USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 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= 0.0541 USER MOD Set 1.2: A 85 GLN : amide:sc= 0 K(o=0.054,f=-0.88) USER MOD Set 2.1: A 69 HIS : no HE2:sc= -3.28 K(o=-3.3,f=-2.2) USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 61 GLN : amide:sc= -1.66 K(o=-2.9,f=2) USER MOD Set 3.2: A 63 TYR OH : rot 165:sc= -1.27 USER MOD Set 4.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -3.06 K(o=-3.1,f=-9.8!) USER MOD Single : A 27 THR OG1 : rot -83:sc= 1.09 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.392 (180deg=-1.01) USER MOD Single : A 40 GLN : amide:sc= -0.996 K(o=-1,f=-5.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0809 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 46 MET CE :methyl -107:sc= -5.25! (180deg=-8.55!) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= -1.33! (180deg=-2.42!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -5.08! K(o=-5.1!,f=-2.8) USER MOD Single : A 55 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.231 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.24! C(o=-5.2!,f=-8.1!) USER MOD Single : A 68 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 72 HIS : no HD1:sc= -3.14 X(o=-3.1,f=-3.3!) USER MOD Single : A 73 CYS SG : rot -126:sc= -1.41! USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0.01) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.857 USER MOD Single : A 98 MET CE :methyl -110:sc= -9.04! (180deg=-16.7!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -5.43 K(o=-5.4,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -4.946 7.336 7.217 1.00 1.00 N ATOM 157 CA LEU A 23 -5.025 6.773 5.877 1.00 1.00 C ATOM 158 C LEU A 23 -3.886 7.258 4.989 1.00 1.00 C ATOM 159 O LEU A 23 -3.250 8.277 5.264 1.00 1.00 O ATOM 160 CB LEU A 23 -6.374 7.105 5.229 1.00 1.00 C ATOM 161 CG LEU A 23 -6.860 8.545 5.409 1.00 1.00 C ATOM 162 CD1 LEU A 23 -5.791 9.532 4.970 1.00 1.00 C ATOM 163 CD2 LEU A 23 -8.143 8.768 4.625 1.00 1.00 C ATOM 0 HA LEU A 23 -4.933 5.691 5.977 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -6.305 6.895 4.162 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -7.128 6.433 5.638 1.00 1.00 H new ATOM 0 HG LEU A 23 -7.063 8.711 6.467 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -6.157 10.550 5.106 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -4.893 9.386 5.570 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -5.555 9.369 3.918 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -8.479 9.796 4.761 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -7.959 8.583 3.567 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -8.912 8.085 4.984 1.00 1.00 H new ATOM 175 N VAL A 24 -3.645 6.516 3.914 1.00 1.00 N ATOM 176 CA VAL A 24 -2.596 6.852 2.961 1.00 1.00 C ATOM 177 C VAL A 24 -3.192 7.056 1.571 1.00 1.00 C ATOM 178 O VAL A 24 -4.329 6.659 1.315 1.00 1.00 O ATOM 179 CB VAL A 24 -1.502 5.761 2.897 1.00 1.00 C ATOM 180 CG1 VAL A 24 -0.390 6.065 3.889 1.00 1.00 C ATOM 181 CG2 VAL A 24 -2.087 4.375 3.153 1.00 1.00 C ATOM 0 H VAL A 24 -4.167 5.671 3.680 1.00 1.00 H new ATOM 0 HA VAL A 24 -2.131 7.776 3.304 1.00 1.00 H new ATOM 0 HB VAL A 24 -1.082 5.764 1.891 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.372 5.288 3.831 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.057 7.030 3.650 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -0.801 6.096 4.898 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -1.293 3.630 3.101 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -2.544 4.350 4.142 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -2.842 4.154 2.399 1.00 1.00 H new ATOM 191 N GLN A 25 -2.433 7.684 0.677 1.00 1.00 N ATOM 192 CA GLN A 25 -2.917 7.939 -0.676 1.00 1.00 C ATOM 193 C GLN A 25 -2.070 7.213 -1.720 1.00 1.00 C ATOM 194 O GLN A 25 -1.038 7.722 -2.157 1.00 1.00 O ATOM 195 CB GLN A 25 -2.912 9.441 -0.961 1.00 1.00 C ATOM 196 CG GLN A 25 -4.031 9.893 -1.886 1.00 1.00 C ATOM 197 CD GLN A 25 -4.134 9.047 -3.140 1.00 1.00 C ATOM 198 OE1 GLN A 25 -4.370 7.841 -3.072 1.00 1.00 O ATOM 199 NE2 GLN A 25 -3.959 9.678 -4.296 1.00 1.00 N ATOM 0 H GLN A 25 -1.489 8.023 0.863 1.00 1.00 H new ATOM 0 HA GLN A 25 -3.936 7.558 -0.742 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -2.993 9.981 -0.017 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -1.954 9.714 -1.404 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -4.978 9.855 -1.348 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -3.866 10.933 -2.167 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -3.765 10.679 -4.306 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -4.018 9.161 -5.173 1.00 1.00 H new ATOM 208 N PRO A 26 -2.503 6.011 -2.141 1.00 1.00 N ATOM 209 CA PRO A 26 -1.786 5.218 -3.146 1.00 1.00 C ATOM 210 C PRO A 26 -1.728 5.921 -4.497 1.00 1.00 C ATOM 211 O PRO A 26 -2.721 6.490 -4.951 1.00 1.00 O ATOM 212 CB PRO A 26 -2.618 3.933 -3.260 1.00 1.00 C ATOM 213 CG PRO A 26 -3.448 3.897 -2.023 1.00 1.00 C ATOM 214 CD PRO A 26 -3.721 5.330 -1.676 1.00 1.00 C ATOM 0 HA PRO A 26 -0.749 5.046 -2.858 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -3.242 3.946 -4.153 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -1.978 3.054 -3.331 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -4.376 3.351 -2.190 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -2.922 3.391 -1.213 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -4.612 5.706 -2.178 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -3.877 5.465 -0.606 1.00 1.00 H new ATOM 222 N THR A 27 -0.568 5.870 -5.142 1.00 1.00 N ATOM 223 CA THR A 27 -0.398 6.496 -6.448 1.00 1.00 C ATOM 224 C THR A 27 -1.410 5.931 -7.442 1.00 1.00 C ATOM 225 O THR A 27 -1.984 4.867 -7.213 1.00 1.00 O ATOM 226 CB THR A 27 1.024 6.272 -6.965 1.00 1.00 C ATOM 227 OG1 THR A 27 1.508 5.002 -6.568 1.00 1.00 O ATOM 228 CG2 THR A 27 2.008 7.312 -6.476 1.00 1.00 C ATOM 0 H THR A 27 0.265 5.404 -4.784 1.00 1.00 H new ATOM 0 HA THR A 27 -0.568 7.567 -6.342 1.00 1.00 H new ATOM 0 HB THR A 27 0.952 6.345 -8.050 1.00 1.00 H new ATOM 0 HG1 THR A 27 1.866 5.058 -5.658 1.00 1.00 H new ATOM 0 HG21 THR A 27 2.997 7.095 -6.879 1.00 1.00 H new ATOM 0 HG22 THR A 27 1.689 8.300 -6.809 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.048 7.292 -5.387 1.00 1.00 H new ATOM 236 N PRO A 28 -1.645 6.634 -8.563 1.00 1.00 N ATOM 237 CA PRO A 28 -2.593 6.191 -9.586 1.00 1.00 C ATOM 238 C PRO A 28 -2.398 4.723 -9.951 1.00 1.00 C ATOM 239 O PRO A 28 -3.353 4.027 -10.296 1.00 1.00 O ATOM 240 CB PRO A 28 -2.292 7.095 -10.792 1.00 1.00 C ATOM 241 CG PRO A 28 -1.074 7.883 -10.426 1.00 1.00 C ATOM 242 CD PRO A 28 -1.014 7.905 -8.926 1.00 1.00 C ATOM 0 HA PRO A 28 -3.624 6.267 -9.241 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -2.117 6.502 -11.690 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -3.134 7.754 -11.004 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -0.177 7.426 -10.843 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -1.132 8.895 -10.827 1.00 1.00 H new ATOM 0 HD2 PRO A 28 0.012 7.967 -8.562 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -1.552 8.758 -8.511 1.00 1.00 H new ATOM 250 N LEU A 29 -1.156 4.256 -9.860 1.00 1.00 N ATOM 251 CA LEU A 29 -0.839 2.867 -10.170 1.00 1.00 C ATOM 252 C LEU A 29 -1.369 1.948 -9.074 1.00 1.00 C ATOM 253 O LEU A 29 -2.186 1.062 -9.331 1.00 1.00 O ATOM 254 CB LEU A 29 0.673 2.686 -10.325 1.00 1.00 C ATOM 255 CG LEU A 29 1.124 1.283 -10.738 1.00 1.00 C ATOM 256 CD1 LEU A 29 0.315 0.786 -11.928 1.00 1.00 C ATOM 257 CD2 LEU A 29 2.610 1.278 -11.062 1.00 1.00 C ATOM 0 H LEU A 29 -0.354 4.819 -9.575 1.00 1.00 H new ATOM 0 HA LEU A 29 -1.319 2.604 -11.112 1.00 1.00 H new ATOM 0 HB2 LEU A 29 1.034 3.399 -11.067 1.00 1.00 H new ATOM 0 HB3 LEU A 29 1.152 2.940 -9.379 1.00 1.00 H new ATOM 0 HG LEU A 29 0.950 0.606 -9.902 1.00 1.00 H new ATOM 0 HD11 LEU A 29 0.652 -0.213 -12.205 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -0.741 0.752 -11.661 1.00 1.00 H new ATOM 0 HD13 LEU A 29 0.454 1.463 -12.771 1.00 1.00 H new ATOM 0 HD21 LEU A 29 2.915 0.273 -11.354 1.00 1.00 H new ATOM 0 HD22 LEU A 29 2.806 1.969 -11.882 1.00 1.00 H new ATOM 0 HD23 LEU A 29 3.175 1.588 -10.183 1.00 1.00 H new ATOM 269 N LEU A 30 -0.910 2.177 -7.846 1.00 1.00 N ATOM 270 CA LEU A 30 -1.350 1.380 -6.708 1.00 1.00 C ATOM 271 C LEU A 30 -2.868 1.454 -6.575 1.00 1.00 C ATOM 272 O LEU A 30 -3.520 0.481 -6.197 1.00 1.00 O ATOM 273 CB LEU A 30 -0.680 1.875 -5.421 1.00 1.00 C ATOM 274 CG LEU A 30 -0.743 0.910 -4.233 1.00 1.00 C ATOM 275 CD1 LEU A 30 -0.392 -0.506 -4.666 1.00 1.00 C ATOM 276 CD2 LEU A 30 0.191 1.374 -3.124 1.00 1.00 C ATOM 0 H LEU A 30 -0.235 2.906 -7.616 1.00 1.00 H new ATOM 0 HA LEU A 30 -1.061 0.342 -6.873 1.00 1.00 H new ATOM 0 HB2 LEU A 30 0.366 2.091 -5.636 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -1.146 2.816 -5.128 1.00 1.00 H new ATOM 0 HG LEU A 30 -1.764 0.905 -3.851 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -0.444 -1.173 -3.805 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -1.098 -0.840 -5.426 1.00 1.00 H new ATOM 0 HD13 LEU A 30 0.618 -0.521 -5.077 1.00 1.00 H new ATOM 0 HD21 LEU A 30 0.135 0.678 -2.287 1.00 1.00 H new ATOM 0 HD22 LEU A 30 1.214 1.408 -3.500 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -0.106 2.368 -2.790 1.00 1.00 H new ATOM 288 N LEU A 31 -3.417 2.620 -6.900 1.00 1.00 N ATOM 289 CA LEU A 31 -4.858 2.848 -6.836 1.00 1.00 C ATOM 290 C LEU A 31 -5.622 1.774 -7.611 1.00 1.00 C ATOM 291 O LEU A 31 -6.429 1.040 -7.043 1.00 1.00 O ATOM 292 CB LEU A 31 -5.194 4.233 -7.400 1.00 1.00 C ATOM 293 CG LEU A 31 -5.782 5.224 -6.394 1.00 1.00 C ATOM 294 CD1 LEU A 31 -6.202 6.507 -7.094 1.00 1.00 C ATOM 295 CD2 LEU A 31 -6.963 4.603 -5.665 1.00 1.00 C ATOM 0 H LEU A 31 -2.881 3.429 -7.213 1.00 1.00 H new ATOM 0 HA LEU A 31 -5.163 2.797 -5.791 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.287 4.665 -7.822 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -5.901 4.111 -8.221 1.00 1.00 H new ATOM 0 HG LEU A 31 -5.014 5.468 -5.660 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -6.618 7.201 -6.363 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -5.334 6.961 -7.572 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -6.955 6.280 -7.849 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.370 5.321 -4.953 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -7.734 4.331 -6.386 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -6.634 3.711 -5.132 1.00 1.00 H new ATOM 307 N SER A 32 -5.363 1.696 -8.915 1.00 1.00 N ATOM 308 CA SER A 32 -6.026 0.720 -9.778 1.00 1.00 C ATOM 309 C SER A 32 -5.992 -0.677 -9.164 1.00 1.00 C ATOM 310 O SER A 32 -6.993 -1.393 -9.182 1.00 1.00 O ATOM 311 CB SER A 32 -5.367 0.697 -11.158 1.00 1.00 C ATOM 312 OG SER A 32 -6.254 0.189 -12.139 1.00 1.00 O ATOM 0 H SER A 32 -4.697 2.299 -9.398 1.00 1.00 H new ATOM 0 HA SER A 32 -7.068 1.022 -9.882 1.00 1.00 H new ATOM 0 HB2 SER A 32 -5.055 1.705 -11.432 1.00 1.00 H new ATOM 0 HB3 SER A 32 -4.467 0.083 -11.124 1.00 1.00 H new ATOM 0 HG SER A 32 -5.809 0.186 -13.012 1.00 1.00 H new ATOM 318 N LEU A 33 -4.843 -1.060 -8.613 1.00 1.00 N ATOM 319 CA LEU A 33 -4.711 -2.377 -7.990 1.00 1.00 C ATOM 320 C LEU A 33 -5.789 -2.555 -6.928 1.00 1.00 C ATOM 321 O LEU A 33 -6.406 -3.615 -6.823 1.00 1.00 O ATOM 322 CB LEU A 33 -3.323 -2.571 -7.365 1.00 1.00 C ATOM 323 CG LEU A 33 -2.190 -1.750 -7.991 1.00 1.00 C ATOM 324 CD1 LEU A 33 -0.850 -2.148 -7.393 1.00 1.00 C ATOM 325 CD2 LEU A 33 -2.173 -1.929 -9.503 1.00 1.00 C ATOM 0 H LEU A 33 -4.000 -0.487 -8.584 1.00 1.00 H new ATOM 0 HA LEU A 33 -4.833 -3.131 -8.768 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -3.384 -2.322 -6.306 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -3.060 -3.627 -7.430 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.366 -0.697 -7.771 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -0.057 -1.555 -7.849 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -0.864 -1.969 -6.318 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -0.667 -3.206 -7.583 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -1.362 -1.339 -9.930 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -2.021 -2.981 -9.743 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -3.123 -1.595 -9.920 1.00 1.00 H new ATOM 337 N LEU A 34 -6.030 -1.495 -6.159 1.00 1.00 N ATOM 338 CA LEU A 34 -7.058 -1.520 -5.127 1.00 1.00 C ATOM 339 C LEU A 34 -8.429 -1.520 -5.785 1.00 1.00 C ATOM 340 O LEU A 34 -9.340 -2.234 -5.365 1.00 1.00 O ATOM 341 CB LEU A 34 -6.925 -0.308 -4.198 1.00 1.00 C ATOM 342 CG LEU A 34 -5.516 -0.053 -3.660 1.00 1.00 C ATOM 343 CD1 LEU A 34 -5.449 1.297 -2.964 1.00 1.00 C ATOM 344 CD2 LEU A 34 -5.102 -1.165 -2.710 1.00 1.00 C ATOM 0 H LEU A 34 -5.527 -0.611 -6.233 1.00 1.00 H new ATOM 0 HA LEU A 34 -6.936 -2.423 -4.529 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -7.258 0.580 -4.735 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -7.601 -0.442 -3.353 1.00 1.00 H new ATOM 0 HG LEU A 34 -4.821 -0.041 -4.500 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -4.440 1.462 -2.587 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -5.706 2.085 -3.672 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -6.154 1.313 -2.133 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -4.097 -0.969 -2.336 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -5.799 -1.207 -1.873 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -5.113 -2.118 -3.239 1.00 1.00 H new ATOM 356 N LYS A 35 -8.553 -0.719 -6.837 1.00 1.00 N ATOM 357 CA LYS A 35 -9.795 -0.614 -7.589 1.00 1.00 C ATOM 358 C LYS A 35 -10.247 -1.989 -8.066 1.00 1.00 C ATOM 359 O LYS A 35 -11.438 -2.304 -8.058 1.00 1.00 O ATOM 360 CB LYS A 35 -9.597 0.323 -8.783 1.00 1.00 C ATOM 361 CG LYS A 35 -9.559 1.796 -8.406 1.00 1.00 C ATOM 362 CD LYS A 35 -10.754 2.189 -7.552 1.00 1.00 C ATOM 363 CE LYS A 35 -10.873 3.700 -7.420 1.00 1.00 C ATOM 364 NZ LYS A 35 -10.626 4.394 -8.714 1.00 1.00 N ATOM 0 H LYS A 35 -7.800 -0.128 -7.190 1.00 1.00 H new ATOM 0 HA LYS A 35 -10.569 -0.205 -6.939 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.667 0.062 -9.287 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -10.404 0.161 -9.498 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -8.638 2.009 -7.863 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -9.543 2.403 -9.311 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -11.666 1.789 -7.995 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -10.657 1.743 -6.562 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -11.868 3.955 -7.056 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -10.161 4.056 -6.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -10.974 5.372 -8.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -9.606 4.401 -8.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -11.125 3.894 -9.477 1.00 1.00 H new ATOM 378 N SER A 36 -9.283 -2.807 -8.471 1.00 1.00 N ATOM 379 CA SER A 36 -9.567 -4.157 -8.941 1.00 1.00 C ATOM 380 C SER A 36 -9.589 -5.143 -7.774 1.00 1.00 C ATOM 381 O SER A 36 -10.145 -6.236 -7.884 1.00 1.00 O ATOM 382 CB SER A 36 -8.525 -4.589 -9.976 1.00 1.00 C ATOM 383 OG SER A 36 -9.134 -4.874 -11.224 1.00 1.00 O ATOM 0 H SER A 36 -8.294 -2.557 -8.483 1.00 1.00 H new ATOM 0 HA SER A 36 -10.551 -4.156 -9.410 1.00 1.00 H new ATOM 0 HB2 SER A 36 -7.783 -3.800 -10.101 1.00 1.00 H new ATOM 0 HB3 SER A 36 -7.995 -5.471 -9.617 1.00 1.00 H new ATOM 0 HG SER A 36 -8.448 -5.146 -11.868 1.00 1.00 H new ATOM 389 N ALA A 37 -8.981 -4.749 -6.656 1.00 1.00 N ATOM 390 CA ALA A 37 -8.932 -5.598 -5.470 1.00 1.00 C ATOM 391 C ALA A 37 -10.171 -5.409 -4.594 1.00 1.00 C ATOM 392 O ALA A 37 -10.237 -5.933 -3.483 1.00 1.00 O ATOM 393 CB ALA A 37 -7.670 -5.309 -4.668 1.00 1.00 C ATOM 0 H ALA A 37 -8.516 -3.848 -6.548 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.914 -6.636 -5.803 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.645 -5.949 -3.786 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.793 -5.507 -5.285 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.667 -4.264 -4.359 1.00 1.00 H new ATOM 399 N GLY A 38 -11.151 -4.659 -5.096 1.00 1.00 N ATOM 400 CA GLY A 38 -12.365 -4.423 -4.335 1.00 1.00 C ATOM 401 C GLY A 38 -12.329 -3.104 -3.591 1.00 1.00 C ATOM 402 O GLY A 38 -12.808 -3.006 -2.461 1.00 1.00 O ATOM 0 H GLY A 38 -11.125 -4.213 -6.013 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -13.222 -4.434 -5.009 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -12.509 -5.236 -3.623 1.00 1.00 H new ATOM 406 N ALA A 39 -11.753 -2.089 -4.225 1.00 1.00 N ATOM 407 CA ALA A 39 -11.646 -0.768 -3.619 1.00 1.00 C ATOM 408 C ALA A 39 -12.501 0.257 -4.374 1.00 1.00 C ATOM 409 O ALA A 39 -12.668 0.149 -5.589 1.00 1.00 O ATOM 410 CB ALA A 39 -10.192 -0.328 -3.588 1.00 1.00 C ATOM 0 H ALA A 39 -11.352 -2.156 -5.161 1.00 1.00 H new ATOM 0 HA ALA A 39 -12.021 -0.827 -2.597 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -10.121 0.660 -3.134 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -9.609 -1.039 -3.003 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -9.802 -0.289 -4.605 1.00 1.00 H new ATOM 416 N GLN A 40 -13.045 1.251 -3.661 1.00 1.00 N ATOM 417 CA GLN A 40 -13.876 2.271 -4.294 1.00 1.00 C ATOM 418 C GLN A 40 -13.256 3.659 -4.142 1.00 1.00 C ATOM 419 O GLN A 40 -12.883 4.293 -5.129 1.00 1.00 O ATOM 420 CB GLN A 40 -15.281 2.260 -3.690 1.00 1.00 C ATOM 421 CG GLN A 40 -16.351 2.798 -4.626 1.00 1.00 C ATOM 422 CD GLN A 40 -16.416 4.313 -4.627 1.00 1.00 C ATOM 423 OE1 GLN A 40 -15.749 4.975 -3.832 1.00 1.00 O ATOM 424 NE2 GLN A 40 -17.223 4.870 -5.523 1.00 1.00 N ATOM 0 H GLN A 40 -12.924 1.367 -2.655 1.00 1.00 H new ATOM 0 HA GLN A 40 -13.941 2.039 -5.357 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -15.538 1.239 -3.407 1.00 1.00 H new ATOM 0 HB3 GLN A 40 -15.279 2.853 -2.775 1.00 1.00 H new ATOM 0 HG2 GLN A 40 -16.154 2.446 -5.638 1.00 1.00 H new ATOM 0 HG3 GLN A 40 -17.321 2.396 -4.332 1.00 1.00 H new ATOM 0 HE21 GLN A 40 -17.758 4.282 -6.163 1.00 1.00 H new ATOM 0 HE22 GLN A 40 -17.308 5.885 -5.571 1.00 1.00 H new ATOM 433 N LYS A 41 -13.155 4.127 -2.901 1.00 1.00 N ATOM 434 CA LYS A 41 -12.586 5.444 -2.622 1.00 1.00 C ATOM 435 C LYS A 41 -11.195 5.586 -3.235 1.00 1.00 C ATOM 436 O LYS A 41 -10.683 4.658 -3.860 1.00 1.00 O ATOM 437 CB LYS A 41 -12.515 5.686 -1.112 1.00 1.00 C ATOM 438 CG LYS A 41 -11.864 4.549 -0.343 1.00 1.00 C ATOM 439 CD LYS A 41 -12.901 3.620 0.269 1.00 1.00 C ATOM 440 CE LYS A 41 -12.439 3.080 1.613 1.00 1.00 C ATOM 441 NZ LYS A 41 -13.296 1.958 2.085 1.00 1.00 N ATOM 0 H LYS A 41 -13.459 3.615 -2.073 1.00 1.00 H new ATOM 0 HA LYS A 41 -13.239 6.191 -3.074 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -11.959 6.605 -0.926 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -13.524 5.841 -0.730 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -11.216 3.982 -1.011 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -11.231 4.958 0.445 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -13.842 4.155 0.395 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -13.095 2.790 -0.411 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -11.407 2.739 1.532 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -12.453 3.882 2.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -12.948 1.618 3.004 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.277 2.289 2.