USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1084 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 44 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0852) USER MOD Set 1.2: A 47 GLN : amide:sc= 0.492 X(o=0.49,f=0) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.25 K(o=-0.13,f=-4.7!) USER MOD Set 2.2: A 77 TYR OH : rot 11:sc= 0.119 USER MOD Set 3.1: A 14 CYS SG : rot -86:sc= -0.547 USER MOD Set 3.2: A 113 SER OG : rot 167:sc= 0.333 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= 0.276 F(o=-1.8!,f=0.28) USER MOD Single : A 40 MET CE :methyl 151:sc= -5.59! (180deg=-7.2!) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.637) USER MOD Single : A 48 MET CE :methyl -116:sc= -0.0823 (180deg=-1.78!) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.29 F(o=-2.5,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.23) USER MOD Single : A 59 SER OG : rot 180:sc= -0.328 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.133 F(o=-0.69,f=-0.13) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 79 TYR OH : rot 165:sc= -1.44 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 165:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0.013) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 80:sc= -3.22! USER MOD Single : A 97 SER OG : rot -150:sc= 0 USER MOD Single : A 98 SER OG : rot 26:sc= 0.145 USER MOD Single : A 102 CYS SG : rot -68:sc= -1.26 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.1) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 MET CE :methyl -171:sc= 0 (180deg=-0.128) USER MOD Single : A 109 MET CE :methyl 175:sc= -0.723 (180deg=-0.779) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.43 K(o=-0.43,f=-3.1!) USER MOD Single : A 120 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.0362 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 136 THR OG1 : rot -56:sc= -0.559 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ -165:sc= -0.577 (180deg=-0.993) USER MOD ----------------------------------------------------------------- ATOM 135 N VAL A 13 17.604 -1.322 -0.504 1.00 44.24 N ATOM 136 CA VAL A 13 16.706 -0.174 -0.529 1.00 35.11 C ATOM 137 C VAL A 13 16.640 0.443 -1.921 1.00 45.43 C ATOM 138 O VAL A 13 17.657 0.563 -2.607 1.00 32.33 O ATOM 139 CB VAL A 13 17.145 0.905 0.479 1.00 70.50 C ATOM 140 CG1 VAL A 13 18.576 1.340 0.205 1.00 25.12 C ATOM 141 CG2 VAL A 13 16.199 2.095 0.431 1.00 33.45 C ATOM 0 HA VAL A 13 15.718 -0.540 -0.250 1.00 35.11 H new ATOM 0 HB VAL A 13 17.105 0.479 1.482 1.00 70.50 H new ATOM 0 HG11 VAL A 13 18.869 2.103 0.927 1.00 25.12 H new ATOM 0 HG12 VAL A 13 19.241 0.481 0.295 1.00 25.12 H new ATOM 0 HG13 VAL A 13 18.645 1.749 -0.803 1.00 25.12 H new ATOM 0 HG21 VAL A 13 16.524 2.847 1.149 1.00 33.45 H new ATOM 0 HG22 VAL A 13 16.204 2.524 -0.571 1.00 33.45 H new ATOM 0 HG23 VAL A 13 15.190 1.768 0.680 1.00 33.45 H new ATOM 151 N CYS A 14 15.440 0.835 -2.333 1.00 72.42 N ATOM 152 CA CYS A 14 15.241 1.440 -3.645 1.00 44.42 C ATOM 153 C CYS A 14 14.769 2.884 -3.512 1.00 3.54 C ATOM 154 O CYS A 14 14.270 3.289 -2.462 1.00 40.23 O ATOM 155 CB CYS A 14 14.227 0.632 -4.455 1.00 14.10 C ATOM 156 SG CYS A 14 14.623 -1.127 -4.590 1.00 50.23 S ATOM 0 H CYS A 14 14.590 0.745 -1.777 1.00 72.42 H new ATOM 0 HA CYS A 14 16.198 1.436 -4.168 1.00 44.42 H new ATOM 0 HB2 CYS A 14 13.244 0.738 -3.996 1.00 14.10 H new ATOM 0 HB3 CYS A 14 14.158 1.056 -5.457 1.00 14.10 H new ATOM 0 HG CYS A 14 15.427 -1.315 -5.594 1.00 50.23 H new ATOM 162 N GLU A 15 14.933 3.657 -4.581 1.00 73.54 N ATOM 163 CA GLU A 15 14.525 5.057 -4.582 1.00 21.44 C ATOM 164 C GLU A 15 13.048 5.193 -4.940 1.00 42.32 C ATOM 165 O GLU A 15 12.391 4.215 -5.295 1.00 33.32 O ATOM 166 CB GLU A 15 15.377 5.859 -5.568 1.00 30.43 C ATOM 167 CG GLU A 15 16.457 6.694 -4.900 1.00 74.22 C ATOM 168 CD GLU A 15 16.145 8.178 -4.924 1.00 72.53 C ATOM 169 OE1 GLU A 15 16.305 8.799 -5.995 1.00 41.54 O ATOM 170 OE2 GLU A 15 15.741 8.717 -3.873 1.00 30.31 O ATOM 0 H GLU A 15 15.346 3.337 -5.457 1.00 73.54 H new ATOM 0 HA GLU A 15 14.675 5.453 -3.578 1.00 21.44 H new ATOM 0 HB2 GLU A 15 15.845 5.172 -6.273 1.00 30.43 H new ATOM 0 HB3 GLU A 15 14.727 6.516 -6.146 1.00 30.43 H new ATOM 0 HG2 GLU A 15 16.576 6.368 -3.867 1.00 74.22 H new ATOM 0 HG3 GLU A 15 17.409 6.518 -5.401 1.00 74.22 H new ATOM 177 N VAL A 16 12.533 6.415 -4.845 1.00 34.24 N ATOM 178 CA VAL A 16 11.134 6.681 -5.159 1.00 30.01 C ATOM 179 C VAL A 16 10.992 7.322 -6.535 1.00 24.11 C ATOM 180 O VAL A 16 11.143 8.535 -6.685 1.00 23.43 O ATOM 181 CB VAL A 16 10.488 7.602 -4.107 1.00 33.32 C ATOM 182 CG1 VAL A 16 11.344 8.839 -3.881 1.00 72.44 C ATOM 183 CG2 VAL A 16 9.079 7.988 -4.531 1.00 50.43 C ATOM 0 H VAL A 16 13.063 7.236 -4.553 1.00 34.24 H new ATOM 0 HA VAL A 16 10.620 5.720 -5.154 1.00 30.01 H new ATOM 0 HB VAL A 16 10.423 7.058 -3.164 1.00 33.32 H new ATOM 0 HG11 VAL A 16 10.871 9.477 -3.135 1.00 72.44 H new ATOM 0 HG12 VAL A 16 12.331 8.539 -3.529 1.00 72.44 H new ATOM 0 HG13 VAL A 16 11.444 9.388 -4.817 1.00 72.44 H new ATOM 0 HG21 VAL A 16 8.637 8.639 -3.776 1.00 50.43 H new ATOM 0 HG22 VAL A 16 9.117 8.513 -5.485 1.00 50.43 H new ATOM 0 HG23 VAL A 16 8.471 7.089 -4.635 1.00 50.43 H new ATOM 193 N ASP A 17 10.701 6.500 -7.537 1.00 62.00 N ATOM 194 CA ASP A 17 10.537 6.987 -8.902 1.00 22.50 C ATOM 195 C ASP A 17 9.888 8.367 -8.913 1.00 3.15 C ATOM 196 O ASP A 17 8.975 8.657 -8.139 1.00 62.31 O ATOM 197 CB ASP A 17 9.693 6.006 -9.718 1.00 12.24 C ATOM 198 CG ASP A 17 9.657 6.360 -11.191 1.00 64.44 C ATOM 199 OD1 ASP A 17 8.797 7.174 -11.586 1.00 52.31 O ATOM 200 OD2 ASP A 17 10.491 5.822 -11.950 1.00 52.31 O ATOM 0 H ASP A 17 10.574 5.494 -7.430 1.00 62.00 H new ATOM 0 HA ASP A 17 11.526 7.067 -9.354 1.00 22.50 H new ATOM 0 HB2 ASP A 17 10.094 5.000 -9.599 1.00 12.24 H new ATOM 0 HB3 ASP A 17 8.676 5.992 -9.326 1.00 12.24 H new ATOM 205 N PRO A 18 10.370 9.241 -9.809 1.00 3.04 N ATOM 206 CA PRO A 18 9.852 10.606 -9.941 1.00 62.11 C ATOM 207 C PRO A 18 8.443 10.637 -10.523 1.00 11.14 C ATOM 208 O PRO A 18 7.645 11.513 -10.192 1.00 10.43 O ATOM 209 CB PRO A 18 10.842 11.269 -10.902 1.00 51.30 C ATOM 210 CG PRO A 18 11.414 10.144 -11.693 1.00 23.02 C ATOM 211 CD PRO A 18 11.458 8.964 -10.762 1.00 32.20 C ATOM 0 HA PRO A 18 9.772 11.107 -8.976 1.00 62.11 H new ATOM 0 HB2 PRO A 18 10.343 11.993 -11.547 1.00 51.30 H new ATOM 0 HB3 PRO A 18 11.620 11.807 -10.360 1.00 51.30 H new ATOM 0 HG2 PRO A 18 10.799 9.929 -12.567 1.00 23.02 H new ATOM 0 HG3 PRO A 18 12.411 10.391 -12.058 1.00 23.02 H new ATOM 0 HD2 PRO A 18 11.297 8.026 -11.294 1.00 32.20 H new ATOM 0 HD3 PRO A 18 12.422 8.884 -10.259 1.00 32.20 H new ATOM 219 N GLU A 19 8.144 9.675 -11.390 1.00 60.00 N ATOM 220 CA GLU A 19 6.830 9.594 -12.017 1.00 61.02 C ATOM 221 C GLU A 19 5.773 9.148 -11.011 1.00 24.13 C ATOM 222 O GLU A 19 4.590 9.456 -11.158 1.00 72.22 O ATOM 223 CB GLU A 19 6.864 8.625 -13.201 1.00 22.23 C ATOM 224 CG GLU A 19 6.515 7.194 -12.826 1.00 43.21 C ATOM 225 CD GLU A 19 5.114 6.804 -13.254 1.00 50.25 C ATOM 226 OE1 GLU A 19 4.244 7.698 -13.319 1.00 72.20 O ATOM 227 OE2 GLU A 19 4.887 5.606 -13.525 1.00 2.43 O ATOM 0 H GLU A 19 8.793 8.941 -11.674 1.00 60.00 H new ATOM 0 HA GLU A 19 6.566 10.588 -12.378 1.00 61.02 H new ATOM 0 HB2 GLU A 19 6.167 8.972 -13.964 1.00 22.23 H new ATOM 0 HB3 GLU A 19 7.859 8.643 -13.646 1.00 22.23 H new ATOM 0 HG2 GLU A 19 7.234 6.516 -13.287 1.00 43.21 H new ATOM 0 HG3 GLU A 19 6.608 7.072 -11.747 1.00 43.21 H new ATOM 234 N LEU A 20 6.209 8.420 -9.988 1.00 51.40 N ATOM 235 CA LEU A 20 5.301 7.931 -8.956 1.00 65.52 C ATOM 236 C LEU A 20 5.132 8.962 -7.846 1.00 13.42 C ATOM 237 O LEU A 20 4.012 9.275 -7.439 1.00 63.23 O ATOM 238 CB LEU A 20 5.824 6.617 -8.372 1.00 32.12 C ATOM 239 CG LEU A 20 4.766 5.662 -7.816 1.00 45.13 C ATOM 240 CD1 LEU A 20 5.395 4.328 -7.444 1.00 52.12 C ATOM 241 CD2 LEU A 20 4.070 6.280 -6.613 1.00 33.23 C ATOM 0 H LEU A 20 7.185 8.156 -9.851 1.00 51.40 H new ATOM 0 HA LEU A 20 4.328 7.757 -9.415 1.00 65.52 H new ATOM 0 HB2 LEU A 20 6.384 6.095 -9.148 1.00 32.12 H new ATOM 0 HB3 LEU A 20 6.528 6.852 -7.574 1.00 32.12 H new ATOM 0 HG LEU A 20 4.020 5.485 -8.591 1.00 45.13 H new ATOM 0 HD11 LEU A 20 4.628 3.661 -7.050 1.00 52.12 H new ATOM 0 HD12 LEU A 20 5.847 3.879 -8.329 1.00 52.12 H new ATOM 0 HD13 LEU A 20 6.162 4.486 -6.686 1.00 52.12 H new ATOM 0 HD21 LEU A 20 3.321 5.587 -6.230 1.00 33.23 H new ATOM 0 HD22 LEU A 20 4.804 6.487 -5.834 1.00 33.23 H new ATOM 0 HD23 LEU A 20 3.586 7.210 -6.911 1.00 33.23 H new ATOM 253 N LYS A 21 6.250 9.490 -7.360 1.00 11.51 N ATOM 254 CA LYS A 21 6.226 10.490 -6.299 1.00 5.31 C ATOM 255 C LYS A 21 5.011 11.401 -6.436 1.00 52.35 C ATOM 256 O LYS A 21 4.318 11.677 -5.458 1.00 54.41 O ATOM 257 CB LYS A 21 7.509 11.325 -6.328 1.00 53.22 C ATOM 258 CG LYS A 21 7.707 12.178 -5.087 1.00 45.45 C ATOM 259 CD LYS A 21 8.345 13.515 -5.426 1.00 52.54 C ATOM 260 CE LYS A 21 9.825 13.532 -5.076 1.00 13.34 C ATOM 261 NZ LYS A 21 10.232 14.822 -4.453 1.00 4.04 N ATOM 0 H LYS A 21 7.185 9.242 -7.684 1.00 11.51 H new ATOM 0 HA LYS A 21 6.160 9.968 -5.344 1.00 5.31 H new ATOM 0 HB2 LYS A 21 8.364 10.658 -6.441 1.00 53.22 H new ATOM 0 HB3 LYS A 21 7.492 11.972 -7.205 1.00 53.22 H new ATOM 0 HG2 LYS A 21 6.745 12.345 -4.602 1.00 45.45 H new ATOM 0 HG3 LYS A 21 8.335 11.644 -4.374 1.00 45.45 H new ATOM 0 HD2 LYS A 21 8.219 13.720 -6.489 1.00 52.54 H new ATOM 0 HD3 LYS A 21 7.833 14.311 -4.885 1.00 52.54 H new ATOM 0 HE2 LYS A 21 10.046 12.713 -4.392 1.00 13.34 H new ATOM 0 HE3 LYS A 21 10.414 13.362 -5.978 1.00 13.34 H new ATOM 0 HZ1 LYS A 21 11.247 14.794 -4.229 1.00 4.04 H new ATOM 0 HZ2 LYS A 21 10.045 15.602 -5.115 1.00 4.04 H new ATOM 0 HZ3 LYS A 21 9.689 14.972 -3.579 1.00 4.04 H new ATOM 275 N GLU A 22 4.758 11.863 -7.657 1.00 42.22 N ATOM 276 CA GLU A 22 3.625 12.742 -7.921 1.00 42.51 C ATOM 277 C GLU A 22 2.305 12.013 -7.689 1.00 10.34 C ATOM 278 O GLU A 22 1.399 12.536 -7.039 1.00 1.34 O ATOM 279 CB GLU A 22 3.684 13.269 -9.356 1.00 54.35 C ATOM 280 CG GLU A 22 5.066 13.741 -9.776 1.00 72.41 C ATOM 281 CD GLU A 22 5.018 14.778 -10.881 1.00 11.33 C ATOM 282 OE1 GLU A 22 4.614 15.926 -10.600 1.00 44.22 O ATOM 283 OE2 GLU A 22 5.385 14.442 -12.026 1.00 75.23 O ATOM 0 H GLU A 22 5.322 11.643 -8.478 1.00 42.22 H new ATOM 0 HA GLU A 22 3.682 13.583 -7.230 1.00 42.51 H new ATOM 0 HB2 GLU A 22 3.356 12.483 -10.036 1.00 54.35 H new ATOM 0 HB3 GLU A 22 2.980 14.095 -9.460 1.00 54.35 H new ATOM 0 HG2 GLU A 22 5.581 14.160 -8.912 1.00 72.41 H new ATOM 0 HG3 GLU A 22 5.652 12.885 -10.111 1.00 72.41 H new ATOM 290 N THR A 23 2.203 10.801 -8.225 1.00 55.22 N ATOM 291 CA THR A 23 0.994 10.000 -8.079 1.00 11.24 C ATOM 292 C THR A 23 0.475 10.045 -6.646 1.00 52.30 C ATOM 293 O THR A 23 -0.731 10.142 -6.415 1.00 12.15 O ATOM 294 CB THR A 23 1.241 8.533 -8.477 1.00 74.12 C ATOM 295 OG1 THR A 23 1.311 8.418 -9.903 1.00 23.22 O ATOM 296 CG2 THR A 23 0.135 7.634 -7.945 1.00 55.30 C ATOM 0 H THR A 23 2.943 10.352 -8.764 1.00 55.22 H new ATOM 0 HA THR A 23 0.247 10.429 -8.747 1.00 11.24 H new ATOM 0 HB THR A 23 2.188 8.215 -8.040 1.00 74.12 H new ATOM 0 HG1 THR A 23 1.470 7.483 -10.148 1.00 23.22 H new ATOM 0 HG21 THR A 23 0.331 6.603 -8.239 1.00 55.30 H new ATOM 0 HG22 THR A 23 0.103 7.702 -6.858 1.00 55.30 H new ATOM 0 HG23 THR A 23 -0.823 7.953 -8.357 1.00 55.30 H new ATOM 304 N LEU A 24 1.391 9.975 -5.687 1.00 45.22 N ATOM 305 CA LEU A 24 1.026 10.009 -4.275 1.00 70.03 C ATOM 306 C LEU A 24 0.541 11.398 -3.871 1.00 71.44 C ATOM 307 O LEU A 24 -0.559 11.551 -3.339 1.00 44.44 O ATOM 308 CB LEU