USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= -0.914 K(o=-0.91,f=-0.3) USER MOD Set 2.1: A 61 GLN : amide:sc= -1.38 K(o=-2.4,f=2.2) USER MOD Set 2.2: A 63 TYR OH : rot 165:sc= -0.995 USER MOD Set 3.1: A 46 MET CE :methyl 135:sc= -2.78 (180deg=-6.4!) USER MOD Set 3.2: A 100 SER OG : rot 93:sc= 1.04 USER MOD Set 4.1: A 25 GLN : amide:sc= -1.25 K(o=-1.2,f=-3) USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= 0.0086 USER MOD Set 5.1: A 36 SER OG : rot 140:sc= 0 USER MOD Set 5.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.056 (180deg=-2.9!) USER MOD Single : A 40 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.289) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -6! C(o=-6!,f=-7.2!) USER MOD Single : A 55 GLN : amide:sc= -0.315 K(o=-0.31,f=0.59) USER MOD Single : A 56 TYR OH : rot -147:sc= -1.32 USER MOD Single : A 58 MET CE :methyl -165:sc= -0.019 (180deg=-0.296) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.13 K(o=-5.1,f=-12!) USER MOD Single : A 68 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.68) USER MOD Single : A 69 HIS : no HD1:sc= -0.36 K(o=-0.36,f=-1.7) USER MOD Single : A 72 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-5.9!) USER MOD Single : A 73 CYS SG : rot -135:sc= -3.5! USER MOD Single : A 75 ASN : amide:sc= 0.0207 K(o=0.021,f=-6.8!) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.513 K(o=-0.51,f=0.062) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -3.226 8.120 7.881 1.00 1.00 N ATOM 157 CA LEU A 23 -3.529 7.518 6.588 1.00 1.00 C ATOM 158 C LEU A 23 -2.451 7.845 5.560 1.00 1.00 C ATOM 159 O LEU A 23 -1.885 8.938 5.562 1.00 1.00 O ATOM 160 CB LEU A 23 -4.890 8.001 6.077 1.00 1.00 C ATOM 161 CG LEU A 23 -5.977 8.148 7.146 1.00 1.00 C ATOM 162 CD1 LEU A 23 -6.705 9.475 6.990 1.00 1.00 C ATOM 163 CD2 LEU A 23 -6.961 6.989 7.070 1.00 1.00 C ATOM 0 HA LEU A 23 -3.559 6.437 6.727 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -4.754 8.965 5.586 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.243 7.303 5.317 1.00 1.00 H new ATOM 0 HG LEU A 23 -5.499 8.131 8.125 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -7.473 9.561 7.758 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -5.994 10.295 7.095 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -7.170 9.521 6.005 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -7.726 7.110 7.837 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -7.432 6.975 6.087 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -6.431 6.050 7.232 1.00 1.00 H new ATOM 175 N VAL A 24 -2.188 6.894 4.670 1.00 1.00 N ATOM 176 CA VAL A 24 -1.195 7.082 3.620 1.00 1.00 C ATOM 177 C VAL A 24 -1.886 7.172 2.261 1.00 1.00 C ATOM 178 O VAL A 24 -3.035 6.755 2.119 1.00 1.00 O ATOM 179 CB VAL A 24 -0.144 5.947 3.597 1.00 1.00 C ATOM 180 CG1 VAL A 24 1.061 6.326 4.443 1.00 1.00 C ATOM 181 CG2 VAL A 24 -0.740 4.626 4.073 1.00 1.00 C ATOM 0 H VAL A 24 -2.650 5.985 4.655 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.669 8.012 3.833 1.00 1.00 H new ATOM 0 HB VAL A 24 0.180 5.810 2.565 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.792 5.518 4.417 1.00 1.00 H new ATOM 0 HG12 VAL A 24 1.512 7.236 4.047 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.744 6.496 5.472 1.00 1.00 H new ATOM 0 HG21 VAL A 24 0.025 3.850 4.044 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.105 4.738 5.094 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -1.567 4.344 3.421 1.00 1.00 H new ATOM 191 N GLN A 25 -1.201 7.731 1.265 1.00 1.00 N ATOM 192 CA GLN A 25 -1.788 7.878 -0.063 1.00 1.00 C ATOM 193 C GLN A 25 -0.921 7.227 -1.139 1.00 1.00 C ATOM 194 O GLN A 25 0.014 7.842 -1.650 1.00 1.00 O ATOM 195 CB GLN A 25 -1.993 9.361 -0.381 1.00 1.00 C ATOM 196 CG GLN A 25 -2.605 9.616 -1.749 1.00 1.00 C ATOM 197 CD GLN A 25 -4.112 9.773 -1.694 1.00 1.00 C ATOM 198 OE1 GLN A 25 -4.849 9.029 -2.342 1.00 1.00 O ATOM 199 NE2 GLN A 25 -4.578 10.745 -0.919 1.00 1.00 N ATOM 0 H GLN A 25 -0.249 8.086 1.352 1.00 1.00 H new ATOM 0 HA GLN A 25 -2.752 7.368 -0.060 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -2.635 9.801 0.382 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -1.032 9.872 -0.322 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -2.165 10.517 -2.177 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -2.354 8.791 -2.415 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -3.931 11.338 -0.400 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -5.583 10.899 -0.843 1.00 1.00 H new ATOM 208 N PRO A 26 -1.230 5.969 -1.505 1.00 1.00 N ATOM 209 CA PRO A 26 -0.482 5.237 -2.535 1.00 1.00 C ATOM 210 C PRO A 26 -0.374 6.020 -3.838 1.00 1.00 C ATOM 211 O PRO A 26 -1.067 7.018 -4.034 1.00 1.00 O ATOM 212 CB PRO A 26 -1.324 3.977 -2.752 1.00 1.00 C ATOM 213 CG PRO A 26 -2.039 3.781 -1.462 1.00 1.00 C ATOM 214 CD PRO A 26 -2.334 5.163 -0.951 1.00 1.00 C ATOM 0 HA PRO A 26 0.545 5.040 -2.228 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -2.023 4.104 -3.578 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -0.698 3.118 -2.994 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -2.957 3.211 -1.605 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -1.425 3.224 -0.754 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -3.305 5.520 -1.294 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -2.349 5.195 0.138 1.00 1.00 H new ATOM 222 N THR A 27 0.491 5.553 -4.732 1.00 1.00 N ATOM 223 CA THR A 27 0.678 6.202 -6.023 1.00 1.00 C ATOM 224 C THR A 27 -0.449 5.814 -6.976 1.00 1.00 C ATOM 225 O THR A 27 -1.131 4.811 -6.763 1.00 1.00 O ATOM 226 CB THR A 27 2.030 5.813 -6.624 1.00 1.00 C ATOM 227 OG1 THR A 27 2.303 4.442 -6.398 1.00 1.00 O ATOM 228 CG2 THR A 27 3.187 6.610 -6.062 1.00 1.00 C ATOM 0 H THR A 27 1.073 4.728 -4.586 1.00 1.00 H new ATOM 0 HA THR A 27 0.659 7.282 -5.874 1.00 1.00 H new ATOM 0 HB THR A 27 1.945 6.029 -7.689 1.00 1.00 H new ATOM 0 HG1 THR A 27 3.171 4.212 -6.791 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.115 6.284 -6.531 1.00 1.00 H new ATOM 0 HG22 THR A 27 3.031 7.670 -6.264 1.00 1.00 H new ATOM 0 HG23 THR A 27 3.249 6.451 -4.985 1.00 1.00 H new ATOM 236 N PRO A 28 -0.664 6.600 -8.044 1.00 1.00 N ATOM 237 CA PRO A 28 -1.715 6.327 -9.025 1.00 1.00 C ATOM 238 C PRO A 28 -1.710 4.872 -9.482 1.00 1.00 C ATOM 239 O PRO A 28 -2.765 4.271 -9.684 1.00 1.00 O ATOM 240 CB PRO A 28 -1.387 7.265 -10.198 1.00 1.00 C ATOM 241 CG PRO A 28 -0.064 7.883 -9.875 1.00 1.00 C ATOM 242 CD PRO A 28 0.091 7.809 -8.384 1.00 1.00 C ATOM 0 HA PRO A 28 -2.708 6.494 -8.608 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -1.341 6.714 -11.137 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -2.156 8.028 -10.314 1.00 1.00 H new ATOM 0 HG2 PRO A 28 0.745 7.351 -10.376 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -0.025 8.917 -10.218 1.00 1.00 H new ATOM 0 HD2 PRO A 28 1.137 7.730 -8.089 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -0.314 8.692 -7.890 1.00 1.00 H new ATOM 250 N LEU A 29 -0.516 4.307 -9.634 1.00 1.00 N ATOM 251 CA LEU A 29 -0.379 2.919 -10.057 1.00 1.00 C ATOM 252 C LEU A 29 -0.860 1.980 -8.956 1.00 1.00 C ATOM 253 O LEU A 29 -1.773 1.178 -9.163 1.00 1.00 O ATOM 254 CB LEU A 29 1.075 2.608 -10.415 1.00 1.00 C ATOM 255 CG LEU A 29 1.336 1.178 -10.892 1.00 1.00 C ATOM 256 CD1 LEU A 29 0.356 0.790 -11.990 1.00 1.00 C ATOM 257 CD2 LEU A 29 2.768 1.034 -11.381 1.00 1.00 C ATOM 0 H LEU A 29 0.368 4.788 -9.471 1.00 1.00 H new ATOM 0 HA LEU A 29 -0.995 2.767 -10.943 1.00 1.00 H new ATOM 0 HB2 LEU A 29 1.396 3.299 -11.195 1.00 1.00 H new ATOM 0 HB3 LEU A 29 1.697 2.802 -9.541 1.00 1.00 H new ATOM 0 HG LEU A 29 1.189 0.503 -10.049 1.00 1.00 H new ATOM 0 HD11 LEU A 29 0.559 -0.230 -12.315 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -0.663 0.853 -11.607 1.00 1.00 H new ATOM 0 HD13 LEU A 29 0.469 1.469 -12.835 1.00 1.00 H new ATOM 0 HD21 LEU A 29 2.937 0.011 -11.717 1.00 1.00 H new ATOM 0 HD22 LEU A 29 2.940 1.721 -12.210 1.00 1.00 H new ATOM 0 HD23 LEU A 29 3.455 1.267 -10.568 1.00 1.00 H new ATOM 269 N LEU A 30 -0.249 2.093 -7.779 1.00 1.00 N ATOM 270 CA LEU A 30 -0.628 1.263 -6.642 1.00 1.00 C ATOM 271 C LEU A 30 -2.123 1.395 -6.373 1.00 1.00 C ATOM 272 O LEU A 30 -2.804 0.414 -6.078 1.00 1.00 O ATOM 273 CB LEU A 30 0.174 1.664 -5.399 1.00 1.00 C ATOM 274 CG LEU A 30 0.157 0.651 -4.248 1.00 1.00 C ATOM 275 CD1 LEU A 30 0.350 -0.766 -4.769 1.00 1.00 C ATOM 276 CD2 LEU A 30 1.230 0.994 -3.223 1.00 1.00 C ATOM 0 H LEU A 30 0.508 2.750 -7.589 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.404 0.222 -6.877 1.00 1.00 H new ATOM 0 HB2 LEU A 30 1.209 1.834 -5.695 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.212 2.614 -5.030 1.00 1.00 H new ATOM 0 HG LEU A 30 -0.817 0.703 -3.762 1.00 1.00 H new ATOM 0 HD11 LEU A 30 0.334 -1.466 -3.934 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -0.454 -1.011 -5.463 1.00 1.00 H new ATOM 0 HD13 LEU A 30 1.308 -0.837 -5.284 1.00 1.00 H new ATOM 0 HD21 LEU A 30 1.205 0.266 -2.412 1.00 1.00 H new ATOM 0 HD22 LEU A 30 2.210 0.972 -3.700 1.00 1.00 H new ATOM 0 HD23 LEU A 30 1.044 1.990 -2.821 1.00 1.00 H new ATOM 288 N LEU A 31 -2.623 2.623 -6.493 1.00 1.00 N ATOM 289 CA LEU A 31 -4.040 2.912 -6.281 1.00 1.00 C ATOM 290 C LEU A 31 -4.927 1.886 -6.987 1.00 1.00 C ATOM 291 O LEU A 31 -5.688 1.163 -6.343 1.00 1.00 O ATOM 292 CB LEU A 31 -4.366 4.320 -6.792 1.00 1.00 C ATOM 293 CG LEU A 31 -4.721 5.338 -5.708 1.00 1.00 C ATOM 294 CD1 LEU A 31 -4.981 6.704 -6.324 1.00 1.00 C ATOM 295 CD2 LEU A 31 -5.932 4.869 -4.917 1.00 1.00 C ATOM 0 H LEU A 31 -2.063 3.440 -6.738 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.241 2.855 -5.211 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -3.509 4.694 -7.353 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -5.199 4.252 -7.491 1.00 1.00 H new ATOM 0 HG LEU A 31 -3.876 5.426 -5.025 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.232 7.416 -5.538 