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -13.263 1.182 1.394 1.00 1.00 H new ATOM 455 N GLU A 42 -10.593 6.757 -3.052 1.00 1.00 N ATOM 456 CA GLU A 42 -9.263 7.027 -3.588 1.00 1.00 C ATOM 457 C GLU A 42 -8.194 6.858 -2.513 1.00 1.00 C ATOM 458 O GLU A 42 -7.054 6.501 -2.811 1.00 1.00 O ATOM 459 CB GLU A 42 -9.203 8.443 -4.163 1.00 1.00 C ATOM 460 CG GLU A 42 -9.670 9.515 -3.192 1.00 1.00 C ATOM 461 CD GLU A 42 -9.136 10.890 -3.539 1.00 1.00 C ATOM 462 OE1 GLU A 42 -8.027 10.970 -4.109 1.00 1.00 O ATOM 463 OE2 GLU A 42 -9.826 11.888 -3.242 1.00 1.00 O ATOM 0 H GLU A 42 -11.005 7.535 -2.536 1.00 1.00 H new ATOM 0 HA GLU A 42 -9.067 6.308 -4.383 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -8.179 8.660 -4.465 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -9.817 8.487 -5.063 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -10.760 9.544 -3.185 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -9.352 9.250 -2.184 1.00 1.00 H new ATOM 470 N THR A 43 -8.567 7.113 -1.263 1.00 1.00 N ATOM 471 CA THR A 43 -7.633 6.985 -0.149 1.00 1.00 C ATOM 472 C THR A 43 -7.950 5.745 0.680 1.00 1.00 C ATOM 473 O THR A 43 -9.096 5.299 0.733 1.00 1.00 O ATOM 474 CB THR A 43 -7.676 8.234 0.736 1.00 1.00 C ATOM 475 OG1 THR A 43 -8.319 9.303 0.065 1.00 1.00 O ATOM 476 CG2 THR A 43 -6.304 8.715 1.156 1.00 1.00 C ATOM 0 H THR A 43 -9.506 7.409 -0.996 1.00 1.00 H new ATOM 0 HA THR A 43 -6.629 6.882 -0.560 1.00 1.00 H new ATOM 0 HB THR A 43 -8.229 7.938 1.627 1.00 1.00 H new ATOM 0 HG1 THR A 43 -8.338 10.091 0.648 1.00 1.00 H new ATOM 0 HG21 THR A 43 -6.405 9.602 1.781 1.00 1.00 H new ATOM 0 HG22 THR A 43 -5.800 7.930 1.720 1.00 1.00 H new ATOM 0 HG23 THR A 43 -5.717 8.960 0.270 1.00 1.00 H new ATOM 484 N PHE A 44 -6.929 5.188 1.321 1.00 1.00 N ATOM 485 CA PHE A 44 -7.104 3.995 2.140 1.00 1.00 C ATOM 486 C PHE A 44 -6.093 3.955 3.279 1.00 1.00 C ATOM 487 O PHE A 44 -4.944 4.364 3.116 1.00 1.00 O ATOM 488 CB PHE A 44 -6.945 2.738 1.283 1.00 1.00 C ATOM 489 CG PHE A 44 -7.836 2.705 0.078 1.00 1.00 C ATOM 490 CD1 PHE A 44 -7.478 3.372 -1.083 1.00 1.00 C ATOM 491 CD2 PHE A 44 -9.028 2.002 0.103 1.00 1.00 C ATOM 492 CE1 PHE A 44 -8.295 3.338 -2.197 1.00 1.00 C ATOM 493 CE2 PHE A 44 -9.848 1.965 -1.007 1.00 1.00 C ATOM 494 CZ PHE A 44 -9.481 2.634 -2.158 1.00 1.00 C ATOM 0 H PHE A 44 -5.973 5.543 1.289 1.00 1.00 H new ATOM 0 HA PHE A 44 -8.108 4.028 2.564 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -5.908 2.662 0.957 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -7.151 1.862 1.899 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.551 3.924 -1.117 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -9.320 1.477 1.000 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -8.006 3.861 -3.096 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -10.776 1.413 -0.975 1.00 1.00 H new ATOM 0 HZ PHE A 44 -10.122 2.606 -3.027 1.00 1.00 H new ATOM 504 N THR A 45 -6.520 3.441 4.428 1.00 1.00 N ATOM 505 CA THR A 45 -5.637 3.330 5.580 1.00 1.00 C ATOM 506 C THR A 45 -4.710 2.133 5.406 1.00 1.00 C ATOM 507 O THR A 45 -5.087 1.131 4.798 1.00 1.00 O ATOM 508 CB THR A 45 -6.445 3.203 6.876 1.00 1.00 C ATOM 509 OG1 THR A 45 -7.566 2.358 6.687 1.00 1.00 O ATOM 510 CG2 THR A 45 -6.954 4.532 7.403 1.00 1.00 C ATOM 0 H THR A 45 -7.467 3.097 4.584 1.00 1.00 H new ATOM 0 HA THR A 45 -5.036 4.236 5.649 1.00 1.00 H new ATOM 0 HB THR A 45 -5.752 2.785 7.606 1.00 1.00 H new ATOM 0 HG1 THR A 45 -8.068 2.288 7.526 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.517 4.368 8.322 1.00 1.00 H new ATOM 0 HG22 THR A 45 -6.109 5.190 7.608 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.602 4.995 6.658 1.00 1.00 H new ATOM 518 N MET A 46 -3.488 2.254 5.918 1.00 1.00 N ATOM 519 CA MET A 46 -2.488 1.197 5.801 1.00 1.00 C ATOM 520 C MET A 46 -3.092 -0.197 5.968 1.00 1.00 C ATOM 521 O MET A 46 -2.635 -1.153 5.345 1.00 1.00 O ATOM 522 CB MET A 46 -1.371 1.413 6.819 1.00 1.00 C ATOM 523 CG MET A 46 0.012 1.264 6.216 1.00 1.00 C ATOM 524 SD MET A 46 0.618 2.788 5.472 1.00 1.00 S ATOM 525 CE MET A 46 0.790 2.268 3.767 1.00 1.00 C ATOM 0 H MET A 46 -3.165 3.080 6.422 1.00 1.00 H new ATOM 0 HA MET A 46 -2.078 1.252 4.793 1.00 1.00 H new ATOM 0 HB2 MET A 46 -1.468 2.409 7.252 1.00 1.00 H new ATOM 0 HB3 MET A 46 -1.486 0.698 7.634 1.00 1.00 H new ATOM 0 HG2 MET A 46 0.708 0.942 6.990 1.00 1.00 H new ATOM 0 HG3 MET A 46 -0.009 0.479 5.460 1.00 1.00 H new ATOM 0 HE1 MET A 46 1.847 2.156 3.526 1.00 1.00 H new ATOM 0 HE2 MET A 46 0.282 1.314 3.625 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.345 3.017 3.112 1.00 1.00 H new ATOM 535 N LYS A 47 -4.118 -0.310 6.802 1.00 1.00 N ATOM 536 CA LYS A 47 -4.768 -1.597 7.026 1.00 1.00 C ATOM 537 C LYS A 47 -5.549 -2.030 5.790 1.00 1.00 C ATOM 538 O LYS A 47 -5.465 -3.181 5.363 1.00 1.00 O ATOM 539 CB LYS A 47 -5.695 -1.525 8.238 1.00 1.00 C ATOM 540 CG LYS A 47 -5.612 -2.756 9.124 1.00 1.00 C ATOM 541 CD LYS A 47 -4.527 -2.623 10.186 1.00 1.00 C ATOM 542 CE LYS A 47 -3.197 -2.166 9.603 1.00 1.00 C ATOM 543 NZ LYS A 47 -2.561 -3.225 8.770 1.00 1.00 N ATOM 0 H LYS A 47 -4.516 0.466 7.331 1.00 1.00 H new ATOM 0 HA LYS A 47 -3.994 -2.339 7.222 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -5.445 -0.643 8.827 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -6.722 -1.399 7.896 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -6.575 -2.920 9.608 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -5.411 -3.633 8.508 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -4.851 -1.912 10.946 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -4.391 -3.583 10.685 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -3.354 -1.273 8.997 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -2.523 -1.887 10.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -2.134 -2.793 7.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -1.824 -3.706 9.324 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -3.281 -3.916 8.478 1.00 1.00 H new ATOM 557 N GLU A 48 -6.300 -1.098 5.212 1.00 1.00 N ATOM 558 CA GLU A 48 -7.086 -1.385 4.018 1.00 1.00 C ATOM 559 C GLU A 48 -6.172 -1.592 2.816 1.00 1.00 C ATOM 560 O GLU A 48 -6.317 -2.561 2.073 1.00 1.00 O ATOM 561 CB GLU A 48 -8.070 -0.249 3.737 1.00 1.00 C ATOM 562 CG GLU A 48 -8.825 0.223 4.969 1.00 1.00 C ATOM 563 CD GLU A 48 -10.314 -0.053 4.883 1.00 1.00 C ATOM 564 OE1 GLU A 48 -10.889 0.123 3.788 1.00 1.00 O ATOM 565 OE2 GLU A 48 -10.906 -0.444 5.912 1.00 1.00 O ATOM 0 H GLU A 48 -6.381 -0.139 5.551 1.00 1.00 H new ATOM 0 HA GLU A 48 -7.650 -2.301 4.193 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -7.526 0.594 3.310 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -8.788 -0.579 2.986 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -8.418 -0.271 5.851 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -8.665 1.293 5.101 1.00 1.00 H new ATOM 572 N VAL A 49 -5.221 -0.678 2.637 1.00 1.00 N ATOM 573 CA VAL A 49 -4.275 -0.766 1.529 1.00 1.00 C ATOM 574 C VAL A 49 -3.585 -2.124 1.519 1.00 1.00 C ATOM 575 O VAL A 49 -3.709 -2.893 0.566 1.00 1.00 O ATOM 576 CB VAL A 49 -3.199 0.334 1.611 1.00 1.00 C ATOM 577 CG1 VAL A 49 -2.350 0.346 0.349 1.00 1.00 C ATOM 578 CG2 VAL A 49 -3.833 1.697 1.848 1.00 1.00 C ATOM 0 H VAL A 49 -5.086 0.130 3.244 1.00 1.00 H new ATOM 0 HA VAL A 49 -4.848 -0.632 0.611 1.00 1.00 H new ATOM 0 HB VAL A 49 -2.550 0.113 2.458 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -1.596 1.129 0.425 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -1.859 -0.620 0.231 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -2.986 0.538 -0.515 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -3.053 2.457 1.902 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -4.511 1.931 1.027 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -4.390 1.681 2.785 1.00 1.00 H new ATOM 588 N LEU A 50 -2.861 -2.410 2.595 1.00 1.00 N ATOM 589 CA LEU A 50 -2.148 -3.673 2.731 1.00 1.00 C ATOM 590 C LEU A 50 -3.100 -4.862 2.606 1.00 1.00 C ATOM 591 O LEU A 50 -2.680 -5.975 2.291 1.00 1.00 O ATOM 592 CB LEU A 50 -1.426 -3.717 4.079 1.00 1.00 C ATOM 593 CG LEU A 50 0.008 -4.238 4.024 1.00 1.00 C ATOM 594 CD1 LEU A 50 0.657 -4.166 5.398 1.00 1.00 C ATOM 595 CD2 LEU A 50 0.044 -5.661 3.489 1.00 1.00 C ATOM 0 H LEU A 50 -2.753 -1.780 3.390 1.00 1.00 H new ATOM 0 HA LEU A 50 -1.417 -3.742 1.925 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -1.416 -2.713 4.502 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -1.999 -4.345 4.761 1.00 1.00 H new ATOM 0 HG LEU A 50 0.575 -3.603 3.343 1.00 1.00 H new ATOM 0 HD11 LEU A 50 1.678 -4.542 5.338 1.00 1.00 H new ATOM 0 HD12 LEU A 50 0.670 -3.131 5.740 1.00 1.00 H new ATOM 0 HD13 LEU A 50 0.088 -4.773 6.102 1.00 1.00 H new ATOM 0 HD21 LEU A 50 1.075 -6.012 3.458 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -0.541 -6.310 4.141 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -0.377 -5.682 2.484 1.00 1.00 H new ATOM 607 N TYR A 51 -4.382 -4.620 2.861 1.00 1.00 N ATOM 608 CA TYR A 51 -5.389 -5.675 2.784 1.00 1.00 C ATOM 609 C TYR A 51 -5.715 -6.035 1.334 1.00 1.00 C ATOM 610 O TYR A 51 -5.569 -7.190 0.927 1.00 1.00 O ATOM 611 CB TYR A 51 -6.663 -5.255 3.523 1.00 1.00 C ATOM 612 CG TYR A 51 -7.744 -6.313 3.518 1.00 1.00 C ATOM 613 CD1 TYR A 51 -7.610 -7.472 4.272 1.00 1.00 C ATOM 614 CD2 TYR A 51 -8.897 -6.152 2.760 1.00 1.00 C ATOM 615 CE1 TYR A 51 -8.595 -8.442 4.270 1.00 1.00 C ATOM 616 CE2 TYR A 51 -9.886 -7.116 2.753 1.00 1.00 C ATOM 617 CZ TYR A 51 -9.731 -8.259 3.509 1.00 1.00 C ATOM 618 OH TYR A 51 -10.714 -9.222 3.505 1.00 1.00 O ATOM 0 H TYR A 51 -4.749 -3.705 3.122 1.00 1.00 H new ATOM 0 HA TYR A 51 -4.975 -6.561 3.265 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.410 -5.011 4.555 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -7.054 -4.346 3.067 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -6.722 -7.618 4.869 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -9.022 -5.258 2.166 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -8.476 -9.338 4.861 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -10.777 -6.975 2.158 1.00 1.00 H new ATOM 0 HH TYR A 51 -11.447 -8.939 2.919 1.00 1.00 H new ATOM 628 N HIS A 52 -6.156 -5.051 0.551 1.00 1.00 N ATOM 629 CA HIS A 52 -6.492 -5.301 -0.849 1.00 1.00 C ATOM 630 C HIS A 52 -5.306 -5.925 -1.574 1.00 