A 24 2.219 9.601 -3.409 1.00 42.24 C ATOM 309 CG LEU A 24 3.007 8.380 -3.885 1.00 2.03 C ATOM 310 CD1 LEU A 24 4.181 8.108 -2.957 1.00 33.45 C ATOM 311 CD2 LEU A 24 2.100 7.161 -3.973 1.00 3.24 C ATOM 0 H LEU A 24 2.393 9.894 -5.861 1.00 45.22 H new ATOM 0 HA LEU A 24 0.213 9.301 -4.119 1.00 70.03 H new ATOM 0 HB2 LEU A 24 2.903 10.448 -3.345 1.00 42.24 H new ATOM 0 HB3 LEU A 24 1.859 9.405 -2.399 1.00 42.24 H new ATOM 0 HG LEU A 24 3.398 8.589 -4.881 1.00 2.03 H new ATOM 0 HD11 LEU A 24 4.730 7.236 -3.311 1.00 33.45 H new ATOM 0 HD12 LEU A 24 4.843 8.974 -2.945 1.00 33.45 H new ATOM 0 HD13 LEU A 24 3.812 7.920 -1.949 1.00 33.45 H new ATOM 0 HD21 LEU A 24 2.678 6.302 -4.313 1.00 3.24 H new ATOM 0 HD22 LEU A 24 1.679 6.949 -2.990 1.00 3.24 H new ATOM 0 HD23 LEU A 24 1.293 7.358 -4.679 1.00 3.24 H new ATOM 323 N ARG A 25 1.368 12.406 -4.130 1.00 35.34 N ATOM 324 CA ARG A 25 1.022 13.782 -3.794 1.00 24.21 C ATOM 325 C ARG A 25 -0.347 14.152 -4.356 1.00 61.45 C ATOM 326 O ARG A 25 -1.068 14.966 -3.779 1.00 74.54 O ATOM 327 CB ARG A 25 2.084 14.742 -4.333 1.00 53.44 C ATOM 328 CG ARG A 25 1.858 16.190 -3.928 1.00 75.23 C ATOM 329 CD ARG A 25 2.744 17.136 -4.723 1.00 24.33 C ATOM 330 NE ARG A 25 3.832 17.677 -3.912 1.00 31.10 N ATOM 331 CZ ARG A 25 3.641 18.406 -2.818 1.00 55.44 C ATOM 332 NH1 ARG A 25 2.410 18.680 -2.407 1.00 22.01 N ATOM 333 NH2 ARG A 25 4.681 18.863 -2.134 1.00 2.43 N ATOM 0 H ARG A 25 2.281 12.296 -4.571 1.00 35.34 H new ATOM 0 HA ARG A 25 0.983 13.866 -2.708 1.00 24.21 H new ATOM 0 HB2 ARG A 25 3.064 14.423 -3.978 1.00 53.44 H new ATOM 0 HB3 ARG A 25 2.102 14.676 -5.421 1.00 53.44 H new ATOM 0 HG2 ARG A 25 0.812 16.453 -4.083 1.00 75.23 H new ATOM 0 HG3 ARG A 25 2.062 16.307 -2.864 1.00 75.23 H new ATOM 0 HD2 ARG A 25 3.159 16.608 -5.582 1.00 24.33 H new ATOM 0 HD3 ARG A 25 2.141 17.955 -5.114 1.00 24.33 H new ATOM 0 HE ARG A 25 4.791 17.484 -4.202 1.00 31.10 H new ATOM 0 HH11 ARG A 25 1.608 18.331 -2.931 1.00 22.01 H new ATOM 0 HH12 ARG A 25 2.266 19.240 -1.567 1.00 22.01 H new ATOM 0 HH21 ARG A 25 5.629 18.655 -2.448 1.00 2.43 H new ATOM 0 HH22 ARG A 25 4.533 19.423 -1.294 1.00 2.43 H new ATOM 347 N LYS A 26 -0.699 13.549 -5.487 1.00 63.30 N ATOM 348 CA LYS A 26 -1.981 13.813 -6.129 1.00 31.14 C ATOM 349 C LYS A 26 -3.091 12.984 -5.489 1.00 4.43 C ATOM 350 O LYS A 26 -4.178 13.492 -5.215 1.00 34.34 O ATOM 351 CB LYS A 26 -1.899 13.505 -7.625 1.00 61.14 C ATOM 352 CG LYS A 26 -0.618 13.996 -8.278 1.00 13.20 C ATOM 353 CD LYS A 26 -0.906 14.980 -9.400 1.00 1.14 C ATOM 354 CE LYS A 26 0.141 14.893 -10.499 1.00 43.43 C ATOM 355 NZ LYS A 26 -0.479 14.746 -11.845 1.00 64.42 N ATOM 0 H LYS A 26 -0.113 12.873 -5.978 1.00 63.30 H new ATOM 0 HA LYS A 26 -2.216 14.869 -5.994 1.00 31.14 H new ATOM 0 HB2 LYS A 26 -1.981 12.428 -7.771 1.00 61.14 H new ATOM 0 HB3 LYS A 26 -2.751 13.961 -8.129 1.00 61.14 H new ATOM 0 HG2 LYS A 26 0.014 14.472 -7.529 1.00 13.20 H new ATOM 0 HG3 LYS A 26 -0.060 13.146 -8.672 1.00 13.20 H new ATOM 0 HD2 LYS A 26 -1.892 14.778 -9.818 1.00 1.14 H new ATOM 0 HD3 LYS A 26 -0.931 15.993 -8.999 1.00 1.14 H new ATOM 0 HE2 LYS A 26 0.762 15.789 -10.481 1.00 43.43 H new ATOM 0 HE3 LYS A 26 0.799 14.045 -10.308 1.00 43.43 H new ATOM 0 HZ1 LYS A 26 0.268 14.690 -12.567 1.00 64.42 H new ATOM 0 HZ2 LYS A 26 -1.051 13.878 -11.871 1.00 64.42 H new ATOM 0 HZ3 LYS A 26 -1.087 15.567 -12.039 1.00 64.42 H new ATOM 369 N PHE A 27 -2.808 11.708 -5.252 1.00 21.32 N ATOM 370 CA PHE A 27 -3.782 10.809 -4.643 1.00 50.23 C ATOM 371 C PHE A 27 -4.292 11.375 -3.321 1.00 21.20 C ATOM 372 O PHE A 27 -5.488 11.326 -3.033 1.00 22.13 O ATOM 373 CB PHE A 27 -3.162 9.429 -4.415 1.00 42.23 C ATOM 374 CG PHE A 27 -4.177 8.345 -4.191 1.00 51.23 C ATOM 375 CD1 PHE A 27 -5.175 8.109 -5.123 1.00 41.22 C ATOM 376 CD2 PHE A 27 -4.133 7.562 -3.049 1.00 73.03 C ATOM 377 CE1 PHE A 27 -6.111 7.113 -4.919 1.00 62.11 C ATOM 378 CE2 PHE A 27 -5.066 6.564 -2.840 1.00 34.12 C ATOM 379 CZ PHE A 27 -6.056 6.339 -3.777 1.00 22.53 C ATOM 0 H PHE A 27 -1.912 11.273 -5.472 1.00 21.32 H new ATOM 0 HA PHE A 27 -4.626 10.712 -5.326 1.00 50.23 H new ATOM 0 HB2 PHE A 27 -2.548 9.168 -5.277 1.00 42.23 H new ATOM 0 HB3 PHE A 27 -2.497 9.476 -3.553 1.00 42.23 H new ATOM 0 HD1 PHE A 27 -5.222 8.710 -6.019 1.00 41.22 H new ATOM 0 HD2 PHE A 27 -3.361 7.733 -2.314 1.00 73.03 H new ATOM 0 HE1 PHE A 27 -6.885 6.940 -5.652 1.00 62.11 H new ATOM 0 HE2 PHE A 27 -5.021 5.961 -1.945 1.00 34.12 H new ATOM 0 HZ PHE A 27 -6.786 5.559 -3.616 1.00 22.53 H new ATOM 389 N ARG A 28 -3.376 11.911 -2.521 1.00 62.30 N ATOM 390 CA ARG A 28 -3.731 12.484 -1.229 1.00 14.04 C ATOM 391 C ARG A 28 -4.605 13.723 -1.405 1.00 62.31 C ATOM 392 O ARG A 28 -5.388 14.074 -0.522 1.00 43.22 O ATOM 393 CB ARG A 28 -2.470 12.844 -0.442 1.00 42.31 C ATOM 394 CG ARG A 28 -1.282 11.948 -0.752 1.00 41.23 C ATOM 395 CD ARG A 28 -0.595 11.474 0.519 1.00 72.43 C ATOM 396 NE ARG A 28 0.076 12.566 1.219 1.00 71.43 N ATOM 397 CZ ARG A 28 1.221 13.104 0.814 1.00 12.21 C ATOM 398 NH1 ARG A 28 1.819 12.654 -0.281 1.00 15.44 N ATOM 399 NH2 ARG A 28 1.770 14.095 1.505 1.00 53.43 N ATOM 0 H ARG A 28 -2.382 11.960 -2.745 1.00 62.30 H new ATOM 0 HA ARG A 28 -4.297 11.737 -0.672 1.00 14.04 H new ATOM 0 HB2 ARG A 28 -2.200 13.878 -0.657 1.00 42.31 H new ATOM 0 HB3 ARG A 28 -2.689 12.787 0.624 1.00 42.31 H new ATOM 0 HG2 ARG A 28 -1.616 11.086 -1.329 1.00 41.23 H new ATOM 0 HG3 ARG A 28 -0.568 12.490 -1.372 1.00 41.23 H new ATOM 0 HD2 ARG A 28 -1.332 11.018 1.181 1.00 72.43 H new ATOM 0 HD3 ARG A 28 0.133 10.701 0.271 1.00 72.43 H new ATOM 0 HE ARG A 28 -0.358 12.936 2.065 1.00 71.43 H new ATOM 0 HH11 ARG A 28 1.400 11.893 -0.815 1.00 15.44 H new ATOM 0 HH12 ARG A 28 2.698 13.069 -0.589 1.00 15.44 H new ATOM 0 HH21 ARG A 28 1.313 14.444 2.347 1.00 53.43 H new ATOM 0 HH22 ARG A 28 2.649 14.508 1.194 1.00 53.43 H new ATOM 413 N PHE A 29 -4.465 14.381 -2.551 1.00 64.21 N ATOM 414 CA PHE A 29 -5.239 15.581 -2.843 1.00 54.21 C ATOM 415 C PHE A 29 -5.910 15.477 -4.210 1.00 21.33 C ATOM 416 O PHE A 29 -5.953 16.446 -4.968 1.00 31.05 O ATOM 417 CB PHE A 29 -4.340 16.818 -2.797 1.00 1.20 C ATOM 418 CG PHE A 29 -3.136 16.652 -1.914 1.00 35.32 C ATOM 419 CD1 PHE A 29 -3.273 16.197 -0.612 1.00 74.54 C ATOM 420 CD2 PHE A 29 -1.868 16.951 -2.385 1.00 73.10 C ATOM 421 CE1 PHE A 29 -2.168 16.042 0.203 1.00 60.21 C ATOM 422 CE2 PHE A 29 -0.759 16.798 -1.575 1.00 33.24 C ATOM 423 CZ PHE A 29 -0.909 16.344 -0.279 1.00 34.13 C ATOM 0 H PHE A 29 -3.822 14.103 -3.293 1.00 64.21 H new ATOM 0 HA PHE A 29 -6.015 15.676 -2.083 1.00 54.21 H new ATOM 0 HB2 PHE A 29 -4.009 17.055 -3.808 1.00 1.20 H new ATOM 0 HB3 PHE A 29 -4.924 17.669 -2.446 1.00 1.20 H new ATOM 0 HD1 PHE A 29 -4.255 15.961 -0.230 1.00 74.54 H new ATOM 0 HD2 PHE A 29 -1.745 17.308 -3.397 1.00 73.10 H new ATOM 0 HE1 PHE A 29 -2.288 15.685 1.215 1.00 60.21 H new ATOM 0 HE2 PHE A 29 0.224 17.033 -1.955 1.00 33.24 H new ATOM 0 HZ PHE A 29 -0.044 16.225 0.356 1.00 34.13 H new ATOM 433 N ARG A 30 -6.431 14.294 -4.517 1.00 72.44 N ATOM 434 CA ARG A 30 -7.098 14.061 -5.793 1.00 30.11 C ATOM 435 C ARG A 30 -8.466 14.736 -5.822 1.00 72.22 C ATOM 436 O ARG A 30 -8.991 15.146 -4.787 1.00 21.34 O ATOM 437 CB ARG A 30 -7.252 12.560 -6.046 1.00 14.04 C ATOM 438 CG ARG A 30 -8.000 11.830 -4.941 1.00 44.25 C ATOM 439 CD ARG A 30 -7.566 10.376 -4.842 1.00 4.20 C ATOM 440 NE ARG A 30 -8.630 9.459 -5.239 1.00 71.35 N ATOM 441 CZ ARG A 30 -9.661 9.147 -4.461 1.00 44.42 C ATOM 442 NH1 ARG A 30 -9.765 9.678 -3.250 1.00 72.45 N ATOM 443 NH2 ARG A 30 -10.590 8.304 -4.894 1.00 5.41 N ATOM 0 H ARG A 30 -6.404 13.482 -3.900 1.00 72.44 H new ATOM 0 HA ARG A 30 -6.482 14.494 -6.581 1.00 30.11 H new ATOM 0 HB2 ARG A 30 -7.778 12.411 -6.989 1.00 14.04 H new ATOM 0 HB3 ARG A 30 -6.263 12.116 -6.159 1.00 14.04 H new ATOM 0 HG2 ARG A 30 -7.823 12.330 -3.989 1.00 44.25 H new ATOM 0 HG3 ARG A 30 -9.072 11.879 -5.132 1.00 44.25 H new ATOM 0 HD2 ARG A 30 -6.693 10.214 -5.475 1.00 4.20 H new ATOM 0 HD3 ARG A 30 -7.262 10.157 -3.818 1.00 4.20 H new ATOM 0 HE ARG A 30 -8.579 9.034 -6.165 1.00 71.35 H new ATOM 0 HH11 ARG A 30 -9.053 10.327 -2.915 1.00 72.45 H new ATOM 0 HH12 ARG A 30 -10.557 9.438 -2.654 1.00 72.45 H new ATOM 0 HH21 ARG A 30 -10.513 7.895 -5.825 1.00 5.41 H new ATOM 0 HH22 ARG A 30 -11.381 8.065 -4.296 1.00 5.41 H new ATOM 508 N ASN A 34 -14.237 9.015 -3.488 1.00 65.44 N ATOM 509 CA ASN A 34 -14.579 7.610 -3.296 1.00 61.02 C ATOM 510 C ASN A 34 -13.356 6.806 -2.865 1.00 11.25 C ATOM 511 O ASN A 34 -12.277 7.360 -2.662 1.00 45.12 O ATOM 512 CB ASN A 34 -15.159 7.024 -4.585 1.00 13.11 C ATOM 513 CG ASN A 34 -14.252 7.244 -5.780 1.00 21.20 C ATOM 514 OD1 ASN A 34 -13.406 6.261 -6.069 1.00 41.42 O flip ATOM 515 ND2 ASN A 34 -14.311 8.284 -6.435 1.00 54.52 N flip ATOM 0 HA ASN A 34 -15.329 7.549 -2.507 1.00 61.02 H new ATOM 0 HB2 ASN A 34 -15.327 5.955 -4.452 1.00 13.11 H new ATOM 0 HB3 ASN A 34 -16.131 7.477 -4.782 1.00 13.11 H new ATOM 0 HD21 ASN A 34 -14.977 9.012 -6.177 1.00 54.52 H new ATOM 0 HD22 ASN A 34 -13.694 8.418 -7.236 1.00 54.52 H new ATOM 522 N ASN A 35 -13.534 5.496 -2.726 1.00 54.42 N ATOM 523 CA ASN A 35 -12.446 4.616 -2.319 1.00 22.44 C ATOM 524 C ASN A 35 -11.589 4.219 -3.517 1.00 74.23 C ATOM 525 O ASN A 35 -12.102 3.736 -4.526 1.00 62.44 O ATOM 526 CB ASN A 35 -13.003 3.363 -1.639 1.00 4.35 C ATOM 527 CG ASN A 35 -13.492 3.639 -0.230 1.00 2.51 C ATOM 528 OD1 ASN A 35 -13.373 4.757 0.272 1.00 0.15 O ATOM 529 ND2 ASN A 35 -14.045 2.619 0.415 1.00 74.13 N ATOM 0 H ASN A 35 -14.422 5.021 -2.889 1.00 54.42 H new ATOM 0 HA ASN A 35 -11.820 5.158 -1.611 1.00 22.44 H new ATOM 0 HB2 ASN A 35 -13.825 2.965 -2.234 1.00 4.35 H new ATOM 0 HB3 ASN A 35 -12.230 2.595 -1.609 1.00 4.35 H new ATOM 0 HD21 ASN A 35 -14.392 2.745 1.366 1.00 74.13 H new ATOM 0 HD22 ASN A 35 -14.123 1.710 -0.040 1.00 74.13 H new ATOM 536 N ALA A 36 -10.282 4.426 -3.398 1.00 31.00 N ATOM 537 CA ALA A 36 -9.354 4.088 -4.470 1.00 31.41 C ATOM 538 C ALA A 36 -8.095 3.427 -3.918 1.00 52.31 C ATOM 539 O ALA A 36 -7.731 3.634 -2.761 1.00 30.51 O ATOM 540 CB ALA A 36 -8.993 5.332 -5.268 1.00 33.21 C ATOM 0 H ALA A 36 -9.842 4.826 -2.570 1.00 31.00 H new ATOM 0 HA ALA A 36 -9.846 3.376 -5.132 1.00 31.41 H new ATOM 0 HB1 ALA A 36 -8.299 5.064 -6.065 1.00 33.21 H new ATOM 0 HB2 ALA A 36 -9.896 5.761 -5.702 1.00 33.21 H new ATOM 0 HB3 ALA A 36 -8.524 6.063 -4.610 1.00 33.21 H new ATOM 546 N ALA A 37 -7.435 2.632 -4.754 1.00 0.05 N ATOM 547 CA ALA A 37 -6.216 1.942 -4.349 1.00 51.52 C ATOM 548 C ALA A 37 -5.103 2.152 -5.370 1.00 24.32 C ATOM 549 O ALA A 37 -5.364 2.323 -6.561 1.00 20.40 O ATOM 550 CB ALA A 37 -6.488 0.458 -4.159 1.00 31.41 C ATOM 0 H ALA A 37 -7.724 2.450 -5.715 1.00 0.05 H new ATOM 0 HA ALA A 37 -5.887 2.364 -3.399 1.00 51.52 H new ATOM 0 HB1 ALA A 37 -5.569 -0.045 -3.857 1.00 31.41 H new ATOM 0 HB2 ALA A 37 -7.246 0.323 -3.388 1.00 31.41 H new ATOM 0 HB3 ALA A 37 -6.844 0.030 -5.096 1.00 31.41 H new ATOM 556 N ILE A 38 -3.861 2.138 -4.896 1.00 35.14 N ATOM 557 CA ILE A 38 -2.709 2.326 -5.768 1.00 21.12 C ATOM 558 C ILE A 38 -1.629 1.288 -5.483 1.00 22.20 C ATOM 559 O ILE A 38 -0.986 1.318 -4.433 1.00 40.32 O ATOM 560 CB ILE A 38 -2.106 3.734 -5.609 1.00 12.23 C ATOM 561 CG1 ILE A 38 -3.216 4.786 -5.571 1.00 13.54 C ATOM 562 CG2 ILE A 38 -1.132 4.025 -6.741 1.00 33.41 C ATOM 563 CD1 ILE A 38 -2.701 6.209 -5.571 1.00 71.30 C ATOM 0 H ILE A 38 -3.628 1.998 -3.913 1.00 35.14 H new ATOM 0 HA ILE A 38 -3.065 2.206 -6.791 1.00 21.12 H new ATOM 0 HB ILE A 38 -1.560 3.775 -4.667 1.00 12.23 H new ATOM 0 HG12 