8.769 1.00 0.00 H new ATOM 1258 N THR A 112 69.206 -3.298 -1.458 1.00 0.00 N ATOM 1259 CA THR A 112 68.794 -2.581 -0.213 1.00 0.00 C ATOM 1260 C THR A 112 69.222 -1.117 -0.274 1.00 0.00 C ATOM 1261 O THR A 112 69.639 -0.618 -1.300 1.00 0.00 O ATOM 1262 CB THR A 112 69.532 -3.286 0.926 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.066 -2.783 2.171 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.038 -3.030 0.802 1.00 0.00 C ATOM 0 H THR A 112 69.754 -4.146 -1.310 1.00 0.00 H new ATOM 0 HA THR A 112 67.712 -2.600 -0.079 1.00 0.00 H new ATOM 0 HB THR A 112 69.344 -4.358 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 112 69.536 -3.234 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.561 -3.534 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.395 -3.415 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.231 -1.958 0.856 1.00 0.00 H new ATOM 1272 N ASP A 113 69.139 -0.434 0.831 1.00 0.00 N ATOM 1273 CA ASP A 113 69.561 0.995 0.856 1.00 0.00 C ATOM 1274 C ASP A 113 71.051 1.066 1.201 1.00 0.00 C ATOM 1275 O ASP A 113 71.503 0.380 2.097 1.00 0.00 O ATOM 1276 CB ASP A 113 68.720 1.650 1.953 1.00 0.00 C ATOM 1277 CG ASP A 113 67.260 1.221 1.803 1.00 0.00 C ATOM 1278 OD1 ASP A 113 66.611 1.703 0.888 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.813 0.417 2.606 1.00 0.00 O ATOM 0 H ASP A 113 68.797 -0.802 1.719 1.00 0.00 H new ATOM 0 HA ASP A 113 69.416 1.496 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.096 1.361 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.800 2.735 1.888 1.00 0.00 H new ATOM 1284 N PRO A 114 71.781 1.873 0.475 1.00 0.00 N ATOM 1285 CA PRO A 114 73.234 1.989 0.718 1.00 0.00 C ATOM 1286 C PRO A 114 73.539 2.427 2.163 1.00 0.00 C ATOM 1287 O PRO A 114 74.285 1.760 2.849 1.00 0.00 O ATOM 1288 CB PRO A 114 73.672 3.024 -0.324 1.00 0.00 C ATOM 1289 CG PRO A 114 72.436 3.454 -1.142 1.00 0.00 C ATOM 1290 CD PRO A 114 71.207 2.703 -0.612 1.00 0.00 C ATOM 0 HA PRO A 114 73.769 1.045 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.120 3.888 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.432 2.601 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.285 4.530 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 114 72.587 3.233 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.443 3.386 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 114 70.740 2.093 -1.385 1.00 0.00 H new ATOM 1298 N PRO A 115 72.964 3.524 2.584 1.00 0.00 N ATOM 1299 CA PRO A 115 73.203 4.039 3.959 1.00 0.00 C ATOM 1300 C PRO A 115 72.690 3.048 5.009 1.00 0.00 C ATOM 1301 O PRO A 115 71.638 3.232 5.587 1.00 0.00 O ATOM 1302 CB PRO A 115 72.380 5.329 3.981 1.00 0.00 C ATOM 1303 CG PRO A 115 71.699 5.505 2.610 1.00 0.00 C ATOM 1304 CD PRO A 115 72.045 4.299 1.727 1.00 0.00 C ATOM 0 HA PRO A 115 74.258 4.192 4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.631 5.286 4.772 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.022 6.183 4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.619 5.585 2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.035 6.428 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.158 3.724 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 115 72.520 4.603 0.794 1.00 0.00 H new ATOM 1312 N VAL A 116 73.424 1.999 5.257 1.00 0.00 N ATOM 1313 CA VAL A 116 72.980 1.000 6.266 1.00 0.00 C ATOM 1314 C VAL A 116 73.633 1.283 7.623 1.00 0.00 C ATOM 1315 O VAL A 116 74.730 1.801 7.699 1.00 0.00 O ATOM 1316 CB VAL A 116 73.455 -0.341 5.715 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.092 -0.444 4.233 1.00 0.00 C ATOM 1318 CG2 VAL A 116 74.971 -0.450 5.882 1.00 0.00 C ATOM 0 H VAL A 116 74.313 1.791 4.803 1.00 0.00 H new ATOM 0 HA VAL A 116 71.902 1.024 6.426 1.00 0.00 H new ATOM 0 HB VAL A 116 72.971 -1.151 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.432 -1.403 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.011 -0.367 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 116 73.574 0.364 3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.312 -1.408 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.456 