1.00 C ATOM 631 O HIS A 52 -5.466 -6.879 -2.333 1.00 1.00 O ATOM 632 CB HIS A 52 -6.922 -4.017 -1.566 1.00 1.00 C ATOM 633 CG HIS A 52 -7.717 -3.074 -0.716 1.00 1.00 C ATOM 634 ND1 HIS A 52 -8.978 -3.369 -0.242 1.00 1.00 N ATOM 635 CD2 HIS A 52 -7.429 -1.829 -0.263 1.00 1.00 C ATOM 636 CE1 HIS A 52 -9.432 -2.347 0.463 1.00 1.00 C ATOM 637 NE2 HIS A 52 -8.511 -1.402 0.466 1.00 1.00 N ATOM 0 H HIS A 52 -6.287 -4.087 0.857 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.333 -5.994 -0.866 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.032 -3.501 -1.927 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -7.513 -4.284 -2.442 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -9.482 -4.240 -0.409 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.519 -1.276 -0.442 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -10.393 -2.294 0.953 1.00 1.00 H new ATOM 646 N LEU A 53 -4.112 -5.385 -1.328 1.00 1.00 N ATOM 647 CA LEU A 53 -2.899 -5.888 -1.943 1.00 1.00 C ATOM 648 C LEU A 53 -2.839 -7.410 -1.871 1.00 1.00 C ATOM 649 O LEU A 53 -2.601 -8.078 -2.877 1.00 1.00 O ATOM 650 CB LEU A 53 -1.687 -5.269 -1.253 1.00 1.00 C ATOM 651 CG LEU A 53 -0.794 -4.438 -2.167 1.00 1.00 C ATOM 652 CD1 LEU A 53 -1.621 -3.477 -3.008 1.00 1.00 C ATOM 653 CD2 LEU A 53 0.253 -3.686 -1.358 1.00 1.00 C ATOM 0 H LEU A 53 -3.966 -4.594 -0.701 1.00 1.00 H new ATOM 0 HA LEU A 53 -2.896 -5.608 -2.996 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -2.034 -4.639 -0.434 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -1.090 -6.067 -0.811 1.00 1.00 H new ATOM 0 HG LEU A 53 -0.277 -5.118 -2.844 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -0.961 -2.896 -3.651 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -2.322 -4.042 -3.623 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -2.174 -2.804 -2.353 1.00 1.00 H new ATOM 0 HD21 LEU A 53 0.880 -3.099 -2.030 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -0.242 -3.021 -0.651 1.00 1.00 H new ATOM 0 HD23 LEU A 53 0.873 -4.398 -0.813 1.00 1.00 H new ATOM 665 N GLY A 54 -3.075 -7.954 -0.680 1.00 1.00 N ATOM 666 CA GLY A 54 -3.060 -9.395 -0.516 1.00 1.00 C ATOM 667 C GLY A 54 -4.020 -10.071 -1.472 1.00 1.00 C ATOM 668 O GLY A 54 -3.706 -11.111 -2.053 1.00 1.00 O ATOM 0 H GLY A 54 -3.275 -7.425 0.169 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -2.051 -9.771 -0.685 1.00 1.00 H new ATOM 0 HA3 GLY A 54 -3.327 -9.649 0.510 1.00 1.00 H new ATOM 672 N GLN A 55 -5.190 -9.463 -1.646 1.00 1.00 N ATOM 673 CA GLN A 55 -6.201 -9.994 -2.551 1.00 1.00 C ATOM 674 C GLN A 55 -5.845 -9.667 -4.000 1.00 1.00 C ATOM 675 O GLN A 55 -6.207 -10.398 -4.921 1.00 1.00 O ATOM 676 CB GLN A 55 -7.577 -9.420 -2.209 1.00 1.00 C ATOM 677 CG GLN A 55 -7.917 -9.496 -0.729 1.00 1.00 C ATOM 678 CD GLN A 55 -9.383 -9.222 -0.454 1.00 1.00 C ATOM 679 OE1 GLN A 55 -9.728 -8.269 0.244 1.00 1.00 O ATOM 680 NE2 GLN A 55 -10.255 -10.060 -1.002 1.00 1.00 N ATOM 0 H GLN A 55 -5.460 -8.602 -1.171 1.00 1.00 H new ATOM 0 HA GLN A 55 -6.232 -11.077 -2.433 1.00 1.00 H new ATOM 0 HB2 GLN A 55 -7.617 -8.379 -2.530 1.00 1.00 H new ATOM 0 HB3 GLN A 55 -8.337 -9.958 -2.776 1.00 1.00 H new ATOM 0 HG2 GLN A 55 -7.659 -10.485 -0.351 1.00 1.00 H new ATOM 0 HG3 GLN A 55 -7.308 -8.776 -0.182 1.00 1.00 H new ATOM 0 HE21 GLN A 55 -9.925 -10.837 -1.574 1.00 1.00 H new ATOM 0 HE22 GLN A 55 -11.255 -9.926 -0.851 1.00 1.00 H new ATOM 689 N TYR A 56 -5.130 -8.560 -4.188 1.00 1.00 N ATOM 690 CA TYR A 56 -4.715 -8.124 -5.517 1.00 1.00 C ATOM 691 C TYR A 56 -3.726 -9.117 -6.124 1.00 1.00 C ATOM 692 O TYR A 56 -3.890 -9.553 -7.264 1.00 1.00 O ATOM 693 CB TYR A 56 -4.087 -6.726 -5.436 1.00 1.00 C ATOM 694 CG TYR A 56 -3.329 -6.315 -6.680 1.00 1.00 C ATOM 695 CD1 TYR A 56 -3.998 -5.846 -7.803 1.00 1.00 C ATOM 696 CD2 TYR A 56 -1.945 -6.410 -6.733 1.00 1.00 C ATOM 697 CE1 TYR A 56 -3.309 -5.485 -8.945 1.00 1.00 C ATOM 698 CE2 TYR A 56 -1.248 -6.048 -7.870 1.00 1.00 C ATOM 699 CZ TYR A 56 -1.935 -5.587 -8.973 1.00 1.00 C ATOM 700 OH TYR A 56 -1.245 -5.229 -10.109 1.00 1.00 O ATOM 0 H TYR A 56 -4.825 -7.947 -3.432 1.00 1.00 H new ATOM 0 HA TYR A 56 -5.593 -8.081 -6.161 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -4.874 -5.996 -5.246 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -3.409 -6.693 -4.583 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -5.075 -5.762 -7.783 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -1.404 -6.773 -5.871 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -3.844 -5.125 -9.811 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -0.171 -6.126 -7.895 1.00 1.00 H new ATOM 0 HH TYR A 56 -0.285 -5.359 -9.963 1.00 1.00 H new ATOM 710 N ILE A 57 -2.700 -9.468 -5.356 1.00 1.00 N ATOM 711 CA ILE A 57 -1.685 -10.408 -5.817 1.00 1.00 C ATOM 712 C ILE A 57 -2.307 -11.754 -6.178 1.00 1.00 C ATOM 713 O ILE A 57 -2.126 -12.252 -7.288 1.00 1.00 O ATOM 714 CB ILE A 57 -0.590 -10.621 -4.751 1.00 1.00 C ATOM 715 CG1 ILE A 57 0.029 -9.280 -4.355 1.00 1.00 C ATOM 716 CG2 ILE A 57 0.483 -11.576 -5.262 1.00 1.00 C ATOM 717 CD1 ILE A 57 1.110 -9.399 -3.304 1.00 1.00 C ATOM 0 H ILE A 57 -2.549 -9.115 -4.411 1.00 1.00 H new ATOM 0 HA ILE A 57 -1.230 -9.974 -6.707 1.00 1.00 H new ATOM 0 HB ILE A 57 -1.049 -11.068 -3.869 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.448 -8.806 -5.243 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -0.757 -8.622 -3.983 1.00 1.00 H new ATOM 0 HG21 ILE A 57 1.245 -11.712 -4.494 1.00 1.00 H new ATOM 0 HG22 ILE A 57 0.030 -12.539 -5.498 1.00 1.00 H new ATOM 0 HG23 ILE A 57 0.942 -11.161 -6.159 1.00 1.00 H new ATOM 0 HD11 ILE A 57 1.503 -8.409 -3.073 1.00 1.00 H new ATOM 0 HD12 ILE A 57 0.692 -9.844 -2.401 1.00 1.00 H new ATOM 0 HD13 ILE A 57 1.915 -10.030 -3.680 1.00 1.00 H new ATOM 729 N MET A 58 -3.042 -12.337 -5.235 1.00 1.00 N ATOM 730 CA MET A 58 -3.690 -13.624 -5.465 1.00 1.00 C ATOM 731 C MET A 58 -4.618 -13.553 -6.673 1.00 1.00 C ATOM 732 O MET A 58 -4.806 -14.541 -7.384 1.00 1.00 O ATOM 733 CB MET A 58 -4.473 -14.058 -4.223 1.00 1.00 C ATOM 734 CG MET A 58 -5.677 -13.180 -3.922 1.00 1.00 C ATOM 735 SD MET A 58 -6.571 -13.711 -2.449 1.00 1.00 S ATOM 736 CE MET A 58 -8.082 -14.339 -3.177 1.00 1.00 C ATOM 0 H MET A 58 -3.203 -11.941 -4.309 1.00 1.00 H new ATOM 0 HA MET A 58 -2.915 -14.363 -5.668 1.00 1.00 H new ATOM 0 HB2 MET A 58 -4.809 -15.086 -4.357 1.00 1.00 H new ATOM 0 HB3 MET A 58 -3.805 -14.051 -3.362 1.00 1.00 H new ATOM 0 HG2 MET A 58 -5.347 -12.150 -3.790 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.353 -13.191 -4.777 1.00 1.00 H new ATOM 0 HE1 MET A 58 -8.741 -14.705 -2.389 1.00 1.00 H new ATOM 0 HE2 MET A 58 -8.581 -13.540 -3.725 1.00 1.00 H new ATOM 0 HE3 MET A 58 -7.845 -15.155 -3.860 1.00 1.00 H new ATOM 746 N ALA A 59 -5.191 -12.376 -6.904 1.00 1.00 N ATOM 747 CA ALA A 59 -6.093 -12.173 -8.031 1.00 1.00 C ATOM 748 C ALA A 59 -5.318 -12.156 -9.343 1.00 1.00 C ATOM 749 O ALA A 59 -5.569 -12.966 -10.235 1.00 1.00 O ATOM 750 CB ALA A 59 -6.874 -10.880 -7.857 1.00 1.00 C ATOM 0 H ALA A 59 -5.046 -11.549 -6.325 1.00 1.00 H new ATOM 0 HA ALA A 59 -6.799 -13.003 -8.062 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -7.543 -10.742 -8.706 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -7.459 -10.929 -6.938 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -6.181 -10.041 -7.801 1.00 1.00 H new ATOM 756 N LYS A 60 -4.369 -11.232 -9.450 1.00 1.00 N ATOM 757 CA LYS A 60 -3.549 -11.114 -10.649 1.00 1.00 C ATOM 758 C LYS A 60 -2.702 -12.368 -10.851 1.00 1.00 C ATOM 759 O LYS A 60 -2.268 -12.664 -11.964 1.00 1.00 O ATOM 760 CB LYS A 60 -2.644 -9.885 -10.554 1.00 1.00 C ATOM 761 CG LYS A 60 -3.334 -8.587 -10.941 1.00 1.00 C ATOM 762 CD LYS A 60 -4.597 -8.360 -10.126 1.00 1.00 C ATOM 763 CE LYS A 60 -5.295 -7.070 -10.527 1.00 1.00 C ATOM 764 NZ LYS A 60 -6.498 -7.326 -11.365 1.00 1.00 N ATOM 0 H LYS A 60 -4.149 -10.554 -8.720 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.214 -11.002 -11.506 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -2.271 -9.798 -9.534 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -1.778 -10.032 -11.199 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -2.649 -7.752 -10.792 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -3.584 -8.609 -12.002 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.277 -9.201 -10.265 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -4.346 -8.325 -9.066 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.587 -6.522 -9.631 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.599 -6.436 -11.076 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.945 -6.421 -11.617 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.217 -7.827 -12.232 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.174 -7.909 -10.832 1.00 1.00 H new ATOM 778 N GLN A 61 -2.470 -13.103 -9.764 1.00 1.00 N ATOM 779 CA GLN A 61 -1.675 -14.326 -9.817 1.00 1.00 C ATOM 780 C GLN A 61 -0.210 -14.011 -10.103 1.00 1.00 C ATOM 781 O GLN A 61 0.326 -14.384 -11.147 1.00 1.00 O ATOM 782 CB GLN A 61 -2.226 -15.279 -10.880 1.00 1.00 C ATOM 783 CG GLN A 61 -1.669 -16.690 -10.780 1.00 1.00 C ATOM 784 CD GLN A 61 -2.716 -17.704 -10.361 1.00 1.00 C ATOM 785 OE1 GLN A 61 -2.762 -18.818 -10.884 1.00 1.00 O ATOM 786 NE2 GLN A 61 -3.565 -17.322 -9.414 1.00 1.00 N ATOM 0 H GLN A 61 -2.823 -12.871 -8.835 1.00 1.00 H new ATOM 0 HA GLN A 61 -1.739 -14.811 -8.843 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.312 -15.319 -10.792 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -2.000 -14.877 -11.868 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -1.253 -16.981 -11.744 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -0.849 -16.703 -10.062 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -3.490 -16.389 -9.008 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -4.292 -17.961 -9.092 1.00 1.00 H new ATOM 795 N LEU A 62 0.434 -13.323 -9.165 1.00 1.00 N ATOM 796 CA LEU A 62 