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.087 7.043 -6.848 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -5.810 6.634 -7.028 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.172 5.604 -4.149 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.783 4.754 -5.588 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -5.710 3.912 -4.446 1.00 1.00 H new ATOM 307 N SER A 32 -4.824 1.831 -8.314 1.00 1.00 N ATOM 308 CA SER A 32 -5.617 0.896 -9.110 1.00 1.00 C ATOM 309 C SER A 32 -5.521 -0.520 -8.548 1.00 1.00 C ATOM 310 O SER A 32 -6.519 -1.236 -8.477 1.00 1.00 O ATOM 311 CB SER A 32 -5.155 0.914 -10.568 1.00 1.00 C ATOM 312 OG SER A 32 -5.750 1.986 -11.279 1.00 1.00 O ATOM 0 H SER A 32 -4.199 2.423 -8.861 1.00 1.00 H new ATOM 0 HA SER A 32 -6.659 1.213 -9.064 1.00 1.00 H new ATOM 0 HB2 SER A 32 -4.070 1.005 -10.608 1.00 1.00 H new ATOM 0 HB3 SER A 32 -5.413 -0.031 -11.046 1.00 1.00 H new ATOM 0 HG SER A 32 -5.437 1.976 -12.208 1.00 1.00 H new ATOM 318 N LEU A 33 -4.324 -0.924 -8.129 1.00 1.00 N ATOM 319 CA LEU A 33 -4.148 -2.255 -7.556 1.00 1.00 C ATOM 320 C LEU A 33 -5.101 -2.425 -6.378 1.00 1.00 C ATOM 321 O LEU A 33 -5.619 -3.514 -6.131 1.00 1.00 O ATOM 322 CB LEU A 33 -2.703 -2.478 -7.106 1.00 1.00 C ATOM 323 CG LEU A 33 -1.631 -1.872 -8.017 1.00 1.00 C ATOM 324 CD1 LEU A 33 -0.243 -2.320 -7.579 1.00 1.00 C ATOM 325 CD2 LEU A 33 -1.882 -2.256 -9.470 1.00 1.00 C ATOM 0 H LEU A 33 -3.475 -0.360 -8.174 1.00 1.00 H new ATOM 0 HA LEU A 33 -4.374 -2.998 -8.321 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -2.583 -2.062 -6.106 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -2.526 -3.551 -7.028 1.00 1.00 H new ATOM 0 HG LEU A 33 -1.685 -0.786 -7.935 1.00 1.00 H new ATOM 0 HD11 LEU A 33 0.506 -1.880 -8.237 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.062 -1.994 -6.555 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -0.178 -3.407 -7.631 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -1.110 -1.816 -10.101 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -1.857 -3.341 -9.569 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -2.859 -1.886 -9.781 1.00 1.00 H new ATOM 337 N LEU A 34 -5.351 -1.320 -5.679 1.00 1.00 N ATOM 338 CA LEU A 34 -6.272 -1.314 -4.550 1.00 1.00 C ATOM 339 C LEU A 34 -7.704 -1.324 -5.069 1.00 1.00 C ATOM 340 O LEU A 34 -8.605 -1.887 -4.448 1.00 1.00 O ATOM 341 CB LEU A 34 -6.044 -0.075 -3.675 1.00 1.00 C ATOM 342 CG LEU A 34 -4.582 0.226 -3.341 1.00 1.00 C ATOM 343 CD1 LEU A 34 -4.441 1.641 -2.806 1.00 1.00 C ATOM 344 CD2 LEU A 34 -4.048 -0.783 -2.336 1.00 1.00 C ATOM 0 H LEU A 34 -4.925 -0.415 -5.878 1.00 1.00 H new ATOM 0 HA LEU A 34 -6.094 -2.202 -3.943 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -6.470 0.791 -4.181 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -6.594 -0.202 -2.743 1.00 1.00 H new ATOM 0 HG LEU A 34 -3.993 0.144 -4.255 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -3.395 1.839 -2.573 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -4.786 2.350 -3.558 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -5.041 1.750 -1.902 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -3.007 -0.554 -2.109 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -4.638 -0.732 -1.421 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -4.116 -1.786 -2.757 1.00 1.00 H new ATOM 356 N LYS A 35 -7.894 -0.700 -6.230 1.00 1.00 N ATOM 357 CA LYS A 35 -9.197 -0.626 -6.870 1.00 1.00 C ATOM 358 C LYS A 35 -9.749 -2.027 -7.118 1.00 1.00 C ATOM 359 O LYS A 35 -10.953 -2.260 -7.017 1.00 1.00 O ATOM 360 CB LYS A 35 -9.074 0.131 -8.196 1.00 1.00 C ATOM 361 CG LYS A 35 -9.435 1.606 -8.117 1.00 1.00 C ATOM 362 CD LYS A 35 -8.527 2.384 -7.173 1.00 1.00 C ATOM 363 CE LYS A 35 -8.965 2.244 -5.723 1.00 1.00 C ATOM 364 NZ LYS A 35 -10.436 2.412 -5.567 1.00 1.00 N ATOM 0 H LYS A 35 -7.149 -0.234 -6.748 1.00 1.00 H new ATOM 0 HA LYS A 35 -9.885 -0.095 -6.212 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.050 0.040 -8.558 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -9.717 -0.348 -8.934 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -9.377 2.044 -9.113 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -10.468 1.706 -7.785 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -7.502 2.028 -7.279 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -8.529 3.437 -7.453 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -8.670 1.264 -5.348 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -8.449 2.987 -5.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -10.635 2.933 -4.689 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -10.813 2.944 -6.378 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -10.890 1.477 -5.525 1.00 1.00 H new ATOM 378 N SER A 36 -8.852 -2.955 -7.437 1.00 1.00 N ATOM 379 CA SER A 36 -9.235 -4.338 -7.697 1.00 1.00 C ATOM 380 C SER A 36 -9.157 -5.173 -6.421 1.00 1.00 C ATOM 381 O SER A 36 -9.805 -6.213 -6.308 1.00 1.00 O ATOM 382 CB SER A 36 -8.333 -4.945 -8.774 1.00 1.00 C ATOM 383 OG SER A 36 -9.100 -5.559 -9.796 1.00 1.00 O ATOM 0 H SER A 36 -7.852 -2.773 -7.522 1.00 1.00 H new ATOM 0 HA SER A 36 -10.266 -4.343 -8.051 1.00 1.00 H new ATOM 0 HB2 SER A 36 -7.703 -4.167 -9.206 1.00 1.00 H new ATOM 0 HB3 SER A 36 -7.667 -5.681 -8.323 1.00 1.00 H new ATOM 0 HG SER A 36 -8.695 -5.369 -10.668 1.00 1.00 H new ATOM 389 N ALA A 37 -8.358 -4.710 -5.462 1.00 1.00 N ATOM 390 CA ALA A 37 -8.196 -5.414 -4.195 1.00 1.00 C ATOM 391 C ALA A 37 -9.371 -5.152 -3.253 1.00 1.00 C ATOM 392 O ALA A 37 -9.405 -5.670 -2.136 1.00 1.00 O ATOM 393 CB ALA A 37 -6.884 -5.011 -3.534 1.00 1.00 C ATOM 0 H ALA A 37 -7.814 -3.851 -5.540 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.174 -6.483 -4.406 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -6.774 -5.543 -2.589 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.052 -5.264 -4.192 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -6.885 -3.937 -3.348 1.00 1.00 H new ATOM 399 N GLY A 38 -10.332 -4.346 -3.701 1.00 1.00 N ATOM 400 CA GLY A 38 -11.484 -4.037 -2.875 1.00 1.00 C ATOM 401 C GLY A 38 -11.372 -2.673 -2.228 1.00 1.00 C ATOM 402 O GLY A 38 -11.763 -2.487 -1.076 1.00 1.00 O ATOM 0 H GLY A 38 -10.332 -3.903 -4.620 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -12.387 -4.076 -3.484 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.589 -4.797 -2.101 1.00 1.00 H new ATOM 406 N ALA A 39 -10.825 -1.718 -2.973 1.00 1.00 N ATOM 407 CA ALA A 39 -10.646 -0.362 -2.473 1.00 1.00 C ATOM 408 C ALA A 39 -11.586 0.618 -3.188 1.00 1.00 C ATOM 409 O ALA A 39 -11.894 0.432 -4.365 1.00 1.00 O ATOM 410 CB ALA A 39 -9.200 0.068 -2.653 1.00 1.00 C ATOM 0 H ALA A 39 -10.497 -1.860 -3.928 1.00 1.00 H new ATOM 0 HA ALA A 39 -10.894 -0.351 -1.412 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -9.073 1.083 -2.277 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -8.548 -0.608 -2.100 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -8.940 0.038 -3.711 1.00 1.00 H new ATOM 416 N GLN A 40 -12.042 1.661 -2.484 1.00 1.00 N ATOM 417 CA GLN A 40 -12.939 2.645 -3.082 1.00 1.00 C ATOM 418 C GLN A 40 -12.342 4.049 -3.004 1.00 1.00 C ATOM 419 O GLN A 40 -12.301 4.772 -3.999 1.00 1.00 O ATOM 420 CB GLN A 40 -14.301 2.616 -2.383 1.00 1.00 C ATOM 421 CG GLN A 40 -15.358 1.832 -3.143 1.00 1.00 C ATOM 422 CD GLN A 40 -14.925 0.412 -3.447 1.00 1.00 C ATOM 423 OE1 GLN A 40 -14.181 -0.200 -2.680 1.00 1.00 O ATOM 424 NE2 GLN A 40 -15.389 -0.121 -4.572 1.00 1.00 N ATOM 0 H GLN A 40 -11.805 1.841 -1.508 1.00 1.00 H new ATOM 0 HA GLN A 40 -13.072 2.386 -4.132 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -14.182 2.181 -1.391 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -14.650 3.639 -2.243 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -16.278 1.810 -2.559 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -15.585 2.346 -4.077 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -16.003 0.422 -5.178 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -15.131 -1.074 -4.829 1.00 1.00 H new ATOM 433 N LYS A 41 -11.880 4.427 -1.816 1.00 1.00 N ATOM 434 CA LYS A 41 -11.285 5.744 -1.609 1.00 1.00 C ATOM 435 C LYS A 41 -9.908 5.828 -2.259 1.00 1.00 C ATOM 436 O LYS A 41 -9.437 4.866 -2.865 1.00 1.00 O ATOM 437 CB LYS A 41 -11.178 6.055 -0.114 1.00 1.00 C ATOM 438 CG LYS A 41 -10.558 4.932 0.700 1.00 1.00 C ATOM 439 CD LYS A 41 -11.618 4.096 1.400 1.00 1.00 C ATOM 440 CE LYS A 41 -11.167 3.676 2.790 1.00 1.00 C ATOM 441 NZ LYS A 41 -12.217 2.897 3.504 1.00 1.00 N ATOM 0 H LYS A 41 -11.906 3.840 -0.982 1.00 1.00 H new ATOM 0 HA LYS A 41 -11.934 6.483 -2.078 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -10.584 6.959 0.018 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -12.173 6.268 0.276 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -9.964 4.294 0.046 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -9.877 5.352 1.441 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -12.544 4.667 1.474 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -11.837 3.210 0.804 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -10.260 3.076 2.711 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -10.913 4.562 3.