ILE A 38 -3.869 4.645 -6.432 1.00 13.54 H new ATOM 0 HG13 ILE A 38 -3.824 4.628 -4.680 1.00 13.54 H new ATOM 0 HG21 ILE A 38 -0.715 5.024 -6.614 1.00 33.41 H new ATOM 0 HG22 ILE A 38 -0.327 3.291 -6.726 1.00 33.41 H new ATOM 0 HG23 ILE A 38 -1.656 3.969 -7.695 1.00 33.41 H new ATOM 0 HD11 ILE A 38 -3.543 6.901 -5.543 1.00 71.30 H new ATOM 0 HD12 ILE A 38 -2.072 6.368 -4.695 1.00 71.30 H new ATOM 0 HD13 ILE A 38 -2.117 6.385 -6.474 1.00 71.30 H new ATOM 575 N ILE A 39 -1.434 0.371 -6.425 1.00 43.30 N ATOM 576 CA ILE A 39 -0.429 -0.674 -6.276 1.00 72.44 C ATOM 577 C ILE A 39 0.869 -0.293 -6.980 1.00 21.53 C ATOM 578 O ILE A 39 0.891 -0.080 -8.191 1.00 53.15 O ATOM 579 CB ILE A 39 -0.929 -2.019 -6.838 1.00 3.32 C ATOM 580 CG1 ILE A 39 -2.247 -2.417 -6.171 1.00 11.41 C ATOM 581 CG2 ILE A 39 0.122 -3.101 -6.635 1.00 15.53 C ATOM 582 CD1 ILE A 39 -3.351 -2.734 -7.156 1.00 2.55 C ATOM 0 H ILE A 39 -1.959 0.331 -7.299 1.00 43.30 H new ATOM 0 HA ILE A 39 -0.242 -0.782 -5.208 1.00 72.44 H new ATOM 0 HB ILE A 39 -1.105 -1.906 -7.908 1.00 3.32 H new ATOM 0 HG12 ILE A 39 -2.076 -3.287 -5.537 1.00 11.41 H new ATOM 0 HG13 ILE A 39 -2.574 -1.607 -5.519 1.00 11.41 H new ATOM 0 HG21 ILE A 39 -0.246 -4.045 -7.037 1.00 15.53 H new ATOM 0 HG22 ILE A 39 1.039 -2.819 -7.152 1.00 15.53 H new ATOM 0 HG23 ILE A 39 0.326 -3.215 -5.570 1.00 15.53 H new ATOM 0 HD11 ILE A 39 -4.255 -3.008 -6.613 1.00 2.55 H new ATOM 0 HD12 ILE A 39 -3.550 -1.858 -7.774 1.00 2.55 H new ATOM 0 HD13 ILE A 39 -3.044 -3.564 -7.792 1.00 2.55 H new ATOM 594 N MET A 40 1.950 -0.212 -6.211 1.00 41.10 N ATOM 595 CA MET A 40 3.254 0.140 -6.761 1.00 51.24 C ATOM 596 C MET A 40 4.242 -1.010 -6.598 1.00 31.35 C ATOM 597 O MET A 40 4.193 -1.750 -5.614 1.00 55.52 O ATOM 598 CB MET A 40 3.798 1.396 -6.078 1.00 14.14 C ATOM 599 CG MET A 40 2.748 2.474 -5.863 1.00 35.15 C ATOM 600 SD MET A 40 2.992 3.385 -4.326 1.00 35.45 S ATOM 601 CE MET A 40 1.553 2.866 -3.393 1.00 11.31 C ATOM 0 H MET A 40 1.949 -0.385 -5.206 1.00 41.10 H new ATOM 0 HA MET A 40 3.129 0.340 -7.825 1.00 51.24 H new ATOM 0 HB2 MET A 40 4.225 1.119 -5.114 1.00 14.14 H new ATOM 0 HB3 MET A 40 4.609 1.805 -6.681 1.00 14.14 H new ATOM 0 HG2 MET A 40 2.771 3.170 -6.701 1.00 35.15 H new ATOM 0 HG3 MET A 40 1.759 2.016 -5.856 1.00 35.15 H new ATOM 0 HE1 MET A 40 1.782 2.890 -2.328 1.00 11.31 H new ATOM 0 HE2 MET A 40 0.722 3.540 -3.601 1.00 11.31 H new ATOM 0 HE3 MET A 40 1.278 1.852 -3.682 1.00 11.31 H new ATOM 611 N LYS A 41 5.139 -1.157 -7.567 1.00 12.31 N ATOM 612 CA LYS A 41 6.140 -2.217 -7.530 1.00 55.53 C ATOM 613 C LYS A 41 7.548 -1.637 -7.609 1.00 24.31 C ATOM 614 O LYS A 41 7.726 -0.427 -7.748 1.00 61.14 O ATOM 615 CB LYS A 41 5.915 -3.198 -8.683 1.00 21.01 C ATOM 616 CG LYS A 41 6.332 -2.651 -10.037 1.00 62.42 C ATOM 617 CD LYS A 41 7.332 -3.566 -10.724 1.00 24.22 C ATOM 618 CE LYS A 41 7.276 -3.418 -12.237 1.00 4.24 C ATOM 619 NZ LYS A 41 8.103 -4.447 -12.926 1.00 21.02 N ATOM 0 H LYS A 41 5.193 -0.555 -8.388 1.00 12.31 H new ATOM 0 HA LYS A 41 6.037 -2.748 -6.584 1.00 55.53 H new ATOM 0 HB2 LYS A 41 6.471 -4.114 -8.484 1.00 21.01 H new ATOM 0 HB3 LYS A 41 4.859 -3.468 -8.719 1.00 21.01 H new ATOM 0 HG2 LYS A 41 5.452 -2.532 -10.669 1.00 62.42 H new ATOM 0 HG3 LYS A 41 6.770 -1.661 -9.911 1.00 62.42 H new ATOM 0 HD2 LYS A 41 8.338 -3.337 -10.372 1.00 24.22 H new ATOM 0 HD3 LYS A 41 7.127 -4.601 -10.451 1.00 24.22 H new ATOM 0 HE2 LYS A 41 6.242 -3.499 -12.572 1.00 4.24 H new ATOM 0 HE3 LYS A 41 7.625 -2.424 -12.518 1.00 4.24 H new ATOM 0 HZ1 LYS A 41 7.823 -4.504 -13.926 1.00 21.02 H new ATOM 0 HZ2 LYS A 41 9.107 -4.185 -12.862 1.00 21.02 H new ATOM 0 HZ3 LYS A 41 7.956 -5.371 -12.472 1.00 21.02 H new ATOM 633 N VAL A 42 8.548 -2.509 -7.520 1.00 32.41 N ATOM 634 CA VAL A 42 9.941 -2.085 -7.584 1.00 1.44 C ATOM 635 C VAL A 42 10.689 -2.818 -8.691 1.00 22.42 C ATOM 636 O VAL A 42 10.746 -4.048 -8.706 1.00 72.14 O ATOM 637 CB VAL A 42 10.663 -2.325 -6.244 1.00 70.25 C ATOM 638 CG1 VAL A 42 10.138 -3.585 -5.574 1.00 20.44 C ATOM 639 CG2 VAL A 42 12.167 -2.412 -6.458 1.00 74.03 C ATOM 0 H VAL A 42 8.418 -3.514 -7.403 1.00 32.41 H new ATOM 0 HA VAL A 42 9.937 -1.017 -7.799 1.00 1.44 H new ATOM 0 HB VAL A 42 10.461 -1.481 -5.585 1.00 70.25 H new ATOM 0 HG11 VAL A 42 10.659 -3.739 -4.629 1.00 20.44 H new ATOM 0 HG12 VAL A 42 9.070 -3.479 -5.386 1.00 20.44 H new ATOM 0 HG13 VAL A 42 10.308 -4.442 -6.226 1.00 20.44 H new ATOM 0 HG21 VAL A 42 12.661 -2.582 -5.502 1.00 74.03 H new ATOM 0 HG22 VAL A 42 12.391 -3.237 -7.134 1.00 74.03 H new ATOM 0 HG23 VAL A 42 12.527 -1.479 -6.892 1.00 74.03 H new ATOM 649 N ASP A 43 11.263 -2.056 -9.615 1.00 73.13 N ATOM 650 CA ASP A 43 12.010 -2.634 -10.727 1.00 12.43 C ATOM 651 C ASP A 43 13.434 -2.979 -10.303 1.00 32.42 C ATOM 652 O ASP A 43 14.197 -2.109 -9.883 1.00 31.43 O ATOM 653 CB ASP A 43 12.038 -1.664 -11.909 1.00 54.30 C ATOM 654 CG ASP A 43 10.818 -1.801 -12.799 1.00 41.12 C ATOM 655 OD1 ASP A 43 10.244 -2.909 -12.853 1.00 11.21 O ATOM 656 OD2 ASP A 43 10.437 -0.800 -13.441 1.00 64.15 O ATOM 0 H ASP A 43 11.226 -1.037 -9.617 1.00 73.13 H new ATOM 0 HA ASP A 43 11.508 -3.552 -11.032 1.00 12.43 H new ATOM 0 HB2 ASP A 43 12.099 -0.642 -11.535 1.00 54.30 H new ATOM 0 HB3 ASP A 43 12.937 -1.841 -12.500 1.00 54.30 H new ATOM 661 N LYS A 44 13.785 -4.256 -10.415 1.00 5.12 N ATOM 662 CA LYS A 44 15.118 -4.718 -10.044 1.00 35.42 C ATOM 663 C LYS A 44 16.169 -4.180 -11.009 1.00 11.32 C ATOM 664 O LYS A 44 17.364 -4.197 -10.713 1.00 13.14 O ATOM 665 CB LYS A 44 15.162 -6.248 -10.026 1.00 42.01 C ATOM 666 CG LYS A 44 16.364 -6.813 -9.289 1.00 11.13 C ATOM 667 CD LYS A 44 17.294 -7.561 -10.229 1.00 33.51 C ATOM 668 CE LYS A 44 18.614 -7.899 -9.554 1.00 64.45 C ATOM 669 NZ LYS A 44 19.470 -6.694 -9.375 1.00 10.20 N ATOM 0 H LYS A 44 13.165 -4.989 -10.760 1.00 5.12 H new ATOM 0 HA LYS A 44 15.341 -4.342 -9.046 1.00 35.42 H new ATOM 0 HB2 LYS A 44 14.251 -6.624 -9.560 1.00 42.01 H new ATOM 0 HB3 LYS A 44 15.170 -6.615 -11.052 1.00 42.01 H new ATOM 0 HG2 LYS A 44 16.909 -6.002 -8.805 1.00 11.13 H new ATOM 0 HG3 LYS A 44 16.025 -7.485 -8.500 1.00 11.13 H new ATOM 0 HD2 LYS A 44 16.811 -8.478 -10.567 1.00 33.51 H new ATOM 0 HD3 LYS A 44 17.482 -6.955 -11.115 1.00 33.51 H new ATOM 0 HE2 LYS A 44 18.419 -8.354 -8.583 1.00 64.45 H new ATOM 0 HE3 LYS A 44 19.148 -8.638 -10.151 1.00 64.45 H new ATOM 0 HZ1 LYS A 44 20.470 -6.978 -9.356 1.00 10.20 H new ATOM 0 HZ2 LYS A 44 19.312 -6.036 -10.165 1.00 10.20 H new ATOM 0 HZ3 LYS A 44 19.226 -6.225 -8.479 1.00 10.20 H new ATOM 683 N ASP A 45 15.716 -3.701 -12.162 1.00 64.24 N ATOM 684 CA ASP A 45 16.618 -3.155 -13.170 1.00 2.21 C ATOM 685 C ASP A 45 17.036 -1.732 -12.811 1.00 21.30 C ATOM 686 O ASP A 45 18.188 -1.345 -13.007 1.00 22.21 O ATOM 687 CB ASP A 45 15.950 -3.172 -14.546 1.00 3.32 C ATOM 688 CG ASP A 45 16.840 -3.777 -15.614 1.00 32.43 C ATOM 689 OD1 ASP A 45 17.358 -4.891 -15.392 1.00 20.52 O ATOM 690 OD2 ASP A 45 17.018 -3.137 -16.671 1.00 44.20 O ATOM 0 H ASP A 45 14.730 -3.680 -12.422 1.00 64.24 H new ATOM 0 HA ASP A 45 17.510 -3.780 -13.201 1.00 2.21 H new ATOM 0 HB2 ASP A 45 15.020 -3.738 -14.488 1.00 3.32 H new ATOM 0 HB3 ASP A 45 15.686 -2.154 -14.831 1.00 3.32 H new ATOM 695 N ARG A 46 16.092 -0.958 -12.286 1.00 31.33 N ATOM 696 CA ARG A 46 16.362 0.422 -11.902 1.00 14.02 C ATOM 697 C ARG A 46 16.326 0.581 -10.385 1.00 11.33 C ATOM 698 O ARG A 46 16.365 1.697 -9.868 1.00 0.33 O ATOM 699 CB ARG A 46 15.342 1.362 -12.548 1.00 43.01 C ATOM 700 CG ARG A 46 15.222 1.188 -14.053 1.00 73.32 C ATOM 701 CD ARG A 46 13.980 1.878 -14.596 1.00 64.03 C ATOM 702 NE ARG A 46 14.304 3.126 -15.283 1.00 21.24 N ATOM 703 CZ ARG A 46 13.491 3.721 -16.148 1.00 72.10 C ATOM 704 NH1 ARG A 46 12.312 3.185 -16.431 1.00 75.10 N ATOM 705 NH2 ARG A 46 13.856 4.855 -16.732 1.00 23.10 N ATOM 0 H ARG A 46 15.134 -1.263 -12.117 1.00 31.33 H new ATOM 0 HA ARG A 46 17.360 0.682 -12.254 1.00 14.02 H new ATOM 0 HB2 ARG A 46 14.366 1.194 -12.092 1.00 43.01 H new ATOM 0 HB3 ARG A 46 15.622 2.393 -12.331 1.00 43.01 H new ATOM 0 HG2 ARG A 46 16.108 1.596 -14.539 1.00 73.32 H new ATOM 0 HG3 ARG A 46 15.185 0.126 -14.296 1.00 73.32 H new ATOM 0 HD2 ARG A 46 13.465 1.208 -15.285 1.00 64.03 H new ATOM 0 HD3 ARG A 46 13.292 2.083 -13.776 1.00 64.03 H new ATOM 0 HE ARG A 46 15.204 3.564 -15.087 1.00 21.24 H new ATOM 0 HH11 ARG A 46 12.027 2.313 -15.984 1.00 75.10 H new ATOM 0 HH12 ARG A 46 11.689 3.644 -17.096 1.00 75.10 H new ATOM 0 HH21 ARG A 46 14.762 5.271 -16.517 1.00 23.10 H new ATOM 0 HH22 ARG A 46 13.230 5.311 -17.396 1.00 23.10 H new ATOM 719 N GLN A 47 16.251 -0.542 -9.679 1.00 31.25 N ATOM 720 CA GLN A 47 16.209 -0.527 -8.221 1.00 54.51 C ATOM 721 C GLN A 47 15.455 0.698 -7.712 1.00 31.54 C ATOM 722 O GLN A 47 15.931 1.407 -6.826 1.00 12.11 O ATOM 723 CB GLN A 47 17.627 -0.542 -7.649 1.00 10.35 C ATOM 724 CG GLN A 47 18.549 -1.538 -8.333 1.00 51.32 C ATOM 725 CD GLN A 47 18.803 -2.772 -7.491 1.00 30.31 C ATOM 726 OE1 GLN A 47 19.488 -2.711 -6.470 1.00 11.15 O ATOM 727 NE2 GLN A 47 18.251 -3.903 -7.915 1.00 52.25 N ATOM 0 H GLN A 47 16.218 -1.474 -10.092 1.00 31.25 H new ATOM 0 HA GLN A 47 15.681 -1.421 -7.888 1.00 54.51 H new ATOM 0 HB2 GLN A 47 18.056 0.456 -7.737 1.00 10.35 H new ATOM 0 HB3 GLN A 47 17.578 -0.776 -6.586 1.00 10.35 H new ATOM 0 HG2 GLN A 47 18.112 -1.837 -9.286 1.00 51.32 H new ATOM 0 HG3 GLN A 47 19.499 -1.053 -8.556 1.00 51.32 H new ATOM 0 HE21 GLN A 47 17.690 -3.909 -8.767 1.00 52.25 H new ATOM 0 HE22 GLN A 47 18.388 -4.766 -7.389 1.00 52.25 H new ATOM 736 N MET A 48 14.277 0.939 -8.277 1.00 72.24 N ATOM 737 CA MET A 48 13.457 2.077 -7.879 1.00 40.22 C ATOM 738 C MET A 48 11.978 1.704 -7.866 1.00 20.00 C ATOM 739 O MET A 48 11.517 0.922 -8.698 1.00 43.52 O ATOM 740 CB MET A 48 13.689 3.256 -8.826 1.00 40.22 C ATOM 741 CG MET A 48 12.653 3.359 -9.933 1.00 54.43 C ATOM 742 SD MET A 48 13.313 4.108 -11.435 1.00 53.00 S ATOM 743 CE MET A 48 13.639 5.775 -10.867 1.00 23.00 C ATOM 0 H MET A 48 13.869 0.361 -9.012 1.00 72.24 H new ATOM 0 HA MET A 48 13.749 2.368 -6.870 1.00 40.22 H new ATOM 0 HB2 MET A 48 13.686 4.181 -8.249 1.00 40.22 H new ATOM 0 HB3 MET A 48 14.679 3.163 -9.273 1.00 40.22 H new ATOM 0 HG2 MET A 48 12.274 2.364 -10.164 1.00 54.43 H new ATOM 0 HG3 MET A 48 11.807 3.948 -9.580 1.00 54.43 H new ATOM 0 HE1 MET A 48 13.004 6.475 -11.410 1.00 23.00 H new ATOM 0 HE2 MET A 48 13.426 5.844 -9.800 1.00 23.00 H new ATOM 0 HE3 MET A 48 14.686 6.022 -11.044 1.00 23.00 H new ATOM 753 N VAL A 49 11.238 2.267 -6.916 1.00 4.31 N ATOM 754 CA VAL A 49 9.811 1.994 -6.795 1.00 44.12 C ATOM 755 C VAL A 49 9.016 2.746 -7.857 1.00 22.14 C ATOM 756 O VAL A 49 9.010 3.977 -7.887 1.00 73.43 O ATOM 757 CB VAL A 49 9.282 2.382 -5.402 1.00 34.01 C ATOM 758 CG1 VAL A 49 7.884 1.821 -5.186 1.00 64.54 C ATOM 759 CG2 VAL A 49 10.232 1.899 -4.317 1.00 65.33 C ATOM 0 H VAL A 49 11.604 2.915 -6.219 1.00 4.31 H new ATOM 0 HA VAL A 49 9.680 0.922 -6.939 1.00 44.12 H new ATOM 0 HB VAL A 49 9.225 3.469 -5.345 1.00 34.01 H new ATOM 0 HG11 VAL A 49 7.527 2.105 -4.196 1.00 64.54 H new ATOM 0 HG12 VAL A 49 7.210 2.221 -5.944 1.00 64.54 H new ATOM 0 HG13 VAL A 49 7.912 0.734 -5.263 1.00 64.54 H new ATOM 0 HG21 VAL A 49 9.842 2.182 -3.339 1.00 65.33 H new ATOM 0 HG22 VAL A 49 10.324 0.814 -4.371 1.00 65.33 H new ATOM 0 HG23 VAL A 49 11.212 2.354 -4.462 1.00 65.33 H new ATOM 769 N VAL A 50 8.345 1.997 -8.726 1.00 42.44 N ATOM 770 CA VAL A 50 7.544 2.593 -9.789 1.00 65.34 C ATOM 771 C VAL A 50 6.109 2.081 -9.749 1.00 20.34 C ATOM 772 O VAL A 50 5.862 0.918 -9.425 1.00 53.21 O