1.839 -12.959 -9.313 1.00 1.00 C ATOM 797 C LEU A 62 2.728 -13.799 -8.396 1.00 1.00 C ATOM 798 O LEU A 62 3.924 -13.535 -8.268 1.00 1.00 O ATOM 799 CB LEU A 62 2.040 -11.473 -9.006 1.00 1.00 C ATOM 800 CG LEU A 62 0.900 -10.553 -9.448 1.00 1.00 C ATOM 801 CD1 LEU A 62 1.270 -9.098 -9.209 1.00 1.00 C ATOM 802 CD2 LEU A 62 0.563 -10.786 -10.913 1.00 1.00 C ATOM 0 H LEU A 62 0.006 -13.007 -8.295 1.00 1.00 H new ATOM 0 HA LEU A 62 2.126 -13.156 -10.346 1.00 1.00 H new ATOM 0 HB2 LEU A 62 2.182 -11.357 -7.932 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.960 -11.141 -9.487 1.00 1.00 H new ATOM 0 HG LEU A 62 0.017 -10.786 -8.853 1.00 1.00 H new ATOM 0 HD11 LEU A 62 0.449 -8.457 -9.529 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.461 -8.941 -8.147 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.166 -8.852 -9.779 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -0.250 -10.123 -11.209 1.00 1.00 H new ATOM 0 HD22 LEU A 62 1.441 -10.580 -11.525 1.00 1.00 H new ATOM 0 HD23 LEU A 62 0.256 -11.822 -11.055 1.00 1.00 H new ATOM 814 N TYR A 63 2.142 -14.810 -7.758 1.00 1.00 N ATOM 815 CA TYR A 63 2.889 -15.679 -6.856 1.00 1.00 C ATOM 816 C TYR A 63 3.431 -16.896 -7.598 1.00 1.00 C ATOM 817 O TYR A 63 2.914 -17.277 -8.648 1.00 1.00 O ATOM 818 CB TYR A 63 2.000 -16.128 -5.696 1.00 1.00 C ATOM 819 CG TYR A 63 0.728 -16.815 -6.139 1.00 1.00 C ATOM 820 CD1 TYR A 63 0.757 -18.101 -6.665 1.00 1.00 C ATOM 821 CD2 TYR A 63 -0.502 -16.177 -6.034 1.00 1.00 C ATOM 822 CE1 TYR A 63 -0.403 -18.731 -7.074 1.00 1.00 C ATOM 823 CE2 TYR A 63 -1.666 -16.801 -6.440 1.00 1.00 C ATOM 824 CZ TYR A 63 -1.611 -18.077 -6.959 1.00 1.00 C ATOM 825 OH TYR A 63 -2.768 -18.702 -7.364 1.00 1.00 O ATOM 0 H TYR A 63 1.154 -15.046 -7.850 1.00 1.00 H new ATOM 0 HA TYR A 63 3.732 -15.113 -6.460 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.566 -16.806 -5.057 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.742 -15.260 -5.090 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.702 -18.617 -6.756 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -0.549 -15.177 -5.628 1.00 1.00 H new ATOM 0 HE1 TYR A 63 -0.363 -19.730 -7.482 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -2.614 -16.292 -6.351 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.543 -18.221 -7.004 1.00 1.00 H new ATOM 835 N ASP A 64 4.477 -17.503 -7.046 1.00 1.00 N ATOM 836 CA ASP A 64 5.090 -18.677 -7.656 1.00 1.00 C ATOM 837 C ASP A 64 4.389 -19.954 -7.204 1.00 1.00 C ATOM 838 O ASP A 64 3.962 -20.067 -6.055 1.00 1.00 O ATOM 839 CB ASP A 64 6.577 -18.742 -7.304 1.00 1.00 C ATOM 840 CG ASP A 64 7.290 -19.878 -8.011 1.00 1.00 C ATOM 841 OD1 ASP A 64 7.641 -19.711 -9.198 1.00 1.00 O ATOM 842 OD2 ASP A 64 7.497 -20.935 -7.378 1.00 1.00 O ATOM 0 H ASP A 64 4.918 -17.201 -6.177 1.00 1.00 H new ATOM 0 HA ASP A 64 4.984 -18.592 -8.738 1.00 1.00 H new ATOM 0 HB2 ASP A 64 7.052 -17.798 -7.570 1.00 1.00 H new ATOM 0 HB3 ASP A 64 6.687 -18.862 -6.226 1.00 1.00 H new ATOM 847 N GLU A 65 4.271 -20.913 -8.117 1.00 1.00 N ATOM 848 CA GLU A 65 3.619 -22.183 -7.815 1.00 1.00 C ATOM 849 C GLU A 65 4.366 -22.933 -6.716 1.00 1.00 C ATOM 850 O GLU A 65 3.791 -23.271 -5.682 1.00 1.00 O ATOM 851 CB GLU A 65 3.532 -23.046 -9.076 1.00 1.00 C ATOM 852 CG GLU A 65 2.108 -23.408 -9.467 1.00 1.00 C ATOM 853 CD GLU A 65 1.611 -24.657 -8.765 1.00 1.00 C ATOM 854 OE1 GLU A 65 2.420 -25.587 -8.563 1.00 1.00 O ATOM 855 OE2 GLU A 65 0.412 -24.705 -8.418 1.00 1.00 O ATOM 0 H GLU A 65 4.619 -20.835 -9.073 1.00 1.00 H new ATOM 0 HA GLU A 65 2.611 -21.971 -7.459 1.00 1.00 H new ATOM 0 HB2 GLU A 65 4.003 -22.515 -9.903 1.00 1.00 H new ATOM 0 HB3 GLU A 65 4.101 -23.962 -8.919 1.00 1.00 H new ATOM 0 HG2 GLU A 65 1.447 -22.575 -9.230 1.00 1.00 H new ATOM 0 HG3 GLU A 65 2.058 -23.557 -10.546 1.00 1.00 H new ATOM 862 N LYS A 66 5.650 -23.191 -6.947 1.00 1.00 N ATOM 863 CA LYS A 66 6.475 -23.902 -5.975 1.00 1.00 C ATOM 864 C LYS A 66 6.418 -23.220 -4.612 1.00 1.00 C ATOM 865 O LYS A 66 6.120 -23.855 -3.601 1.00 1.00 O ATOM 866 CB LYS A 66 7.923 -23.978 -6.463 1.00 1.00 C ATOM 867 CG LYS A 66 8.069 -24.599 -7.843 1.00 1.00 C ATOM 868 CD LYS A 66 8.393 -23.551 -8.896 1.00 1.00 C ATOM 869 CE LYS A 66 8.984 -24.182 -10.146 1.00 1.00 C ATOM 870 NZ LYS A 66 10.058 -23.338 -10.739 1.00 1.00 N ATOM 0 H LYS A 66 6.142 -22.919 -7.798 1.00 1.00 H new ATOM 0 HA LYS A 66 6.082 -24.913 -5.871 1.00 1.00 H new ATOM 0 HB2 LYS A 66 8.345 -22.973 -6.480 1.00 1.00 H new ATOM 0 HB3 LYS A 66 8.508 -24.558 -5.749 1.00 1.00 H new ATOM 0 HG2 LYS A 66 8.857 -25.351 -7.823 1.00 1.00 H new ATOM 0 HG3 LYS A 66 7.146 -25.112 -8.111 1.00 1.00 H new ATOM 0 HD2 LYS A 66 7.487 -23.004 -9.157 1.00 1.00 H new ATOM 0 HD3 LYS A 66 9.096 -22.826 -8.485 1.00 1.00 H new ATOM 0 HE2 LYS A 66 9.388 -25.164 -9.901 1.00 1.00 H new ATOM 0 HE3 LYS A 66 8.195 -24.336 -10.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 10.435 -23.803 -11.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 9.667 -22.409 -10.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 10.823 -23.211 -10.046 1.00 1.00 H new ATOM 884 N GLN A 67 6.700 -21.921 -4.595 1.00 1.00 N ATOM 885 CA GLN A 67 6.673 -21.149 -3.358 1.00 1.00 C ATOM 886 C GLN A 67 5.598 -20.069 -3.425 1.00 1.00 C ATOM 887 O GLN A 67 5.599 -19.234 -4.329 1.00 1.00 O ATOM 888 CB GLN A 67 8.040 -20.512 -3.087 1.00 1.00 C ATOM 889 CG GLN A 67 8.764 -20.049 -4.342 1.00 1.00 C ATOM 890 CD GLN A 67 9.389 -21.195 -5.112 1.00 1.00 C ATOM 891 OE1 GLN A 67 9.412 -22.333 -4.644 1.00 1.00 O ATOM 892 NE2 GLN A 67 9.900 -20.899 -6.302 1.00 1.00 N ATOM 0 H GLN A 67 6.950 -21.381 -5.424 1.00 1.00 H new ATOM 0 HA GLN A 67 6.437 -21.829 -2.540 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.907 -19.660 -2.421 1.00 1.00 H new ATOM 0 HB3 GLN A 67 8.668 -21.232 -2.562 1.00 1.00 H new ATOM 0 HG2 GLN A 67 8.062 -19.522 -4.988 1.00 1.00 H new ATOM 0 HG3 GLN A 67 9.540 -19.335 -4.066 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.859 -19.941 -6.651 1.00 1.00 H new ATOM 0 HE22 GLN A 67 10.333 -21.629 -6.867 1.00 1.00 H new ATOM 901 N GLN A 68 4.680 -20.094 -2.465 1.00 1.00 N ATOM 902 CA GLN A 68 3.596 -19.120 -2.420 1.00 1.00 C ATOM 903 C GLN A 68 4.050 -17.812 -1.776 1.00 1.00 C ATOM 904 O GLN A 68 3.385 -16.784 -1.908 1.00 1.00 O ATOM 905 CB GLN A 68 2.403 -19.692 -1.652 1.00 1.00 C ATOM 906 CG GLN A 68 1.587 -20.691 -2.456 1.00 1.00 C ATOM 907 CD GLN A 68 2.270 -22.039 -2.577 1.00 1.00 C ATOM 908 OE1 GLN A 68 2.915 -22.508 -1.639 1.00 1.00 O ATOM 909 NE2 GLN A 68 2.132 -22.670 -3.738 1.00 1.00 N ATOM 0 H GLN A 68 4.665 -20.778 -1.708 1.00 1.00 H new ATOM 0 HA GLN A 68 3.296 -18.907 -3.446 1.00 1.00 H new ATOM 0 HB2 GLN A 68 2.764 -20.176 -0.744 1.00 1.00 H new ATOM 0 HB3 GLN A 68 1.755 -18.873 -1.340 1.00 1.00 H new ATOM 0 HG2 GLN A 68 0.613 -20.822 -1.984 1.00 1.00 H new ATOM 0 HG3 GLN A 68 1.407 -20.289 -3.453 1.00 1.00 H new ATOM 0 HE21 GLN A 68 1.588 -22.244 -4.489 1.00 1.00 H new ATOM 0 HE22 GLN A 68 2.570 -23.580 -3.879 1.00 1.00 H new ATOM 918 N HIS A 69 5.181 -17.852 -1.076 1.00 1.00 N ATOM 919 CA HIS A 69 5.708 -16.663 -0.415 1.00 1.00 C ATOM 920 C HIS A 69 6.619 -15.860 -1.347 1.00 1.00 C ATOM 921 O HIS A 69 7.275 -14.912 -0.917 1.00 1.00 O ATOM 922 CB HIS A 69 6.462 -17.056 0.860 1.00 1.00 C ATOM 923 CG HIS A 69 7.805 -17.671 0.606 1.00 1.00 C ATOM 924 ND1 HIS A 69 8.026 -19.032 0.624 1.00 1.00 N ATOM 925 CD2 HIS A 69 9.001 -17.101 0.326 1.00 1.00 C ATOM 926 CE1 HIS A 69 9.299 -19.273 0.368 1.00 1.00 C ATOM 927 NE2 HIS A 69 9.912 -18.119 0.183 1.00 1.00 N ATOM 0 H HIS A 69 5.747 -18.691 -0.953 1.00 1.00 H new ATOM 0 HA HIS A 69 4.864 -16.027 -0.148 1.00 1.00 H new ATOM 0 HB2 HIS A 69 6.591 -16.170 1.482 1.00 1.00 H new ATOM 0 HB3 HIS A 69 5.853 -17.759 1.428 1.00 1.00 H new ATOM 0 HD1 HIS A 69 7.317 -19.742 0.807 1.00 1.00 H new ATOM 0 HD2 HIS A 69 9.201 -16.044 0.233 1.00 1.00 H new ATOM 0 HE1 HIS A 69 9.760 -20.248 0.318 1.00 1.00 H new ATOM 936 N ILE A 70 6.650 -16.239 -2.623 1.00 1.00 N ATOM 937 CA ILE A 70 7.476 -15.546 -3.605 1.00 1.00 C ATOM 938 C ILE A 70 6.617 -14.957 -4.719 1.00 1.00 C ATOM 939 O ILE A 70 5.746 -15.631 -5.269 1.00 1.00 O ATOM 940 CB ILE A 70 8.533 -16.485 -4.223 1.00 1.00 C ATOM 941 CG1 ILE A 70 9.451 -17.048 -3.136 1.00 1.00 C ATOM 942 CG2 ILE A 70 9.348 -15.752 -5.282 1.00 1.00 C ATOM 943 CD1 ILE A 70 10.061 -15.987 -2.244 1.00 1.00 C ATOM 0 H ILE A 70 6.113 -17.021 -2.999 1.00 1.00 H new ATOM 0 HA ILE A 70 7.989 -14.742 -3.077 1.00 1.00 H new ATOM 0 HB ILE A 70 8.015 -17.316 -4.702 1.00 1.00 H new ATOM 0 HG12 ILE A 70 8.884 -17.746 -2.520 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.252 -17.617 -3.608 1.00 1.00 H new ATOM 0 HG21 ILE A 70 10.088 -16.431 -5.706 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.685 -15.399 -6.072 1.00 1.00 H new ATOM 0 HG23 ILE A 70 9.855 -14.901 -4.827 1.00 1.00 H new ATOM 0 HD11 ILE A 70 10.699 -16.461 -1.498 1.00 1.00 H new ATOM 0 HD12 ILE A 70 10.656 -15.302 -2.848 1.00 1.00 H new ATOM 0 HD13 ILE A 70 9.267 -15.433 -1.743 1.00 1.00 H new ATOM 955 N VAL A 71 6.870 -13.695 -5.044 1.00 1.00 N ATOM 956 CA VAL A 71 6.123 -13.009 -6.092 1.00 1.00 C ATOM 957 C VAL A 71 7.064 -12.393 -7.122 1.00 1.00 C ATOM 958 O VAL A 71 7.732 -11.397 -6.845 1.00 1.00 O ATOM 959 CB VAL A 71 5.222 -11.904 -5.507 1.00 1.00 C ATOM 960 CG1 VAL A 71 4.224 -11.423 -6.547 1.00 1.00 C ATOM 961 CG2 VAL A 71 4.505 -12.398 -4.257 1.00 1.00 C ATOM 0 H VAL A 71 7.588 -13.125 -4.596 1.00 1.00 H new ATOM 0 HA VAL A 71 5.497 -13.757 -6.578 1.00 1.00 H new ATOM 0 HB VAL A 71 5.853 -11.061 -5.224 1.00 1.00 H new ATOM 0 HG11 VAL A 71 3.597 -10.643 -6.116 1.00 1.00 H new ATOM 0 HG12 VAL A 71 4.760 -11.023 -7.408 1.00 1.00 H new ATOM 0 HG13 VAL A 71 3.599 -12.257 -6.864 1.00 1.00 H new ATOM 0 HG21 VAL A 71 3.875 -11.602 -3.861 1.00 1.00 H new ATOM 0 HG22 VAL A 71 3.886 -13.259 -4.509 1.00 1.00 H new ATOM 0 HG23 VAL A 71 5.240 -12.686 -3.506 1.00 1.00 