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -11.870 2.630 4.447 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -13.074 3.478 3.602 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -12.441 2.038 2.962 1.00 1.00 H new ATOM 455 N GLU A 42 -9.268 6.986 -2.135 1.00 1.00 N ATOM 456 CA GLU A 42 -7.946 7.195 -2.715 1.00 1.00 C ATOM 457 C GLU A 42 -6.850 7.044 -1.663 1.00 1.00 C ATOM 458 O GLU A 42 -5.722 6.668 -1.980 1.00 1.00 O ATOM 459 CB GLU A 42 -7.863 8.579 -3.361 1.00 1.00 C ATOM 460 CG GLU A 42 -9.072 8.924 -4.215 1.00 1.00 C ATOM 461 CD GLU A 42 -10.214 9.501 -3.403 1.00 1.00 C ATOM 462 OE1 GLU A 42 -9.949 10.349 -2.525 1.00 1.00 O ATOM 463 OE2 GLU A 42 -11.374 9.105 -3.644 1.00 1.00 O ATOM 0 H GLU A 42 -9.643 7.794 -1.638 1.00 1.00 H new ATOM 0 HA GLU A 42 -7.792 6.433 -3.479 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -7.755 9.330 -2.579 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -6.966 8.630 -3.978 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -8.778 9.641 -4.982 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -9.415 8.028 -4.731 1.00 1.00 H new ATOM 470 N THR A 43 -7.187 7.337 -0.410 1.00 1.00 N ATOM 471 CA THR A 43 -6.224 7.230 0.683 1.00 1.00 C ATOM 472 C THR A 43 -6.566 6.057 1.596 1.00 1.00 C ATOM 473 O THR A 43 -7.733 5.695 1.747 1.00 1.00 O ATOM 474 CB THR A 43 -6.182 8.529 1.490 1.00 1.00 C ATOM 475 OG1 THR A 43 -6.721 9.604 0.742 1.00 1.00 O ATOM 476 CG2 THR A 43 -4.785 8.921 1.917 1.00 1.00 C ATOM 0 H THR A 43 -8.116 7.649 -0.126 1.00 1.00 H new ATOM 0 HA THR A 43 -5.240 7.054 0.249 1.00 1.00 H new ATOM 0 HB THR A 43 -6.777 8.334 2.382 1.00 1.00 H new ATOM 0 HG1 THR A 43 -6.686 10.425 1.277 1.00 1.00 H new ATOM 0 HG21 THR A 43 -4.825 9.850 2.485 1.00 1.00 H new ATOM 0 HG22 THR A 43 -4.360 8.133 2.540 1.00 1.00 H new ATOM 0 HG23 THR A 43 -4.161 9.062 1.035 1.00 1.00 H new ATOM 484 N PHE A 44 -5.541 5.464 2.199 1.00 1.00 N ATOM 485 CA PHE A 44 -5.732 4.328 3.094 1.00 1.00 C ATOM 486 C PHE A 44 -4.660 4.294 4.177 1.00 1.00 C ATOM 487 O PHE A 44 -3.528 4.724 3.955 1.00 1.00 O ATOM 488 CB PHE A 44 -5.680 3.016 2.306 1.00 1.00 C ATOM 489 CG PHE A 44 -6.536 2.999 1.076 1.00 1.00 C ATOM 490 CD1 PHE A 44 -6.119 3.633 -0.083 1.00 1.00 C ATOM 491 CD2 PHE A 44 -7.751 2.334 1.074 1.00 1.00 C ATOM 492 CE1 PHE A 44 -6.899 3.607 -1.221 1.00 1.00 C ATOM 493 CE2 PHE A 44 -8.536 2.307 -0.062 1.00 1.00 C ATOM 494 CZ PHE A 44 -8.109 2.945 -1.210 1.00 1.00 C ATOM 0 H PHE A 44 -4.569 5.751 2.084 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.709 4.441 3.564 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -4.647 2.820 2.018 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -5.989 2.201 2.960 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -5.173 4.153 -0.096 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -8.088 1.832 1.969 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -6.563 4.104 -2.119 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -9.483 1.787 -0.053 1.00 1.00 H new ATOM 0 HZ PHE A 44 -8.722 2.926 -2.099 1.00 1.00 H new ATOM 504 N THR A 45 -5.012 3.756 5.342 1.00 1.00 N ATOM 505 CA THR A 45 -4.064 3.641 6.441 1.00 1.00 C ATOM 506 C THR A 45 -3.131 2.463 6.189 1.00 1.00 C ATOM 507 O THR A 45 -3.505 1.504 5.513 1.00 1.00 O ATOM 508 CB THR A 45 -4.797 3.455 7.771 1.00 1.00 C ATOM 509 OG1 THR A 45 -5.832 2.497 7.644 1.00 1.00 O ATOM 510 CG2 THR A 45 -5.415 4.731 8.300 1.00 1.00 C ATOM 0 H THR A 45 -5.944 3.395 5.547 1.00 1.00 H new ATOM 0 HA THR A 45 -3.481 4.560 6.498 1.00 1.00 H new ATOM 0 HB THR A 45 -4.034 3.122 8.475 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.287 2.391 8.505 1.00 1.00 H new ATOM 0 HG21 THR A 45 -5.918 4.527 9.245 1.00 1.00 H new ATOM 0 HG22 THR A 45 -4.634 5.475 8.458 1.00 1.00 H new ATOM 0 HG23 THR A 45 -6.138 5.111 7.578 1.00 1.00 H new ATOM 518 N MET A 46 -1.914 2.544 6.717 1.00 1.00 N ATOM 519 CA MET A 46 -0.924 1.490 6.533 1.00 1.00 C ATOM 520 C MET A 46 -1.535 0.097 6.675 1.00 1.00 C ATOM 521 O MET A 46 -1.076 -0.855 6.044 1.00 1.00 O ATOM 522 CB MET A 46 0.224 1.667 7.522 1.00 1.00 C ATOM 523 CG MET A 46 1.578 1.422 6.891 1.00 1.00 C ATOM 524 SD MET A 46 2.280 2.902 6.145 1.00 1.00 S ATOM 525 CE MET A 46 2.406 2.372 4.438 1.00 1.00 C ATOM 0 H MET A 46 -1.589 3.332 7.278 1.00 1.00 H new ATOM 0 HA MET A 46 -0.541 1.575 5.516 1.00 1.00 H new ATOM 0 HB2 MET A 46 0.195 2.677 7.930 1.00 1.00 H new ATOM 0 HB3 MET A 46 0.087 0.981 8.358 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.263 1.043 7.649 1.00 1.00 H new ATOM 0 HG3 MET A 46 1.484 0.647 6.130 1.00 1.00 H new ATOM 0 HE1 MET A 46 2.041 3.164 3.783 1.00 1.00 H new ATOM 0 HE2 MET A 46 3.447 2.155 4.200 1.00 1.00 H new ATOM 0 HE3 MET A 46 1.806 1.474 4.291 1.00 1.00 H new ATOM 535 N LYS A 47 -2.573 -0.019 7.495 1.00 1.00 N ATOM 536 CA LYS A 47 -3.238 -1.301 7.696 1.00 1.00 C ATOM 537 C LYS A 47 -4.059 -1.677 6.467 1.00 1.00 C ATOM 538 O LYS A 47 -3.824 -2.715 5.849 1.00 1.00 O ATOM 539 CB LYS A 47 -4.134 -1.251 8.936 1.00 1.00 C ATOM 540 CG LYS A 47 -3.511 -1.895 10.164 1.00 1.00 C ATOM 541 CD LYS A 47 -2.159 -1.283 10.489 1.00 1.00 C ATOM 542 CE LYS A 47 -2.291 0.175 10.899 1.00 1.00 C ATOM 543 NZ LYS A 47 -0.964 0.808 11.137 1.00 1.00 N ATOM 0 H LYS A 47 -2.971 0.754 8.029 1.00 1.00 H new ATOM 0 HA LYS A 47 -2.474 -2.063 7.849 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -4.370 -0.211 9.162 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -5.077 -1.751 8.713 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -4.179 -1.777 11.017 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -3.396 -2.966 9.996 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -1.687 -1.847 11.294 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -1.505 -1.360 9.620 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -2.821 0.724 10.121 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -2.894 0.244 11.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -1.050 1.840 11.045 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -0.633 0.572 12.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -0.280 0.454 10.438 1.00 1.00 H new ATOM 557 N GLU A 48 -5.016 -0.824 6.110 1.00 1.00 N ATOM 558 CA GLU A 48 -5.858 -1.073 4.945 1.00 1.00 C ATOM 559 C GLU A 48 -5.002 -1.202 3.692 1.00 1.00 C ATOM 560 O GLU A 48 -5.208 -2.099 2.876 1.00 1.00 O ATOM 561 CB GLU A 48 -6.881 0.049 4.764 1.00 1.00 C ATOM 562 CG GLU A 48 -7.570 0.463 6.055 1.00 1.00 C ATOM 563 CD GLU A 48 -9.082 0.411 5.953 1.00 1.00 C ATOM 564 OE1 GLU A 48 -9.607 0.574 4.831 1.00 1.00 O ATOM 565 OE2 GLU A 48 -9.741 0.207 6.994 1.00 1.00 O ATOM 0 H GLU A 48 -5.226 0.041 6.608 1.00 1.00 H new ATOM 0 HA GLU A 48 -6.394 -2.008 5.108 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -6.382 0.918 4.334 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -7.636 -0.272 4.047 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -7.242 -0.191 6.863 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -7.262 1.475 6.318 1.00 1.00 H new ATOM 572 N VAL A 49 -4.028 -0.305 3.554 1.00 1.00 N ATOM 573 CA VAL A 49 -3.127 -0.324 2.405 1.00 1.00 C ATOM 574 C VAL A 49 -2.476 -1.693 2.266 1.00 1.00 C ATOM 575 O VAL A 49 -2.746 -2.433 1.318 1.00 1.00 O ATOM 576 CB VAL A 49 -2.017 0.742 2.524 1.00 1.00 C ATOM 577 CG1 VAL A 49 -1.294 0.906 1.196 1.00 1.00 C ATOM 578 CG2 VAL A 49 -2.582 2.074 2.998 1.00 1.00 C ATOM 0 H VAL A 49 -3.843 0.443 4.223 1.00 1.00 H new ATOM 0 HA VAL A 49 -3.730 -0.101 1.525 1.00 1.00 H new ATOM 0 HB VAL A 49 -1.299 0.401 3.270 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -0.515 1.661 1.297 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -0.844 -0.044 0.907 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -2.005 1.218 0.431 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -1.777 2.805 3.072 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -3.328 2.427 2.286 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -3.046 1.945 3.976 1.00 1.00 H new ATOM 588 N LEU A 50 -1.622 -2.024 3.229 1.00 1.00 N ATOM 589 CA LEU A 50 -0.926 -3.303 3.240 1.00 1.00 C ATOM 590 C LEU A 50 -1.910 -4.472 3.158 1.00 1.00 C ATOM 591 O LEU A 50 -1.542 -5.577 2.761 1.00 1.00 O ATOM 592 CB LEU A 50 -0.078 -3.418 4.509 1.00 1.00 C ATOM 593 CG LEU A 50 1.310 -4.029 4.309 1.00 1.00 C ATOM 594 CD1 LEU A 50 2.206 -3.719 5.497 1.00 1.00 C ATOM 595 CD2 LEU A 50 1.209 -5.531 4.096 1.00 1.00 C ATOM 0 H LEU A 50 -1.395 -1.418 4.017 1.00 1.00 H new ATOM 0 HA LEU A 50 -0.279 -3.348 2.364 1.00 1.00 H new ATOM 0 HB2 LEU A 50 0.038 -2.424 4.941 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -0.621 -4.020 5.237 1.00 1.00 H new ATOM 0 HG LEU A 50 1.754 -3.585 3.418 1.00 1.00 H new ATOM 0 HD11 LEU A 50 3.189 -4.162 5.337 1.00 1.00 H new ATOM 0 HD12 LEU A 50 2.308 -2.639 5.604 1.00 1.00 H new ATOM 0 HD13 LEU A 50 1.765 -4.134 6.403 1.00 1.00 H new ATOM 0 HD21 LEU A 50 2.207 -5.947 3.956 1.00 1.00 H new ATOM 0 HD22 LEU A 50 0.743 -5.992 4.967 1.00 1.00 H new ATOM 0 HD23 LEU A 50 0.604 -5.733 3.212 1.00 1.00 H new ATOM 607 N TYR A 51 -3.161 -4.222 3.540 1.00 1.00 N ATOM 608 CA TYR A 51 -4.189 -5.257 3.514 1.00 1.00 C ATOM 609 C TYR A 51 -4.620 -5.588 2.086 1.00 1.00 C ATOM 610 O TYR A 51 -4.606 -6.752 1.680 1.00 1.00 O ATOM 611 CB TYR A 51 -5.404 -4.818 4.334 1.00 1.00 C ATOM 612 CG TYR A 51 -6.415 -5.920 4.557 1.00 1.00 C ATOM 613 CD1 TYR A 51 -6.201 -6.901 5.517 1.00 1.00 C ATOM 614 CD2 TYR A 51 -7.584 -5.979 3.808 1.00 1.00 C ATOM 615 CE1 TYR A 51 -7.123 -7.909 5.724 1.00 1.00 C ATOM 616 CE2 TYR A 51 -8.510 -6.984 4.009 1.00 1.00 C ATOM 617 CZ TYR A 51 -8.275 -7.947 4.968 1.00 1.00 C ATOM 618 OH TYR A 51 -9.195 -8.950 5.172 1.00 1.00 O ATOM 0 H TYR A 51 -3.485 -3.313 3.870 1.00 1.00 H new ATOM 0 HA TYR A 51 -3.760 -6.157 3.954 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -5.064 -4.447 5.301 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.892 -3.986 3.827 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -5.299 -6.875 6.111 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -7.772 -5.227 3.056 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -6.942 -8.664 6.475 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -9.414 -7.016 3.418 1.00 1.00 H new ATOM 0 HH TYR A 51 -9.950 -8.831 4.559 1.00 1.00 H new ATOM 628 N HIS A 52 -5.014 -4.567 1.326 1.00 1.00 N ATOM 629 CA HIS A 52 -5.456 -4.781 -0.051 1.00 1.00 C ATOM 630 C HIS A 52 -4.414 -5.561 -0.846 1.00 1.00 C ATOM 631 O HIS A 52 -4.762 -6.389 -1.685 1.00 1.00 O ATOM 632 CB HIS A 52 -5.764 -3.458 -0.762 1.00 1.00 C ATOM 633 CG HIS A 52 -6.353 -2.404 0.125 1.00 1.00 C ATOM 634 ND1 HIS A 52 -7.559 -2.557 0.775 1.00 1.00 N ATOM 635 CD2 HIS A 52 -5.902 -1.172 0.458 