0.360 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.227 -0.380 6.939 1.00 0.00 H new ATOM 1328 N LYS A 117 72.968 0.947 8.693 1.00 0.00 N ATOM 1329 CA LYS A 117 73.551 1.195 10.042 1.00 0.00 C ATOM 1330 C LYS A 117 74.350 -0.024 10.508 1.00 0.00 C ATOM 1331 O LYS A 117 74.021 -1.151 10.192 1.00 0.00 O ATOM 1332 CB LYS A 117 72.348 1.431 10.954 1.00 0.00 C ATOM 1333 CG LYS A 117 72.615 2.643 11.846 1.00 0.00 C ATOM 1334 CD LYS A 117 72.189 2.324 13.281 1.00 0.00 C ATOM 1335 CE LYS A 117 71.153 3.349 13.747 1.00 0.00 C ATOM 1336 NZ LYS A 117 69.835 2.746 13.399 1.00 0.00 N ATOM 0 H LYS A 117 72.046 0.511 8.692 1.00 0.00 H new ATOM 0 HA LYS A 117 74.238 2.041 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.452 1.596 10.356 1.00 0.00 H new ATOM 0 HB3 LYS A 117 72.164 0.549 11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.673 2.902 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.065 3.508 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.770 1.319 13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 117 73.056 2.342 13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 117 71.233 3.533 14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 117 71.293 4.308 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 69.071 3.390 13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.786 2.589 12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 69.727 1.838 13.894 1.00 0.00 H new ATOM 1350 N THR A 118 75.396 0.191 11.258 1.00 0.00 N ATOM 1351 CA THR A 118 76.217 -0.955 11.744 1.00 0.00 C ATOM 1352 C THR A 118 77.416 -0.444 12.551 1.00 0.00 C ATOM 1353 O THR A 118 77.894 -1.103 13.452 1.00 0.00 O ATOM 1354 CB THR A 118 76.691 -1.669 10.478 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.664 -2.646 10.824 1.00 0.00 O ATOM 1356 CG2 THR A 118 77.307 -0.654 9.514 1.00 0.00 C ATOM 0 H THR A 118 75.718 1.112 11.556 1.00 0.00 H new ATOM 0 HA THR A 118 75.652 -1.618 12.399 1.00 0.00 H new ATOM 0 HB THR A 118 75.842 -2.154 9.996 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.555 -2.238 10.813 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.644 -1.166 8.613 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.561 0.095 9.248 1.00 0.00 H new ATOM 0 HG23 THR A 118 78.156 -0.166 9.993 1.00 0.00 H new ATOM 1364 N LYS A 119 77.906 0.722 12.230 1.00 0.00 N ATOM 1365 CA LYS A 119 79.076 1.270 12.977 1.00 0.00 C ATOM 1366 C LYS A 119 78.654 2.483 13.811 1.00 0.00 C ATOM 1367 O LYS A 119 78.844 2.520 15.011 1.00 0.00 O ATOM 1368 CB LYS A 119 80.074 1.684 11.895 1.00 0.00 C ATOM 1369 CG LYS A 119 81.444 1.081 12.208 1.00 0.00 C ATOM 1370 CD LYS A 119 82.383 1.307 11.021 1.00 0.00 C ATOM 1371 CE LYS A 119 83.817 1.461 11.528 1.00 0.00 C ATOM 1372 NZ LYS A 119 84.321 0.066 11.676 1.00 0.00 N ATOM 0 H LYS A 119 77.548 1.319 11.484 1.00 0.00 H new ATOM 0 HA LYS A 119 79.501 0.544 13.670 1.00 0.00 H new ATOM 0 HB2 LYS A 119 79.730 1.344 10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 119 80.145 2.771 11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 119 81.859 1.539 13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 119 81.346 0.014 12.410 1.00 0.00 H new ATOM 0 HD2 LYS A 119 82.319 0.468 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 119 82.083 2.199 10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 119 84.426 2.029 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 119 83.845 1.995 12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 85.302 0.086 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 83.725 -0.448 12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 84.288 -0.415 10.754 1.00 0.00 H new ATOM 1386 N PHE A 120 78.082 3.475 13.186 1.00 0.00 N ATOM 1387 CA PHE A 120 77.649 4.684 13.942 1.00 0.00 C ATOM 1388 C PHE A 120 76.813 5.597 13.041 1.00 0.00 C ATOM 1389 O PHE A 120 77.151 6.742 12.817 1.00 0.00 O ATOM 1390 CB PHE A 120 78.946 5.380 14.356 1.00 0.00 C ATOM 1391 CG PHE A 120 78.700 6.204 15.597 1.00 0.00 C ATOM 1392 CD1 PHE A 120 78.845 5.623 16.862 1.00 0.00 C ATOM 1393 CD2 PHE