H new ATOM 971 N HIS A 72 7.116 -12.989 -8.311 1.00 1.00 N ATOM 972 CA HIS A 72 7.983 -12.489 -9.373 1.00 1.00 C ATOM 973 C HIS A 72 7.208 -12.264 -10.670 1.00 1.00 C ATOM 974 O HIS A 72 6.968 -13.199 -11.433 1.00 1.00 O ATOM 975 CB HIS A 72 9.143 -13.459 -9.622 1.00 1.00 C ATOM 976 CG HIS A 72 8.762 -14.904 -9.512 1.00 1.00 C ATOM 977 ND1 HIS A 72 9.578 -15.854 -8.934 1.00 1.00 N ATOM 978 CD2 HIS A 72 7.646 -15.562 -9.912 1.00 1.00 C ATOM 979 CE1 HIS A 72 8.983 -17.033 -8.985 1.00 1.00 C ATOM 980 NE2 HIS A 72 7.810 -16.882 -9.573 1.00 1.00 N ATOM 0 H HIS A 72 6.571 -13.814 -8.562 1.00 1.00 H new ATOM 0 HA HIS A 72 8.382 -11.529 -9.044 1.00 1.00 H new ATOM 0 HB2 HIS A 72 9.550 -13.276 -10.617 1.00 1.00 H new ATOM 0 HB3 HIS A 72 9.939 -13.248 -8.908 1.00 1.00 H new ATOM 0 HD2 HIS A 72 6.788 -15.129 -10.405 1.00 1.00 H new ATOM 0 HE1 HIS A 72 9.387 -17.962 -8.610 1.00 1.00 H new ATOM 0 HE2 HIS A 72 7.135 -17.626 -9.747 1.00 1.00 H new ATOM 989 N CYS A 73 6.835 -11.013 -10.916 1.00 1.00 N ATOM 990 CA CYS A 73 6.103 -10.651 -12.124 1.00 1.00 C ATOM 991 C CYS A 73 6.760 -9.456 -12.804 1.00 1.00 C ATOM 992 O CYS A 73 6.616 -8.320 -12.353 1.00 1.00 O ATOM 993 CB CYS A 73 4.645 -10.328 -11.792 1.00 1.00 C ATOM 994 SG CYS A 73 3.466 -10.895 -13.040 1.00 1.00 S ATOM 0 H CYS A 73 7.029 -10.230 -10.292 1.00 1.00 H new ATOM 0 HA CYS A 73 6.126 -11.501 -12.806 1.00 1.00 H new ATOM 0 HB2 CYS A 73 4.392 -10.782 -10.834 1.00 1.00 H new ATOM 0 HB3 CYS A 73 4.541 -9.250 -11.671 1.00 1.00 H new ATOM 0 HG CYS A 73 2.721 -9.899 -13.418 1.00 1.00 H new ATOM 1000 N SER A 74 7.494 -9.714 -13.881 1.00 1.00 N ATOM 1001 CA SER A 74 8.179 -8.646 -14.599 1.00 1.00 C ATOM 1002 C SER A 74 7.197 -7.685 -15.230 1.00 1.00 C ATOM 1003 O SER A 74 7.329 -6.471 -15.066 1.00 1.00 O ATOM 1004 CB SER A 74 9.118 -9.222 -15.661 1.00 1.00 C ATOM 1005 OG SER A 74 9.422 -10.580 -15.392 1.00 1.00 O ATOM 0 H SER A 74 7.629 -10.646 -14.273 1.00 1.00 H new ATOM 0 HA SER A 74 8.772 -8.090 -13.873 1.00 1.00 H new ATOM 0 HB2 SER A 74 8.655 -9.138 -16.644 1.00 1.00 H new ATOM 0 HB3 SER A 74 10.039 -8.639 -15.691 1.00 1.00 H new ATOM 0 HG SER A 74 10.022 -10.925 -16.086 1.00 1.00 H new ATOM 1011 N ASN A 75 6.195 -8.202 -15.924 1.00 1.00 N ATOM 1012 CA ASN A 75 5.214 -7.318 -16.516 1.00 1.00 C ATOM 1013 C ASN A 75 3.950 -7.327 -15.677 1.00 1.00 C ATOM 1014 O ASN A 75 3.053 -8.145 -15.879 1.00 1.00 O ATOM 1015 CB ASN A 75 4.898 -7.750 -17.950 1.00 1.00 C ATOM 1016 CG ASN A 75 4.154 -6.680 -18.725 1.00 1.00 C ATOM 1017 OD1 ASN A 75 2.924 -6.679 -18.780 1.00 1.00 O ATOM 1018 ND2 ASN A 75 4.899 -5.761 -19.329 1.00 1.00 N ATOM 0 H ASN A 75 6.044 -9.198 -16.086 1.00 1.00 H new ATOM 0 HA ASN A 75 5.621 -6.307 -16.544 1.00 1.00 H new ATOM 0 HB2 ASN A 75 5.827 -7.990 -18.467 1.00 1.00 H new ATOM 0 HB3 ASN A 75 4.300 -8.661 -17.929 1.00 1.00 H new ATOM 0 HD21 ASN A 75 4.454 -5.016 -19.865 1.00 1.00 H new ATOM 0 HD22 ASN A 75 5.916 -5.801 -19.257 1.00 1.00 H new ATOM 1025 N ASP A 76 3.890 -6.392 -14.742 1.00 1.00 N ATOM 1026 CA ASP A 76 2.733 -6.259 -13.865 1.00 1.00 C ATOM 1027 C ASP A 76 2.707 -4.886 -13.197 1.00 1.00 C ATOM 1028 O ASP A 76 3.753 -4.353 -12.826 1.00 1.00 O ATOM 1029 CB ASP A 76 2.732 -7.366 -12.807 1.00 1.00 C ATOM 1030 CG ASP A 76 1.408 -8.101 -12.749 1.00 1.00 C ATOM 1031 OD1 ASP A 76 1.234 -9.073 -13.514 1.00 1.00 O ATOM 1032 OD2 ASP A 76 0.543 -7.703 -11.940 1.00 1.00 O ATOM 0 H ASP A 76 4.630 -5.712 -14.569 1.00 1.00 H new ATOM 0 HA ASP A 76 1.835 -6.357 -14.475 1.00 1.00 H new ATOM 0 HB2 ASP A 76 3.530 -8.075 -13.025 1.00 1.00 H new ATOM 0 HB3 ASP A 76 2.948 -6.933 -11.830 1.00 1.00 H new ATOM 1037 N PRO A 77 1.512 -4.295 -13.020 1.00 1.00 N ATOM 1038 CA PRO A 77 1.382 -2.989 -12.380 1.00 1.00 C ATOM 1039 C PRO A 77 2.088 -2.957 -11.028 1.00 1.00 C ATOM 1040 O PRO A 77 2.578 -1.916 -10.593 1.00 1.00 O ATOM 1041 CB PRO A 77 -0.126 -2.810 -12.195 1.00 1.00 C ATOM 1042 CG PRO A 77 -0.774 -3.759 -13.142 1.00 1.00 C ATOM 1043 CD PRO A 77 0.212 -4.858 -13.420 1.00 1.00 C ATOM 0 HA PRO A 77 1.836 -2.197 -12.976 1.00 1.00 H new ATOM 0 HB2 PRO A 77 -0.421 -3.023 -11.167 1.00 1.00 H new ATOM 0 HB3 PRO A 77 -0.425 -1.783 -12.406 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -1.690 -4.165 -12.713 1.00 1.00 H new ATOM 0 HG3 PRO A 77 -1.053 -3.250 -14.065 1.00 1.00 H new ATOM 0 HD2 PRO A 77 -0.024 -5.757 -12.850 1.00 1.00 H new ATOM 0 HD3 PRO A 77 0.208 -5.138 -14.473 1.00 1.00 H new ATOM 1051 N LEU A 78 2.140 -4.115 -10.375 1.00 1.00 N ATOM 1052 CA LEU A 78 2.791 -4.236 -9.076 1.00 1.00 C ATOM 1053 C LEU A 78 4.298 -4.067 -9.218 1.00 1.00 C ATOM 1054 O LEU A 78 4.873 -3.093 -8.731 1.00 1.00 O ATOM 1055 CB LEU A 78 2.472 -5.594 -8.449 1.00 1.00 C ATOM 1056 CG LEU A 78 2.409 -5.606 -6.921 1.00 1.00 C ATOM 1057 CD1 LEU A 78 1.443 -4.545 -6.417 1.00 1.00 C ATOM 1058 CD2 LEU A 78 2.002 -6.983 -6.416 1.00 1.00 C ATOM 0 H LEU A 78 1.738 -4.984 -10.726 1.00 1.00 H new ATOM 0 HA LEU A 78 2.412 -3.449 -8.425 1.00 1.00 H new ATOM 0 HB2 LEU A 78 1.515 -5.941 -8.839 1.00 1.00 H new ATOM 0 HB3 LEU A 78 3.226 -6.312 -8.771 1.00 1.00 H new ATOM 0 HG LEU A 78 3.402 -5.376 -6.534 1.00 1.00 H new ATOM 0 HD11 LEU A 78 1.412 -4.569 -5.328 1.00 1.00 H new ATOM 0 HD12 LEU A 78 1.777 -3.562 -6.749 1.00 1.00 H new ATOM 0 HD13 LEU A 78 0.447 -4.742 -6.813 1.00 1.00 H new ATOM 0 HD21 LEU A 78 1.962 -6.974 -5.327 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.020 -7.241 -6.813 1.00 1.00 H new ATOM 0 HD23 LEU A 78 2.732 -7.722 -6.746 1.00 1.00 H new ATOM 1070 N GLY A 79 4.935 -5.017 -9.900 1.00 1.00 N ATOM 1071 CA GLY A 79 6.370 -4.945 -10.105 1.00 1.00 C ATOM 1072 C GLY A 79 6.782 -3.635 -10.745 1.00 1.00 C ATOM 1073 O GLY A 79 7.883 -3.137 -10.512 1.00 1.00 O ATOM 0 H GLY A 79 4.483 -5.833 -10.313 1.00 1.00 H new ATOM 0 HA2 GLY A 79 6.880 -5.058 -9.148 1.00 1.00 H new ATOM 0 HA3 GLY A 79 6.689 -5.774 -10.736 1.00 1.00 H new ATOM 1077 N GLU A 80 5.882 -3.073 -11.546 1.00 1.00 N ATOM 1078 CA GLU A 80 6.136 -1.807 -12.219 1.00 1.00 C ATOM 1079 C GLU A 80 6.070 -0.657 -11.216 1.00 1.00 C ATOM 1080 O GLU A 80 6.746 0.360 -11.376 1.00 1.00 O ATOM 1081 CB GLU A 80 5.117 -1.603 -13.348 1.00 1.00 C ATOM 1082 CG GLU A 80 4.980 -0.161 -13.818 1.00 1.00 C ATOM 1083 CD GLU A 80 6.319 0.503 -14.074 1.00 1.00 C ATOM 1084 OE1 GLU A 80 7.218 -0.166 -14.627 1.00 1.00 O ATOM 1085 OE2 GLU A 80 6.470 1.692 -13.721 1.00 1.00 O ATOM 0 H GLU A 80 4.967 -3.478 -11.744 1.00 1.00 H new ATOM 0 HA GLU A 80 7.136 -1.826 -12.653 1.00 1.00 H new ATOM 0 HB2 GLU A 80 5.404 -2.223 -14.197 1.00 1.00 H new ATOM 0 HB3 GLU A 80 4.143 -1.956 -13.010 1.00 1.00 H new ATOM 0 HG2 GLU A 80 4.387 -0.136 -14.732 1.00 1.00 H new ATOM 0 HG3 GLU A 80 4.434 0.411 -13.068 1.00 1.00 H new ATOM 1092 N LEU A 81 5.256 -0.831 -10.179 1.00 1.00 N ATOM 1093 CA LEU A 81 5.104 0.185 -9.145 1.00 1.00 C ATOM 1094 C LEU A 81 6.315 0.195 -8.220 1.00 1.00 C ATOM 1095 O LEU A 81 7.026 1.195 -8.120 1.00 1.00 O ATOM 1096 CB LEU A 81 3.834 -0.073 -8.330 1.00 1.00 C ATOM 1097 CG LEU A 81 3.567 0.932 -7.207 1.00 1.00 C ATOM 1098 CD1 LEU A 81 3.665 2.359 -7.727 1.00 1.00 C ATOM 1099 CD2 LEU A 81 2.201 0.684 -6.586 1.00 1.00 C ATOM 0 H LEU A 81 4.691 -1.668 -10.033 1.00 1.00 H new ATOM 0 HA LEU A 81 5.025 1.157 -9.632 1.00 1.00 H new ATOM 0 HB2 LEU A 81 2.980 -0.072 -9.007 1.00 1.00 H new ATOM 0 HB3 LEU A 81 3.896 -1.071 -7.896 1.00 1.00 H new ATOM 0 HG LEU A 81 4.327 0.796 -6.438 1.00 1.00 H new ATOM 0 HD11 LEU A 81 3.472 3.057 -6.913 1.00 1.00 H new ATOM 0 HD12 LEU A 81 4.665 2.533 -8.125 1.00 1.00 H new ATOM 0 HD13 LEU A 81 2.929 2.510 -8.517 1.00 1.00 H new ATOM 0 HD21 LEU A 81 2.027 1.407 -5.789 1.00 1.00 H new ATOM 0 HD22 LEU A 81 1.430 0.792 -7.349 1.00 1.00 H new ATOM 0 HD23 LEU A 81 2.166 -0.325 -6.174 1.00 1.00 H new ATOM 1111 N PHE A 82 6.544 -0.928 -7.548 1.00 1.00 N ATOM 1112 CA PHE A 82 7.670 -1.055 -6.630 1.00 1.00 C ATOM 1113 C PHE A 82 8.996 -0.927 -7.373 1.00 1.00 C ATOM 1114 O PHE A 82 10.004 -0.518 -6.797 1.00 1.00 O ATOM 1115 CB PHE A 82 7.609 -2.398 -5.898 1.00 1.00 C ATOM 1116 CG PHE A 82 6.260 -2.707 -5.305 1.00 1.00 C ATOM 1117 CD1 PHE A 82 5.431 -1.690 -4.855 1.00 1.00 C ATOM 1118 CD2 PHE A 82 5.823 -4.018 -5.198 1.00 1.00 C ATOM 1119 CE1 PHE A 82 4.193 -1.976 -4.311 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.587 -4.309 -4.654 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.771 -3.287 -4.210 1.00 1.00 C ATOM 0 H PHE A 82 5.964 -1.764 -7.622 1.00 1.00 H new ATOM 0 HA PHE A 82 7.604 -0.248 -5.900 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.880 -3.193 -6.593 1.00 1.00 H new ATOM 0 HB3 PHE A 82 8.354 -2.402 -5.103 1.00 1.00 H new ATOM 0 HD1 PHE A 82 5.757 -0.663 -4.931 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.456 -4.822 -5.544 1.00 1.00 H new ATOM 0 HE1 PHE A 82 3.556 -1.175 -3.965 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.259 -5.335 -4.576 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.804 -3.513 -3.784 1.00 1.00 H new ATOM 1131 N GLY A 83 8.989 -1.278 -8.655 1.00 1.00 N ATOM 1132 CA GLY A 83 10.198 -1.194 -9.454 1.00 1.00 C ATOM 1133 C GLY A 83 11.090 -2.409 -9.290 1.00 1.00 C ATOM 1134 O GLY A 83 12.315 -2.293 -9.299 1.00 1.00 O ATOM 0 H GLY A 83 8.168 -1.619 -9.155 1.00 1.00 H new ATOM 0 HA2 GLY A 83 9.928 -1.085 -10.504 1.00 1.00 H new ATOM 0 HA3 GLY A 83 10.754 -0.299 -9.173 1.00 1.00 H new ATOM 1138 N VAL A 84 10.474 -3.578 -9.142 1.00 1.00 N ATOM 1139 CA VAL A 84 11.222 -4.818 -8.976 1.00 1.00 C ATOM 1140 C VAL A 84 10.580 -5.957 -9.760 1.00 1.00 C ATOM 1141 O VAL A 84 9.377 -5.942 -10.024 1.00 1.00 O ATOM 1142 CB VAL A 84 11.321 -5.222 -7.493 1.00 1.00 C ATOM 1143 CG1 VAL A 84 12.111 -4.186 -6.708 1.00 1.00 C ATOM 1144 CG2 VAL A 84 9.935 -5.411 -6.896 1.00 1.00 C ATOM 0 H VAL A 84 9.460 -3.692 -9.134 1.00 1.00 H new ATOM 0 HA VAL A 84 12.225 -4.635 -9.362 1.00 1.00 H new ATOM 0 HB VAL A 84 11.850 -6.173 -7.430 1.00 1.00 H new ATOM 0 HG11 VAL A 84 