1.00 1.00 C ATOM 636 CE1 HIS A 52 -7.825 -1.464 1.467 1.00 1.00 C ATOM 637 NE2 HIS A 52 -6.834 -0.608 1.294 1.00 1.00 N ATOM 0 H HIS A 52 -5.036 -3.595 1.635 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.375 -5.364 -0.001 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -4.844 -3.073 -1.203 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.454 -3.652 -1.583 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -4.980 -0.717 0.127 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -8.704 -1.298 2.072 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -6.771 0.320 1.713 1.00 1.00 H new ATOM 646 N LEU A 53 -3.133 -5.304 -0.577 1.00 1.00 N ATOM 647 CA LEU A 53 -2.062 -6.007 -1.279 1.00 1.00 C ATOM 648 C LEU A 53 -2.262 -7.513 -1.173 1.00 1.00 C ATOM 649 O LEU A 53 -2.265 -8.221 -2.180 1.00 1.00 O ATOM 650 CB LEU A 53 -0.686 -5.629 -0.717 1.00 1.00 C ATOM 651 CG LEU A 53 -0.124 -4.267 -1.154 1.00 1.00 C ATOM 652 CD1 LEU A 53 -0.667 -3.846 -2.514 1.00 1.00 C ATOM 653 CD2 LEU A 53 -0.427 -3.211 -0.103 1.00 1.00 C ATOM 0 H LEU A 53 -2.816 -4.623 0.113 1.00 1.00 H new ATOM 0 HA LEU A 53 -2.099 -5.708 -2.327 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -0.745 -5.642 0.371 1.00 1.00 H new ATOM 0 HB3 LEU A 53 0.026 -6.402 -1.006 1.00 1.00 H new ATOM 0 HG LEU A 53 0.957 -4.366 -1.251 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -0.247 -2.878 -2.790 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -0.389 -4.588 -3.262 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -1.753 -3.770 -2.464 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -0.023 -2.251 -0.425 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -1.506 -3.126 0.027 1.00 1.00 H new ATOM 0 HD23 LEU A 53 0.031 -3.498 0.844 1.00 1.00 H new ATOM 665 N GLY A 54 -2.448 -7.998 0.053 1.00 1.00 N ATOM 666 CA GLY A 54 -2.667 -9.417 0.259 1.00 1.00 C ATOM 667 C GLY A 54 -3.796 -9.932 -0.608 1.00 1.00 C ATOM 668 O GLY A 54 -3.753 -11.059 -1.102 1.00 1.00 O ATOM 0 H GLY A 54 -2.451 -7.435 0.903 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -1.752 -9.965 0.032 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -2.898 -9.603 1.308 1.00 1.00 H new ATOM 672 N GLN A 55 -4.802 -9.086 -0.806 1.00 1.00 N ATOM 673 CA GLN A 55 -5.947 -9.436 -1.635 1.00 1.00 C ATOM 674 C GLN A 55 -5.617 -9.220 -3.110 1.00 1.00 C ATOM 675 O GLN A 55 -6.164 -9.891 -3.985 1.00 1.00 O ATOM 676 CB GLN A 55 -7.165 -8.597 -1.243 1.00 1.00 C ATOM 677 CG GLN A 55 -7.377 -8.498 0.259 1.00 1.00 C ATOM 678 CD GLN A 55 -8.791 -8.091 0.622 1.00 1.00 C ATOM 679 OE1 GLN A 55 -9.327 -7.121 0.085 1.00 1.00 O ATOM 680 NE2 GLN A 55 -9.404 -8.832 1.538 1.00 1.00 N ATOM 0 H GLN A 55 -4.846 -8.151 -0.402 1.00 1.00 H new ATOM 0 HA GLN A 55 -6.181 -10.489 -1.476 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -7.052 -7.593 -1.653 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -8.056 -9.029 -1.700 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -7.150 -9.460 0.718 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -6.676 -7.774 0.674 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -8.922 -9.627 1.957 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -10.357 -8.606 1.822 1.00 1.00 H new ATOM 689 N TYR A 56 -4.714 -8.278 -3.373 1.00 1.00 N ATOM 690 CA TYR A 56 -4.299 -7.968 -4.736 1.00 1.00 C ATOM 691 C TYR A 56 -3.440 -9.093 -5.306 1.00 1.00 C ATOM 692 O TYR A 56 -3.706 -9.600 -6.396 1.00 1.00 O ATOM 693 CB TYR A 56 -3.520 -6.646 -4.766 1.00 1.00 C ATOM 694 CG TYR A 56 -2.886 -6.347 -6.106 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.618 -5.757 -7.128 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.558 -6.671 -6.354 1.00 1.00 C ATOM 697 CE1 TYR A 56 -3.047 -5.500 -8.358 1.00 1.00 C ATOM 698 CE2 TYR A 56 -0.978 -6.413 -7.580 1.00 1.00 C ATOM 699 CZ TYR A 56 -1.726 -5.828 -8.579 1.00 1.00 C ATOM 700 OH TYR A 56 -1.153 -5.573 -9.803 1.00 1.00 O ATOM 0 H TYR A 56 -4.255 -7.715 -2.656 1.00 1.00 H new ATOM 0 HA TYR A 56 -5.193 -7.867 -5.352 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.194 -5.831 -4.502 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -2.742 -6.675 -4.004 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -4.652 -5.495 -6.957 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -0.970 -7.132 -5.575 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -3.632 -5.044 -9.143 1.00 1.00 H new ATOM 0 HE2 TYR A 56 0.057 -6.668 -7.755 1.00 1.00 H new ATOM 0 HH TYR A 56 -0.486 -6.263 -10.002 1.00 1.00 H new ATOM 710 N ILE A 57 -2.410 -9.479 -4.559 1.00 1.00 N ATOM 711 CA ILE A 57 -1.511 -10.544 -4.988 1.00 1.00 C ATOM 712 C ILE A 57 -2.278 -11.839 -5.235 1.00 1.00 C ATOM 713 O ILE A 57 -2.139 -12.463 -6.287 1.00 1.00 O ATOM 714 CB ILE A 57 -0.404 -10.801 -3.946 1.00 1.00 C ATOM 715 CG1 ILE A 57 0.334 -9.501 -3.622 1.00 1.00 C ATOM 716 CG2 ILE A 57 0.569 -11.858 -4.452 1.00 1.00 C ATOM 717 CD1 ILE A 57 1.428 -9.669 -2.591 1.00 1.00 C ATOM 0 H ILE A 57 -2.178 -9.070 -3.654 1.00 1.00 H new ATOM 0 HA ILE A 57 -1.049 -10.215 -5.919 1.00 1.00 H new ATOM 0 HB ILE A 57 -0.867 -11.172 -3.032 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.768 -9.101 -4.538 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -0.384 -8.765 -3.261 1.00 1.00 H new ATOM 0 HG21 ILE A 57 1.344 -12.027 -3.704 1.00 1.00 H new ATOM 0 HG22 ILE A 57 0.032 -12.789 -4.635 1.00 1.00 H new ATOM 0 HG23 ILE A 57 1.028 -11.516 -5.379 1.00 1.00 H new ATOM 0 HD11 ILE A 57 1.908 -8.707 -2.410 1.00 1.00 H new ATOM 0 HD12 ILE A 57 0.998 -10.040 -1.661 1.00 1.00 H new ATOM 0 HD13 ILE A 57 2.167 -10.381 -2.958 1.00 1.00 H new ATOM 729 N MET A 58 -3.090 -12.237 -4.261 1.00 1.00 N ATOM 730 CA MET A 58 -3.880 -13.456 -4.379 1.00 1.00 C ATOM 731 C MET A 58 -4.835 -13.363 -5.565 1.00 1.00 C ATOM 732 O MET A 58 -5.019 -14.331 -6.304 1.00 1.00 O ATOM 733 CB MET A 58 -4.663 -13.713 -3.089 1.00 1.00 C ATOM 734 CG MET A 58 -5.768 -12.701 -2.832 1.00 1.00 C ATOM 735 SD MET A 58 -6.730 -13.086 -1.357 1.00 1.00 S ATOM 736 CE MET A 58 -7.642 -14.523 -1.913 1.00 1.00 C ATOM 0 H MET A 58 -3.218 -11.734 -3.383 1.00 1.00 H new ATOM 0 HA MET A 58 -3.199 -14.290 -4.546 1.00 1.00 H new ATOM 0 HB2 MET A 58 -5.099 -14.711 -3.132 1.00 1.00 H new ATOM 0 HB3 MET A 58 -3.971 -13.704 -2.247 1.00 1.00 H new ATOM 0 HG2 MET A 58 -5.330 -11.709 -2.727 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.432 -12.666 -3.696 1.00 1.00 H new ATOM 0 HE1 MET A 58 -8.465 -14.720 -1.226 1.00 1.00 H new ATOM 0 HE2 MET A 58 -8.039 -14.338 -2.911 1.00 1.00 H new ATOM 0 HE3 MET A 58 -6.978 -15.387 -1.940 1.00 1.00 H new ATOM 746 N ALA A 59 -5.433 -12.189 -5.746 1.00 1.00 N ATOM 747 CA ALA A 59 -6.361 -11.968 -6.848 1.00 1.00 C ATOM 748 C ALA A 59 -5.628 -12.009 -8.182 1.00 1.00 C ATOM 749 O ALA A 59 -5.940 -12.825 -9.049 1.00 1.00 O ATOM 750 CB ALA A 59 -7.080 -10.639 -6.675 1.00 1.00 C ATOM 0 H ALA A 59 -5.291 -11.378 -5.144 1.00 1.00 H new ATOM 0 HA ALA A 59 -7.103 -12.767 -6.841 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -7.770 -10.488 -7.505 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.636 -10.646 -5.738 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -6.350 -9.830 -6.658 1.00 1.00 H new ATOM 756 N LYS A 60 -4.644 -11.128 -8.338 1.00 1.00 N ATOM 757 CA LYS A 60 -3.859 -11.072 -9.562 1.00 1.00 C ATOM 758 C LYS A 60 -3.132 -12.395 -9.797 1.00 1.00 C ATOM 759 O LYS A 60 -2.790 -12.735 -10.930 1.00 1.00 O ATOM 760 CB LYS A 60 -2.847 -9.928 -9.489 1.00 1.00 C ATOM 761 CG LYS A 60 -3.411 -8.583 -9.918 1.00 1.00 C ATOM 762 CD LYS A 60 -4.666 -8.224 -9.138 1.00 1.00 C ATOM 763 CE LYS A 60 -5.306 -6.950 -9.666 1.00 1.00 C ATOM 764 NZ LYS A 60 -6.462 -7.239 -10.558 1.00 1.00 N ATOM 0 H LYS A 60 -4.373 -10.444 -7.631 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.538 -10.895 -10.396 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -2.477 -9.847 -8.467 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -1.992 -10.171 -10.120 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -2.658 -7.809 -9.771 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -3.639 -8.607 -10.984 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.381 -9.044 -9.200 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -4.417 -8.097 -8.084 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.638 -6.336 -8.829 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.562 -6.369 -10.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.871 -6.345 -10.897 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.141 -7.803 -11.