A 120 78.326 7.548 15.480 1.00 0.00 C ATOM 1394 CE1 PHE A 120 78.616 6.387 18.013 1.00 0.00 C ATOM 1395 CE2 PHE A 120 78.097 8.312 16.631 1.00 0.00 C ATOM 1396 CZ PHE A 120 78.243 7.732 17.897 1.00 0.00 C ATOM 0 H PHE A 120 77.896 3.501 12.184 1.00 0.00 H new ATOM 0 HA PHE A 120 77.030 4.433 14.803 1.00 0.00 H new ATOM 0 HB2 PHE A 120 79.724 4.640 14.546 1.00 0.00 H new ATOM 0 HB3 PHE A 120 79.303 6.018 13.548 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.133 4.586 16.950 1.00 0.00 H new ATOM 0 HD2 PHE A 120 78.214 7.995 14.503 1.00 0.00 H new ATOM 0 HE1 PHE A 120 78.727 5.939 18.990 1.00 0.00 H new ATOM 0 HE2 PHE A 120 77.808 9.349 16.542 1.00 0.00 H new ATOM 0 HZ PHE A 120 78.068 8.322 18.784 1.00 0.00 H new ATOM 1406 N GLY A 121 75.726 5.096 12.521 1.00 0.00 N ATOM 1407 CA GLY A 121 74.871 5.931 11.632 1.00 0.00 C ATOM 1408 C GLY A 121 74.638 5.191 10.314 1.00 0.00 C ATOM 1409 O GLY A 121 74.921 4.016 10.194 1.00 0.00 O ATOM 0 H GLY A 121 75.393 4.144 12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 121 73.918 6.141 12.118 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.351 6.891 11.443 1.00 0.00 H new ATOM 1413 N TYR A 122 74.129 5.868 9.323 1.00 0.00 N ATOM 1414 CA TYR A 122 73.882 5.199 8.012 1.00 0.00 C ATOM 1415 C TYR A 122 75.108 5.348 7.108 1.00 0.00 C ATOM 1416 O TYR A 122 75.653 6.423 6.957 1.00 0.00 O ATOM 1417 CB TYR A 122 72.680 5.930 7.413 1.00 0.00 C ATOM 1418 CG TYR A 122 71.503 5.833 8.357 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.376 4.730 9.211 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.539 6.847 8.376 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.286 4.643 10.084 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.448 6.759 9.249 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.322 5.656 10.103 1.00 0.00 C ATOM 1424 OH TYR A 122 68.246 5.570 10.964 1.00 0.00 O ATOM 0 H TYR A 122 73.873 6.855 9.362 1.00 0.00 H new ATOM 0 HA TYR A 122 73.694 4.131 8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 122 72.930 6.976 7.234 1.00 0.00 H new ATOM 0 HB3 TYR A 122 72.421 5.495 6.448 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.119 3.947 9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 122 70.637 7.697 7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.189 3.793 10.743 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.704 7.541 9.264 1.00 0.00 H new ATOM 0 HH TYR A 122 67.672 6.356 10.850 1.00 0.00 H new ATOM 1434 N HIS A 123 75.551 4.276 6.507 1.00 0.00 N ATOM 1435 CA HIS A 123 76.748 4.362 5.615 1.00 0.00 C ATOM 1436 C HIS A 123 76.489 3.580 4.324 1.00 0.00 C ATOM 1437 O HIS A 123 75.831 2.561 4.337 1.00 0.00 O ATOM 1438 CB HIS A 123 77.908 3.720 6.396 1.00 0.00 C ATOM 1439 CG HIS A 123 77.688 3.852 7.882 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.651 5.082 8.521 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.486 2.914 8.864 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.433 4.852 9.828 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.325 3.548 10.092 1.00 0.00 N ATOM 0 H HIS A 123 75.139 3.347 6.593 1.00 0.00 H new ATOM 0 HA HIS A 123 76.974 5.393 5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.994 2.667 6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.848 4.197 6.119 1.00 0.00 H new ATOM 0 HD1 HIS A 123 77.768 5.994 8.080 1.00 0.00 H new ATOM 0 HD2 HIS A 123 77.457 1.846 8.707 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.355 5.629 10.574 1.00 0.00 H new ATOM 1451 N ILE A 124 77.002 4.039 3.211 1.00 0.00 N ATOM 1452 CA ILE A 124 76.774 3.303 1.930 1.00 0.00 C ATOM 1453 C ILE A 124 77.882 2.270 1.713 1.00 0.00 C ATOM 1454 O ILE A 124 79.042 2.525 1.969 1.00 0.00 O ATOM 1455 CB ILE A 124 76.799 4.370 0.832 1.00 0.00 C ATOM 1456 CG1 ILE A 124 75.796 5.481 1.170 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.414 3.732 -0.504 1.00 0.00 C ATOM 1458 CD1 ILE A 124 75.670 6.435 -0.022 1.00 0.00 C ATOM 0 H ILE A 124 77.565 4.886 3.133 1.00 0.00 H new ATOM 0 HA ILE A 124 75.829 2.759 1.932 1.00 0.00 H new ATOM 0 HB ILE A 124 77.801 4.794 