ATOM 773 CB VAL A 50 8.144 2.296 -11.177 1.00 2.51 C ATOM 774 CG1 VAL A 50 9.527 2.916 -11.304 1.00 45.12 C ATOM 775 CG2 VAL A 50 8.198 0.796 -11.424 1.00 41.53 C ATOM 0 H VAL A 50 8.340 0.977 -8.715 1.00 42.44 H new ATOM 0 HA VAL A 50 7.547 3.670 -9.622 1.00 65.34 H new ATOM 0 HB VAL A 50 7.501 2.743 -11.935 1.00 2.51 H new ATOM 0 HG11 VAL A 50 9.935 2.696 -12.290 1.00 45.12 H new ATOM 0 HG12 VAL A 50 9.455 3.996 -11.174 1.00 45.12 H new ATOM 0 HG13 VAL A 50 10.183 2.501 -10.539 1.00 45.12 H new ATOM 0 HG21 VAL A 50 8.624 0.605 -12.409 1.00 41.53 H new ATOM 0 HG22 VAL A 50 8.818 0.324 -10.662 1.00 41.53 H new ATOM 0 HG23 VAL A 50 7.190 0.383 -11.378 1.00 41.53 H new ATOM 785 N LEU A 51 5.165 2.955 -10.079 1.00 4.41 N ATOM 786 CA LEU A 51 3.752 2.592 -10.081 1.00 4.32 C ATOM 787 C LEU A 51 3.524 1.297 -10.853 1.00 23.43 C ATOM 788 O LEU A 51 4.189 1.035 -11.854 1.00 63.04 O ATOM 789 CB LEU A 51 2.917 3.718 -10.693 1.00 61.12 C ATOM 790 CG LEU A 51 1.401 3.521 -10.663 1.00 40.50 C ATOM 791 CD1 LEU A 51 0.795 4.226 -9.459 1.00 43.53 C ATOM 792 CD2 LEU A 51 0.772 4.028 -11.953 1.00 12.14 C ATOM 0 H LEU A 51 5.352 3.921 -10.349 1.00 4.41 H new ATOM 0 HA LEU A 51 3.440 2.437 -9.048 1.00 4.32 H new ATOM 0 HB2 LEU A 51 3.153 4.644 -10.170 1.00 61.12 H new ATOM 0 HB3 LEU A 51 3.226 3.850 -11.730 1.00 61.12 H new ATOM 0 HG LEU A 51 1.194 2.454 -10.576 1.00 40.50 H new ATOM 0 HD11 LEU A 51 -0.284 4.075 -9.454 1.00 43.53 H new ATOM 0 HD12 LEU A 51 1.223 3.816 -8.544 1.00 43.53 H new ATOM 0 HD13 LEU A 51 1.012 5.293 -9.515 1.00 43.53 H new ATOM 0 HD21 LEU A 51 -0.307 3.880 -11.914 1.00 12.14 H new ATOM 0 HD22 LEU A 51 0.989 5.090 -12.071 1.00 12.14 H new ATOM 0 HD23 LEU A 51 1.184 3.478 -12.799 1.00 12.14 H new ATOM 804 N GLU A 52 2.578 0.491 -10.380 1.00 64.21 N ATOM 805 CA GLU A 52 2.262 -0.777 -11.028 1.00 1.14 C ATOM 806 C GLU A 52 0.834 -0.772 -11.564 1.00 74.31 C ATOM 807 O GLU A 52 0.568 -1.272 -12.657 1.00 62.24 O ATOM 808 CB GLU A 52 2.446 -1.936 -10.046 1.00 62.20 C ATOM 809 CG GLU A 52 2.219 -3.303 -10.669 1.00 71.22 C ATOM 810 CD GLU A 52 3.429 -3.804 -11.434 1.00 32.45 C ATOM 811 OE1 GLU A 52 3.574 -3.438 -12.619 1.00 25.13 O ATOM 812 OE2 GLU A 52 4.229 -4.562 -10.847 1.00 64.55 O ATOM 0 H GLU A 52 2.018 0.693 -9.552 1.00 64.21 H new ATOM 0 HA GLU A 52 2.946 -0.908 -11.866 1.00 1.14 H new ATOM 0 HB2 GLU A 52 3.455 -1.896 -9.635 1.00 62.20 H new ATOM 0 HB3 GLU A 52 1.757 -1.807 -9.212 1.00 62.20 H new ATOM 0 HG2 GLU A 52 1.968 -4.018 -9.886 1.00 71.22 H new ATOM 0 HG3 GLU A 52 1.363 -3.254 -11.342 1.00 71.22 H new ATOM 819 N ASP A 53 -0.082 -0.205 -10.787 1.00 11.13 N ATOM 820 CA ASP A 53 -1.484 -0.134 -11.183 1.00 22.22 C ATOM 821 C ASP A 53 -2.253 0.834 -10.289 1.00 62.21 C ATOM 822 O ASP A 53 -1.791 1.194 -9.207 1.00 43.21 O ATOM 823 CB ASP A 53 -2.124 -1.522 -11.122 1.00 23.12 C ATOM 824 CG ASP A 53 -1.866 -2.334 -12.376 1.00 11.10 C ATOM 825 OD1 ASP A 53 -2.113 -1.811 -13.483 1.00 44.30 O ATOM 826 OD2 ASP A 53 -1.417 -3.492 -12.251 1.00 31.25 O ATOM 0 H ASP A 53 0.121 0.212 -9.879 1.00 11.13 H new ATOM 0 HA ASP A 53 -1.528 0.233 -12.208 1.00 22.22 H new ATOM 0 HB2 ASP A 53 -1.735 -2.060 -10.258 1.00 23.12 H new ATOM 0 HB3 ASP A 53 -3.199 -1.417 -10.975 1.00 23.12 H new ATOM 831 N GLU A 54 -3.428 1.251 -10.750 1.00 44.24 N ATOM 832 CA GLU A 54 -4.259 2.179 -9.993 1.00 11.11 C ATOM 833 C GLU A 54 -5.740 1.912 -10.245 1.00 13.43 C ATOM 834 O GLU A 54 -6.228 2.060 -11.366 1.00 43.42 O ATOM 835 CB GLU A 54 -3.919 3.624 -10.365 1.00 72.22 C ATOM 836 CG GLU A 54 -3.048 4.328 -9.339 1.00 13.24 C ATOM 837 CD GLU A 54 -2.557 5.680 -9.819 1.00 72.02 C ATOM 838 OE1 GLU A 54 -2.006 5.747 -10.938 1.00 20.31 O ATOM 839 OE2 GLU A 54 -2.724 6.670 -9.077 1.00 43.44 O ATOM 0 H GLU A 54 -3.825 0.961 -11.643 1.00 44.24 H new ATOM 0 HA GLU A 54 -4.055 2.027 -8.933 1.00 11.11 H new ATOM 0 HB2 GLU A 54 -3.409 3.632 -11.328 1.00 72.22 H new ATOM 0 HB3 GLU A 54 -4.845 4.186 -10.490 1.00 72.22 H new ATOM 0 HG2 GLU A 54 -3.613 4.458 -8.416 1.00 13.24 H new ATOM 0 HG3 GLU A 54 -2.191 3.698 -9.102 1.00 13.24 H new ATOM 846 N LEU A 55 -6.451 1.518 -9.194 1.00 51.00 N ATOM 847 CA LEU A 55 -7.877 1.230 -9.300 1.00 33.42 C ATOM 848 C LEU A 55 -8.696 2.228 -8.488 1.00 34.22 C ATOM 849 O LEU A 55 -8.311 2.607 -7.382 1.00 62.13 O ATOM 850 CB LEU A 55 -8.167 -0.194 -8.821 1.00 24.01 C ATOM 851 CG LEU A 55 -7.299 -1.296 -9.429 1.00 62.33 C ATOM 852 CD1 LEU A 55 -7.226 -2.495 -8.496 1.00 12.21 C ATOM 853 CD2 LEU A 55 -7.839 -1.710 -10.790 1.00 41.05 C ATOM 0 H LEU A 55 -6.063 1.391 -8.259 1.00 51.00 H new ATOM 0 HA LEU A 55 -8.164 1.320 -10.348 1.00 33.42 H new ATOM 0 HB2 LEU A 55 -8.049 -0.223 -7.738 1.00 24.01 H new ATOM 0 HB3 LEU A 55 -9.211 -0.422 -9.034 1.00 24.01 H new ATOM 0 HG LEU A 55 -6.291 -0.904 -9.563 1.00 62.33 H new ATOM 0 HD11 LEU A 55 -6.604 -3.269 -8.946 1.00 12.21 H new ATOM 0 HD12 LEU A 55 -6.793 -2.189 -7.544 1.00 12.21 H new ATOM 0 HD13 LEU A 55 -8.229 -2.887 -8.329 1.00 12.21 H new ATOM 0 HD21 LEU A 55 -7.209 -2.495 -11.208 1.00 41.05 H new ATOM 0 HD22 LEU A 55 -8.857 -2.082 -10.679 1.00 41.05 H new ATOM 0 HD23 LEU A 55 -7.838 -0.849 -11.459 1.00 41.05 H new ATOM 865 N GLN A 56 -9.829 2.647 -9.044 1.00 5.35 N ATOM 866 CA GLN A 56 -10.702 3.600 -8.370 1.00 15.24 C ATOM 867 C GLN A 56 -12.067 2.981 -8.085 1.00 24.54 C ATOM 868 O GLN A 56 -12.429 1.960 -8.667 1.00 72.35 O ATOM 869 CB GLN A 56 -10.869 4.861 -9.220 1.00 33.13 C ATOM 870 CG GLN A 56 -9.562 5.588 -9.493 1.00 75.42 C ATOM 871 CD GLN A 56 -8.735 4.915 -10.571 1.00 55.44 C ATOM 872 OE1 GLN A 56 -7.602 4.346 -10.179 1.00 51.10 O flip ATOM 873 NE2 GLN A 56 -9.111 4.908 -11.744 1.00 62.34 N flip ATOM 0 H GLN A 56 -10.163 2.342 -9.958 1.00 5.35 H new ATOM 0 HA GLN A 56 -10.239 3.869 -7.420 1.00 15.24 H new ATOM 0 HB2 GLN A 56 -11.330 4.590 -10.170 1.00 33.13 H new ATOM 0 HB3 GLN A 56 -11.555 5.541 -8.715 1.00 33.13 H new ATOM 0 HG2 GLN A 56 -9.777 6.614 -9.792 1.00 75.42 H new ATOM 0 HG3 GLN A 56 -8.980 5.640 -8.573 1.00 75.42 H new ATOM 0 HE21 GLN A 56 -9.990 5.358 -12.001 1.00 62.34 H new ATOM 0 HE22 GLN A 56 -8.544 4.452 -12.459 1.00 62.34 H new ATOM 882 N ASN A 57 -12.818 3.605 -7.184 1.00 13.21 N ATOM 883 CA ASN A 57 -14.143 3.114 -6.821 1.00 4.12 C ATOM 884 C ASN A 57 -14.115 1.609 -6.572 1.00 55.02 C ATOM 885 O ASN A 57 -14.902 0.860 -7.152 1.00 33.23 O ATOM 886 CB ASN A 57 -15.151 3.442 -7.924 1.00 31.03 C ATOM 887 CG ASN A 57 -15.185 4.922 -8.255 1.00 30.51 C ATOM 888 OD1 ASN A 57 -16.043 5.658 -7.769 1.00 13.21 O ATOM 889 ND2 ASN A 57 -14.248 5.363 -9.086 1.00 55.23 N ATOM 0 H ASN A 57 -12.532 4.451 -6.692 1.00 13.21 H new ATOM 0 HA ASN A 57 -14.448 3.611 -5.900 1.00 4.12 H new ATOM 0 HB2 ASN A 57 -14.900 2.877 -8.822 1.00 31.03 H new ATOM 0 HB3 ASN A 57 -16.144 3.119 -7.612 1.00 31.03 H new ATOM 0 HD21 ASN A 57 -14.220 6.349 -9.346 1.00 55.23 H new ATOM 0 HD22 ASN A 57 -13.556 4.716 -9.465 1.00 55.23 H new ATOM 896 N ILE A 58 -13.206 1.174 -5.707 1.00 4.20 N ATOM 897 CA ILE A 58 -13.077 -0.241 -5.381 1.00 13.55 C ATOM 898 C ILE A 58 -13.146 -0.465 -3.874 1.00 23.41 C ATOM 899 O ILE A 58 -12.584 0.305 -3.095 1.00 35.22 O ATOM 900 CB ILE A 58 -11.757 -0.824 -5.916 1.00 24.30 C ATOM 901 CG1 ILE A 58 -11.099 -1.711 -4.856 1.00 42.34 C ATOM 902 CG2 ILE A 58 -10.815 0.294 -6.337 1.00 53.23 C ATOM 903 CD1 ILE A 58 -10.404 -0.930 -3.762 1.00 74.52 C ATOM 0 H ILE A 58 -12.547 1.781 -5.219 1.00 4.20 H new ATOM 0 HA ILE A 58 -13.911 -0.753 -5.861 1.00 13.55 H new ATOM 0 HB ILE A 58 -11.976 -1.436 -6.791 1.00 24.30 H new ATOM 0 HG12 ILE A 58 -11.858 -2.352 -4.408 1.00 42.34 H new ATOM 0 HG13 ILE A 58 -10.375 -2.366 -5.340 1.00 42.34 H new ATOM 0 HG21 ILE A 58 -9.886 -0.135 -6.713 1.00 53.23 H new ATOM 0 HG22 ILE A 58 -11.284 0.889 -7.121 1.00 53.23 H new ATOM 0 HG23 ILE A 58 -10.599 0.931 -5.479 1.00 53.23 H new ATOM 0 HD11 ILE A 58 -9.961 -1.622 -3.046 1.00 74.52 H new ATOM 0 HD12 ILE A 58 -9.622 -0.309 -4.199 1.00 74.52 H new ATOM 0 HD13 ILE A 58 -11.128 -0.295 -3.252 1.00 74.52 H new ATOM 915 N SER A 59 -13.836 -1.527 -3.470 1.00 61.33 N ATOM 916 CA SER A 59 -13.980 -1.853 -2.056 1.00 65.32 C ATOM 917 C SER A 59 -12.754 -2.605 -1.545 1.00 13.11 C ATOM 918 O SER A 59 -11.896 -3.039 -2.313 1.00 25.43 O ATOM 919 CB SER A 59 -15.238 -2.693 -1.830 1.00 72.11 C ATOM 920 OG SER A 59 -16.227 -1.953 -1.136 1.00 54.22 O ATOM 0 H SER A 59 -14.304 -2.176 -4.102 1.00 61.33 H new ATOM 0 HA SER A 59 -14.071 -0.920 -1.500 1.00 65.32 H new ATOM 0 HB2 SER A 59 -15.634 -3.025 -2.789 1.00 72.11 H new ATOM 0 HB3 SER A 59 -14.984 -3.588 -1.263 1.00 72.11 H new ATOM 0 HG SER A 59 -17.022 -2.511 -1.005 1.00 54.22 H new ATOM 926 N PRO A 60 -12.670 -2.762 -0.215 1.00 70.45 N ATOM 927 CA PRO A 60 -11.555 -3.462 0.430 1.00 41.33 C ATOM 928 C PRO A 60 -11.574 -4.961 0.155 1.00 73.52 C ATOM 929 O PRO A 60 -10.702 -5.697 0.616 1.00 13.00 O ATOM 930 CB PRO A 60 -11.779 -3.188 1.919 1.00 22.21 C ATOM 931 CG PRO A 60 -13.242 -2.937 2.042 1.00 31.23 C ATOM 932 CD PRO A 60 -13.657 -2.270 0.760 1.00 33.40 C ATOM 0 HA PRO A 60 -10.589 -3.118 0.060 1.00 41.33 H new ATOM 0 HB2 PRO A 60 -11.470 -4.037 2.529 1.00 22.21 H new ATOM 0 HB3 PRO A 60 -11.200 -2.328 2.255 1.00 22.21 H new ATOM 0 HG2 PRO A 60 -13.787 -3.869 2.191 1.00 31.23 H new ATOM 0 HG3 PRO A 60 -13.458 -2.301 2.900 1.00 31.23 H new ATOM 0 HD2 PRO A 60 -14.673 -2.543 0.476 1.00 33.40 H new ATOM 0 HD3 PRO A 60 -13.631 -1.184 0.845 1.00 33.40 H new ATOM 940 N GLU A 61 -12.574 -5.407 -0.600 1.00 21.43 N ATOM 941 CA GLU A 61 -12.705 -6.820 -0.935 1.00 35.40 C ATOM 942 C GLU A 61 -12.178 -7.098 -2.340 1.00 11.41 C ATOM 943 O GLU A 61 -11.709 -8.197 -2.631 1.00 62.05 O ATOM 944 CB GLU A 61 -14.168 -7.258 -0.832 1.00 11.21 C ATOM 945 CG GLU A 61 -14.485 -8.028 0.439 1.00 62.31 C ATOM 946 CD GLU A 61 -15.872 -8.640 0.420 1.00 70.44 C ATOM 947 OE1 GLU A 61 -16.741 -8.115 -0.307 1.00 74.44 O ATOM 948 OE2 GLU A 61 -16.088 -9.644 1.131 1.00 54.41 O ATOM 0 H GLU A 61 -13.304 -4.811 -0.990 1.00 21.43 H new ATOM 0 HA GLU A 61 -12.110 -7.392 -0.223 1.00 35.40 H new ATOM 0 HB2 GLU A 61 -14.807 -6.376 -0.881 1.00 11.21 H new ATOM 0 HB3 GLU A 61 -14.414 -7.879 -1.694 1.00 11.21 H new ATOM 0 HG2 GLU A 61 -13.746 -8.817 0.575 1.00 62.31 H new ATOM 0 HG3 GLU A 61 -14.399 -7.359 1.295 1.00 62.31 H new ATOM 955 N GLU A 62 -12.260 -6.092 -3.206 1.00 32.04 N ATOM 956 CA GLU A 62 -11.793 -6.228 -4.580 1.00 64.20 C ATOM 957 C GLU A 62 -10.272 -6.117 -4.651 1.00 73.31 C ATOM 958 O GLU A 62 -9.613 -6.898 -5.339 1.00 21.02 O ATOM 959 CB GLU A 62 -12.435 -5.161 -5.469 1.00 2.13 C ATOM 960 CG GLU A 62 -13.052 -5.719 -6.740 1.00 54.51 C ATOM 961 CD GLU A 62 -12.199 -5.458 -7.966 1.00 62.11 C ATOM 962 OE1 GLU A 62 -10.987 -5.756 -7.919 1.00 22.15 O ATOM 963 OE2 GLU A 62 -12.742 -4.957 -8.972 1.00 40.43 O ATOM 0 H GLU A 62 -12.645 -5.175 -2.980 1.00 32.04 H new ATOM 0 HA GLU A 62 -12.086 -7.214 -4.940 1.00 64.20 H new ATOM 0 HB2 GLU A 62 -13.205 -4.641 -4.899 1.00 2.13 H new ATOM 0 HB3 GLU A 62 -11.681 -4.421 -5.736 1.00 2.13 H new ATOM 0 HG2 GLU A 62 -13.199 -6.793 -6.627 1.00 54.51 H new ATOM 0 HG3 GLU A 62 -14.037 -5.276 -6.886 1.00 54.51 H new ATOM 970 N LEU A 63 -9.722 -5.142 -3.936 1.00 73.03 N ATOM 971 CA LEU A 63 -8.279 -4.927 -3.918 1.00 35.34 C ATOM 972 C LEU A 63 -7.539 -6.230 -3.633 1.00 63.02 C ATOM 973 O LEU A 63 -6.576 -6.573 -4.320 1.00 51.52 O ATOM 974 CB LEU A 63 -7.914 -3.879 -2.865 1.00 64.14 C ATOM 975 CG LEU A 63 -6.956 -2.777 -3.320 1.00 54.14 C ATOM 976 CD1 LEU A 63 -6.236 -2.169 -2.127 1.00 31.11 C ATOM 977 CD2 LEU A 63 -5.956 -3.322 -4.329 1.00 25.54 C