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.183 -7.771 -10.030 1.00 1.00 H new ATOM 778 N GLN A 61 -2.902 -13.138 -8.715 1.00 1.00 N ATOM 779 CA GLN A 61 -2.219 -14.426 -8.793 1.00 1.00 C ATOM 780 C GLN A 61 -0.757 -14.249 -9.192 1.00 1.00 C ATOM 781 O GLN A 61 -0.345 -14.653 -10.280 1.00 1.00 O ATOM 782 CB GLN A 61 -2.929 -15.350 -9.786 1.00 1.00 C ATOM 783 CG GLN A 61 -2.432 -16.787 -9.744 1.00 1.00 C ATOM 784 CD GLN A 61 -3.490 -17.759 -9.258 1.00 1.00 C ATOM 785 OE1 GLN A 61 -3.619 -18.866 -9.781 1.00 1.00 O ATOM 786 NE2 GLN A 61 -4.255 -17.349 -8.252 1.00 1.00 N ATOM 0 H GLN A 61 -3.180 -12.868 -7.772 1.00 1.00 H new ATOM 0 HA GLN A 61 -2.250 -14.882 -7.803 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.999 -15.338 -9.579 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.795 -14.958 -10.794 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -2.103 -17.083 -10.740 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -1.562 -16.847 -9.090 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.113 -16.423 -7.848 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -4.984 -17.960 -7.884 1.00 1.00 H new ATOM 795 N LEU A 62 0.022 -13.645 -8.301 1.00 1.00 N ATOM 796 CA LEU A 62 1.439 -13.415 -8.553 1.00 1.00 C ATOM 797 C LEU A 62 2.312 -14.344 -7.708 1.00 1.00 C ATOM 798 O LEU A 62 3.535 -14.352 -7.846 1.00 1.00 O ATOM 799 CB LEU A 62 1.798 -11.958 -8.260 1.00 1.00 C ATOM 800 CG LEU A 62 0.844 -10.921 -8.854 1.00 1.00 C ATOM 801 CD1 LEU A 62 1.326 -9.514 -8.539 1.00 1.00 C ATOM 802 CD2 LEU A 62 0.710 -11.118 -10.357 1.00 1.00 C ATOM 0 H LEU A 62 -0.305 -13.306 -7.397 1.00 1.00 H new ATOM 0 HA LEU A 62 1.630 -13.630 -9.604 1.00 1.00 H new ATOM 0 HB2 LEU A 62 1.833 -11.819 -7.179 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.801 -11.764 -8.639 1.00 1.00 H new ATOM 0 HG LEU A 62 -0.139 -11.057 -8.402 1.00 1.00 H new ATOM 0 HD11 LEU A 62 0.636 -8.788 -8.969 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.369 -9.378 -7.458 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.319 -9.366 -8.963 1.00 1.00 H new ATOM 0 HD21 LEU A 62 0.027 -10.371 -10.762 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.688 -11.009 -10.827 1.00 1.00 H new ATOM 0 HD23 LEU A 62 0.319 -12.115 -10.560 1.00 1.00 H new ATOM 814 N TYR A 63 1.680 -15.124 -6.832 1.00 1.00 N ATOM 815 CA TYR A 63 2.406 -16.049 -5.970 1.00 1.00 C ATOM 816 C TYR A 63 2.776 -17.321 -6.727 1.00 1.00 C ATOM 817 O TYR A 63 2.184 -17.636 -7.759 1.00 1.00 O ATOM 818 CB TYR A 63 1.561 -16.401 -4.744 1.00 1.00 C ATOM 819 CG TYR A 63 0.211 -16.988 -5.091 1.00 1.00 C ATOM 820 CD1 TYR A 63 0.101 -18.288 -5.570 1.00 1.00 C ATOM 821 CD2 TYR A 63 -0.951 -16.243 -4.942 1.00 1.00 C ATOM 822 CE1 TYR A 63 -1.129 -18.827 -5.892 1.00 1.00 C ATOM 823 CE2 TYR A 63 -2.186 -16.776 -5.262 1.00 1.00 C ATOM 824 CZ TYR A 63 -2.269 -18.068 -5.737 1.00 1.00 C ATOM 825 OH TYR A 63 -3.497 -18.602 -6.056 1.00 1.00 O ATOM 0 H TYR A 63 0.668 -15.132 -6.702 1.00 1.00 H new ATOM 0 HA TYR A 63 3.325 -15.561 -5.645 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.110 -17.112 -4.126 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.415 -15.503 -4.143 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.992 -18.886 -5.692 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -0.889 -15.231 -4.570 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -1.197 -19.839 -6.264 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.081 -16.184 -5.141 1.00 1.00 H new ATOM 0 HH TYR A 63 -4.206 -18.044 -5.673 1.00 1.00 H new ATOM 835 N ASP A 64 3.759 -18.049 -6.206 1.00 1.00 N ATOM 836 CA ASP A 64 4.207 -19.288 -6.832 1.00 1.00 C ATOM 837 C ASP A 64 3.422 -20.483 -6.295 1.00 1.00 C ATOM 838 O ASP A 64 3.052 -20.518 -5.122 1.00 1.00 O ATOM 839 CB ASP A 64 5.705 -19.490 -6.595 1.00 1.00 C ATOM 840 CG ASP A 64 6.221 -20.780 -7.203 1.00 1.00 C ATOM 841 OD1 ASP A 64 5.873 -21.862 -6.685 1.00 1.00 O ATOM 842 OD2 ASP A 64 6.974 -20.708 -8.198 1.00 1.00 O ATOM 0 H ASP A 64 4.260 -17.802 -5.352 1.00 1.00 H new ATOM 0 HA ASP A 64 4.026 -19.213 -7.904 1.00 1.00 H new ATOM 0 HB2 ASP A 64 6.253 -18.648 -7.018 1.00 1.00 H new ATOM 0 HB3 ASP A 64 5.903 -19.493 -5.523 1.00 1.00 H new ATOM 847 N GLU A 65 3.169 -21.457 -7.164 1.00 1.00 N ATOM 848 CA GLU A 65 2.425 -22.652 -6.780 1.00 1.00 C ATOM 849 C GLU A 65 3.143 -23.416 -5.670 1.00 1.00 C ATOM 850 O GLU A 65 2.592 -23.619 -4.589 1.00 1.00 O ATOM 851 CB GLU A 65 2.222 -23.561 -7.995 1.00 1.00 C ATOM 852 CG GLU A 65 0.796 -23.560 -8.522 1.00 1.00 C ATOM 853 CD GLU A 65 0.117 -24.908 -8.375 1.00 1.00 C ATOM 854 OE1 GLU A 65 0.810 -25.939 -8.507 1.00 1.00 O ATOM 855 OE2 GLU A 65 -1.107 -24.933 -8.128 1.00 1.00 O ATOM 0 H GLU A 65 3.468 -21.442 -8.139 1.00 1.00 H new ATOM 0 HA GLU A 65 1.453 -22.336 -6.402 1.00 1.00 H new ATOM 0 HB2 GLU A 65 2.895 -23.245 -8.792 1.00 1.00 H new ATOM 0 HB3 GLU A 65 2.501 -24.580 -7.727 1.00 1.00 H new ATOM 0 HG2 GLU A 65 0.217 -22.806 -7.989 1.00 1.00 H new ATOM 0 HG3 GLU A 65 0.802 -23.273 -9.574 1.00 1.00 H new ATOM 862 N LYS A 66 4.375 -23.839 -5.944 1.00 1.00 N ATOM 863 CA LYS A 66 5.162 -24.582 -4.965 1.00 1.00 C ATOM 864 C LYS A 66 5.279 -23.805 -3.657 1.00 1.00 C ATOM 865 O LYS A 66 4.914 -24.306 -2.593 1.00 1.00 O ATOM 866 CB LYS A 66 6.552 -24.888 -5.523 1.00 1.00 C ATOM 867 CG LYS A 66 6.522 -25.641 -6.843 1.00 1.00 C ATOM 868 CD LYS A 66 6.788 -24.718 -8.021 1.00 1.00 C ATOM 869 CE LYS A 66 5.868 -25.028 -9.191 1.00 1.00 C ATOM 870 NZ LYS A 66 5.594 -23.820 -10.018 1.00 1.00 N ATOM 0 H LYS A 66 4.848 -23.680 -6.834 1.00 1.00 H new ATOM 0 HA LYS A 66 4.649 -25.522 -4.760 1.00 1.00 H new ATOM 0 HB2 LYS A 66 7.094 -23.952 -5.660 1.00 1.00 H new ATOM 0 HB3 LYS A 66 7.108 -25.475 -4.791 1.00 1.00 H new ATOM 0 HG2 LYS A 66 7.269 -26.435 -6.826 1.00 1.00 H new ATOM 0 HG3 LYS A 66 5.551 -26.120 -6.967 1.00 1.00 H new ATOM 0 HD2 LYS A 66 6.648 -23.682 -7.712 1.00 1.00 H new ATOM 0 HD3 LYS A 66 7.826 -24.819 -8.337 1.00 1.00 H new ATOM 0 HE2 LYS A 66 6.321 -25.799 -9.814 1.00 1.00 H new ATOM 0 HE3 LYS A 66 4.928 -25.432 -8.816 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 4.963 -24.074 -10.805 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 5.139 -23.093 -9.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 6.488 -23.449 -10.397 1.00 1.00 H new ATOM 884 N GLN A 67 5.779 -22.576 -3.743 1.00 1.00 N ATOM 885 CA GLN A 67 5.929 -21.731 -2.564 1.00 1.00 C ATOM 886 C GLN A 67 4.950 -20.563 -2.618 1.00 1.00 C ATOM 887 O GLN A 67 4.943 -19.790 -3.574 1.00 1.00 O ATOM 888 CB GLN A 67 7.365 -21.210 -2.445 1.00 1.00 C ATOM 889 CG GLN A 67 7.983 -20.786 -3.769 1.00 1.00 C ATOM 890 CD GLN A 67 8.494 -21.957 -4.587 1.00 1.00 C ATOM 891 OE1 GLN A 67 8.187 -22.079 -5.773 1.00 1.00 O ATOM 892 NE2 GLN A 67 9.283 -22.821 -3.960 1.00 1.00 N ATOM 0 H GLN A 67 6.086 -22.144 -4.615 1.00 1.00 H new ATOM 0 HA GLN A 67 5.708 -22.335 -1.684 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.377 -20.360 -1.762 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.986 -21.986 -1.998 1.00 1.00 H new ATOM 0 HG2 GLN A 67 7.241 -20.239 -4.351 1.00 1.00 H new ATOM 0 HG3 GLN A 67 8.806 -20.098 -3.576 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.512 -22.681 -2.976 1.00 1.00 H new ATOM 0 HE22 GLN A 67 9.660 -23.624 -4.462 1.00 1.00 H new ATOM 901 N GLN A 68 4.118 -20.446 -1.588 1.00 1.00 N ATOM 902 CA GLN A 68 3.129 -19.376 -1.524 1.00 1.00 C ATOM 903 C GLN A 68 3.731 -18.090 -0.963 1.00 1.00 C ATOM 904 O GLN A 68 3.141 -17.017 -1.086 1.00 1.00 O ATOM 905 CB GLN A 68 1.936 -19.809 -0.670 1.00 1.00 C ATOM 906 CG GLN A 68 0.894 -20.602 -1.441 1.00 1.00 C ATOM 907 CD GLN A 68 1.191 -22.089 -1.463 1.00 1.00 C ATOM 908 OE1 GLN A 68 1.471 -22.693 -0.427 1.00 1.00 O ATOM 909 NE2 GLN A 68 1.132 -22.687 -2.647 1.00 1.00 N ATOM 0 H GLN A 68 4.109 -21.078 -0.787 1.00 1.00 H new ATOM 0 HA GLN A 68 2.792 -19.175 -2.541 1.00 1.00 H new ATOM 0 HB2 GLN A 68 2.296 -20.412 0.164 1.00 1.00 H new ATOM 0 HB3 GLN A 68 1.465 -18.924 -0.243 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -0.086 -20.438 -0.994 1.00 1.00 H new ATOM 0 HG3 GLN A 68 0.844 -20.230 -2.464 1.00 1.00 H new ATOM 0 HE21 GLN A 68 0.896 -22.147 -3.480 1.00 1.00 H new ATOM 0 HE22 GLN A 68 1.323 -23.686 -2.724 1.00 1.00 H new ATOM 918 N HIS A 69 4.905 -18.199 -0.347 1.00 1.00 N ATOM 919 CA HIS A 69 5.571 -17.035 0.227 1.00 1.00 C ATOM 920 C HIS A 69 6.483 -16.354 -0.795 1.00 1.00 C ATOM 921 O HIS A 69 7.282 -15.485 -0.443 1.00 1.00 O ATOM 922 CB HIS A 69 6.372 -17.441 1.469 1.00 1.00 C ATOM 923 CG HIS A 69 7.641 -18.174 1.160 1.00 1.00 C ATOM 924 ND1 HIS A 69 7.668 -19.480 0.717 1.00 1.00 N ATOM 925 CD2 HIS A 69 8.934 -17.776 1.230 1.00 1.00 C ATOM 926 CE1 HIS A 69 8.922 -19.854 0.529 1.00 1.00 C ATOM 927 NE2 HIS A 69 9.708 -18.838 0.833 1.00 1.00 N ATOM 0 H HIS A 69 5.412 -19.077 -0.233 1.00 1.00 H new ATOM 0 HA HIS A 69 4.803 -16.319 0.518 1.00 1.00 H new ATOM 0 HB2 HIS A 69 6.612 -16.546 2.043 1.00 1.00 H new ATOM 0 HB3 HIS A 69 5.746 -18.069 2.103 1.00 1.00 H new ATOM 0 HD2 HIS A 69 9.290 -16.805 1.540 1.00 1.00 H new ATOM 0 HE1 HIS A 69 9.248 -20.825 0.185 1.00 1.00 H new ATOM 0 HE2 HIS A 69 10.727 -18.841 0.781 1.00 1.00 H new ATOM 936 N ILE A 70 6.356 -16.747 -2.061 1.00 1.00 N ATOM 937 CA ILE A 70 7.165 -16.167 -3.126 1.00 1.00 C ATOM 938 C ILE A 70 6.281 -15.541 -4.198 1.00 1.00 C ATOM 939 O ILE A 70 5.320 -16.154 -4.662 1.00 1.00 O ATOM 940 CB ILE A 70 8.082 -17.223 -3.778 1.00 1.00 C ATOM 941 CG1 ILE A 70 9.021 -17.838 -2.736 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.881 -16.607 -4.921 1.00 1.00 C ATOM 943 CD1 ILE A 70 9.720 -16.816 -1.863 1.00 1.00 C ATOM 0 H ILE A 70 5.701 -17.464 -2.372 1.00 1.00 H new ATOM 0 HA ILE A 70 7.786 -15.395 -2.672 1.00 1.00 H new ATOM 0 HB ILE A 70 7.455 -18.016 -4.186 1.00 1.00 H new ATOM 0 HG12 ILE A 70 8.450 -18.515 -2.101 1.00 1.00 H new ATOM 0 HG13 ILE A 70 9.772 -18.439 -3.248 1.00 1.00 H new ATOM 0 HG21 ILE A 70 9.522 -17.367 -5.368 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.197 -16.219 -5.676 1.00 1.00 H new ATOM 0 HG23 ILE A 70 9.497 -15.793 -4.537 1.00 1.00 H new ATOM 0 HD11 ILE A 70 10.367 -17.328 -1.151 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.320 -16.154 -2.487 1.00 1.00 H new ATOM 0 HD13 ILE A 70 8.977 -16.230 -1.322 1.00 1.00 H new ATOM 955 N VAL A 71 6.615 -14.316 -4.587 1.00 1.00 N ATOM 956 CA VAL A 71 5.853 -13.605 -5.605 1.00 1.00 C ATOM 957 C VAL A 71 6.760 -13.105 -6.723 1.00 1.00 C ATOM 958 O VAL A 71 7.447 -12.095 -6.569 1.00 1.00 O ATOM 959 CB VAL A 71 5.097 -12.406 -5.005 1.00 1.00 C ATOM 960 CG1 VAL A 71 4.134 -11.824 -6.027 1.00 1.00 C ATOM 961 CG2 VAL A 71 4.362 -12.815 -3.734 1.00 1.00 C ATOM 0 H VAL A 71 7.408 -13.795 -4.213 1.00 1.00 H new ATOM 0 HA VAL A 71 5.134 -14.315 -6.012 1.00 1.00 H new ATOM 0 HB VAL A 71 5.821 -11.636 -4.740 1.00 1.00 H new ATOM 0 HG11 VAL A 71 3.606 -10.977 -5.589 1.00 1.00 H new ATOM 0 HG12 VAL A 71 4.691 -11.491 -6.903 1.00 1.00 H new ATOM 0 HG13 VAL A 71 3.413 -12.586 -6.323 1.00 1.00 H new ATOM 0 HG21 VAL A 71 3.834 -11.953 -3.326 1.00 1.00 H new ATOM 0 HG22 VAL A 71 3.646 -13.603 -3.966 1.00 1.00 H new ATOM 0 HG23 VAL A 71 5.080 -13.182 -3.000 1.00 1.00 H new ATOM 971 N HIS A 72 6.757 -13.810 -7.849 1.00 1.00 N ATOM 972 CA HIS A 72 7.581 -13.422 -8.988 1.00 1.00 C ATOM 973 C HIS A 72 6.748 -13.314 -10.260 1.00 1.00 C ATOM 974 O HIS A 72 6.463 -14.315 -10.918 1.00 1.00 O ATOM 975 CB HIS A 72 8.722 -14.421 -9.192 1.00 1.00 C ATOM 976 CG HIS A 72 8.299 -15.852 -9.078 1.00 1.00 C ATOM 977 ND1 HIS A 72 7.010 -16.279 -9.317 1.00 1.00 N ATOM 978 CD2 HIS A 72 9.004 -16.959 -8.746 1.00 1.00 C ATOM 979 CE1 HIS A 72 6.941 -17.585 -9.137 1.00 1.00 C ATOM 980 NE2 HIS A 72 8.137 -18.022 -8.791 1.00 1.00 N ATOM 0 H HIS A 72 6.196 -14.649 -7.997 1.00 1.00 H new ATOM 0 HA HIS A 72 8.004 -12.441 -8.772 1.00 1.00 H new ATOM 0 HB2 HIS A 72 9.163 -14.259 -10.176 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.502 -14.223 -8.457 1.00 1.00 H new ATOM 0 HD1 HIS A 72 6.231 -15.679 -9.590 1.00 1.00 H new ATOM 0 HD2 HIS A 72 10.053 -16.998 -8.493 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.056 -18.193 -9.253 1.00 1.00 H new ATOM 989 N CYS A 73 6.369 -12.088 -10.602 1.00 1.00 N ATOM 990 CA CYS A 73 5.578 -11.831 -11.798 1.00 1.00 C ATOM 991 C CYS A 73 6.207 -10.708 -12.616 1.00 1.00 C ATOM 992 O CYS A 73 6.093 -9.534 -12.263 1.00 1.00 O ATOM 993 CB CYS A 73 4.141 -11.471 -11.416 1.00 1.00 C ATOM 994 SG CYS A 73 2.899 -12.603 -12.084 1.00 1.00 S ATOM 0 H CYS A 73 6.599 -11.252 -10.064 1.00 1.00 H new ATOM 0 HA CYS A 73 5.560 -12.736 -12.406 1.00 1.00 H new ATOM 0 HB2 CYS A 73 4.057 -11.456 -10.329 1.00 1.00 H new ATOM 0 HB3 CYS A 73 3.924 -10.462 -11.766 1.00 1.00 H new ATOM 0 HG CYS A 73 1.908 -11.919 -12.574 1.00 1.00 H new ATOM 1000 N SER A 74 6.885 -11.072 -13.700 1.00 1.00 N ATOM 1001 CA SER A 74 7.542 -10.083 -14.547 1.00 1.00 C ATOM 1002 C SER A 74 6.545 -9.124 -15.161 1.00 1.00 C ATOM 1003 O SER A 74 6.738 -7.909 -15.099 1.00 1.00 O ATOM 1004 CB SER A 74 8.362 -10.769 -15.641 1.00 1.00 C ATOM 1005 OG SER A 74 8.982 -9.816 -16.487 1.00 1.00 O ATOM 0 H SER A 74 6.993 -12.037 -14.011 1.00 1.00 H new ATOM 0 HA SER A 74 8.214 -9.505 -13.913 1.00 1.00 H new ATOM 0 HB2 SER A 74 9.122 -11.405 -15.186 1.00 1.00 H new ATOM 0 HB3 SER A 74 7.715 -11.418 -16.232 1.00 1.00 H new ATOM 0 HG SER A 74 9.501 -10.280 -17.177 1.00 1.00 H new ATOM 1011 N ASN A 75 5.469 -9.644 -15.731 1.00 1.00 N ATOM 1012 CA ASN A 75 4.475 -8.763 -16.308 1.00 1.00 C ATOM 1013 C ASN A 75 3.331 -8.576 -15.329 1.00 1.00 C ATOM 1014 O ASN A 75 2.374 -9.351 -15.310 1.00 1.00 O ATOM 1015 CB ASN A 75 3.952 -9.333 -17.627 1.00 1.00 C ATOM 1016 CG ASN A 75 3.377 -10.727 -17.468 1.00 1.00 C ATOM 1017 OD1 ASN A 75 3.736 -11.457 -16.544 1.00 1.00 O ATOM 1018 ND2 ASN A 75 2.479 -11.103 -18.371 1.00 1.00 N ATOM 0 H ASN A 75 5.268 -10.641 -15.804 1.00 1.00 H new ATOM 0 HA ASN A 75 4.936 -7.797 -16.512 1.00 1.00 H new ATOM 0 HB2 ASN A 75 3.185 -8.670 -18.027 1.00 1.00 H new ATOM 0 HB3 ASN A 75 4.763 -9.358 -18.355 1.00 1.00 H new ATOM 0 HD21 ASN A 75 2.057 -12.030 -18.315 1.00 1.00 H new ATOM 0 HD22 ASN A 75 2.211 -10.465 -19.120 1.00 1.00 H new ATOM 1025 N ASP A 76 3.438 -7.530 -14.524 1.00 1.00 N ATOM 1026 CA ASP A 76 2.409 -7.218 -13.539 1.00 1.00 C ATOM 1027 C ASP A 76 2.523 -5.774 -13.055 1.00 1.00 C ATOM 1028 O ASP A 76 3.603 -5.334 -12.662 1.00 1.00 O ATOM 1029 CB ASP A 76 2.507 -8.173 -12.350 1.00 1.00 C ATOM 1030 CG ASP A 76 1.198 -8.283 -11.594 1.00 1.00 C ATOM 1031 OD1 ASP A 76 0.293 -8.998 -12.075 1.00 1.00 O ATOM 1032 OD2 ASP A 76 1.077 -7.654 -10.523 1.00 1.00 O ATOM 0 H ASP A 76 4.226 -6.882 -14.532 1.00 1.00 H new ATOM 0 HA ASP A 76 1.439 -7.340 -14.021 1.00 1.00 H new ATOM 0 HB2 ASP A 76 2.805 -9.160 -12.703 1.00 1.00 H new ATOM 0 HB3 ASP A 76 3.288 -7.828 -11.672 1.00 1.00 H new ATOM 1037 N PRO A 77 1.409 -5.013 -13.062 1.00 1.00 N ATOM 1038 CA PRO A 77 1.406 -3.624 -12.608 1.00 1.00 C ATOM 1039 C PRO A 77 2.221 -3.444 -11.330 1.00 1.00 C ATOM 1040 O PRO A 77 2.823 -2.395 -11.103 1.00 1.00 O ATOM 1041 CB PRO A 77 -0.075 -3.318 -12.333 1.00 1.00 C ATOM 1042 CG PRO A 77 -0.860 -4.513 -12.785 1.00 1.00 C ATOM 1043 CD PRO A 77 0.079 -5.442 -13.506 1.00 1.00 C ATOM 0 HA PRO A 77 1.854 -2.960 -13.347 1.00 1.00 H new ATOM 0 HB2 PRO A 77 -0.239 -3.127 -11.272 1.00 1.00 H new ATOM 0 HB3 PRO A 77 -0.390 -2.424 -12.870 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -1.313 -5.017 -11.931 1.00 1.00 H new ATOM 0 HG3 PRO A 77 -1.674 -4.208 -13.443 1.00 1.00 H new ATOM 0 HD2 PRO A 77 -0.112 -6.483 -13.247 1.00 1.00 H new ATOM 0 HD3 PRO A 77 -0.028 -5.358 -14.587 1.00 1.00 H new ATOM 1051 N LEU A 78 2.237 -4.485 -10.503 1.00 1.00 N ATOM 1052 CA LEU A 78 2.978 -4.456 -9.249 1.00 1.00 C ATOM 1053 C LEU A 78 4.479 -4.435 -9.514 1.00 1.00 C ATOM 1054 O LEU A 78 5.213 -3.639 -8.929 1.00 1.00 O ATOM 1055 CB LEU A 78 2.616 -5.671 -8.394 1.00 1.00 C ATOM 1056 CG LEU A 78 2.634 -5.428 -6.885 1.00 1.00 C ATOM 1057 CD1 LEU A 78 1.488 -4.516 -6.477 1.00 1.00 C ATOM 1058 CD2 LEU A 78 2.560 -6.749 -6.133 1.00 1.00 C ATOM 0 H LEU A 78 1.744 -5.360 -10.680 1.00 1.00 H new ATOM 0 HA LEU A 78 2.707 -3.548 -8.710 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.622 -6.014 -8.680 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.310 -6.479 -8.625 1.00 1.00 H new ATOM 0 HG LEU A 78 3.572 -4.936 -6.626 1.00 1.00 H new ATOM 0 HD11 LEU A 78 1.517 -4.355 -5.399 1.00 1.00 H new ATOM 0 HD12 LEU A 78 1.584 -3.559 -6.990 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.540 -4.980 -6.749 1.00 1.00 H new ATOM 0 HD21 LEU A 78 2.574 -6.558 -5.060 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.638 -7.267 -6.398 1.00 1.00 H new ATOM 0 HD23 LEU A 78 3.415 -7.369 -6.402 1.00 1.00 H new ATOM 1070 N GLY A 79 4.928 -5.316 -10.403 1.00 1.00 N ATOM 1071 CA GLY A 79 6.338 -5.383 -10.735 1.00 1.00 C ATOM 1072 C GLY A 79 6.858 -4.079 -11.306 1.00 1.00 C ATOM 1073 O GLY A 79 7.911 -3.591 -10.897 1.00 1.00 O ATOM 0 H GLY A 79 4.339 -5.985 -10.899 1.00 1.00 H new ATOM 0 HA2 GLY A 79 6.907 -5.638 -9.841 1.00 1.00 H new ATOM 0 HA3 GLY A 79 6.501 -6.184 -11.456 1.00 1.00 H new ATOM 1077 N GLU A 80 6.116 -3.513 -12.252 1.00 1.00 N ATOM 1078 CA GLU A 80 6.508 -2.255 -12.876 1.00 1.00 C ATOM 1079 C GLU A 80 6.579 -1.136 -11.839 1.00 1.00 C ATOM 1080 O GLU A 80 7.301 -0.155 -12.018 1.00 1.00 O ATOM 1081 CB GLU A 80 5.529 -1.891 -14.002 1.00 1.00 C ATOM 1082 CG GLU A 80 4.267 -1.183 -13.530 1.00 1.00 C ATOM 1083 CD GLU A 80 4.266 0.295 -13.868 1.00 1.00 C ATOM 1084 OE1 GLU A 80 5.307 0.953 -13.656 1.00 1.00 O ATOM 1085 OE2 GLU A 80 3.226 0.795 -14.345 1.00 1.00 O ATOM 0 H GLU A 80 5.242 -3.905 -12.603 1.00 1.00 H new ATOM 0 HA GLU A 80 7.501 -2.378 -13.308 1.00 1.00 H new ATOM 0 HB2 GLU A 80 6.042 -1.253 -14.722 1.00 1.00 H new ATOM 0 HB3 GLU A 80 5.245 -2.802 -14.529 1.00 1.00 H new ATOM 0 HG2 GLU A 80 3.397 -1.657 -13.986 1.00 1.00 H new ATOM 0 HG3 GLU A 80 4.168 -1.305 -12.451 1.00 1.00 H new ATOM 1092 N LEU A 81 5.827 -1.294 -10.752 1.00 1.00 N ATOM 1093 CA LEU A 81 5.805 -0.302 -9.684 1.00 1.00 C ATOM 1094 C LEU A 81 7.032 -0.440 -8.791 1.00 1.00 C ATOM 1095 O LEU A 81 7.841 0.482 -8.681 1.00 1.00 O ATOM 1096 CB LEU A 81 4.535 -0.459 -8.846 1.00 1.00 C ATOM 1097 CG LEU A 81 4.411 0.505 -7.663 1.00 1.00 C ATOM 1098 CD1 LEU A 81 4.644 1.942 -8.109 1.00 1.00 C ATOM 1099 CD2 LEU A 81 3.048 0.362 -7.003 1.00 1.00 C ATOM 0 H LEU A 81 5.225 -2.101 -10.589 1.00 1.00 H new ATOM 0 HA LEU A 81 5.816 0.688 -10.139 1.00 1.00 H new ATOM 0 HB2 LEU A 81 3.671 -0.324 -9.496 1.00 1.00 H new ATOM 0 HB3 LEU A 81 4.492 -1.480 -8.468 1.00 1.00 H new ATOM 0 HG LEU A 81 5.178 0.250 -6.931 1.00 1.00 H new ATOM 0 HD11 LEU A 81 4.551 2.609 -7.252 1.00 1.00 H new ATOM 0 HD12 LEU A 81 5.644 2.034 -8.533 1.00 1.00 H new ATOM 0 HD13 LEU A 81 3.904 2.214 -8.862 1.00 1.00 H new ATOM 0 HD21 LEU A 81 2.976 1.054 -6.164 1.00 1.00 H new ATOM 0 HD22 LEU A 81 2.267 0.589 -7.729 1.00 1.00 H new ATOM 0 HD23 LEU A 81 2.923 -0.659 -6.643 1.00 1.00 H new ATOM 1111 N PHE A 82 7.163 -1.599 -8.154 1.00 1.00 N ATOM 1112 CA PHE A 82 8.293 -1.861 -7.269 1.00 1.00 C ATOM 1113 C PHE A 82 9.603 -1.894 -8.050 1.00 1.00 C ATOM 1114 O PHE A 82 10.669 -1.609 -7.505 1.00 1.00 O ATOM 1115 CB PHE A 82 8.094 -3.186 -6.529 1.00 1.00 C ATOM 1116 CG PHE A 82 6.887 -3.206 -5.632 1.00 1.00 C ATOM 1117 CD1 PHE A 82 6.523 -2.081 -4.907 1.00 1.00 C ATOM 1118 CD2 PHE A 82 6.116 -4.351 -5.515 1.00 1.00 C ATOM 1119 CE1 PHE A 82 5.414 -2.099 -4.083 1.00 1.00 C ATOM 1120 CE2 PHE A 82 5.006 -4.375 -4.692 1.00 1.00 C ATOM 1121 CZ PHE A 82 4.655 -3.247 -3.975 1.00 1.00 C ATOM 0 H PHE A 82 6.502 -2.371 -8.234 1.00 1.00 H new ATOM 0 HA PHE A 82 8.345 -1.051 -6.542 1.00 1.00 H new ATOM 0 HB2 PHE A 82 8.005 -3.990 -7.260 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.982 -3.395 -5.932 1.00 1.00 H new ATOM 0 HD1 PHE A 82 7.113 -1.180 -4.987 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.386 -5.235 -6.073 1.00 1.00 H new ATOM 0 HE1 PHE A 82 5.141 -1.216 -3.524 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.414 -5.274 -4.609 1.00 1.00 H new ATOM 0 HZ PHE A 82 3.788 -3.264 -3.331 1.00 1.00 H new ATOM 1131 N GLY A 83 9.517 -2.243 -9.331 1.00 1.00 N ATOM 1132 CA GLY A 83 10.704 -2.304 -10.163 1.00 1.00 C ATOM 1133 C GLY A 83 11.456 -3.611 -10.009 1.00 1.00 C ATOM 1134 O GLY A 83 12.672 -3.660 -10.193 1.00 1.00 O ATOM 0 H GLY A 83 8.647 -2.484 -9.806 1.00 1.00 H new ATOM 0 HA2 GLY A 83 10.419 -2.174 -11.207 1.00 1.00 H new ATOM 0 HA3 GLY A 83 11.365 -1.476 -9.908 1.00 1.00 H new ATOM 1138 N VAL A 84 10.732 -4.674 -9.670 1.00 1.00 N ATOM 1139 CA VAL A 84 11.342 -5.986 -9.492 1.00 1.00 C ATOM 1140 C VAL A 84 10.515 -7.073 -10.171 1.00 1.00 C ATOM 1141 O VAL A 84 9.344 -6.868 -10.491 1.00 1.00 O ATOM 1142 CB VAL A 84 11.504 -6.335 -8.000 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.449 -5.356 -7.323 1.00 1.00 C ATOM 1144 CG2 VAL A 84 10.151 -6.351 -7.304 1.00 1.00 C ATOM 0 H VAL A 84 9.724 -4.652 -9.514 1.00 1.00 H new ATOM 0 HA VAL A 84 12.328 -5.941 -9.954 1.00 1.00 H new ATOM 0 HB VAL A 84 11.936 -7.333 -7.924 1.00 1.00 H new ATOM 0 HG11 VAL A 84 12.551 -5.618 -6.270 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.426 -5.401 -7.805 1.00 1.00 H new ATOM 0 HG13 VAL A 84 12.049 -4.346 -7.408 1.00 1.00 H new ATOM 0 HG21 VAL A 84 10.286 -6.599 -6.251 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.687 -5.368 -7.388 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.509 -7.097 -7.773 1.00 1.00 H new ATOM 1154 N GLN A 85 11.133 -8.229 -10.390 1.00 1.00 N ATOM 1155 CA GLN A 85 10.458 -9.348 -11.032 1.00 1.00 C ATOM 1156 C GLN A 85 10.097 -10.426 -10.012 1.00 1.00 C ATOM 1157 O GLN A 85 9.155 -11.192 -10.214 1.00 1.00 O ATOM 1158 CB GLN A 85 11.347 -9.937 -12.129 1.00 1.00 C ATOM 1159 CG GLN A 85 10.771 -11.186 -12.776 1.00 1.00 C ATOM 1160 CD GLN A 85 11.498 -11.571 -14.050 1.00 1.00 C ATOM 1161 OE1 GLN A 85 12.045 -12.669 -14.159 1.00 1.00 O ATOM 1162 NE2 GLN A 85 11.507 -10.667 -15.023 1.00 1.00 N ATOM 0 H GLN A 85 12.102 -8.414 -10.131 1.00 1.00 H new ATOM 0 HA GLN A 85 9.535 -8.980 -11.479 1.00 1.00 H new ATOM 0 HB2 GLN A 85 11.509 -9.182 -12.898 1.00 1.00 H new ATOM 0 HB3 GLN A 85 12.323 -10.175 -11.705 1.00 1.00 H new ATOM 0 HG2 GLN A 85 10.822 -12.014 -12.069 1.00 1.00 H new ATOM 0 HG3 GLN A 85 9.717 -11.022 -12.999 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.041 -9.770 -14.890 1.00 1.00 H new ATOM 0 HE22 GLN A 85 11.980 -10.870 -15.904 1.00 1.00 H new ATOM 1171 N GLU A 86 10.851 -10.481 -8.918 1.00 1.00 N ATOM 1172 CA GLU A 86 10.607 -11.467 -7.871 1.00 1.00 C ATOM 1173 C GLU A 86 10.949 -10.901 -6.497 1.00 1.00 C ATOM 1174 O GLU A 86 11.905 -10.139 -6.350 1.00 1.00 O ATOM 1175 CB GLU A 86 11.427 -12.732 -8.132 1.00 1.00 C ATOM 1176 CG GLU A 86 12.927 -12.490 -8.154 1.00 1.00 C ATOM 1177 CD GLU A 86 13.727 -13.772 -8.030 1.00 1.00 C ATOM 1178 OE1 GLU A 86 13.313 -14.789 -8.627 1.00 1.00 O ATOM 1179 OE2 GLU A 86 14.766 -13.759 -7.338 1.00 1.00 O ATOM 0 H GLU A 86 11.635 -9.855 -8.734 1.00 1.00 H new ATOM 0 HA GLU A 86 9.547 -11.719 -7.886 1.00 1.00 H new ATOM 0 HB2 GLU A 86 11.197 -13.469 -7.363 1.00 1.00 H new ATOM 0 HB3 GLU A 86 11.123 -13.162 -9.086 1.00 1.00 H new ATOM 0 HG2 GLU A 86 13.196 -11.987 -9.082 1.00 1.00 H new ATOM 0 HG3 GLU A 86 13.195 -11.819 -7.338 1.00 1.00 H new ATOM 1186 N PHE A 87 10.164 -11.279 -5.494 1.00 1.00 N ATOM 1187 CA PHE A 87 10.387 -10.807 -4.132 1.00 1.00 C ATOM 1188 C PHE A 87 9.673 -11.697 -3.120 1.00 1.00 C ATOM 1189 O PHE A 87 8.472 -11.945 -3.235 1.00 1.00 O ATOM 1190 CB PHE A 87 9.909 -9.361 -3.986 1.00 1.00 C ATOM 1191 CG PHE A 87 8.429 -9.194 -4.183 1.00 1.00 C ATOM 1192 CD1 PHE A 87 7.901 -9.030 -5.453 1.00 1.00 C ATOM 1193 CD2 PHE A 87 7.568 -9.199 -3.098 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.540 -8.875 -5.637 1.00 1.00 C ATOM 1195 CE2 PHE A 87 6.206 -9.045 -3.275 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.691 -8.883 -4.547 1.00 1.00 C ATOM 0 H PHE A 87 9.369 -11.910 -5.598 1.00 1.00 H new ATOM 0 HA PHE A 87 11.458 -10.851 -3.932 1.00 1.00 H new ATOM 0 HB2 PHE A 87 10.179 -8.996 -2.995 1.00 1.00 H new ATOM 0 HB3 PHE A 87 10.436 -8.738 -4.709 1.00 1.00 H new ATOM 0 HD1 PHE A 87 8.560 -9.023 -6.309 1.00 1.00 H new ATOM 0 HD2 PHE A 87 7.966 -9.325 -2.102 1.00 1.00 H new ATOM 0 HE1 PHE A 87 6.140 -8.748 -6.632 1.00 1.00 H new ATOM 0 HE2 PHE A 87 5.545 -9.051 -2.421 1.00 1.00 H new ATOM 0 HZ PHE A 87 4.627 -8.763 -4.689 1.00 1.00 H new ATOM 1206 N SER A 88 10.418 -12.173 -2.129 1.00 1.00 N ATOM 1207 CA SER A 88 9.856 -13.033 -1.094 1.00 1.00 C ATOM 1208 C SER A 88 9.201 -12.202 0.004 1.00 1.00 C ATOM 1209 O SER A 88 9.829 -11.313 0.580 1.00 1.00 O ATOM 1210 CB SER A 88 10.946 -13.923 -0.494 1.00 1.00 C ATOM 1211 OG SER A 88 12.027 -14.084 -1.396 1.00 1.00 O ATOM 0 H SER A 88 11.413 -11.978 -2.020 1.00 1.00 H new ATOM 0 HA SER A 88 9.094 -13.663 -1.553 1.00 1.00 H new ATOM 0 HB2 SER A 88 11.307 -13.484 0.436 1.00 1.00 H new ATOM 0 HB3 SER A 88 10.528 -14.898 -0.245 1.00 1.00 H new ATOM 0 HG SER A 88 12.711 -14.655 -0.988 1.00 1.00 H new ATOM 1217 N VAL A 89 7.936 -12.494 0.288 1.00 1.00 N ATOM 1218 CA VAL A 89 7.199 -11.768 1.317 1.00 1.00 C ATOM 1219 C VAL A 89 7.759 -12.046 2.712 1.00 1.00 C ATOM 1220 O VAL A 89 7.424 -11.351 3.671 1.00 1.00 O ATOM 1221 CB VAL A 89 5.698 -12.115 1.301 1.00 1.00 C ATOM 1222 CG1 VAL A 89 4.993 -11.373 0.179 1.00 1.00 C ATOM 1223 CG2 VAL A 89 5.486 -13.616 1.172 1.00 1.00 C ATOM 0 H VAL A 89 7.401 -13.226 -0.178 1.00 1.00 H new ATOM 0 HA VAL A 89 7.319 -10.709 1.087 1.00 1.00 H new ATOM 0 HB VAL A 89 5.266 -11.797 2.250 1.00 1.00 H new ATOM 0 HG11 VAL A 89 3.934 -11.630 0.182 1.00 1.00 H new ATOM 0 HG12 VAL A 89 5.106 -10.299 0.326 1.00 1.00 H new ATOM 0 HG13 VAL A 89 5.432 -11.657 -0.777 1.00 1.00 H new ATOM 0 HG21 VAL A 89 4.418 -13.833 1.163 1.00 1.00 H new ATOM 0 HG22 VAL A 89 5.936 -13.969 0.244 1.00 1.00 H new ATOM 0 HG23 VAL A 89 5.952 -14.123 2.017 1.00 1.00 H new ATOM 1233 N LYS A 90 8.612 -13.063 2.823 1.00 1.00 N ATOM 1234 CA LYS A 90 9.212 -13.422 4.105 1.00 1.00 C ATOM 1235 C LYS A 90 9.857 -12.208 4.768 1.00 1.00 C ATOM 1236 O LYS A 90 9.836 -12.073 5.992 1.00 1.00 O ATOM 1237 CB LYS A 90 10.254 -14.527 3.913 1.00 1.00 C ATOM 1238 CG LYS A 90 10.239 -15.575 5.014 1.00 1.00 C ATOM 1239 CD LYS A 90 11.624 -16.156 5.249 1.00 1.00 C ATOM 1240 CE LYS A 90 11.851 -16.485 6.716 1.00 1.00 C ATOM 1241 NZ LYS A 90 12.719 -15.476 7.384 1.00 1.00 N ATOM 0 H LYS A 90 8.902 -13.651 2.042 1.00 1.00 H new ATOM 0 HA LYS A 90 8.419 -13.788 4.757 1.00 1.00 H new ATOM 0 HB2 LYS A 90 10.080 -15.016 2.955 1.00 1.00 H new ATOM 0 HB3 LYS A 90 11.245 -14.076 3.866 1.00 1.00 H new ATOM 0 HG2 LYS A 90 9.869 -15.129 5.937 1.00 1.00 H new ATOM 0 HG3 LYS A 90 9.548 -16.375 4.747 1.00 1.00 H new ATOM 0 HD2 LYS A 90 11.747 -17.058 4.650 1.00 1.00 H new ATOM 0 HD3 LYS A 90 12.379 -15.445 4.914 1.00 1.00 H new ATOM 0 HE2 LYS A 90 10.891 -16.535 7.230 1.00 1.00 H new ATOM 0 HE3 LYS A 90 12.309 -17.471 6.800 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 12.849 -15.737 8.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 13.644 -15.446 6.910 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 12.270 -14.540 7.326 1.00 1.00 H new ATOM 1255 N GLU A 91 10.426 -11.326 3.953 1.00 1.00 N ATOM 1256 CA GLU A 91 11.073 -10.122 4.461 1.00 1.00 C ATOM 1257 C GLU A 91 10.070 -8.978 4.577 1.00 1.00 C ATOM 1258 O GLU A 91 10.010 -8.101 3.715 1.00 1.00 O ATOM 1259 CB GLU A 91 12.230 -9.713 3.548 1.00 1.00 C ATOM 1260 CG GLU A 91 13.413 -10.666 3.600 1.00 1.00 C ATOM 1261 CD GLU A 91 14.737 -9.945 3.760 1.00 1.00 C ATOM 1262 OE1 GLU A 91 14.764 -8.893 4.433 1.00 1.00 O ATOM 1263 OE2 GLU A 91 15.748 -10.433 3.212 1.00 1.00 O ATOM 0 H GLU A 91 10.452 -11.422 2.938 1.00 1.00 H new ATOM 0 HA GLU A 91 11.467 -10.341 5.454 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.868 -9.652 2.522 1.00 1.00 H new ATOM 0 HB3 GLU A 91 12.566 -8.714 3.827 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.279 -11.360 4.430 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.436 -11.261 2.687 1.00 1.00 H new ATOM 1270 N HIS A 92 9.283 -8.998 5.646 1.00 1.00 N ATOM 1271 CA HIS A 92 8.277 -7.968 5.879 1.00 1.00 C ATOM 1272 C HIS A 92 8.914 -6.584 5.967 1.00 1.00 C ATOM 1273 O HIS A 92 8.288 -5.580 5.628 1.00 1.00 O ATOM 1274 CB HIS A 92 7.504 -8.268 7.165 1.00 1.00 C ATOM 1275 CG HIS A 92 6.546 -9.411 7.035 1.00 1.00 C ATOM 1276 ND1 HIS A 92 5.950 -10.021 8.119 1.00 1.00 N ATOM 1277 CD2 HIS A 92 6.079 -10.057 5.940 1.00 1.00 C ATOM 1278 CE1 HIS A 92 5.160 -10.992 7.697 1.00 1.00 C ATOM 1279 NE2 HIS A 92 5.220 -11.034 6.379 1.00 1.00 N ATOM 0 H HIS A 92 9.322 -9.718 6.367 1.00 1.00 H new ATOM 0 HA HIS A 92 7.588 -7.973 5.034 1.00 1.00 H new ATOM 0 HB2 HIS A 92 8.214 -8.488 7.963 1.00 1.00 H new ATOM 0 HB3 HIS A 92 6.954 -7.376 7.465 1.00 1.00 H new ATOM 0 HD2 HIS A 92 6.335 -9.843 4.913 1.00 1.00 H new ATOM 0 HE1 HIS A 92 4.566 -11.641 8.324 1.00 1.00 H new ATOM 0 HE2 HIS A 92 4.711 -11.687 5.783 1.00 1.00 H new ATOM 1288 N ARG A 93 10.160 -6.538 6.428 1.00 1.00 N ATOM 1289 CA ARG A 93 10.878 -5.275 6.566 1.00 1.00 C ATOM 1290 C ARG A 93 11.043 -4.583 5.216 1.00 1.00 C ATOM 1291 O ARG A 93 11.086 -3.356 5.139 1.00 1.00 O ATOM 1292 CB ARG A 93 12.250 -5.513 7.200 1.00 1.00 C ATOM 1293 CG ARG A 93 12.185 -5.829 8.686 1.00 1.00 C ATOM 1294 CD ARG A 93 13.496 -5.502 9.383 1.00 1.00 C ATOM 1295 NE ARG A 93 13.828 -6.483 10.414 1.00 1.00 N ATOM 1296 CZ ARG A 93 14.362 -7.675 10.157 1.00 1.00 C ATOM 1297 NH1 ARG A 93 14.627 -8.037 8.908 1.00 1.00 N ATOM 1298 NH2 ARG A 93 14.632 -8.508 11.153 1.00 1.00 N ATOM 0 H ARG A 93 10.693 -7.360 6.712 1.00 1.00 H new ATOM 0 HA ARG A 93 10.290 -4.624 7.214 1.00 1.00 H new ATOM 0 HB2 ARG A 93 12.743 -6.336 6.683 1.00 1.00 H new ATOM 0 HB3 ARG A 93 12.869 -4.628 7.052 1.00 1.00 H new ATOM 0 HG2 ARG A 93 11.376 -5.261 9.145 1.00 1.00 H new ATOM 0 HG3 ARG A 93 11.951 -6.885 8.825 1.00 1.00 H new ATOM 0 HD2 ARG A 93 14.299 -5.465 8.646 1.00 1.00 H new ATOM 0 HD3 ARG A 93 13.430 -4.511 9.833 1.00 1.00 H new ATOM 0 HE ARG A 93 13.640 -6.240 11.387 1.00 1.00 H new ATOM 0 HH11 ARG A 93 14.422 -7.400 8.138 1.00 1.00 H new ATOM 0 HH12 ARG A 93 15.036 -8.952 8.718 1.00 1.00 H new ATOM 0 HH21 ARG A 93 14.430 -8.235 12.115 1.00 1.00 H new ATOM 0 HH22 ARG A 93 15.041 -9.422 10.957 1.00 1.00 H new ATOM 1312 N ARG A 94 11.140 -5.377 4.154 1.00 1.00 N ATOM 1313 CA ARG A 94 11.305 -4.836 2.809 1.00 1.00 C ATOM 1314 C ARG A 94 9.978 -4.324 2.256 1.00 1.00 C ATOM 1315 O ARG A 94 9.900 -3.210 1.737 1.00 1.00 O ATOM 1316 CB ARG A 94 11.885 -5.902 1.877 1.00 1.00 C ATOM 1317 CG ARG A 94 13.397 -5.834 1.744 1.00 1.00 C ATOM 1318 CD ARG A 94 14.009 -7.220 1.620 1.00 1.00 C ATOM 1319 NE ARG A 94 13.936 -7.731 0.254 1.00 1.00 N ATOM 1320 CZ ARG A 94 14.777 -7.378 -0.716 1.00 1.00 C ATOM 1321 NH1 ARG A 94 15.753 -6.511 -0.475 1.00 1.00 N ATOM 1322 NH2 ARG A 94 14.641 -7.892 -1.931 1.00 1.00 N ATOM 0 H ARG A 94 11.107 -6.396 4.198 1.00 1.00 H new ATOM 0 HA ARG A 94 11.998 -3.996 2.866 1.00 1.00 H new ATOM 0 HB2 ARG A 94 11.605 -6.888 2.247 