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 124 74.824 5.048 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.126 6.027 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.431 4.490 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.124 2.942 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.412 3.309 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 124 74.958 7.224 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 124 76.642 6.877 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 124 75.320 5.883 -0.894 1.00 0.00 H new ATOM 1470 N ILE A 125 77.529 1.096 1.260 1.00 0.00 N ATOM 1471 CA ILE A 125 78.555 0.037 1.045 1.00 0.00 C ATOM 1472 C ILE A 125 78.554 -0.431 -0.416 1.00 0.00 C ATOM 1473 O ILE A 125 77.537 -0.430 -1.077 1.00 0.00 O ATOM 1474 CB ILE A 125 78.127 -1.097 1.987 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.724 -0.855 3.374 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.616 -2.445 1.455 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.820 -1.488 4.432 1.00 0.00 C ATOM 0 H ILE A 125 76.573 0.826 1.030 1.00 0.00 H new ATOM 0 HA ILE A 125 79.568 0.385 1.248 1.00 0.00 H new ATOM 0 HB ILE A 125 77.039 -1.114 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.725 -1.283 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.824 0.215 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.305 -3.239 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.189 -2.623 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.704 -2.435 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.243 -1.317 5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.828 -1.039 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 125 77.743 -2.560 4.251 1.00 0.00 H new ATOM 1489 N MET A 126 79.690 -0.842 -0.912 1.00 0.00 N ATOM 1490 CA MET A 126 79.771 -1.326 -2.323 1.00 0.00 C ATOM 1491 C MET A 126 80.715 -2.530 -2.407 1.00 0.00 C ATOM 1492 O MET A 126 81.904 -2.407 -2.198 1.00 0.00 O ATOM 1493 CB MET A 126 80.341 -0.153 -3.117 1.00 0.00 C ATOM 1494 CG MET A 126 79.234 0.860 -3.401 1.00 0.00 C ATOM 1495 SD MET A 126 79.614 1.743 -4.936 1.00 0.00 S ATOM 1496 CE MET A 126 80.596 3.074 -4.204 1.00 0.00 C ATOM 0 H MET A 126 80.571 -0.864 -0.398 1.00 0.00 H new ATOM 0 HA MET A 126 78.801 -1.644 -2.706 1.00 0.00 H new ATOM 0 HB2 MET A 126 81.147 0.321 -2.557 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.771 -0.509 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 126 78.273 0.352 -3.488 1.00 0.00 H new ATOM 0 HG3 MET A 126 79.148 1.565 -2.574 1.00 0.00 H new ATOM 0 HE1 MET A 126 80.938 3.748 -4.989 1.00 0.00 H new ATOM 0 HE2 MET A 126 79.985 3.628 -3.491 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.458 2.649 -3.689 1.00 0.00 H new ATOM 1506 N VAL A 127 80.196 -3.688 -2.709 1.00 0.00 N ATOM 1507 CA VAL A 127 81.067 -4.899 -2.800 1.00 0.00 C ATOM 1508 C VAL A 127 81.602 -5.060 -4.225 1.00 0.00 C ATOM 1509 O VAL A 127 80.948 -4.695 -5.182 1.00 0.00 O ATOM 1510 CB VAL A 127 80.145 -6.063 -2.439 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.826 -7.385 -2.795 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.843 -6.029 -0.939 1.00 0.00 C ATOM 0 H VAL A 127 79.207 -3.850 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 127 81.935 -4.840 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 127 79.214 -5.975 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 127 80.168 -8.214 -2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 127 81.038 -7.409 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.759 -7.475 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.185 -6.859 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.774 -6.116 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.355 -5.088 -0.687 1.00 0.00 H new ATOM 1522 N GLU A 128 82.784 -5.599 -4.382 1.00 0.00 N ATOM 1523 CA GLU A 128 83.333 -5.765 -5.754 1.00 0.00 C ATOM 1524 C GLU A 128 84.270 -6.977 -5.846 1.00 0.00 C ATOM 1525 O GLU A 128 85.454 -6.894 -5.655 1.00 0.00 O ATOM 1526 CB GLU A 128 84.098 -4.470 -6.033 1.00 0.00 C ATOM 1527 CG GLU A 