ATOM 0 H LEU A 63 -10.253 -4.488 -3.361 1.00 73.03 H new ATOM 0 HA LEU A 63 -7.977 -4.566 -4.901 1.00 35.34 H new ATOM 0 HB2 LEU A 63 -8.833 -3.411 -2.513 1.00 64.14 H new ATOM 0 HB3 LEU A 63 -7.469 -4.390 -2.011 1.00 64.14 H new ATOM 0 HG LEU A 63 -7.539 -1.993 -3.804 1.00 54.14 H new ATOM 0 HD11 LEU A 63 -5.559 -1.387 -2.471 1.00 31.11 H new ATOM 0 HD12 LEU A 63 -6.967 -1.741 -1.441 1.00 31.11 H new ATOM 0 HD13 LEU A 63 -5.666 -2.943 -1.613 1.00 31.11 H new ATOM 0 HD21 LEU A 63 -5.283 -2.524 -4.641 1.00 25.54 H new ATOM 0 HD22 LEU A 63 -5.379 -4.126 -3.872 1.00 25.54 H new ATOM 0 HD23 LEU A 63 -6.489 -3.708 -5.198 1.00 25.54 H new ATOM 989 N LYS A 64 -7.995 -6.954 -2.617 1.00 71.41 N ATOM 990 CA LYS A 64 -7.379 -8.222 -2.243 1.00 11.23 C ATOM 991 C LYS A 64 -7.352 -9.184 -3.426 1.00 33.21 C ATOM 992 O LYS A 64 -6.426 -9.983 -3.568 1.00 62.34 O ATOM 993 CB LYS A 64 -8.137 -8.855 -1.074 1.00 22.04 C ATOM 994 CG LYS A 64 -8.509 -10.309 -1.306 1.00 54.04 C ATOM 995 CD LYS A 64 -8.844 -11.015 -0.003 1.00 4.41 C ATOM 996 CE LYS A 64 -10.294 -11.472 0.027 1.00 0.24 C ATOM 997 NZ LYS A 64 -10.809 -11.591 1.420 1.00 40.14 N ATOM 0 H LYS A 64 -8.790 -6.684 -2.037 1.00 71.41 H new ATOM 0 HA LYS A 64 -6.352 -8.022 -1.937 1.00 11.23 H new ATOM 0 HB2 LYS A 64 -7.525 -8.784 -0.175 1.00 22.04 H new ATOM 0 HB3 LYS A 64 -9.045 -8.282 -0.888 1.00 22.04 H new ATOM 0 HG2 LYS A 64 -9.364 -10.363 -1.980 1.00 54.04 H new ATOM 0 HG3 LYS A 64 -7.683 -10.823 -1.797 1.00 54.04 H new ATOM 0 HD2 LYS A 64 -8.188 -11.876 0.125 1.00 4.41 H new ATOM 0 HD3 LYS A 64 -8.656 -10.343 0.835 1.00 4.41 H new ATOM 0 HE2 LYS A 64 -10.909 -10.764 -0.529 1.00 0.24 H new ATOM 0 HE3 LYS A 64 -10.382 -12.435 -0.476 1.00 0.24 H new ATOM 0 HZ1 LYS A 64 -11.800 -11.905 1.398 1.00 40.14 H new ATOM 0 HZ2 LYS A 64 -10.238 -12.285 1.943 1.00 40.14 H new ATOM 0 HZ3 LYS A 64 -10.749 -10.666 1.892 1.00 40.14 H new ATOM 1011 N LEU A 65 -8.373 -9.102 -4.273 1.00 4.24 N ATOM 1012 CA LEU A 65 -8.465 -9.965 -5.445 1.00 52.22 C ATOM 1013 C LEU A 65 -7.487 -9.519 -6.528 1.00 33.43 C ATOM 1014 O LEU A 65 -6.945 -10.343 -7.264 1.00 10.12 O ATOM 1015 CB LEU A 65 -9.892 -9.958 -5.997 1.00 10.44 C ATOM 1016 CG LEU A 65 -10.869 -10.935 -5.343 1.00 33.05 C ATOM 1017 CD1 LEU A 65 -10.226 -12.303 -5.177 1.00 5.24 C ATOM 1018 CD2 LEU A 65 -11.341 -10.399 -3.999 1.00 4.24 C ATOM 0 H LEU A 65 -9.148 -8.447 -4.170 1.00 4.24 H new ATOM 0 HA LEU A 65 -8.204 -10.979 -5.141 1.00 52.22 H new ATOM 0 HB2 LEU A 65 -10.295 -8.950 -5.895 1.00 10.44 H new ATOM 0 HB3 LEU A 65 -9.849 -10.178 -7.064 1.00 10.44 H new ATOM 0 HG LEU A 65 -11.737 -11.041 -5.994 1.00 33.05 H new ATOM 0 HD11 LEU A 65 -10.937 -12.985 -4.710 1.00 5.24 H new ATOM 0 HD12 LEU A 65 -9.939 -12.691 -6.154 1.00 5.24 H new ATOM 0 HD13 LEU A 65 -9.340 -12.215 -4.548 1.00 5.24 H new ATOM 0 HD21 LEU A 65 -12.036 -11.108 -3.548 1.00 4.24 H new ATOM 0 HD22 LEU A 65 -10.483 -10.263 -3.340 1.00 4.24 H new ATOM 0 HD23 LEU A 65 -11.842 -9.442 -4.145 1.00 4.24 H new ATOM 1030 N GLU A 66 -7.266 -8.212 -6.616 1.00 42.43 N ATOM 1031 CA GLU A 66 -6.352 -7.658 -7.608 1.00 44.23 C ATOM 1032 C GLU A 66 -4.904 -7.995 -7.262 1.00 51.21 C ATOM 1033 O GLU A 66 -4.060 -8.140 -8.147 1.00 43.12 O ATOM 1034 CB GLU A 66 -6.525 -6.141 -7.703 1.00 41.51 C ATOM 1035 CG GLU A 66 -7.937 -5.710 -8.064 1.00 21.52 C ATOM 1036 CD GLU A 66 -8.236 -5.871 -9.542 1.00 1.32 C ATOM 1037 OE1 GLU A 66 -8.116 -7.005 -10.051 1.00 51.21 O ATOM 1038 OE2 GLU A 66 -8.589 -4.863 -10.189 1.00 11.12 O ATOM 0 H GLU A 66 -7.707 -7.517 -6.013 1.00 42.43 H new ATOM 0 HA GLU A 66 -6.590 -8.105 -8.573 1.00 44.23 H new ATOM 0 HB2 GLU A 66 -6.250 -5.692 -6.749 1.00 41.51 H new ATOM 0 HB3 GLU A 66 -5.833 -5.751 -8.450 1.00 41.51 H new ATOM 0 HG2 GLU A 66 -8.651 -6.297 -7.487 1.00 21.52 H new ATOM 0 HG3 GLU A 66 -8.078 -4.667 -7.780 1.00 21.52 H new ATOM 1045 N LEU A 67 -4.624 -8.117 -5.969 1.00 75.33 N ATOM 1046 CA LEU A 67 -3.279 -8.437 -5.504 1.00 51.34 C ATOM 1047 C LEU A 67 -2.908 -9.874 -5.857 1.00 0.40 C ATOM 1048 O LEU A 67 -3.767 -10.740 -6.024 1.00 11.52 O ATOM 1049 CB LEU A 67 -3.178 -8.228 -3.992 1.00 63.04 C ATOM 1050 CG LEU A 67 -3.243 -6.779 -3.509 1.00 52.20 C ATOM 1051 CD1 LEU A 67 -3.417 -6.727 -1.999 1.00 73.21 C ATOM 1052 CD2 LEU A 67 -1.994 -6.019 -3.930 1.00 25.31 C ATOM 0 H LEU A 67 -5.311 -7.999 -5.224 1.00 75.33 H new ATOM 0 HA LEU A 67 -2.579 -7.768 -6.004 1.00 51.34 H new ATOM 0 HB2 LEU A 67 -3.983 -8.786 -3.514 1.00 63.04 H new ATOM 0 HB3 LEU A 67 -2.240 -8.663 -3.647 1.00 63.04 H new ATOM 0 HG LEU A 67 -4.107 -6.301 -3.971 1.00 52.20 H new ATOM 0 HD11 LEU A 67 -3.461 -5.688 -1.673 1.00 73.21 H new ATOM 0 HD12 LEU A 67 -4.341 -7.234 -1.722 1.00 73.21 H new ATOM 0 HD13 LEU A 67 -2.573 -7.222 -1.518 1.00 73.21 H new ATOM 0 HD21 LEU A 67 -2.058 -4.990 -3.577 1.00 25.31 H new ATOM 0 HD22 LEU A 67 -1.115 -6.496 -3.498 1.00 25.31 H new ATOM 0 HD23 LEU A 67 -1.913 -6.026 -5.017 1.00 25.31 H new ATOM 1064 N PRO A 68 -1.597 -10.135 -5.971 1.00 74.53 N ATOM 1065 CA PRO A 68 -1.082 -11.467 -6.302 1.00 73.41 C ATOM 1066 C PRO A 68 -1.282 -12.465 -5.166 1.00 54.13 C ATOM 1067 O PRO A 68 -2.046 -12.213 -4.235 1.00 73.11 O ATOM 1068 CB PRO A 68 0.410 -11.221 -6.541 1.00 75.41 C ATOM 1069 CG PRO A 68 0.724 -9.999 -5.749 1.00 33.51 C ATOM 1070 CD PRO A 68 -0.518 -9.152 -5.786 1.00 4.41 C ATOM 0 HA PRO A 68 -1.599 -11.903 -7.157 1.00 73.41 H new ATOM 0 HB2 PRO A 68 1.009 -12.070 -6.212 1.00 75.41 H new ATOM 0 HB3 PRO A 68 0.622 -11.072 -7.600 1.00 75.41 H new ATOM 0 HG2 PRO A 68 0.991 -10.256 -4.724 1.00 33.51 H new ATOM 0 HG3 PRO A 68 1.573 -9.465 -6.175 1.00 33.51 H new ATOM 0 HD2 PRO A 68 -0.645 -8.585 -4.864 1.00 4.41 H new ATOM 0 HD3 PRO A 68 -0.488 -8.430 -6.602 1.00 4.41 H new ATOM 1078 N GLU A 69 -0.591 -13.597 -5.250 1.00 63.12 N ATOM 1079 CA GLU A 69 -0.694 -14.632 -4.228 1.00 71.13 C ATOM 1080 C GLU A 69 0.681 -14.979 -3.664 1.00 13.41 C ATOM 1081 O GLU A 69 0.791 -15.596 -2.605 1.00 31.43 O ATOM 1082 CB GLU A 69 -1.351 -15.887 -4.807 1.00 31.24 C ATOM 1083 CG GLU A 69 -0.700 -16.379 -6.088 1.00 72.52 C ATOM 1084 CD GLU A 69 -0.168 -17.794 -5.966 1.00 62.01 C ATOM 1085 OE1 GLU A 69 0.064 -18.243 -4.824 1.00 60.41 O ATOM 1086 OE2 GLU A 69 0.017 -18.451 -7.011 1.00 64.35 O ATOM 0 H GLU A 69 0.046 -13.821 -6.015 1.00 63.12 H new ATOM 0 HA GLU A 69 -1.313 -14.247 -3.418 1.00 71.13 H new ATOM 0 HB2 GLU A 69 -1.315 -16.682 -4.062 1.00 31.24 H new ATOM 0 HB3 GLU A 69 -2.403 -15.679 -5.001 1.00 31.24 H new ATOM 0 HG2 GLU A 69 -1.426 -16.337 -6.900 1.00 72.52 H new ATOM 0 HG3 GLU A 69 0.117 -15.709 -6.356 1.00 72.52 H new ATOM 1093 N ARG A 70 1.726 -14.577 -4.379 1.00 40.44 N ATOM 1094 CA ARG A 70 3.094 -14.846 -3.952 1.00 14.42 C ATOM 1095 C ARG A 70 4.059 -13.823 -4.544 1.00 24.41 C ATOM 1096 O ARG A 70 5.139 -14.178 -5.017 1.00 0.53 O ATOM 1097 CB ARG A 70 3.512 -16.258 -4.366 1.00 13.30 C ATOM 1098 CG ARG A 70 3.050 -16.645 -5.761 1.00 75.12 C ATOM 1099 CD ARG A 70 4.042 -16.195 -6.822 1.00 11.12 C ATOM 1100 NE ARG A 70 4.173 -17.173 -7.899 1.00 2.33 N ATOM 1101 CZ ARG A 70 4.586 -18.421 -7.711 1.00 62.24 C ATOM 1102 NH1 ARG A 70 4.906 -18.842 -6.495 1.00 51.14 N ATOM 1103 NH2 ARG A 70 4.680 -19.252 -8.742 1.00 35.02 N ATOM 0 H ARG A 70 1.652 -14.064 -5.257 1.00 40.44 H new ATOM 0 HA ARG A 70 3.131 -14.768 -2.865 1.00 14.42 H new ATOM 0 HB2 ARG A 70 4.598 -16.335 -4.318 1.00 13.30 H new ATOM 0 HB3 ARG A 70 3.109 -16.972 -3.648 1.00 13.30 H new ATOM 0 HG2 ARG A 70 2.922 -17.726 -5.816 1.00 75.12 H new ATOM 0 HG3 ARG A 70 2.076 -16.198 -5.960 1.00 75.12 H new ATOM 0 HD2 ARG A 70 3.720 -15.240 -7.237 1.00 11.12 H new ATOM 0 HD3 ARG A 70 5.016 -16.031 -6.361 1.00 11.12 H new ATOM 0 HE ARG A 70 3.934 -16.882 -8.847 1.00 2.33 H new ATOM 0 HH11 ARG A 70 4.835 -18.207 -5.700 1.00 51.14 H new ATOM 0 HH12 ARG A 70 5.223 -19.801 -6.354 1.00 51.14 H new ATOM 0 HH21 ARG A 70 4.435 -18.932 -9.679 1.00 35.02 H new ATOM 0 HH22 ARG A 70 4.997 -20.211 -8.597 1.00 35.02 H new ATOM 1117 N GLN A 71 3.662 -12.555 -4.514 1.00 63.42 N ATOM 1118 CA GLN A 71 4.493 -11.483 -5.049 1.00 55.32 C ATOM 1119 C GLN A 71 4.368 -10.222 -4.200 1.00 35.34 C ATOM 1120 O GLN A 71 3.302 -9.613 -4.102 1.00 42.14 O ATOM 1121 CB GLN A 71 4.099 -11.178 -6.496 1.00 24.02 C ATOM 1122 CG GLN A 71 4.519 -9.793 -6.961 1.00 72.04 C ATOM 1123 CD GLN A 71 4.757 -9.727 -8.457 1.00 75.31 C ATOM 1124 OE1 GLN A 71 3.968 -10.479 -9.216 1.00 53.20 O flip ATOM 1125 NE2 GLN A 71 5.640 -9.009 -8.926 1.00 34.22 N flip ATOM 0 H GLN A 71 2.771 -12.245 -4.125 1.00 63.42 H new ATOM 0 HA GLN A 71 5.531 -11.815 -5.024 1.00 55.32 H new ATOM 0 HB2 GLN A 71 4.548 -11.924 -7.151 1.00 24.02 H new ATOM 0 HB3 GLN A 71 3.018 -11.274 -6.598 1.00 24.02 H new ATOM 0 HG2 GLN A 71 3.748 -9.073 -6.687 1.00 72.04 H new ATOM 0 HG3 GLN A 71 5.429 -9.499 -6.439 1.00 72.04 H new ATOM 0 HE21 GLN A 71 6.224 -8.447 -8.306 1.00 34.22 H new ATOM 0 HE22 GLN A 71 5.788 -8.976 -9.935 1.00 34.22 H new ATOM 1134 N PRO A 72 5.481 -9.821 -3.569 1.00 11.44 N ATOM 1135 CA PRO A 72 5.521 -8.629 -2.716 1.00 4.11 C ATOM 1136 C PRO A 72 5.392 -7.338 -3.517 1.00 63.04 C ATOM 1137 O PRO A 72 6.000 -7.192 -4.578 1.00 53.42 O ATOM 1138 CB PRO A 72 6.899 -8.712 -2.055 1.00 25.41 C ATOM 1139 CG PRO A 72 7.726 -9.513 -3.001 1.00 73.22 C ATOM 1140 CD PRO A 72 6.786 -10.499 -3.639 1.00 42.44 C ATOM 0 HA PRO A 72 4.693 -8.608 -2.007 1.00 4.11 H new ATOM 0 HB2 PRO A 72 7.324 -7.720 -1.900 1.00 25.41 H new ATOM 0 HB3 PRO A 72 6.841 -9.190 -1.077 1.00 25.41 H new ATOM 0 HG2 PRO A 72 8.190 -8.873 -3.752 1.00 73.22 H new ATOM 0 HG3 PRO A 72 8.533 -10.026 -2.477 1.00 73.22 H new ATOM 0 HD2 PRO A 72 7.071 -10.717 -4.668 1.00 42.44 H new ATOM 0 HD3 PRO A 72 6.775 -11.448 -3.103 1.00 42.44 H new ATOM 1148 N ARG A 73 4.598 -6.405 -3.003 1.00 42.32 N ATOM 1149 CA ARG A 73 4.389 -5.126 -3.672 1.00 23.10 C ATOM 1150 C ARG A 73 3.731 -4.121 -2.731 1.00 24.32 C ATOM 1151 O ARG A 73 3.244 -4.485 -1.660 1.00 54.33 O ATOM 1152 CB ARG A 73 3.524 -5.314 -4.920 1.00 23.33 C ATOM 1153 CG ARG A 73 2.202 -6.011 -4.644 1.00 54.44 C ATOM 1154 CD ARG A 73 1.326 -6.054 -5.887 1.00 14.33 C ATOM 1155 NE ARG A 73 1.715 -7.130 -6.794 1.00 1.21 N ATOM 1156 CZ ARG A 73 1.144 -7.338 -7.975 1.00 34.52 C ATOM 1157 NH1 ARG A 73 0.163 -6.548 -8.389 1.00 72.41 N ATOM 1158 NH2 ARG A 73 1.553 -8.339 -8.744 1.00 45.11 N ATOM 0 H ARG A 73 4.089 -6.510 -2.126 1.00 42.32 H new ATOM 0 HA ARG A 73 5.363 -4.737 -3.968 1.00 23.10 H new ATOM 0 HB2 ARG A 73 3.325 -4.339 -5.364 1.00 23.33 H new ATOM 0 HB3 ARG A 73 4.083 -5.892 -5.656 1.00 23.33 H new ATOM 0 HG2 ARG A 73 2.390 -7.026 -4.295 1.00 54.44 H new ATOM 0 HG3 ARG A 73 1.675 -5.491 -3.844 1.00 54.44 H new ATOM 0 HD2 ARG A 73 0.285 -6.187 -5.592 1.00 14.33 H new ATOM 0 HD3 ARG A 73 1.390 -5.099 -6.409 1.00 14.33 H new ATOM 0 HE ARG A 73 2.466 -7.756 -6.505 1.00 1.21 H new ATOM 0 HH11 ARG A 73 -0.155 -5.778 -7.800 1.00 72.41 H new ATOM 0 HH12 ARG A 73 -0.274 -6.710 -9.296 1.00 72.41 H new ATOM 0 HH21 ARG A 73 2.307 -8.950 -8.428 1.00 45.11 H new ATOM 0 HH22 ARG A 73 1.114 -8.498 -9.651 1.00 45.11 H new ATOM 1172 N PHE A 74 3.722 -2.856 -3.137 1.00 64.10 N ATOM 1173 CA PHE A 74 3.126 -1.798 -2.330 1.00 20.23 C ATOM 1174 C PHE A 74 1.693 -1.519 -2.772 1.00 53.31 C ATOM 1175 O PHE A 74 1.365 -1.618 -3.955 1.00 24.33 O ATOM 1176 CB PHE A 74 3.961 -0.520 -2.429 1.00 12.30 C ATOM 1177 CG PHE A 74 5.401 -0.713 -2.047 1.00 15.41 C ATOM 1178 CD1 PHE A 74 5.738 -1.266 -0.822 1.00 52.01 C ATOM 1179 CD2 PHE A 74 6.417 -0.341 -2.913 1.00 34.34 C ATOM 1180 CE1 PHE A 74 7.062 -1.444 -0.468 1.00 