1.00 1.00 H new ATOM 0 HB3 ARG A 94 11.436 -5.793 0.890 1.00 1.00 H new ATOM 0 HG2 ARG A 94 13.660 -5.240 0.869 1.00 1.00 H new ATOM 0 HG3 ARG A 94 13.817 -5.326 2.612 1.00 1.00 H new ATOM 0 HD2 ARG A 94 15.051 -7.186 1.939 1.00 1.00 H new ATOM 0 HD3 ARG A 94 13.492 -7.906 2.292 1.00 1.00 H new ATOM 0 HE ARG A 94 13.197 -8.398 0.030 1.00 1.00 H new ATOM 0 HH11 ARG A 94 15.862 -6.112 0.457 1.00 1.00 H new ATOM 0 HH12 ARG A 94 16.394 -6.244 -1.222 1.00 1.00 H new ATOM 0 HH21 ARG A 94 13.892 -8.558 -2.122 1.00 1.00 H new ATOM 0 HH22 ARG A 94 15.285 -7.622 -2.674 1.00 1.00 H new ATOM 1336 N ILE A 95 8.939 -5.144 2.367 1.00 1.00 N ATOM 1337 CA ILE A 95 7.617 -4.774 1.875 1.00 1.00 C ATOM 1338 C ILE A 95 7.110 -3.504 2.553 1.00 1.00 C ATOM 1339 O ILE A 95 6.650 -2.575 1.890 1.00 1.00 O ATOM 1340 CB ILE A 95 6.598 -5.907 2.095 1.00 1.00 C ATOM 1341 CG1 ILE A 95 7.139 -7.218 1.518 1.00 1.00 C ATOM 1342 CG2 ILE A 95 5.261 -5.547 1.461 1.00 1.00 C ATOM 1343 CD1 ILE A 95 6.137 -8.350 1.532 1.00 1.00 C ATOM 0 H ILE A 95 8.987 -6.069 2.793 1.00 1.00 H new ATOM 0 HA ILE A 95 7.718 -4.592 0.805 1.00 1.00 H new ATOM 0 HB ILE A 95 6.441 -6.040 3.165 1.00 1.00 H new ATOM 0 HG12 ILE A 95 7.464 -7.046 0.492 1.00 1.00 H new ATOM 0 HG13 ILE A 95 8.020 -7.518 2.086 1.00 1.00 H new ATOM 0 HG21 ILE A 95 4.551 -6.357 1.625 1.00 1.00 H new ATOM 0 HG22 ILE A 95 4.878 -4.632 1.914 1.00 1.00 H new ATOM 0 HG23 ILE A 95 5.396 -5.393 0.390 1.00 1.00 H new ATOM 0 HD11 ILE A 95 6.593 -9.245 1.108 1.00 1.00 H new ATOM 0 HD12 ILE A 95 5.829 -8.551 2.558 1.00 1.00 H new ATOM 0 HD13 ILE A 95 5.265 -8.072 0.940 1.00 1.00 H new ATOM 1355 N TYR A 96 7.201 -3.472 3.879 1.00 1.00 N ATOM 1356 CA TYR A 96 6.754 -2.317 4.653 1.00 1.00 C ATOM 1357 C TYR A 96 7.438 -1.039 4.175 1.00 1.00 C ATOM 1358 O TYR A 96 6.782 -0.030 3.917 1.00 1.00 O ATOM 1359 CB TYR A 96 7.043 -2.539 6.139 1.00 1.00 C ATOM 1360 CG TYR A 96 5.920 -2.104 7.053 1.00 1.00 C ATOM 1361 CD1 TYR A 96 5.678 -0.758 7.297 1.00 1.00 C ATOM 1362 CD2 TYR A 96 5.104 -3.040 7.676 1.00 1.00 C ATOM 1363 CE1 TYR A 96 4.655 -0.357 8.136 1.00 1.00 C ATOM 1364 CE2 TYR A 96 4.079 -2.647 8.516 1.00 1.00 C ATOM 1365 CZ TYR A 96 3.859 -1.305 8.742 1.00 1.00 C ATOM 1366 OH TYR A 96 2.840 -0.910 9.578 1.00 1.00 O ATOM 0 H TYR A 96 7.581 -4.234 4.441 1.00 1.00 H new ATOM 0 HA TYR A 96 5.680 -2.205 4.507 1.00 1.00 H new ATOM 0 HB2 TYR A 96 7.245 -3.597 6.306 1.00 1.00 H new ATOM 0 HB3 TYR A 96 7.949 -1.995 6.408 1.00 1.00 H new ATOM 0 HD1 TYR A 96 6.299 -0.012 6.823 1.00 1.00 H new ATOM 0 HD2 TYR A 96 5.273 -4.092 7.501 1.00 1.00 H new ATOM 0 HE1 TYR A 96 4.481 0.694 8.316 1.00 1.00 H new ATOM 0 HE2 TYR A 96 3.454 -3.387 8.993 1.00 1.00 H new ATOM 0 HH TYR A 96 2.374 -1.701 9.922 1.00 1.00 H new ATOM 1376 N ALA A 97 8.761 -1.091 4.060 1.00 1.00 N ATOM 1377 CA ALA A 97 9.537 0.061 3.615 1.00 1.00 C ATOM 1378 C ALA A 97 9.373 0.297 2.117 1.00 1.00 C ATOM 1379 O ALA A 97 9.565 1.412 1.631 1.00 1.00 O ATOM 1380 CB ALA A 97 11.006 -0.128 3.963 1.00 1.00 C ATOM 0 H ALA A 97 9.319 -1.919 4.269 1.00 1.00 H new ATOM 0 HA ALA A 97 9.159 0.941 4.135 1.00 1.00 H new ATOM 0 HB1 ALA A 97 11.574 0.739 3.625 1.00 1.00 H new ATOM 0 HB2 ALA A 97 11.113 -0.234 5.042 1.00 1.00 H new ATOM 0 HB3 ALA A 97 11.384 -1.024 3.471 1.00 1.00 H new ATOM 1386 N MET A 98 9.015 -0.755 1.388 1.00 1.00 N ATOM 1387 CA MET A 98 8.825 -0.665 -0.044 1.00 1.00 C ATOM 1388 C MET A 98 7.543 0.101 -0.366 1.00 1.00 C ATOM 1389 O MET A 98 7.584 1.176 -0.964 1.00 1.00 O ATOM 1390 CB MET A 98 8.791 -2.077 -0.633 1.00 1.00 C ATOM 1391 CG MET A 98 8.051 -2.169 -1.946 1.00 1.00 C ATOM 1392 SD MET A 98 8.816 -3.322 -3.103 1.00 1.00 S ATOM 1393 CE MET A 98 8.357 -4.891 -2.370 1.00 1.00 C ATOM 0 H MET A 98 8.851 -1.684 1.775 1.00 1.00 H new ATOM 0 HA MET A 98 9.654 -0.116 -0.491 1.00 1.00 H new ATOM 0 HB2 MET A 98 9.814 -2.426 -0.777 1.00 1.00 H new ATOM 0 HB3 MET A 98 8.323 -2.750 0.086 1.00 1.00 H new ATOM 0 HG2 MET A 98 7.023 -2.480 -1.757 1.00 1.00 H new ATOM 0 HG3 MET A 98 8.006 -1.180 -2.402 1.00 1.00 H new ATOM 0 HE1 MET A 98 8.758 -5.706 -2.973 1.00 1.00 H new ATOM 0 HE2 MET A 98 8.763 -4.953 -1.360 1.00 1.00 H new ATOM 0 HE3 MET A 98 7.271 -4.970 -2.330 1.00 1.00 H new ATOM 1403 N ILE A 99 6.405 -0.456 0.040 1.00 1.00 N ATOM 1404 CA ILE A 99 5.115 0.180 -0.201 1.00 1.00 C ATOM 1405 C ILE A 99 5.091 1.598 0.364 1.00 1.00 C ATOM 1406 O ILE A 99 4.345 2.454 -0.111 1.00 1.00 O ATOM 1407 CB ILE A 99 3.962 -0.629 0.424 1.00 1.00 C ATOM 1408 CG1 ILE A 99 4.271 -0.957 1.887 1.00 1.00 C ATOM 1409 CG2 ILE A 99 3.717 -1.902 -0.372 1.00 1.00 C ATOM 1410 CD1 ILE A 99 3.461 -0.142 2.871 1.00 1.00 C ATOM 0 H ILE A 99 6.351 -1.345 0.537 1.00 1.00 H new ATOM 0 HA ILE A 99 4.976 0.217 -1.282 1.00 1.00 H new ATOM 0 HB ILE A 99 3.055 -0.025 0.393 1.00 1.00 H new ATOM 0 HG12 ILE A 99 4.082 -2.016 2.062 1.00 1.00 H new ATOM 0 HG13 ILE A 99 5.332 -0.788 2.073 1.00 1.00 H new ATOM 0 HG21 ILE A 99 2.900 -2.463 0.081 1.00 1.00 H new ATOM 0 HG22 ILE A 99 3.455 -1.645 -1.398 1.00 1.00 H new ATOM 0 HG23 ILE A 99 4.620 -2.512 -0.370 1.00 1.00 H new ATOM 0 HD11 ILE A 99 3.731 -0.426 3.888 1.00 1.00 H new ATOM 0 HD12 ILE A 99 3.668 0.918 2.723 1.00 1.00 H new ATOM 0 HD13 ILE A 99 2.399 -0.330 2.712 1.00 1.00 H new ATOM 1422 N SER A 100 5.918 1.840 1.379 1.00 1.00 N ATOM 1423 CA SER A 100 5.996 3.155 2.004 1.00 1.00 C ATOM 1424 C SER A 100 6.603 4.173 1.045 1.00 1.00 C ATOM 1425 O SER A 100 6.171 5.324 0.989 1.00 1.00 O ATOM 1426 CB SER A 100 6.826 3.086 3.287 1.00 1.00 C ATOM 1427 OG SER A 100 6.055 2.592 4.369 1.00 1.00 O ATOM 0 H SER A 100 6.542 1.142 1.784 1.00 1.00 H new ATOM 0 HA SER A 100 4.984 3.474 2.254 1.00 1.00 H new ATOM 0 HB2 SER A 100 7.691 2.442 3.130 1.00 1.00 H new ATOM 0 HB3 SER A 100 7.207 4.078 3.531 1.00 1.00 H new ATOM 0 HG SER A 100 6.164 1.620 4.431 1.00 1.00 H new ATOM 1433 N ARG A 101 7.607 3.741 0.290 1.00 1.00 N ATOM 1434 CA ARG A 101 8.272 4.614 -0.671 1.00 1.00 C ATOM 1435 C ARG A 101 7.362 4.913 -1.861 1.00 1.00 C ATOM 1436 O ARG A 101 7.629 5.827 -2.641 1.00 1.00 O ATOM 1437 CB ARG A 101 9.571 3.971 -1.160 1.00 1.00 C ATOM 1438 CG ARG A 101 10.546 3.642 -0.041 1.00 1.00 C ATOM 1439 CD ARG A 101 11.374 2.410 -0.371 1.00 1.00 C ATOM 1440 NE ARG A 101 12.476 2.718 -1.280 1.00 1.00 N ATOM 1441 CZ ARG A 101 13.620 3.278 -0.895 1.00 1.00 C ATOM 1442 NH1 ARG A 101 13.817 3.594 0.379 1.00 1.00 N ATOM 1443 NH2 ARG A 101 14.571 3.523 -1.786 1.00 1.00 N ATOM 0 H ARG A 101 7.978 2.792 0.325 1.00 1.00 H new ATOM 0 HA ARG A 101 8.503 5.553 -0.169 1.00 1.00 H new ATOM 0 HB2 ARG A 101 9.332 3.057 -1.703 1.00 1.00 H new ATOM 0 HB3 ARG A 101 10.056 4.644 -1.867 1.00 1.00 H new ATOM 0 HG2 ARG A 101 11.207 4.492 0.129 1.00 1.00 H new ATOM 0 HG3 ARG A 101 9.996 3.475 0.885 1.00 1.00 H new ATOM 0 HD2 ARG A 101 11.772 1.984 0.550 1.00 1.00 H new ATOM 0 HD3 ARG A 101 10.733 1.653 -0.822 1.00 1.00 H new ATOM 0 HE ARG A 101 12.362 2.490 -2.268 1.00 1.00 H new ATOM 0 HH11 ARG A 101 13.089 3.408 1.069 1.00 1.00 H new ATOM 0 HH12 ARG A 101 14.696 4.023 0.668 1.00 1.00 H new ATOM 0 HH21 ARG A 101 14.426 3.282 -2.766 1.00 1.00 H new ATOM 0 HH22 ARG A 101 15.448 3.952 -1.491 1.00 1.00 H new ATOM 1457 N ASN A 102 6.290 4.137 -1.999 1.00 1.00 N ATOM 1458 CA ASN A 102 5.349 4.320 -3.097 1.00 1.00 C ATOM 1459 C ASN A 102 4.144 5.148 -2.659 1.00 1.00 C ATOM 1460 O ASN A 102 3.029 4.939 -3.137 1.00 1.00 O ATOM 1461 CB ASN A 102 4.884 2.961 -3.622 1.00 1.00 C ATOM 1462 CG ASN A 102 5.902 2.321 -4.545 1.00 1.00 C ATOM 1463 OD1 ASN A 102 6.829 2.980 -5.017 1.00 1.00 O ATOM 1464 ND2 ASN A 102 5.736 1.030 -4.810 1.00 1.00 N ATOM 0 H ASN A 102 6.053 3.376 -1.363 1.00 1.00 H new ATOM 0 HA ASN A 102 5.861 4.859 -3.894 1.00 1.00 H new ATOM 0 HB2 ASN A 102 4.691 2.296 -2.780 1.00 1.00 H new ATOM 0 HB3 ASN A 102 3.941 3.083 -4.154 1.00 1.00 H new ATOM 0 HD21 ASN A 102 6.391 0.547 -5.426 1.00 1.00 H new ATOM 0 HD22 ASN A 102 4.954 0.521 -4.398 1.00 1.00 H new ATOM 1471 N LEU A 103 4.375 6.090 -1.749 1.00 1.00 N ATOM 1472 CA LEU A 103 3.306 6.949 -1.251 1.00 1.00 C ATOM 1473 C LEU A 103 3.530 8.398 -1.670 1.00 1.00 C ATOM 1474 O LEU A 103 4.592 8.968 -1.423 1.00 1.00 O ATOM 1475 CB LEU A 103 3.218 6.860 0.273 1.00 1.00 C ATOM 1476 CG LEU A 103 3.276 5.443 0.844 1.00 1.00 C ATOM 1477 CD1 LEU A 103 3.560 5.485 2.337 1.00 1.00 C ATOM 1478 CD2 LEU A 103 1.977 4.701 0.565 1.00 1.00 C ATOM 0 H LEU A 103 5.291 6.277 -1.342 1.00 1.00 H new ATOM 0 HA LEU A 103 2.368 6.603 -1.685 1.00 1.00 H new ATOM 0 HB2 LEU A 103 4.033 7.442 0.703 1.00 1.00 H new ATOM 0 HB3 LEU A 103 2.288 7.327 0.596 1.00 1.00 H new ATOM 0 HG LEU A 103 4.088 4.905 0.354 1.00 1.00 H new ATOM 0 HD11 LEU A 103 3.598 4.469 2.729 1.00 1.00 H new ATOM 0 HD12 LEU A 103 4.517 5.977 2.512 1.00 1.00 H new ATOM 0 HD13 LEU A 103 2.769 6.039 2.842 1.00 1.00 H new ATOM 0 HD21 LEU A 103 2.037 3.694 0.979 1.00 1.00 H new ATOM 0 HD22 LEU A 103 1.147 5.235 1.027 1.00 1.00 H new ATOM 0 HD23 LEU A 103 1.816 4.642 -0.511 1.00 1.00 H new ATOM 1490 N VAL A 104 2.524 8.988 -2.306 1.00 1.00 N ATOM 1491 CA VAL A 104 2.615 10.371 -2.758 1.00 1.00 C ATOM 1492 C VAL A 104 2.197 11.344 -1.657 1.00 1.00 C ATOM 1493 O VAL A 104 2.908 12.304 -1.363 1.00 1.00 O ATOM 1494 CB VAL A 104 1.751 10.618 -4.013 1.00 1.00 C ATOM 1495 CG1 VAL A 104 2.225 9.745 -5.165 1.00 1.00 C ATOM 1496 CG2 VAL A 104 0.277 10.370 -3.721 1.00 1.00 C ATOM 0 H VAL A 104 1.638 8.531 -2.520 1.00 1.00 H new ATOM 0 HA VAL A 104 3.660 10.548 -3.012 1.00 1.00 H new ATOM 0 HB VAL A 104 1.863 11.663 -4.301 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.605 9.932 -6.042 1.00 1.00 H new ATOM 0 HG12 VAL A 104 3.263 9.982 -5.398 1.00 1.00 H new ATOM 0 HG13 VAL A 104 2.147 8.695 -4.882 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -0.308 10.552 -4.623 1.00 1.00 H new ATOM 0 HG22 VAL A 104 0.138 9.338 -3.400 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -0.056 11.043 -2.931 1.00 1.00 H new