12.170 -4.489 -5.663 1.00 1.00 H new ATOM 0 HG12 VAL A 84 13.117 -4.107 -7.120 1.00 1.00 H new ATOM 0 HG13 VAL A 84 11.613 -3.219 -6.778 1.00 1.00 H new ATOM 0 HG21 VAL A 84 10.026 -5.696 -5.848 1.00 1.00 H new ATOM 0 HG22 VAL A 84 9.376 -4.478 -6.971 1.00 1.00 H new ATOM 0 HG23 VAL A 84 9.408 -6.194 -7.441 1.00 1.00 H new ATOM 1154 N GLN A 85 11.389 -6.944 -10.130 1.00 1.00 N ATOM 1155 CA GLN A 85 10.903 -8.092 -10.883 1.00 1.00 C ATOM 1156 C GLN A 85 10.434 -9.199 -9.943 1.00 1.00 C ATOM 1157 O GLN A 85 9.547 -9.982 -10.284 1.00 1.00 O ATOM 1158 CB GLN A 85 12.003 -8.618 -11.808 1.00 1.00 C ATOM 1159 CG GLN A 85 11.615 -9.879 -12.562 1.00 1.00 C ATOM 1160 CD GLN A 85 12.739 -10.409 -13.430 1.00 1.00 C ATOM 1161 OE1 GLN A 85 13.848 -9.874 -13.426 1.00 1.00 O ATOM 1162 NE2 GLN A 85 12.458 -11.468 -14.181 1.00 1.00 N ATOM 0 H GLN A 85 12.387 -6.971 -9.919 1.00 1.00 H new ATOM 0 HA GLN A 85 10.053 -7.772 -11.486 1.00 1.00 H new ATOM 0 HB2 GLN A 85 12.264 -7.841 -12.527 1.00 1.00 H new ATOM 0 HB3 GLN A 85 12.897 -8.819 -11.218 1.00 1.00 H new ATOM 0 HG2 GLN A 85 11.319 -10.648 -11.848 1.00 1.00 H new ATOM 0 HG3 GLN A 85 10.746 -9.672 -13.186 1.00 1.00 H new ATOM 0 HE21 GLN A 85 11.525 -11.880 -14.153 1.00 1.00 H new ATOM 0 HE22 GLN A 85 13.175 -11.869 -14.785 1.00 1.00 H new ATOM 1171 N GLU A 86 11.035 -9.258 -8.759 1.00 1.00 N ATOM 1172 CA GLU A 86 10.679 -10.268 -7.770 1.00 1.00 C ATOM 1173 C GLU A 86 10.836 -9.720 -6.356 1.00 1.00 C ATOM 1174 O GLU A 86 11.651 -8.831 -6.112 1.00 1.00 O ATOM 1175 CB GLU A 86 11.548 -11.515 -7.946 1.00 1.00 C ATOM 1176 CG GLU A 86 13.029 -11.262 -7.709 1.00 1.00 C ATOM 1177 CD GLU A 86 13.897 -11.764 -8.847 1.00 1.00 C ATOM 1178 OE1 GLU A 86 13.435 -12.646 -9.601 1.00 1.00 O ATOM 1179 OE2 GLU A 86 15.038 -11.274 -8.984 1.00 1.00 O ATOM 0 H GLU A 86 11.771 -8.618 -8.461 1.00 1.00 H new ATOM 0 HA GLU A 86 9.634 -10.539 -7.923 1.00 1.00 H new ATOM 0 HB2 GLU A 86 11.205 -12.287 -7.257 1.00 1.00 H new ATOM 0 HB3 GLU A 86 11.411 -11.904 -8.955 1.00 1.00 H new ATOM 0 HG2 GLU A 86 13.194 -10.193 -7.576 1.00 1.00 H new ATOM 0 HG3 GLU A 86 13.333 -11.750 -6.783 1.00 1.00 H new ATOM 1186 N PHE A 87 10.050 -10.255 -5.427 1.00 1.00 N ATOM 1187 CA PHE A 87 10.106 -9.815 -4.039 1.00 1.00 C ATOM 1188 C PHE A 87 9.470 -10.844 -3.112 1.00 1.00 C ATOM 1189 O PHE A 87 8.300 -11.197 -3.269 1.00 1.00 O ATOM 1190 CB PHE A 87 9.400 -8.466 -3.881 1.00 1.00 C ATOM 1191 CG PHE A 87 7.931 -8.516 -4.190 1.00 1.00 C ATOM 1192 CD1 PHE A 87 7.473 -8.299 -5.480 1.00 1.00 C ATOM 1193 CD2 PHE A 87 7.008 -8.781 -3.191 1.00 1.00 C ATOM 1194 CE1 PHE A 87 6.122 -8.345 -5.768 1.00 1.00 C ATOM 1195 CE2 PHE A 87 5.655 -8.827 -3.473 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.212 -8.609 -4.763 1.00 1.00 C ATOM 0 H PHE A 87 9.369 -10.992 -5.610 1.00 1.00 H new ATOM 0 HA PHE A 87 11.155 -9.705 -3.763 1.00 1.00 H new ATOM 0 HB2 PHE A 87 9.536 -8.112 -2.859 1.00 1.00 H new ATOM 0 HB3 PHE A 87 9.876 -7.737 -4.537 1.00 1.00 H new ATOM 0 HD1 PHE A 87 8.180 -8.092 -6.269 1.00 1.00 H new ATOM 0 HD2 PHE A 87 7.349 -8.954 -2.181 1.00 1.00 H new ATOM 0 HE1 PHE A 87 5.778 -8.175 -6.778 1.00 1.00 H new ATOM 0 HE2 PHE A 87 4.945 -9.033 -2.685 1.00 1.00 H new ATOM 0 HZ PHE A 87 4.156 -8.645 -4.985 1.00 1.00 H new ATOM 1206 N SER A 88 10.244 -11.318 -2.143 1.00 1.00 N ATOM 1207 CA SER A 88 9.751 -12.300 -1.186 1.00 1.00 C ATOM 1208 C SER A 88 8.963 -11.612 -0.077 1.00 1.00 C ATOM 1209 O SER A 88 9.503 -10.789 0.661 1.00 1.00 O ATOM 1210 CB SER A 88 10.914 -13.093 -0.587 1.00 1.00 C ATOM 1211 OG SER A 88 10.466 -13.957 0.443 1.00 1.00 O ATOM 0 H SER A 88 11.214 -11.038 -2.000 1.00 1.00 H new ATOM 0 HA SER A 88 9.090 -12.990 -1.711 1.00 1.00 H new ATOM 0 HB2 SER A 88 11.401 -13.676 -1.369 1.00 1.00 H new ATOM 0 HB3 SER A 88 11.661 -12.405 -0.190 1.00 1.00 H new ATOM 0 HG SER A 88 11.228 -14.453 0.808 1.00 1.00 H new ATOM 1217 N VAL A 89 7.682 -11.947 0.029 1.00 1.00 N ATOM 1218 CA VAL A 89 6.821 -11.351 1.044 1.00 1.00 C ATOM 1219 C VAL A 89 7.329 -11.638 2.455 1.00 1.00 C ATOM 1220 O VAL A 89 6.939 -10.965 3.409 1.00 1.00 O ATOM 1221 CB VAL A 89 5.366 -11.840 0.920 1.00 1.00 C ATOM 1222 CG1 VAL A 89 4.652 -11.092 -0.191 1.00 1.00 C ATOM 1223 CG2 VAL A 89 5.311 -13.341 0.680 1.00 1.00 C ATOM 0 H VAL A 89 7.218 -12.626 -0.574 1.00 1.00 H new ATOM 0 HA VAL A 89 6.847 -10.275 0.870 1.00 1.00 H new ATOM 0 HB VAL A 89 4.856 -11.635 1.861 1.00 1.00 H new ATOM 0 HG11 VAL A 89 3.625 -11.448 -0.267 1.00 1.00 H new ATOM 0 HG12 VAL A 89 4.651 -10.025 0.031 1.00 1.00 H new ATOM 0 HG13 VAL A 89 5.167 -11.265 -1.136 1.00 1.00 H new ATOM 0 HG21 VAL A 89 4.272 -13.658 0.597 1.00 1.00 H new ATOM 0 HG22 VAL A 89 5.839 -13.582 -0.243 1.00 1.00 H new ATOM 0 HG23 VAL A 89 5.783 -13.860 1.514 1.00 1.00 H new ATOM 1233 N LYS A 90 8.201 -12.634 2.585 1.00 1.00 N ATOM 1234 CA LYS A 90 8.758 -12.995 3.886 1.00 1.00 C ATOM 1235 C LYS A 90 9.321 -11.768 4.599 1.00 1.00 C ATOM 1236 O LYS A 90 9.356 -11.714 5.829 1.00 1.00 O ATOM 1237 CB LYS A 90 9.852 -14.051 3.722 1.00 1.00 C ATOM 1238 CG LYS A 90 10.007 -14.960 4.930 1.00 1.00 C ATOM 1239 CD LYS A 90 8.700 -15.656 5.274 1.00 1.00 C ATOM 1240 CE LYS A 90 8.923 -16.832 6.211 1.00 1.00 C ATOM 1241 NZ LYS A 90 8.907 -18.132 5.484 1.00 1.00 N ATOM 0 H LYS A 90 8.537 -13.204 1.809 1.00 1.00 H new ATOM 0 HA LYS A 90 7.953 -13.408 4.494 1.00 1.00 H new ATOM 0 HB2 LYS A 90 9.629 -14.660 2.846 1.00 1.00 H new ATOM 0 HB3 LYS A 90 10.801 -13.551 3.530 1.00 1.00 H new ATOM 0 HG2 LYS A 90 10.776 -15.706 4.729 1.00 1.00 H new ATOM 0 HG3 LYS A 90 10.346 -14.376 5.786 1.00 1.00 H new ATOM 0 HD2 LYS A 90 8.019 -14.943 5.739 1.00 1.00 H new ATOM 0 HD3 LYS A 90 8.221 -16.005 4.359 1.00 1.00 H new ATOM 0 HE2 LYS A 90 9.879 -16.713 6.722 1.00 1.00 H new ATOM 0 HE3 LYS A 90 8.150 -16.836 6.979 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 9.062 -18.909 6.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 7.986 -18.258 5.018 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 9.661 -18.139 4.768 1.00 1.00 H new ATOM 1255 N GLU A 91 9.755 -10.783 3.818 1.00 1.00 N ATOM 1256 CA GLU A 91 10.311 -9.554 4.373 1.00 1.00 C ATOM 1257 C GLU A 91 9.263 -8.445 4.386 1.00 1.00 C ATOM 1258 O GLU A 91 9.217 -7.610 3.482 1.00 1.00 O ATOM 1259 CB GLU A 91 11.532 -9.110 3.565 1.00 1.00 C ATOM 1260 CG GLU A 91 12.615 -10.172 3.466 1.00 1.00 C ATOM 1261 CD GLU A 91 14.008 -9.603 3.644 1.00 1.00 C ATOM 1262 OE1 GLU A 91 14.614 -9.188 2.634 1.00 1.00 O ATOM 1263 OE2 GLU A 91 14.494 -9.573 4.795 1.00 1.00 O ATOM 0 H GLU A 91 9.732 -10.812 2.799 1.00 1.00 H new ATOM 0 HA GLU A 91 10.619 -9.753 5.400 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.212 -8.835 2.560 1.00 1.00 H new ATOM 0 HB3 GLU A 91 11.954 -8.215 4.022 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.439 -10.936 4.223 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.549 -10.664 2.495 1.00 1.00 H new ATOM 1270 N HIS A 92 8.421 -8.448 5.414 1.00 1.00 N ATOM 1271 CA HIS A 92 7.368 -7.447 5.547 1.00 1.00 C ATOM 1272 C HIS A 92 7.947 -6.034 5.565 1.00 1.00 C ATOM 1273 O HIS A 92 7.290 -5.079 5.150 1.00 1.00 O ATOM 1274 CB HIS A 92 6.564 -7.696 6.823 1.00 1.00 C ATOM 1275 CG HIS A 92 5.607 -8.842 6.713 1.00 1.00 C ATOM 1276 ND1 HIS A 92 4.874 -9.316 7.781 1.00 1.00 N ATOM 1277 CD2 HIS A 92 5.262 -9.611 5.652 1.00 1.00 C ATOM 1278 CE1 HIS A 92 4.122 -10.327 7.383 1.00 1.00 C ATOM 1279 NE2 HIS A 92 4.339 -10.525 6.095 1.00 1.00 N ATOM 0 H HIS A 92 8.447 -9.134 6.169 1.00 1.00 H new ATOM 0 HA HIS A 92 6.710 -7.534 4.682 1.00 1.00 H new ATOM 0 HB2 HIS A 92 7.253 -7.887 7.646 1.00 1.00 H new ATOM 0 HB3 HIS A 92 6.009 -6.792 7.075 1.00 1.00 H new ATOM 0 HD2 HIS A 92 5.642 -9.521 4.645 1.00 1.00 H new ATOM 0 HE1 HIS A 92 3.445 -10.895 8.005 1.00 1.00 H new ATOM 0 HE2 HIS A 92 3.893 -11.241 5.522 1.00 1.00 H new ATOM 1288 N ARG A 93 9.176 -5.908 6.051 1.00 1.00 N ATOM 1289 CA ARG A 93 9.839 -4.611 6.127 1.00 1.00 C ATOM 1290 C ARG A 93 10.042 -4.014 4.736 1.00 1.00 C ATOM 1291 O ARG A 93 9.854 -2.815 4.532 1.00 1.00 O ATOM 1292 CB ARG A 93 11.186 -4.747 6.842 1.00 1.00 C ATOM 1293 CG ARG A 93 11.358 -3.781 8.004 1.00 1.00 C ATOM 1294 CD ARG A 93 12.346 -2.674 7.671 1.00 1.00 C ATOM 1295 NE ARG A 93 11.909 -1.378 8.186 1.00 1.00 N ATOM 1296 CZ ARG A 93 12.598 -0.250 8.032 1.00 1.00 C ATOM 1297 NH1 ARG A 93 13.754 -0.253 7.380 1.00 1.00 N ATOM 1298 NH2 ARG A 93 12.129 0.886 8.531 1.00 1.00 N ATOM 0 H ARG A 93 9.734 -6.688 6.398 1.00 1.00 H new ATOM 0 HA ARG A 93 9.198 -3.937 6.696 1.00 1.00 H new ATOM 0 HB2 ARG A 93 11.291 -5.768 7.210 1.00 1.00 H new ATOM 0 HB3 ARG A 93 11.988 -4.583 6.122 1.00 1.00 H new ATOM 0 HG2 ARG A 93 10.393 -3.343 8.260 1.00 1.00 H new ATOM 0 HG3 ARG A 93 11.704 -4.326 8.883 1.00 1.00 H new ATOM 0 HD2 ARG A 93 13.322 -2.920 8.090 1.00 1.00 H new ATOM 0 HD3 ARG A 93 12.470 -2.612 6.590 1.00 1.00 H new ATOM 0 HE ARG A 93 11.025 -1.336 8.693 1.00 1.00 H new ATOM 0 HH11 ARG A 93 14.119 -1.123 6.993 1.00 1.00 H new ATOM 0 HH12 ARG A 93 14.277 0.615 7.265 1.00 1.00 H new ATOM 0 HH21 ARG A 93 11.241 0.895 9.032 1.00 1.00 H new ATOM 0 HH22 ARG A 93 12.657 1.751 8.413 1.00 1.00 H new ATOM 1312 N ARG A 94 10.433 -4.857 3.786 1.00 1.00 N ATOM 1313 CA ARG A 94 10.666 -4.410 2.417 1.00 1.00 C ATOM 1314 C ARG A 94 9.372 -3.936 1.762 1.00 1.00 C ATOM 1315 O ARG A 94 9.314 -2.841 1.202 1.00 1.00 O ATOM 1316 CB ARG A 94 11.285 -5.539 1.590 1.00 1.00 C ATOM 1317 CG ARG A 94 12.805 -5.547 1.613 1.00 1.00 C ATOM 1318 CD ARG A 94 13.381 -5.971 0.271 1.00 1.00 C ATOM 1319 NE ARG A 94 14.742 -6.485 0.398 1.00 1.00 N ATOM 1320 CZ ARG A 94 15.819 -5.712 0.520 1.00 1.00 C ATOM 1321 NH1 ARG A 94 15.698 -4.390 0.533 1.00 1.00 N ATOM 1322 NH2 ARG A 94 17.021 -6.262 0.629 1.00 1.00 N ATOM 0 H ARG A 94 10.595 -5.852 3.938 1.00 1.00 H new ATOM 0 HA ARG A 94 11.358 -3.569 2.453 1.00 1.00 H new ATOM 0 HB2 ARG A 94 10.919 -6.495 1.964 1.00 1.00 H new ATOM 0 HB3 ARG A 94 