12.21 C ATOM 1181 CE2 PHE A 74 7.743 -0.517 -2.564 1.00 35.11 C ATOM 1182 CZ PHE A 74 8.065 -1.070 -1.340 1.00 63.13 C ATOM 0 H PHE A 74 4.121 -2.538 -4.020 1.00 64.10 H new ATOM 0 HA PHE A 74 3.109 -2.132 -1.293 1.00 20.23 H new ATOM 0 HB2 PHE A 74 3.912 -0.142 -3.450 1.00 12.30 H new ATOM 0 HB3 PHE A 74 3.522 0.242 -1.785 1.00 12.30 H new ATOM 0 HD1 PHE A 74 4.957 -1.561 -0.136 1.00 52.01 H new ATOM 0 HD2 PHE A 74 6.170 0.091 -3.871 1.00 34.34 H new ATOM 0 HE1 PHE A 74 7.312 -1.875 0.490 1.00 12.21 H new ATOM 0 HE2 PHE A 74 8.526 -0.223 -3.247 1.00 35.11 H new ATOM 0 HZ PHE A 74 9.100 -1.210 -1.065 1.00 63.13 H new ATOM 1192 N VAL A 75 0.841 -1.169 -1.813 1.00 42.22 N ATOM 1193 CA VAL A 75 -0.557 -0.874 -2.102 1.00 71.25 C ATOM 1194 C VAL A 75 -1.093 0.211 -1.175 1.00 74.43 C ATOM 1195 O VAL A 75 -1.058 0.071 0.047 1.00 23.03 O ATOM 1196 CB VAL A 75 -1.436 -2.132 -1.965 1.00 44.13 C ATOM 1197 CG1 VAL A 75 -2.865 -1.834 -2.392 1.00 31.05 C ATOM 1198 CG2 VAL A 75 -0.855 -3.278 -2.780 1.00 74.10 C ATOM 0 H VAL A 75 1.095 -1.083 -0.829 1.00 42.22 H new ATOM 0 HA VAL A 75 -0.599 -0.521 -3.132 1.00 71.25 H new ATOM 0 HB VAL A 75 -1.451 -2.432 -0.917 1.00 44.13 H new ATOM 0 HG11 VAL A 75 -3.471 -2.734 -2.288 1.00 31.05 H new ATOM 0 HG12 VAL A 75 -3.276 -1.045 -1.762 1.00 31.05 H new ATOM 0 HG13 VAL A 75 -2.874 -1.509 -3.432 1.00 31.05 H new ATOM 0 HG21 VAL A 75 -1.488 -4.159 -2.672 1.00 74.10 H new ATOM 0 HG22 VAL A 75 -0.809 -2.991 -3.830 1.00 74.10 H new ATOM 0 HG23 VAL A 75 0.149 -3.507 -2.422 1.00 74.10 H new ATOM 1208 N VAL A 76 -1.591 1.293 -1.765 1.00 73.33 N ATOM 1209 CA VAL A 76 -2.137 2.402 -0.993 1.00 13.05 C ATOM 1210 C VAL A 76 -3.650 2.493 -1.155 1.00 34.30 C ATOM 1211 O VAL A 76 -4.148 3.051 -2.133 1.00 61.33 O ATOM 1212 CB VAL A 76 -1.506 3.743 -1.412 1.00 23.31 C ATOM 1213 CG1 VAL A 76 -2.295 4.908 -0.836 1.00 54.44 C ATOM 1214 CG2 VAL A 76 -0.050 3.806 -0.974 1.00 34.25 C ATOM 0 H VAL A 76 -1.627 1.425 -2.776 1.00 73.33 H new ATOM 0 HA VAL A 76 -1.897 2.207 0.052 1.00 13.05 H new ATOM 0 HB VAL A 76 -1.539 3.816 -2.499 1.00 23.31 H new ATOM 0 HG11 VAL A 76 -1.834 5.847 -1.143 1.00 54.44 H new ATOM 0 HG12 VAL A 76 -3.320 4.870 -1.204 1.00 54.44 H new ATOM 0 HG13 VAL A 76 -2.297 4.843 0.252 1.00 54.44 H new ATOM 0 HG21 VAL A 76 0.380 4.760 -1.278 1.00 34.25 H new ATOM 0 HG22 VAL A 76 0.008 3.711 0.110 1.00 34.25 H new ATOM 0 HG23 VAL A 76 0.506 2.992 -1.440 1.00 34.25 H new ATOM 1224 N TYR A 77 -4.377 1.941 -0.190 1.00 14.22 N ATOM 1225 CA TYR A 77 -5.835 1.958 -0.226 1.00 61.12 C ATOM 1226 C TYR A 77 -6.385 3.165 0.527 1.00 21.05 C ATOM 1227 O TYR A 77 -5.902 3.511 1.605 1.00 23.24 O ATOM 1228 CB TYR A 77 -6.396 0.668 0.375 1.00 1.22 C ATOM 1229 CG TYR A 77 -7.894 0.531 0.223 1.00 21.41 C ATOM 1230 CD1 TYR A 77 -8.515 0.785 -0.993 1.00 41.14 C ATOM 1231 CD2 TYR A 77 -8.688 0.145 1.296 1.00 12.01 C ATOM 1232 CE1 TYR A 77 -9.883 0.661 -1.136 1.00 53.44 C ATOM 1233 CE2 TYR A 77 -10.057 0.017 1.162 1.00 52.32 C ATOM 1234 CZ TYR A 77 -10.650 0.277 -0.056 1.00 51.12 C ATOM 1235 OH TYR A 77 -12.013 0.151 -0.195 1.00 53.30 O ATOM 0 H TYR A 77 -3.981 1.476 0.627 1.00 14.22 H new ATOM 0 HA TYR A 77 -6.146 2.031 -1.268 1.00 61.12 H new ATOM 0 HB2 TYR A 77 -5.911 -0.185 -0.100 1.00 1.22 H new ATOM 0 HB3 TYR A 77 -6.142 0.630 1.434 1.00 1.22 H new ATOM 0 HD1 TYR A 77 -7.918 1.085 -1.841 1.00 41.14 H new ATOM 0 HD2 TYR A 77 -8.227 -0.058 2.251 1.00 12.01 H new ATOM 0 HE1 TYR A 77 -10.350 0.864 -2.089 1.00 53.44 H new ATOM 0 HE2 TYR A 77 -10.659 -0.285 2.006 1.00 52.32 H new ATOM 0 HH TYR A 77 -12.251 0.196 -1.145 1.00 53.30 H new ATOM 1245 N SER A 78 -7.400 3.802 -0.048 1.00 63.33 N ATOM 1246 CA SER A 78 -8.015 4.972 0.566 1.00 0.40 C ATOM 1247 C SER A 78 -9.480 4.705 0.897 1.00 11.22 C ATOM 1248 O SER A 78 -10.353 4.818 0.037 1.00 54.53 O ATOM 1249 CB SER A 78 -7.903 6.181 -0.365 1.00 11.31 C ATOM 1250 OG SER A 78 -8.420 7.348 0.251 1.00 44.54 O ATOM 0 H SER A 78 -7.814 3.527 -0.939 1.00 63.33 H new ATOM 0 HA SER A 78 -7.484 5.186 1.494 1.00 0.40 H new ATOM 0 HB2 SER A 78 -6.859 6.341 -0.635 1.00 11.31 H new ATOM 0 HB3 SER A 78 -8.445 5.983 -1.290 1.00 11.31 H new ATOM 0 HG SER A 78 -8.336 8.107 -0.363 1.00 44.54 H new ATOM 1256 N TYR A 79 -9.741 4.350 2.150 1.00 33.12 N ATOM 1257 CA TYR A 79 -11.100 4.064 2.596 1.00 23.22 C ATOM 1258 C TYR A 79 -11.825 5.347 2.991 1.00 71.42 C ATOM 1259 O TYR A 79 -11.205 6.394 3.173 1.00 42.41 O ATOM 1260 CB TYR A 79 -11.077 3.093 3.778 1.00 10.22 C ATOM 1261 CG TYR A 79 -12.445 2.816 4.361 1.00 44.53 C ATOM 1262 CD1 TYR A 79 -12.971 3.622 5.363 1.00 42.12 C ATOM 1263 CD2 TYR A 79 -13.211 1.749 3.908 1.00 40.40 C ATOM 1264 CE1 TYR A 79 -14.219 3.372 5.898 1.00 14.33 C ATOM 1265 CE2 TYR A 79 -14.461 1.493 4.437 1.00 73.04 C ATOM 1266 CZ TYR A 79 -14.961 2.307 5.432 1.00 61.12 C ATOM 1267 OH TYR A 79 -16.206 2.056 5.962 1.00 62.43 O ATOM 0 H TYR A 79 -9.030 4.253 2.875 1.00 33.12 H new ATOM 0 HA TYR A 79 -11.639 3.605 1.767 1.00 23.22 H new ATOM 0 HB2 TYR A 79 -10.631 2.152 3.456 1.00 10.22 H new ATOM 0 HB3 TYR A 79 -10.434 3.499 4.559 1.00 10.22 H new ATOM 0 HD1 TYR A 79 -12.394 4.458 5.730 1.00 42.12 H new ATOM 0 HD2 TYR A 79 -12.823 1.109 3.129 1.00 40.40 H new ATOM 0 HE1 TYR A 79 -14.612 4.007 6.678 1.00 14.33 H new ATOM 0 HE2 TYR A 79 -15.044 0.660 4.073 1.00 73.04 H new ATOM 0 HH TYR A 79 -16.692 1.438 5.377 1.00 62.43 H new ATOM 1277 N LYS A 80 -13.144 5.256 3.122 1.00 32.00 N ATOM 1278 CA LYS A 80 -13.957 6.407 3.497 1.00 71.11 C ATOM 1279 C LYS A 80 -14.689 6.151 4.811 1.00 44.51 C ATOM 1280 O LYS A 80 -15.628 5.358 4.865 1.00 34.12 O ATOM 1281 CB LYS A 80 -14.967 6.725 2.392 1.00 12.42 C ATOM 1282 CG LYS A 80 -16.045 7.707 2.818 1.00 10.22 C ATOM 1283 CD LYS A 80 -17.181 7.759 1.811 1.00 53.42 C ATOM 1284 CE LYS A 80 -18.530 7.900 2.499 1.00 34.11 C ATOM 1285 NZ LYS A 80 -19.540 6.961 1.937 1.00 33.21 N ATOM 0 H LYS A 80 -13.673 4.397 2.974 1.00 32.00 H new ATOM 0 HA LYS A 80 -13.293 7.261 3.631 1.00 71.11 H new ATOM 0 HB2 LYS A 80 -14.436 7.132 1.532 1.00 12.42 H new ATOM 0 HB3 LYS A 80 -15.440 5.799 2.066 1.00 12.42 H new ATOM 0 HG2 LYS A 80 -16.436 7.419 3.794 1.00 10.22 H new ATOM 0 HG3 LYS A 80 -15.610 8.700 2.929 1.00 10.22 H new ATOM 0 HD2 LYS A 80 -17.028 8.598 1.132 1.00 53.42 H new ATOM 0 HD3 LYS A 80 -17.173 6.853 1.205 1.00 53.42 H new ATOM 0 HE2 LYS A 80 -18.415 7.713 3.567 1.00 34.11 H new ATOM 0 HE3 LYS A 80 -18.887 8.924 2.392 1.00 34.11 H new ATOM 0 HZ1 LYS A 80 -20.446 7.088 2.432 1.00 33.21 H new ATOM 0 HZ2 LYS A 80 -19.669 7.156 0.924 1.00 33.21 H new ATOM 0 HZ3 LYS A 80 -19.211 5.982 2.062 1.00 33.21 H new ATOM 1299 N TYR A 81 -14.253 6.829 5.867 1.00 44.43 N ATOM 1300 CA TYR A 81 -14.866 6.675 7.181 1.00 64.14 C ATOM 1301 C TYR A 81 -15.768 7.862 7.504 1.00 71.23 C ATOM 1302 O TYR A 81 -15.383 9.017 7.322 1.00 53.02 O ATOM 1303 CB TYR A 81 -13.787 6.532 8.256 1.00 13.10 C ATOM 1304 CG TYR A 81 -14.108 5.487 9.300 1.00 32.32 C ATOM 1305 CD1 TYR A 81 -15.285 5.549 10.035 1.00 34.14 C ATOM 1306 CD2 TYR A 81 -13.234 4.436 9.551 1.00 71.13 C ATOM 1307 CE1 TYR A 81 -15.582 4.596 10.991 1.00 50.32 C ATOM 1308 CE2 TYR A 81 -13.523 3.478 10.503 1.00 33.12 C ATOM 1309 CZ TYR A 81 -14.698 3.563 11.221 1.00 71.31 C ATOM 1310 OH TYR A 81 -14.991 2.611 12.171 1.00 44.02 O ATOM 0 H TYR A 81 -13.477 7.491 5.839 1.00 44.43 H new ATOM 0 HA TYR A 81 -15.477 5.772 7.166 1.00 64.14 H new ATOM 0 HB2 TYR A 81 -12.841 6.277 7.778 1.00 13.10 H new ATOM 0 HB3 TYR A 81 -13.647 7.494 8.748 1.00 13.10 H new ATOM 0 HD1 TYR A 81 -15.980 6.356 9.856 1.00 34.14 H new ATOM 0 HD2 TYR A 81 -12.313 4.367 8.992 1.00 71.13 H new ATOM 0 HE1 TYR A 81 -16.501 4.660 11.555 1.00 50.32 H new ATOM 0 HE2 TYR A 81 -12.833 2.667 10.684 1.00 33.12 H new ATOM 0 HH TYR A 81 -14.404 1.836 12.049 1.00 44.02 H new ATOM 1320 N VAL A 82 -16.972 7.568 7.985 1.00 23.11 N ATOM 1321 CA VAL A 82 -17.930 8.609 8.336 1.00 0.21 C ATOM 1322 C VAL A 82 -18.018 8.789 9.847 1.00 23.45 C ATOM 1323 O VAL A 82 -17.593 7.922 10.612 1.00 31.32 O ATOM 1324 CB VAL A 82 -19.333 8.290 7.786 1.00 64.22 C ATOM 1325 CG1 VAL A 82 -19.964 7.146 8.565 1.00 54.22 C ATOM 1326 CG2 VAL A 82 -20.216 9.527 7.829 1.00 11.42 C ATOM 0 H VAL A 82 -17.307 6.617 8.140 1.00 23.11 H new ATOM 0 HA VAL A 82 -17.572 9.533 7.883 1.00 0.21 H new ATOM 0 HB VAL A 82 -19.235 7.979 6.746 1.00 64.22 H new ATOM 0 HG11 VAL A 82 -20.955 6.935 8.163 1.00 54.22 H new ATOM 0 HG12 VAL A 82 -19.339 6.257 8.477 1.00 54.22 H new ATOM 0 HG13 VAL A 82 -20.051 7.425 9.615 1.00 54.22 H new ATOM 0 HG21 VAL A 82 -21.203 9.283 7.437 1.00 11.42 H new ATOM 0 HG22 VAL A 82 -20.310 9.872 8.859 1.00 11.42 H new ATOM 0 HG23 VAL A 82 -19.769 10.314 7.222 1.00 11.42 H new ATOM 1336 N HIS A 83 -18.572 9.920 10.273 1.00 60.55 N ATOM 1337 CA HIS A 83 -18.717 10.213 11.694 1.00 61.10 C ATOM 1338 C HIS A 83 -20.162 10.022 12.144 1.00 72.34 C ATOM 1339 O HIS A 83 -20.510 8.995 12.727 1.00 13.14 O ATOM 1340 CB HIS A 83 -18.263 11.643 11.990 1.00 33.31 C ATOM 1341 CG HIS A 83 -16.797 11.862 11.778 1.00 21.24 C ATOM 1342 ND1 HIS A 83 -15.954 12.324 12.768 1.00 74.54 N ATOM 1343 CD2 HIS A 83 -16.023 11.678 10.683 1.00 54.21 C ATOM 1344 CE1 HIS A 83 -14.727 12.416 12.289 1.00 5.12 C ATOM 1345 NE2 HIS A 83 -14.741 12.030 11.026 1.00 31.22 N ATOM 0 H HIS A 83 -18.928 10.648 9.654 1.00 60.55 H new ATOM 0 HA HIS A 83 -18.088 9.517 12.249 1.00 61.10 H new ATOM 0 HB2 HIS A 83 -18.820 12.331 11.355 1.00 33.31 H new ATOM 0 HB3 HIS A 83 -18.513 11.889 13.022 1.00 33.31 H new ATOM 0 HD2 HIS A 83 -16.353 11.321 9.719 1.00 54.21 H new ATOM 0 HE1 HIS A 83 -13.859 12.750 12.837 1.00 5.12 H new ATOM 0 HE2 HIS A 83 -13.931 11.999 10.406 1.00 31.22 H new ATOM 1354 N ASP A 84 -20.999 11.016 11.869 1.00 43.34 N ATOM 1355 CA ASP A 84 -22.406 10.958 12.244 1.00 35.44 C ATOM 1356 C ASP A 84 -23.059 12.331 12.122 1.00 33.14 C ATOM 1357 O ASP A 84 -24.092 12.483 11.469 1.00 64.30 O ATOM 1358 CB ASP A 84 -22.553 10.435 13.674 1.00 32.42 C ATOM 1359 CG ASP A 84 -23.112 9.026 13.721 1.00 11.10 C ATOM 1360 OD1 ASP A 84 -22.808 8.237 12.802 1.00 34.03 O ATOM 1361 OD2 ASP A 84 -23.854 8.713 14.676 1.00 50.21 O ATOM 0 H ASP A 84 -20.727 11.873 11.387 1.00 43.34 H new ATOM 0 HA ASP A 84 -22.910 10.274 11.561 1.00 35.44 H new ATOM 0 HB2 ASP A 84 -21.581 10.454 14.166 1.00 32.42 H new ATOM 0 HB3 ASP A 84 -23.207 11.101 14.236 1.00 32.42 H new ATOM 1366 N ASP A 85 -22.451 13.328 12.756 1.00 32.41 N ATOM 1367 CA ASP A 85 -22.973 14.689 12.719 1.00 71.23 C ATOM 1368 C ASP A 85 -23.075 15.192 11.282 1.00 14.44 C ATOM 1369 O ASP A 85 -23.714 16.209 11.014 1.00 2.22 O ATOM 1370 CB ASP A 85 -22.080 15.623 13.537 1.00 34.33 C ATOM 1371 CG ASP A 85 -22.878 16.640 14.329 1.00 35.33 C ATOM 1372 OD1 ASP A 85 -24.020 16.944 13.924 1.00 0.50 O ATOM 1373 OD2 ASP A 85 -22.362 17.130 15.355 1.00 51.11 O ATOM 0 H ASP A 85 -21.596 13.219 13.302 1.00 32.41 H new ATOM 0 HA ASP A 85 -23.972 14.681 13.155 1.00 71.23 H new ATOM 0 HB2 ASP A 85 -21.470 15.032 14.220 1.00 34.33 H new ATOM 0 HB3 ASP A 85 -21.395 16.144 12.868 1.00 34.33 H new ATOM 1378 N GLY A 86 -22.440 14.473 10.362 1.00 54.23 N ATOM 1379 CA GLY A 86 -22.471 14.863 8.964 1.00 13.42 C ATOM 1380 C GLY A 86 -21.084 15.062 8.387 1.00 62.32 C ATOM 1381 O GLY A 86 -20.916 15.746 7.377 1.00 14.23 O ATOM 0 H GLY A 86 -21.905 13.628 10.559 1.00 54.23 H new ATOM 0 HA2 GLY A 86 -22.994 14.100 8.389 1.00 13.42 H new ATOM 0 HA3 GLY A 86 -23.040 15.787 8.860 1.00 13.42 H new ATOM 1385 N ARG A 87 -20.086 14.463 9.029 1.00 12.22 N ATOM 1386 CA ARG A 87 -18.706 14.580 8.575 1.00 42.01 C ATOM 1387 