128 83.545 -3.817 -7.303 1.00 0.00 C ATOM 1528 CD GLU A 128 83.858 -2.320 -7.284 1.00 0.00 C ATOM 1529 OE1 GLU A 128 84.846 -1.948 -6.673 1.00 0.00 O ATOM 1530 OE2 GLU A 128 83.103 -1.570 -7.882 1.00 0.00 O ATOM 0 H GLU A 128 83.385 -5.927 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 128 82.541 -5.945 -6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 128 84.001 -3.788 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 128 85.161 -4.681 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.987 -4.281 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 128 82.468 -3.974 -7.366 1.00 0.00 H new ATOM 1537 N GLY A 129 83.742 -8.103 -6.148 1.00 0.00 N ATOM 1538 CA GLY A 129 84.595 -9.310 -6.284 1.00 0.00 C ATOM 1539 C GLY A 129 84.538 -10.103 -4.999 1.00 0.00 C ATOM 1540 O GLY A 129 85.237 -9.815 -4.052 1.00 0.00 O ATOM 0 H GLY A 129 82.747 -8.254 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 129 84.251 -9.921 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.623 -9.021 -6.502 1.00 0.00 H new ATOM 1544 N ARG A 130 83.707 -11.095 -4.951 1.00 0.00 N ATOM 1545 CA ARG A 130 83.612 -11.891 -3.711 1.00 0.00 C ATOM 1546 C ARG A 130 84.627 -13.033 -3.728 1.00 0.00 C ATOM 1547 O ARG A 130 84.635 -13.889 -2.866 1.00 0.00 O ATOM 1548 CB ARG A 130 82.202 -12.441 -3.702 1.00 0.00 C ATOM 1549 CG ARG A 130 81.196 -11.290 -3.624 1.00 0.00 C ATOM 1550 CD ARG A 130 79.934 -11.662 -4.405 1.00 0.00 C ATOM 1551 NE ARG A 130 78.806 -11.309 -3.497 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.125 -12.251 -2.906 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.703 -13.021 -2.024 1.00 0.00 N ATOM 1554 NH2 ARG A 130 76.864 -12.424 -3.195 1.00 0.00 N ATOM 0 H ARG A 130 83.093 -11.387 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 130 83.825 -11.292 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.026 -13.029 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.069 -13.111 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 130 80.945 -11.082 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.635 -10.380 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 130 79.873 -11.111 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.923 -12.723 -4.656 1.00 0.00 H new ATOM 0 HE ARG A 130 78.567 -10.330 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 130 79.688 -12.886 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 130 78.169 -13.758 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 130 76.411 -11.822 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.331 -13.161 -2.733 1.00 0.00 H new ATOM 1568 N LYS A 131 85.474 -13.046 -4.708 1.00 0.00 N ATOM 1569 CA LYS A 131 86.498 -14.128 -4.805 1.00 0.00 C ATOM 1570 C LYS A 131 85.814 -15.487 -4.982 1.00 0.00 C ATOM 1571 O LYS A 131 86.494 -16.423 -5.371 1.00 0.00 O ATOM 1572 CB LYS A 131 87.254 -14.079 -3.478 1.00 0.00 C ATOM 1573 CG LYS A 131 88.733 -13.786 -3.745 1.00 0.00 C ATOM 1574 CD LYS A 131 89.475 -13.653 -2.413 1.00 0.00 C ATOM 1575 CE LYS A 131 90.973 -13.492 -2.676 1.00 0.00 C ATOM 1576 NZ LYS A 131 91.525 -14.874 -2.599 1.00 0.00 N ATOM 1577 OXT LYS A 131 84.625 -15.568 -4.726 1.00 0.00 O ATOM 0 H LYS A 131 85.507 -12.352 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 131 87.163 -13.992 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 131 86.830 -13.309 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 131 87.149 -15.028 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 131 89.172 -14.587 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 131 88.834 -12.868 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 131 89.098 -12.793 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 131 89.296 -14.533 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 131 91.157 -13.047 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 131 91.436 -12.839 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 92.551 -14.848 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 91.340 -15.270 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 91.070 -15.470 -3.319 1.00 0.00 H new