10.946 -5.450 0.558 1.00 1.00 H new ATOM 0 HG2 ARG A 94 13.171 -4.553 1.869 1.00 1.00 H new ATOM 0 HG3 ARG A 94 13.154 -6.226 2.391 1.00 1.00 H new ATOM 0 HD2 ARG A 94 12.744 -6.737 -0.171 1.00 1.00 H new ATOM 0 HD3 ARG A 94 13.377 -5.120 -0.410 1.00 1.00 H new ATOM 0 HE ARG A 94 14.875 -7.496 0.393 1.00 1.00 H new ATOM 0 HH11 ARG A 94 14.776 -3.961 0.449 1.00 1.00 H new ATOM 0 HH12 ARG A 94 16.527 -3.803 0.627 1.00 1.00 H new ATOM 0 HH21 ARG A 94 17.120 -7.277 0.619 1.00 1.00 H new ATOM 0 HH22 ARG A 94 17.846 -5.670 0.722 1.00 1.00 H new ATOM 1336 N ILE A 95 8.337 -4.767 1.832 1.00 1.00 N ATOM 1337 CA ILE A 95 7.045 -4.434 1.242 1.00 1.00 C ATOM 1338 C ILE A 95 6.499 -3.125 1.805 1.00 1.00 C ATOM 1339 O ILE A 95 6.282 -2.163 1.068 1.00 1.00 O ATOM 1340 CB ILE A 95 6.017 -5.556 1.478 1.00 1.00 C ATOM 1341 CG1 ILE A 95 6.557 -6.882 0.939 1.00 1.00 C ATOM 1342 CG2 ILE A 95 4.686 -5.207 0.821 1.00 1.00 C ATOM 1343 CD1 ILE A 95 5.571 -8.024 1.038 1.00 1.00 C ATOM 0 H ILE A 95 8.368 -5.677 2.292 1.00 1.00 H new ATOM 0 HA ILE A 95 7.207 -4.319 0.170 1.00 1.00 H new ATOM 0 HB ILE A 95 5.848 -5.660 2.550 1.00 1.00 H new ATOM 0 HG12 ILE A 95 6.844 -6.750 -0.104 1.00 1.00 H new ATOM 0 HG13 ILE A 95 7.461 -7.146 1.487 1.00 1.00 H new ATOM 0 HG21 ILE A 95 3.971 -6.011 0.998 1.00 1.00 H new ATOM 0 HG22 ILE A 95 4.302 -4.280 1.247 1.00 1.00 H new ATOM 0 HG23 ILE A 95 4.832 -5.081 -0.252 1.00 1.00 H new ATOM 0 HD11 ILE A 95 6.023 -8.931 0.637 1.00 1.00 H new ATOM 0 HD12 ILE A 95 5.303 -8.183 2.082 1.00 1.00 H new ATOM 0 HD13 ILE A 95 4.675 -7.782 0.466 1.00 1.00 H new ATOM 1355 N TYR A 96 6.276 -3.094 3.115 1.00 1.00 N ATOM 1356 CA TYR A 96 5.753 -1.901 3.775 1.00 1.00 C ATOM 1357 C TYR A 96 6.552 -0.657 3.391 1.00 1.00 C ATOM 1358 O TYR A 96 6.038 0.461 3.438 1.00 1.00 O ATOM 1359 CB TYR A 96 5.776 -2.085 5.294 1.00 1.00 C ATOM 1360 CG TYR A 96 4.911 -1.091 6.037 1.00 1.00 C ATOM 1361 CD1 TYR A 96 5.405 0.157 6.394 1.00 1.00 C ATOM 1362 CD2 TYR A 96 3.602 -1.402 6.382 1.00 1.00 C ATOM 1363 CE1 TYR A 96 4.618 1.068 7.074 1.00 1.00 C ATOM 1364 CE2 TYR A 96 2.809 -0.497 7.061 1.00 1.00 C ATOM 1365 CZ TYR A 96 3.321 0.736 7.405 1.00 1.00 C ATOM 1366 OH TYR A 96 2.535 1.640 8.081 1.00 1.00 O ATOM 0 H TYR A 96 6.449 -3.881 3.741 1.00 1.00 H new ATOM 0 HA TYR A 96 4.724 -1.760 3.443 1.00 1.00 H new ATOM 0 HB2 TYR A 96 5.443 -3.095 5.534 1.00 1.00 H new ATOM 0 HB3 TYR A 96 6.803 -1.995 5.647 1.00 1.00 H new ATOM 0 HD1 TYR A 96 6.420 0.420 6.136 1.00 1.00 H new ATOM 0 HD2 TYR A 96 3.197 -2.367 6.115 1.00 1.00 H new ATOM 0 HE1 TYR A 96 5.017 2.035 7.345 1.00 1.00 H new ATOM 0 HE2 TYR A 96 1.793 -0.754 7.321 1.00 1.00 H new ATOM 0 HH TYR A 96 2.807 2.551 7.844 1.00 1.00 H new ATOM 1376 N ALA A 97 7.813 -0.856 3.017 1.00 1.00 N ATOM 1377 CA ALA A 97 8.680 0.252 2.632 1.00 1.00 C ATOM 1378 C ALA A 97 8.426 0.689 1.192 1.00 1.00 C ATOM 1379 O ALA A 97 8.130 1.856 0.933 1.00 1.00 O ATOM 1380 CB ALA A 97 10.139 -0.134 2.817 1.00 1.00 C ATOM 0 H ALA A 97 8.256 -1.774 2.973 1.00 1.00 H new ATOM 0 HA ALA A 97 8.449 1.097 3.280 1.00 1.00 H new ATOM 0 HB1 ALA A 97 10.776 0.701 2.526 1.00 1.00 H new ATOM 0 HB2 ALA A 97 10.320 -0.382 3.863 1.00 1.00 H new ATOM 0 HB3 ALA A 97 10.368 -0.999 2.195 1.00 1.00 H new ATOM 1386 N MET A 98 8.553 -0.247 0.256 1.00 1.00 N ATOM 1387 CA MET A 98 8.345 0.055 -1.157 1.00 1.00 C ATOM 1388 C MET A 98 6.952 0.635 -1.399 1.00 1.00 C ATOM 1389 O MET A 98 6.786 1.567 -2.188 1.00 1.00 O ATOM 1390 CB MET A 98 8.566 -1.199 -2.013 1.00 1.00 C ATOM 1391 CG MET A 98 7.416 -2.193 -1.980 1.00 1.00 C ATOM 1392 SD MET A 98 7.954 -3.875 -2.347 1.00 1.00 S ATOM 1393 CE MET A 98 6.393 -4.752 -2.315 1.00 1.00 C ATOM 0 H MET A 98 8.798 -1.218 0.449 1.00 1.00 H new ATOM 0 HA MET A 98 9.076 0.809 -1.451 1.00 1.00 H new ATOM 0 HB2 MET A 98 8.737 -0.894 -3.045 1.00 1.00 H new ATOM 0 HB3 MET A 98 9.473 -1.700 -1.674 1.00 1.00 H new ATOM 0 HG2 MET A 98 6.947 -2.170 -0.996 1.00 1.00 H new ATOM 0 HG3 MET A 98 6.657 -1.891 -2.702 1.00 1.00 H new ATOM 0 HE1 MET A 98 6.357 -5.400 -1.439 1.00 1.00 H new ATOM 0 HE2 MET A 98 5.574 -4.035 -2.270 1.00 1.00 H new ATOM 0 HE3 MET A 98 6.297 -5.356 -3.217 1.00 1.00 H new ATOM 1403 N ILE A 99 5.956 0.090 -0.709 1.00 1.00 N ATOM 1404 CA ILE A 99 4.585 0.567 -0.849 1.00 1.00 C ATOM 1405 C ILE A 99 4.432 1.951 -0.232 1.00 1.00 C ATOM 1406 O ILE A 99 3.664 2.779 -0.722 1.00 1.00 O ATOM 1407 CB ILE A 99 3.581 -0.396 -0.187 1.00 1.00 C ATOM 1408 CG1 ILE A 99 3.915 -0.579 1.295 1.00 1.00 C ATOM 1409 CG2 ILE A 99 3.579 -1.736 -0.907 1.00 1.00 C ATOM 1410 CD1 ILE A 99 3.041 0.241 2.218 1.00 1.00 C ATOM 0 H ILE A 99 6.071 -0.680 -0.050 1.00 1.00 H new ATOM 0 HA ILE A 99 4.369 0.617 -1.916 1.00 1.00 H new ATOM 0 HB ILE A 99 2.583 0.035 -0.262 1.00 1.00 H new ATOM 0 HG12 ILE A 99 3.814 -1.633 1.554 1.00 1.00 H new ATOM 0 HG13 ILE A 99 4.958 -0.308 1.460 1.00 1.00 H new ATOM 0 HG21 ILE A 99 2.865 -2.406 -0.428 1.00 1.00 H new ATOM 0 HG22 ILE A 99 3.295 -1.589 -1.949 1.00 1.00 H new ATOM 0 HG23 ILE A 99 4.575 -2.175 -0.861 1.00 1.00 H new ATOM 0 HD11 ILE A 99 3.335 0.061 3.252 1.00 1.00 H new ATOM 0 HD12 ILE A 99 3.159 1.299 1.986 1.00 1.00 H new ATOM 0 HD13 ILE A 99 1.998 -0.046 2.082 1.00 1.00 H new ATOM 1422 N SER A 100 5.177 2.200 0.841 1.00 1.00 N ATOM 1423 CA SER A 100 5.131 3.490 1.517 1.00 1.00 C ATOM 1424 C SER A 100 5.556 4.601 0.564 1.00 1.00 C ATOM 1425 O SER A 100 5.054 5.723 0.633 1.00 1.00 O ATOM 1426 CB SER A 100 6.037 3.478 2.751 1.00 1.00 C ATOM 1427 OG SER A 100 5.274 3.506 3.945 1.00 1.00 O ATOM 0 H SER A 100 5.818 1.526 1.259 1.00 1.00 H new ATOM 0 HA SER A 100 4.106 3.677 1.839 1.00 1.00 H new ATOM 0 HB2 SER A 100 6.664 2.586 2.737 1.00 1.00 H new ATOM 0 HB3 SER A 100 6.706 4.338 2.723 1.00 1.00 H new ATOM 0 HG SER A 100 5.876 3.496 4.718 1.00 1.00 H new ATOM 1433 N ARG A 101 6.482 4.274 -0.333 1.00 1.00 N ATOM 1434 CA ARG A 101 6.975 5.235 -1.312 1.00 1.00 C ATOM 1435 C ARG A 101 5.952 5.446 -2.426 1.00 1.00 C ATOM 1436 O ARG A 101 5.973 6.467 -3.113 1.00 1.00 O ATOM 1437 CB ARG A 101 8.301 4.757 -1.906 1.00 1.00 C ATOM 1438 CG ARG A 101 9.330 4.361 -0.859 1.00 1.00 C ATOM 1439 CD ARG A 101 10.569 3.755 -1.499 1.00 1.00 C ATOM 1440 NE ARG A 101 11.312 2.914 -0.564 1.00 1.00 N ATOM 1441 CZ ARG A 101 12.138 3.388 0.366 1.00 1.00 C ATOM 1442 NH1 ARG A 101 12.327 4.696 0.491 1.00 1.00 N ATOM 1443 NH2 ARG A 101 12.776 2.553 1.175 1.00 1.00 N ATOM 0 H ARG A 101 6.906 3.349 -0.401 1.00 1.00 H new ATOM 0 HA ARG A 101 7.136 6.185 -0.803 1.00 1.00 H new ATOM 0 HB2 ARG A 101 8.111 3.904 -2.557 1.00 1.00 H new ATOM 0 HB3 ARG A 101 8.716 5.548 -2.530 1.00 1.00 H new ATOM 0 HG2 ARG A 101 9.612 5.237 -0.275 1.00 1.00 H new ATOM 0 HG3 ARG A 101 8.889 3.644 -0.166 1.00 1.00 H new ATOM 0 HD2 ARG A 101 10.276 3.162 -2.366 1.00 1.00 H new ATOM 0 HD3 ARG A 101 11.217 4.553 -1.862 1.00 1.00 H new ATOM 0 HE ARG A 101 11.191 1.903 -0.628 1.00 1.00 H new ATOM 0 HH11 ARG A 101 11.838 5.343 -0.127 1.00 1.00 H new ATOM 0 HH12 ARG A 101 12.961 5.054 1.205 1.00 1.00 H new ATOM 0 HH21 ARG A 101 12.634 1.547 1.085 1.00 1.00 H new ATOM 0 HH22 ARG A 101 13.409 2.917 1.887 1.00 1.00 H new ATOM 1457 N ASN A 102 5.057 4.475 -2.599 1.00 1.00 N ATOM 1458 CA ASN A 102 4.028 4.560 -3.631 1.00 1.00 C ATOM 1459 C ASN A 102 2.881 5.478 -3.205 1.00 1.00 C ATOM 1460 O ASN A 102 1.928 5.679 -3.958 1.00 1.00 O ATOM 1461 CB ASN A 102 3.478 3.166 -3.953 1.00 1.00 C ATOM 1462 CG ASN A 102 4.564 2.121 -4.173 1.00 1.00 C ATOM 1463 OD1 ASN A 102 4.305 0.922 -4.081 1.00 1.00 O ATOM 1464 ND2 ASN A 102 5.782 2.563 -4.471 1.00 1.00 N ATOM 0 H ASN A 102 5.024 3.623 -2.039 1.00 1.00 H new ATOM 0 HA ASN A 102 4.492 4.982 -4.522 1.00 1.00 H new ATOM 0 HB2 ASN A 102 2.832 2.841 -3.137 1.00 1.00 H new ATOM 0 HB3 ASN A 102 2.857 3.227 -4.846 1.00 1.00 H new ATOM 0 HD21 ASN A 102 6.540 1.900 -4.632 1.00 1.00 H new ATOM 0 HD22 ASN A 102 5.958 3.565 -4.539 1.00 1.00 H new ATOM 1471 N LEU A 103 2.970 6.031 -1.997 1.00 1.00 N ATOM 1472 CA LEU A 103 1.932 6.920 -1.486 1.00 1.00 C ATOM 1473 C LEU A 103 2.323 8.383 -1.673 1.00 1.00 C ATOM 1474 O LEU A 103 3.471 8.763 -1.443 1.00 1.00 O ATOM 1475 CB LEU A 103 1.671 6.639 -0.004 1.00 1.00 C ATOM 1476 CG LEU A 103 1.928 5.197 0.441 1.00 1.00 C ATOM 1477 CD1 LEU A 103 1.622 5.034 1.921 1.00 1.00 C ATOM 1478 CD2 LEU A 103 1.098 4.229 -0.387 1.00 1.00 C ATOM 0 H LEU A 103 3.749 5.879 -1.356 1.00 1.00 H new ATOM 0 HA LEU A 103 1.020 6.730 -2.052 1.00 1.00 H new ATOM 0 HB2 LEU A 103 2.298 7.303 0.591 1.00 1.00 H new ATOM 0 HB3 LEU A 103 0.635 6.892 0.220 1.00 1.00 H new ATOM 0 HG LEU A 103 2.982 4.969 0.282 1.00 1.00 H new ATOM 0 HD11 LEU A 103 1.810 4.003 2.220 1.00 1.00 H new ATOM 0 HD12 LEU A 103 2.260 5.702 2.500 1.00 1.00 H new ATOM 0 HD13 LEU A 103 0.576 5.280 2.106 1.00 1.00 H new ATOM 0 HD21 LEU A 103 1.293 3.208 -0.057 1.00 1.00 H new ATOM 0 HD22 LEU A 103 0.040 4.456 -0.259 1.00 1.00 H new ATOM 0 HD23 LEU A 103 1.366 4.328 -1.439 1.00 1.00 H new ATOM 1490 N VAL A 104 1.360 9.198 -2.094 1.00 1.00 N ATOM 1491 CA VAL A 104 1.607 10.620 -2.313 1.00 1.00 C ATOM 1492 C VAL A 104 1.353 11.436 -1.046 1.00 1.00 C ATOM 1493 O VAL A 104 2.184 12.253 -0.650 1.00 1.00 O ATOM 1494 CB VAL A 104 0.740 11.181 -3.462 1.00 1.00 C ATOM 1495 CG1 VAL A 104 1.165 10.576 -4.791 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -0.741 10.931 -3.208 1.00 1.00 C ATOM 0 H VAL A 104 0.404 8.900 -2.290 1.00 1.00 H new ATOM 0 HA VAL A 104 2.658 10.710 -2.589 1.00 1.00 H new ATOM 0 HB VAL A 104 0.893 12.259 -3.505 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.545 10.981 -5.590 1.00 1.00 H new ATOM 0 HG12 VAL A 104 2.210 10.819 -4.984 1.00 1.00 H new ATOM 0 HG13 VAL A 104 1.046 9.493 -4.753 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -1.325 11.337 -4.034 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -0.921 9.859 -3.129 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -1.038 11.418 -2.279 1.00 1.00 H new