C ARG A 87 -18.148 13.217 8.174 1.00 52.41 C ATOM 1388 O ARG A 87 -18.313 12.232 8.893 1.00 60.55 O ATOM 1389 CB ARG A 87 -17.836 15.196 9.672 1.00 42.20 C ATOM 1390 CG ARG A 87 -18.157 16.654 9.957 1.00 12.22 C ATOM 1391 CD ARG A 87 -17.730 17.554 8.808 1.00 31.11 C ATOM 1392 NE ARG A 87 -18.184 18.930 8.992 1.00 31.32 N ATOM 1393 CZ ARG A 87 -18.234 19.825 8.012 1.00 63.31 C ATOM 1394 NH1 ARG A 87 -17.860 19.490 6.785 1.00 45.13 N ATOM 1395 NH2 ARG A 87 -18.659 21.057 8.258 1.00 3.41 N ATOM 0 H ARG A 87 -20.208 13.892 9.865 1.00 12.22 H new ATOM 0 HA ARG A 87 -18.692 15.231 7.701 1.00 42.01 H new ATOM 0 HB2 ARG A 87 -17.960 14.620 10.589 1.00 42.20 H new ATOM 0 HB3 ARG A 87 -16.788 15.113 9.383 1.00 42.20 H new ATOM 0 HG2 ARG A 87 -19.228 16.765 10.129 1.00 12.22 H new ATOM 0 HG3 ARG A 87 -17.653 16.966 10.872 1.00 12.22 H new ATOM 0 HD2 ARG A 87 -16.644 17.539 8.721 1.00 31.11 H new ATOM 0 HD3 ARG A 87 -18.130 17.162 7.873 1.00 31.11 H new ATOM 0 HE ARG A 87 -18.479 19.220 9.925 1.00 31.32 H new ATOM 0 HH11 ARG A 87 -17.533 18.543 6.592 1.00 45.13 H new ATOM 0 HH12 ARG A 87 -17.899 20.179 6.034 1.00 45.13 H new ATOM 0 HH21 ARG A 87 -18.948 21.318 9.201 1.00 3.41 H new ATOM 0 HH22 ARG A 87 -18.697 21.743 7.504 1.00 3.41 H new ATOM 1409 N VAL A 88 -17.488 13.170 7.021 1.00 30.21 N ATOM 1410 CA VAL A 88 -16.906 11.929 6.524 1.00 24.14 C ATOM 1411 C VAL A 88 -15.554 12.181 5.866 1.00 2.22 C ATOM 1412 O VAL A 88 -15.452 12.948 4.908 1.00 25.35 O ATOM 1413 CB VAL A 88 -17.837 11.238 5.511 1.00 41.13 C ATOM 1414 CG1 VAL A 88 -18.153 12.173 4.353 1.00 73.40 C ATOM 1415 CG2 VAL A 88 -17.211 9.946 5.008 1.00 74.22 C ATOM 0 H VAL A 88 -17.343 13.977 6.414 1.00 30.21 H new ATOM 0 HA VAL A 88 -16.771 11.276 7.386 1.00 24.14 H new ATOM 0 HB VAL A 88 -18.772 10.990 6.013 1.00 41.13 H new ATOM 0 HG11 VAL A 88 -18.812 11.668 3.647 1.00 73.40 H new ATOM 0 HG12 VAL A 88 -18.645 13.068 4.732 1.00 73.40 H new ATOM 0 HG13 VAL A 88 -17.228 12.454 3.849 1.00 73.40 H new ATOM 0 HG21 VAL A 88 -17.882 9.471 4.293 1.00 74.22 H new ATOM 0 HG22 VAL A 88 -16.261 10.167 4.522 1.00 74.22 H new ATOM 0 HG23 VAL A 88 -17.041 9.273 5.848 1.00 74.22 H new ATOM 1425 N SER A 89 -14.518 11.531 6.386 1.00 21.53 N ATOM 1426 CA SER A 89 -13.170 11.687 5.851 1.00 34.42 C ATOM 1427 C SER A 89 -12.640 10.359 5.320 1.00 24.51 C ATOM 1428 O SER A 89 -13.108 9.289 5.711 1.00 50.01 O ATOM 1429 CB SER A 89 -12.231 12.230 6.929 1.00 24.02 C ATOM 1430 OG SER A 89 -12.741 13.424 7.496 1.00 13.03 O ATOM 0 H SER A 89 -14.586 10.891 7.177 1.00 21.53 H new ATOM 0 HA SER A 89 -13.213 12.397 5.025 1.00 34.42 H new ATOM 0 HB2 SER A 89 -12.097 11.481 7.710 1.00 24.02 H new ATOM 0 HB3 SER A 89 -11.248 12.420 6.498 1.00 24.02 H new ATOM 0 HG SER A 89 -12.123 13.750 8.183 1.00 13.03 H new ATOM 1436 N TYR A 90 -11.659 10.435 4.427 1.00 13.40 N ATOM 1437 CA TYR A 90 -11.065 9.240 3.839 1.00 14.44 C ATOM 1438 C TYR A 90 -9.669 8.993 4.402 1.00 11.00 C ATOM 1439 O TYR A 90 -8.675 9.546 3.931 1.00 61.31 O ATOM 1440 CB TYR A 90 -10.998 9.375 2.317 1.00 25.12 C ATOM 1441 CG TYR A 90 -12.081 10.257 1.738 1.00 4.04 C ATOM 1442 CD1 TYR A 90 -13.424 9.952 1.921 1.00 2.50 C ATOM 1443 CD2 TYR A 90 -11.760 11.396 1.009 1.00 34.15 C ATOM 1444 CE1 TYR A 90 -14.416 10.755 1.393 1.00 14.23 C ATOM 1445 CE2 TYR A 90 -12.746 12.205 0.479 1.00 15.33 C ATOM 1446 CZ TYR A 90 -14.073 11.880 0.673 1.00 1.54 C ATOM 1447 OH TYR A 90 -15.059 12.683 0.147 1.00 2.53 O ATOM 0 H TYR A 90 -11.258 11.312 4.094 1.00 13.40 H new ATOM 0 HA TYR A 90 -11.695 8.388 4.094 1.00 14.44 H new ATOM 0 HB2 TYR A 90 -10.025 9.780 2.039 1.00 25.12 H new ATOM 0 HB3 TYR A 90 -11.071 8.384 1.869 1.00 25.12 H new ATOM 0 HD1 TYR A 90 -13.697 9.073 2.485 1.00 2.50 H new ATOM 0 HD2 TYR A 90 -10.722 11.653 0.854 1.00 34.15 H new ATOM 0 HE1 TYR A 90 -15.455 10.503 1.543 1.00 14.23 H new ATOM 0 HE2 TYR A 90 -12.480 13.087 -0.084 1.00 15.33 H new ATOM 0 HH TYR A 90 -14.649 13.434 -0.331 1.00 2.53 H new ATOM 1457 N PRO A 91 -9.591 8.141 5.435 1.00 11.00 N ATOM 1458 CA PRO A 91 -8.322 7.799 6.085 1.00 74.33 C ATOM 1459 C PRO A 91 -7.424 6.951 5.191 1.00 24.00 C ATOM 1460 O PRO A 91 -7.574 5.730 5.120 1.00 12.55 O ATOM 1461 CB PRO A 91 -8.758 7.000 7.316 1.00 54.32 C ATOM 1462 CG PRO A 91 -10.085 6.432 6.948 1.00 34.31 C ATOM 1463 CD PRO A 91 -10.735 7.446 6.048 1.00 74.20 C ATOM 0 HA PRO A 91 -7.733 8.685 6.322 1.00 74.33 H new ATOM 0 HB2 PRO A 91 -8.042 6.213 7.551 1.00 54.32 H new ATOM 0 HB3 PRO A 91 -8.831 7.638 8.197 1.00 54.32 H new ATOM 0 HG2 PRO A 91 -9.972 5.475 6.439 1.00 34.31 H new ATOM 0 HG3 PRO A 91 -10.692 6.252 7.835 1.00 34.31 H new ATOM 0 HD2 PRO A 91 -11.366 6.971 5.297 1.00 74.20 H new ATOM 0 HD3 PRO A 91 -11.369 8.133 6.609 1.00 74.20 H new ATOM 1471 N LEU A 92 -6.489 7.604 4.510 1.00 3.41 N ATOM 1472 CA LEU A 92 -5.564 6.910 3.620 1.00 13.14 C ATOM 1473 C LEU A 92 -4.541 6.107 4.417 1.00 33.13 C ATOM 1474 O LEU A 92 -3.912 6.626 5.340 1.00 40.21 O ATOM 1475 CB LEU A 92 -4.848 7.913 2.714 1.00 72.43 C ATOM 1476 CG LEU A 92 -5.304 7.942 1.254 1.00 2.44 C ATOM 1477 CD1 LEU A 92 -5.940 9.283 0.921 1.00 22.01 C ATOM 1478 CD2 LEU A 92 -4.133 7.659 0.324 1.00 12.43 C ATOM 0 H LEU A 92 -6.351 8.614 4.557 1.00 3.41 H new ATOM 0 HA LEU A 92 -6.140 6.220 3.004 1.00 13.14 H new ATOM 0 HB2 LEU A 92 -4.979 8.910 3.135 1.00 72.43 H new ATOM 0 HB3 LEU A 92 -3.780 7.695 2.736 1.00 72.43 H new ATOM 0 HG LEU A 92 -6.052 7.162 1.111 1.00 2.44 H new ATOM 0 HD11 LEU A 92 -6.258 9.286 -0.121 1.00 22.01 H new ATOM 0 HD12 LEU A 92 -6.804 9.446 1.565 1.00 22.01 H new ATOM 0 HD13 LEU A 92 -5.214 10.080 1.081 1.00 22.01 H new ATOM 0 HD21 LEU A 92 -4.476 7.684 -0.710 1.00 12.43 H new ATOM 0 HD22 LEU A 92 -3.362 8.416 0.469 1.00 12.43 H new ATOM 0 HD23 LEU A 92 -3.721 6.675 0.547 1.00 12.43 H new ATOM 1490 N CYS A 93 -4.379 4.840 4.054 1.00 72.40 N ATOM 1491 CA CYS A 93 -3.431 3.964 4.734 1.00 10.53 C ATOM 1492 C CYS A 93 -2.511 3.275 3.732 1.00 52.44 C ATOM 1493 O CYS A 93 -2.796 3.239 2.534 1.00 14.34 O ATOM 1494 CB CYS A 93 -4.176 2.918 5.564 1.00 21.03 C ATOM 1495 SG CYS A 93 -5.138 3.608 6.931 1.00 54.04 S ATOM 0 H CYS A 93 -4.892 4.396 3.292 1.00 72.40 H new ATOM 0 HA CYS A 93 -2.821 4.576 5.398 1.00 10.53 H new ATOM 0 HB2 CYS A 93 -4.845 2.359 4.909 1.00 21.03 H new ATOM 0 HB3 CYS A 93 -3.454 2.206 5.965 1.00 21.03 H new ATOM 0 HG CYS A 93 -6.263 4.076 6.477 1.00 54.04 H new ATOM 1501 N PHE A 94 -1.405 2.731 4.228 1.00 35.31 N ATOM 1502 CA PHE A 94 -0.442 2.045 3.375 1.00 24.24 C ATOM 1503 C PHE A 94 -0.517 0.534 3.575 1.00 34.10 C ATOM 1504 O PHE A 94 -0.045 0.006 4.582 1.00 20.21 O ATOM 1505 CB PHE A 94 0.976 2.539 3.672 1.00 52.25 C ATOM 1506 CG PHE A 94 2.004 2.026 2.704 1.00 30.24 C ATOM 1507 CD1 PHE A 94 2.110 2.567 1.434 1.00 42.55 C ATOM 1508 CD2 PHE A 94 2.865 1.002 3.066 1.00 15.04 C ATOM 1509 CE1 PHE A 94 3.055 2.096 0.542 1.00 51.24 C ATOM 1510 CE2 PHE A 94 3.812 0.527 2.179 1.00 74.03 C ATOM 1511 CZ PHE A 94 3.907 1.076 0.915 1.00 65.30 C ATOM 0 H PHE A 94 -1.153 2.752 5.216 1.00 35.31 H new ATOM 0 HA PHE A 94 -0.689 2.269 2.337 1.00 24.24 H new ATOM 0 HB2 PHE A 94 0.984 3.629 3.654 1.00 52.25 H new ATOM 0 HB3 PHE A 94 1.255 2.235 4.681 1.00 52.25 H new ATOM 0 HD1 PHE A 94 1.447 3.366 1.137 1.00 42.55 H new ATOM 0 HD2 PHE A 94 2.795 0.570 4.053 1.00 15.04 H new ATOM 0 HE1 PHE A 94 3.127 2.526 -0.446 1.00 51.24 H new ATOM 0 HE2 PHE A 94 4.477 -0.272 2.473 1.00 74.03 H new ATOM 0 HZ PHE A 94 4.647 0.708 0.220 1.00 65.30 H new ATOM 1521 N ILE A 95 -1.115 -0.155 2.609 1.00 73.10 N ATOM 1522 CA ILE A 95 -1.253 -1.605 2.678 1.00 42.41 C ATOM 1523 C ILE A 95 -0.097 -2.301 1.968 1.00 42.23 C ATOM 1524 O ILE A 95 -0.005 -2.279 0.740 1.00 3.11 O ATOM 1525 CB ILE A 95 -2.581 -2.074 2.055 1.00 23.41 C ATOM 1526 CG1 ILE A 95 -3.766 -1.464 2.806 1.00 4.41 C ATOM 1527 CG2 ILE A 95 -2.664 -3.593 2.069 1.00 71.50 C ATOM 1528 CD1 ILE A 95 -5.107 -1.792 2.189 1.00 62.45 C ATOM 0 H ILE A 95 -1.512 0.267 1.769 1.00 73.10 H new ATOM 0 HA ILE A 95 -1.242 -1.874 3.734 1.00 42.41 H new ATOM 0 HB ILE A 95 -2.619 -1.736 1.019 1.00 23.41 H new ATOM 0 HG12 ILE A 95 -3.753 -1.818 3.837 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -3.646 -0.381 2.839 1.00 4.41 H new ATOM 0 HG21 ILE A 95 -3.608 -3.910 1.626 1.00 71.50 H new ATOM 0 HG22 ILE A 95 -1.836 -4.008 1.495 1.00 71.50 H new ATOM 0 HG23 ILE A 95 -2.608 -3.951 3.097 1.00 71.50 H new ATOM 0 HD11 ILE A 95 -5.900 -1.327 2.774 1.00 62.45 H new ATOM 0 HD12 ILE A 95 -5.140 -1.414 1.167 1.00 62.45 H new ATOM 0 HD13 ILE A 95 -5.249 -2.873 2.180 1.00 62.45 H new ATOM 1540 N PHE A 96 0.783 -2.920 2.748 1.00 51.01 N ATOM 1541 CA PHE A 96 1.933 -3.624 2.194 1.00 64.31 C ATOM 1542 C PHE A 96 1.586 -5.078 1.889 1.00 32.51 C ATOM 1543 O PHE A 96 1.444 -5.897 2.797 1.00 35.40 O ATOM 1544 CB PHE A 96 3.113 -3.563 3.167 1.00 74.21 C ATOM 1545 CG PHE A 96 4.329 -4.300 2.682 1.00 14.42 C ATOM 1546 CD1 PHE A 96 4.433 -4.696 1.359 1.00 40.23 C ATOM 1547 CD2 PHE A 96 5.367 -4.596 3.550 1.00 30.24 C ATOM 1548 CE1 PHE A 96 5.551 -5.373 0.909 1.00 32.42 C ATOM 1549 CE2 PHE A 96 6.487 -5.273 3.107 1.00 63.04 C ATOM 1550 CZ PHE A 96 6.579 -5.663 1.785 1.00 72.23 C ATOM 0 H PHE A 96 0.721 -2.948 3.766 1.00 51.01 H new ATOM 0 HA PHE A 96 2.213 -3.133 1.262 1.00 64.31 H new ATOM 0 HB2 PHE A 96 3.376 -2.520 3.342 1.00 74.21 H new ATOM 0 HB3 PHE A 96 2.805 -3.979 4.126 1.00 74.21 H new ATOM 0 HD1 PHE A 96 3.631 -4.473 0.671 1.00 40.23 H new ATOM 0 HD2 PHE A 96 5.300 -4.294 4.585 1.00 30.24 H new ATOM 0 HE1 PHE A 96 5.621 -5.675 -0.126 1.00 32.42 H new ATOM 0 HE2 PHE A 96 7.290 -5.497 3.794 1.00 63.04 H new ATOM 0 HZ PHE A 96 7.453 -6.194 1.437 1.00 72.23 H new ATOM 1560 N SER A 97 1.450 -5.391 0.604 1.00 31.44 N ATOM 1561 CA SER A 97 1.115 -6.745 0.179 1.00 74.22 C ATOM 1562 C SER A 97 2.345 -7.647 0.217 1.00 34.11 C ATOM 1563 O SER A 97 3.172 -7.627 -0.694 1.00 55.45 O ATOM 1564 CB SER A 97 0.525 -6.727 -1.233 1.00 31.42 C ATOM 1565 OG SER A 97 -0.105 -7.960 -1.538 1.00 42.41 O ATOM 0 H SER A 97 1.567 -4.726 -0.160 1.00 31.44 H new ATOM 0 HA SER A 97 0.373 -7.143 0.871 1.00 74.22 H new ATOM 0 HB2 SER A 97 -0.197 -5.915 -1.319 1.00 31.42 H new ATOM 0 HB3 SER A 97 1.314 -6.529 -1.958 1.00 31.42 H new ATOM 0 HG SER A 97 -0.047 -8.127 -2.502 1.00 42.41 H new ATOM 1571 N SER A 98 2.458 -8.438 1.279 1.00 32.03 N ATOM 1572 CA SER A 98 3.588 -9.345 1.440 1.00 61.11 C ATOM 1573 C SER A 98 3.116 -10.731 1.870 1.00 10.55 C ATOM 1574 O SER A 98 2.933 -11.012 3.055 1.00 14.40 O ATOM 1575 CB SER A 98 4.575 -8.788 2.468 1.00 54.31 C ATOM 1576 OG SER A 98 4.045 -8.871 3.780 1.00 64.12 O ATOM 0 H SER A 98 1.781 -8.469 2.041 1.00 32.03 H new ATOM 0 HA SER A 98 4.090 -9.434 0.477 1.00 61.11 H new ATOM 0 HB2 SER A 98 5.512 -9.342 2.415 1.00 54.31 H new ATOM 0 HB3 SER A 98 4.805 -7.749 2.230 1.00 54.31 H new ATOM 0 HG SER A 98 3.397 -9.604 3.825 1.00 64.12 H new ATOM 1582 N PRO A 99 2.914 -11.618 0.886 1.00 71.44 N ATOM 1583 CA PRO A 99 2.461 -12.990 1.137 1.00 40.22 C ATOM 1584 C PRO A 99 3.531 -13.838 1.815 1.00 32.54 C ATOM 1585 O PRO A 99 4.653 -13.382 2.035 1.00 12.12 O ATOM 1586 CB PRO A 99 2.162 -13.527 -0.265 1.00 50.10 C ATOM 1587 CG PRO A 99 3.023 -12.718 -1.172 1.00 53.54 C ATOM 1588 CD PRO A 99 3.113 -11.352 -0.549 1.00 33.11 C ATOM 0 HA PRO A 99 1.605 -13.020 1.811 1.00 40.22 H new ATOM 0 HB2 PRO A 99 2.396 -14.589 -0.340 1.00 50.10 H new ATOM 0 HB3 PRO A 99 1.107 -13.414 -0.516 1.00 50.10 H new ATOM 0 HG2 PRO A 99 4.011 -13.166 -1.274 1.00 53.54 H new ATOM 0 HG3 PRO A 99 2.593 -12.663 -2.172 1.00 53.54 H new ATOM 0 HD2 PRO A 99 4.079 -10.886 -0.741 1.00 33.11 H new ATOM 0 HD3 PRO A 99 2.351 -10.680 -0.943 1.00 33.11 H new ATOM 1596 N VAL A 100 3.177 -15.077 2.145 1.00 14.41 N ATOM 1597 CA VAL A 100 4.107 -15.990 2.798 1.00 42.15 C ATOM 1598 C VAL A 100 4.607 -17.052 1.825 1.00 20.42 C ATOM 1599 O VAL A 100 5.270 -18.010 2.222 1.00 11.32 O ATOM 1600 CB VAL A 100 3.456 -16.684 4.009 1.00 43.21 C ATOM 1601 CG1 VAL A 100 2.512 -17.784 3.550 1.00 34.11 C ATOM 1602 CG2 VAL A 100 4.523 -17.239 4.940 1.00 32.45 C ATOM 0 H VAL A 100 2.252 -15.471 1.970 1.00 14.41 H new ATOM 0 HA VAL A 100 4.950 -15.391 3.143 1.00 42.15 H new ATOM 0 HB VAL A 100 2.873 -15.946 4.560 1.00 43.21 H new ATOM 0 HG11 VAL A 100 2.061 -18.263 4.419 1.00 34.11 H new ATOM 0 HG12 VAL A 100 1.729 -17.354 2.926 1.00 34.11 H new ATOM 0 HG13 VAL A 100 3.068 -18.525 2.975 1.00 34.11 H new ATOM 0 HG21 VAL A 100 4.046 -17.726 5.791 1.00 32.45 H new ATOM 0 HG22 VAL A 100 5.134 -17.964 4.402 1.00 32.45 H new ATOM 0 HG23 VAL A 100 5.155 -16.425 5.295 1.00 32.45 H new ATOM 1612 N GLY A 101 4.285 -16.876 0.547 1.00 34.23 N ATOM 1613 CA GLY A 101 4.709 -17.827 -0.463 1.00 24.50 C ATOM 1614 C GLY A 101 5.705 -17.231 -1.439 1.00 34.44 C ATOM 1615 O GLY A 101 6.129 -17.894 -2.386 1.00 34.50 O ATOM 0 H GLY A 101 3.738 -16.091 0.193 1.00 34.23 H new ATOM 0 HA2 GLY A 101 5.156 -18.694 0.024 1.00 24.50 H new ATOM 0 HA3 GLY A 101 3.837 -18.183 -1.011 1.00 24.50 H new ATOM 1619 N CYS A 102 6.077 -15.977 -1.209 1.00 21.31 N ATOM 1620 CA CYS A 102 7.027 -15.291 -2.077 1.00 41.40 C ATOM 1621 C CYS A 102 8.462 -15.649 -1.704 1.00 11.23 C ATOM 1622 O CYS A 102 8.703 -16.351 -0.721 1.00 52.23 O ATOM 1623 CB CYS A 102 6.827 -13.777 -1.990 1.00 4.10 C ATOM 1624 SG CYS A 102 6.615 -13.156 -0.305 1.00 43.11 S ATOM 0 H CYS A 102 5.736 -15.415 -0.429 1.00 21.31 H new ATOM 0 HA CYS A 102 6.846 -15.616 -3.101 1.00 41.40 H new ATOM 0 HB2 CYS A 102 7.686 -13.281 -2.443 1.00 4.10 H new ATOM 0 HB3 CYS A 102 5.952 -13.502 -2.580 1.00 4.10 H new ATOM 0 HG CYS A 102 5.479 -13.571 0.171 1.00 43.11 H new ATOM 1630 N LYS A 103 9.412 -15.163 -2.495 1.00 64.30 N ATOM 1631 CA LYS A 103 10.824 -15.432 -2.249 1.00 43.33 C ATOM 1632 C LYS A 103 11.445 -14.336 -1.388 1.00 54.14 C ATOM 1633 O LYS A 103 11.058 -13.169 -1.454 1.00 3.45 O ATOM 1634 CB LYS A 103 11.581 -15.544 -3.574 1.00 45.25 C ATOM 1635 CG LYS A 103 10.788 -16.232 -4.672 1.00 3.11 C ATOM 1636 CD LYS A 103 10.670 -15.356 -5.907 1.00 54.45 C ATOM 1637 CE LYS A 103 12.025 -15.124 -6.559 1.00 14.24 C ATOM 1638 NZ LYS A 103 12.313 -16.134 -7.614 1.00 72.00 N ATOM 0 H LYS A 103 9.230 -14.581 -3.312 1.00 64.30 H new ATOM 0 HA LYS A 103 10.900 -16.378 -1.713 1.00 43.33 H new ATOM 0 HB2 LYS A 103 11.859 -14.545 -3.910 1.00 45.25 H new ATOM 0 HB3 LYS A 103 12.508 -16.093 -3.408 1.00 45.25 H new ATOM 0 HG2 LYS A 103 11.272 -17.172 -4.937 1.00 3.11 H new ATOM 0 HG3 LYS A 103 9.792 -16.478 -4.303 1.00 3.11 H new ATOM 0 HD2 LYS A 103 9.996 -15.825 -6.624 1.00 54.45 H new ATOM 0 HD3 LYS A 103 10.228 -14.398 -5.634 1.00 54.45 H new ATOM 0 HE2 LYS A 103 12.052 -14.125 -6.995 1.00 14.24 H new ATOM 0 HE3 LYS A 103 12.805 -15.161 -5.799 1.00 14.24 H new ATOM 0 HZ1 LYS A 103 13.245 -15.941 -8.034 1.00 72.00 H new ATOM 0 HZ2 LYS A 103 12.313 -17.085 -7.193 1.00 72.00 H new ATOM 0 HZ3 LYS A 103 11.583 -16.082 -8.353 1.00 72.00 H new ATOM 1652 N PRO A 104 12.430 -14.718 -0.563 1.00 4.52 N ATOM 1653 CA PRO A 104 13.126 -13.781 0.325 1.00 23.41 C ATOM 1654 C PRO A 104 14.013 -12.806 -0.441 1.00 51.12 C ATOM 1655 O PRO A 104 14.471 -11.806 0.110 1.00 1.22 O ATOM 1656 CB PRO A 104 13.977 -14.697 1.209 1.00 45.23 C ATOM 1657 CG PRO A 104 14.189 -15.924 0.390 1.00 0.52 C ATOM 1658 CD PRO A 104 12.942 -16.092 -0.433 1.00 61.20 C ATOM 0 HA PRO A 104 12.430 -13.154 0.882 1.00 23.41 H new ATOM 0 HB2 PRO A 104 14.925 -14.226 1.470 1.00 45.23 H new ATOM 0 HB3 PRO A 104 13.468 -14.929 2.145 1.00 45.23 H new ATOM 0 HG2 PRO A 104 15.067 -15.821 -0.248 1.00 0.52 H new ATOM 0 HG3 PRO A 104 14.357 -16.793 1.026 1.00 0.52 H new ATOM 0 HD2 PRO A 104 13.159 -16.533 -1.406 1.00 61.20 H new ATOM 0 HD3 PRO A 104 12.221 -16.744 0.059 1.00 61.20 H new ATOM 1666 N GLU A 105 14.250 -13.104 -1.715 1.00 11.21 N ATOM 1667 CA GLU A 105 15.083 -12.252 -2.556 1.00 15.22 C ATOM 1668 C GLU A 105 14.325 -10.995 -2.975 1.00 45.05 C ATOM 1669 O GLU A 105 14.908 -9.917 -3.092 1.00 24.44 O ATOM 1670 CB GLU A 105 15.547 -13.019 -3.796 1.00 12.42 C ATOM 1671 CG GLU A 105 17.056 -13.043 -3.966 1.00 65.43 C ATOM 1672 CD GLU A 105 17.518 -12.278 -5.192 1.00 32.53 C ATOM 1673 OE1 GLU A 105 16.813 -11.333 -5.601 1.00 43.54 O ATOM 1674 OE2 GLU A 105 18.584 -12.626 -5.741 1.00 24.44 O ATOM 0 H GLU A 105 13.877 -13.928 -2.187 1.00 11.21 H new ATOM 0 HA GLU A 105 15.956 -11.953 -1.976 1.00 15.22 H new ATOM 0 HB2 GLU A 105 15.180 -14.044 -3.738 1.00 12.42 H new ATOM 0 HB3 GLU A 105 15.097 -12.569 -4.681 1.00 12.42 H new ATOM 0 HG2 GLU A 105 17.525 -12.617 -3.079 1.00 65.43 H new ATOM 0 HG3 GLU A 105 17.393 -14.077 -4.039 1.00 65.43 H new ATOM 1681 N GLN A 106 13.024 -11.143 -3.202 1.00 22.03 N ATOM 1682 CA GLN A 106 12.188 -10.021 -3.610 1.00 13.43 C ATOM 1683 C GLN A 106 11.605 -9.306 -2.395 1.00 33.32 C ATOM 1684 O GLN A 106 11.798 -8.104 -2.219 1.00 10.20 O ATOM 1685 CB GLN A 106 11.059 -10.503 -4.522 1.00 62.54 C ATOM 1686 CG GLN A 106 11.475 -11.622 -5.464 1.00 50.24 C ATOM 1687 CD GLN A 106 12.315 -11.126 -6.625 1.00 10.53 C ATOM 1688 OE1 GLN A 106 13.428 -11.603 -6.849 1.00 54.24 O ATOM 1689 NE2 GLN A 106 11.786 -10.162 -7.370 1.00 34.23 N ATOM 0 H GLN A 106 12.526 -12.029 -3.110 1.00 22.03 H new ATOM 0 HA GLN A 106 12.813 -9.316 -4.159 1.00 13.43 H new ATOM 0 HB2 GLN A 106 10.228 -10.847 -3.907 1.00 62.54 H new ATOM 0 HB3 GLN A 106 10.693 -9.661 -5.110 1.00 62.54 H new ATOM 0 HG2 GLN A 106 12.038 -12.370 -4.907 1.00 50.24 H new ATOM 0 HG3 GLN A 106 10.584 -12.117 -5.850 1.00 50.24 H new ATOM 0 HE21 GLN A 106 10.860 -9.796 -7.148 1.00 34.23 H new ATOM 0 HE22 GLN A 106 12.306 -9.788 -8.164 1.00 34.23 H new ATOM 1698 N GLN A 107 10.891 -10.055 -1.561 1.00 33.15 N ATOM 1699 CA GLN A 107 10.279 -9.492 -0.363 1.00 32.12 C ATOM 1700 C GLN A 107 11.172 -8.419 0.252 1.00 73.41 C ATOM 1701 O GLN A 107 10.691 -7.376 0.692 1.00 0.42 O ATOM 1702 CB GLN A 107 10.006 -10.594 0.662 1.00 31.33 C ATOM 1703 CG GLN A 107 8.565 -10.632 1.146 1.00 4.23 C ATOM 1704 CD GLN A 107 8.404 -10.067 2.544 1.00 44.21 C ATOM 1705 OE1 GLN A 107 8.201 -10.808 3.506 1.00 54.11 O ATOM 1706 NE2 GLN A 107 8.495 -8.747 2.663 1.00 23.44 N ATOM 0 H GLN A 107 10.722 -11.052 -1.693 1.00 33.15 H new ATOM 0 HA GLN A 107 9.334 -9.031 -0.651 1.00 32.12 H new ATOM 0 HB2 GLN A 107 10.258 -11.559 0.222 1.00 31.33 H new ATOM 0 HB3 GLN A 107 10.665 -10.453 1.519 1.00 31.33 H new ATOM 0 HG2 GLN A 107 7.939 -10.067 0.456 1.00 4.23 H new ATOM 0 HG3 GLN A 107 8.208 -11.662 1.131 1.00 4.23 H new ATOM 0 HE21 GLN A 107 8.664 -8.171 1.838 1.00 23.44 H new ATOM 0 HE22 GLN A 107 8.396 -8.309 3.579 1.00 23.44 H new ATOM 1715 N MET A 108 12.474 -8.684 0.279 1.00 72.43 N ATOM 1716 CA MET A 108 13.434 -7.741 0.839 1.00 11.41 C ATOM 1717 C MET A 108 13.434 -6.434 0.052 1.00 3.22 C ATOM 1718 O MET A 108 13.441 -5.349 0.633 1.00 11.02 O ATOM 1719 CB MET A 108 14.838 -8.349 0.841 1.00 53.22 C ATOM 1720 CG MET A 108 15.118 -9.228 2.049 1.00 12.41 C ATOM 1721 SD MET A 108 16.842 -9.160 2.572 1.00 31.04 S ATOM 1722 CE MET A 108 17.672 -9.681 1.073 1.00 35.31 C ATOM 0 H MET A 108 12.888 -9.544 -0.080 1.00 72.43 H new ATOM 0 HA MET A 108 13.138 -7.527 1.866 1.00 11.41 H new ATOM 0 HB2 MET A 108 14.971 -8.939 -0.066 1.00 53.22 H new ATOM 0 HB3 MET A 108 15.573 -7.545 0.809 1.00 53.22 H new ATOM 0 HG2 MET A 108 14.479 -8.917 2.876 1.00 12.41 H new ATOM 0 HG3 MET A 108 14.854 -10.259 1.812 1.00 12.41 H new ATOM 0 HE1 MET A 108 18.730 -9.844 1.281 1.00 35.31 H new ATOM 0 HE2 MET A 108 17.226 -10.608 0.713 1.00 35.31 H new ATOM 0 HE3 MET A 108 17.567 -8.908 0.311 1.00 35.31 H new ATOM 1732 N MET A 109 13.427 -6.546 -1.272 1.00 44.50 N ATOM 1733 CA MET A 109 13.426 -5.372 -2.138 1.00 1.14 C ATOM 1734 C MET A 109 12.319 -4.402 -1.737 1.00 20.02 C ATOM 1735 O MET A 109 12.497 -3.185 -1.792 1.00 52.04 O ATOM 1736 CB MET A 109 13.250 -5.790 -3.599 1.00 12.42 C ATOM 1737 CG MET A 109 14.468 -6.486 -4.183 1.00 21.10 C ATOM 1738 SD MET A 109 14.131 -7.253 -5.780 1.00 12.52 S ATOM 1739 CE MET A 109 13.513 -5.849 -6.705 1.00 41.13 C ATOM 0 H MET A 109 13.422 -7.437 -1.769 1.00 44.50 H new ATOM 0 HA MET A 109 14.385 -4.867 -2.025 1.00 1.14 H new ATOM 0 HB2 MET A 109 12.390 -6.455 -3.677 1.00 12.42 H new ATOM 0 HB3 MET A 109 13.025 -4.907 -4.197 1.00 12.42 H new ATOM 0 HG2 MET A 109 15.276 -5.763 -4.295 1.00 21.10 H new ATOM 0 HG3 MET A 109 14.816 -7.247 -3.485 1.00 21.10 H new ATOM 0 HE1 MET A 109 13.344 -6.142 -7.741 1.00 41.13 H new ATOM 0 HE2 MET A 109 12.575 -5.509 -6.266 1.00 41.13 H new ATOM 0 HE3 MET A 109 14.244 -5.041 -6.671 1.00 41.13 H new ATOM 1749 N TYR A 110 11.177 -4.948 -1.334 1.00 24.54 N ATOM 1750 CA TYR A 110 10.041 -4.131 -0.926 1.00 72.12 C ATOM 1751 C TYR A 110 10.100 -3.821 0.567 1.00 72.45 C ATOM 1752 O TYR A 110 9.682 -2.751 1.007 1.00 51.24 O ATOM 1753 CB TYR A 110 8.729 -4.843 -1.259 1.00 55.02 C ATOM 1754 CG TYR A 110 8.623 -5.273 -2.705 1.00 12.20 C ATOM 1755 CD1 TYR A 110 9.338 -6.365 -3.179 1.00 63.53 C ATOM 1756 CD2 TYR A 110 7.808 -4.586 -3.597 1.00 25.11 C ATOM 1757 CE1 TYR A 110 9.246 -6.762 -4.500 1.00 15.55 C ATOM 1758 CE2 TYR A 110 7.708 -4.976 -4.918 1.00 44.13 C ATOM 1759 CZ TYR A 110 8.429 -6.064 -5.365 1.00 11.11 C ATOM 1760 OH TYR A 110 8.333 -6.455 -6.681 1.00 0.51 O ATOM 0 H TYR A 110 11.014 -5.953 -1.281 1.00 24.54 H new ATOM 0 HA TYR A 110 10.086 -3.191 -1.475 1.00 72.12 H new ATOM 0 HB2 TYR A 110 8.629 -5.720 -0.620 1.00 55.02 H new ATOM 0 HB3 TYR A 110 7.896 -4.180 -1.024 1.00 55.02 H new ATOM 0 HD1 TYR A 110 9.977 -6.914 -2.504 1.00 63.53 H new ATOM 0 HD2 TYR A 110 7.243 -3.733 -3.251 1.00 25.11 H new ATOM 0 HE1 TYR A 110 9.810 -7.613 -4.852 1.00 15.55 H new ATOM 0 HE2 TYR A 110 7.069 -4.432 -5.598 1.00 44.13 H new ATOM 0 HH TYR A 110 7.716 -5.859 -7.155 1.00 0.51 H new ATOM 1770 N ALA A 111 10.623 -4.767 1.340 1.00 33.01 N ATOM 1771 CA ALA A 111 10.740 -4.596 2.783 1.00 53.41 C ATOM 1772 C ALA A 111 11.764 -3.519 3.127 1.00 74.04 C ATOM 1773 O ALA A 111 11.672 -2.871 4.168 1.00 14.11 O ATOM 1774 CB ALA A 111 11.116 -5.914 3.442 1.00 31.23 C ATOM 0 H ALA A 111 10.972 -5.660 0.991 1.00 33.01 H new ATOM 0 HA ALA A 111 9.771 -4.275 3.166 1.00 53.41 H new ATOM 0 HB1 ALA A 111 11.200 -5.771 4.519 1.00 31.23 H new ATOM 0 HB2 ALA A 111 10.347 -6.658 3.233 1.00 31.23 H new ATOM 0 HB3 ALA A 111 12.071 -6.259 3.046 1.00 31.23 H new ATOM 1780 N GLY A 112 12.740 -3.334 2.244 1.00 65.24 N ATOM 1781 CA GLY A 112 13.768 -2.336 2.473 1.00 43.44 C ATOM 1782 C GLY A 112 13.417 -0.992 1.865 1.00 13.13 C ATOM 1783 O GLY A 112 13.848 0.051 2.357 1.00 61.12 O ATOM 0 H GLY A 112 12.837 -3.857 1.374 1.00 65.24 H new ATOM 0 HA2 GLY A 112 13.922 -2.217 3.545 1.00 43.44 H new ATOM 0 HA3 GLY A 112 14.711 -2.687 2.052 1.00 43.44 H new ATOM 1787 N SER A 113 12.632 -1.016 0.792 1.00 24.15 N ATOM 1788 CA SER A 113 12.228 0.209 0.114 1.00 54.33 C ATOM 1789 C SER A 113 10.862 0.678 0.607 1.00 71.22 C ATOM 1790 O SER A 113 10.427 1.789 0.304 1.00 13.02 O ATOM 1791 CB SER A 113 12.188 -0.010 -1.400 1.00 23.11 C ATOM 1792 OG SER A 113 13.392 -0.599 -1.861 1.00 52.13 O ATOM 0 H SER A 113 12.264 -1.871 0.374 1.00 24.15 H new ATOM 0 HA SER A 113 12.963 0.981 0.343 1.00 54.33 H new ATOM 0 HB2 SER A 113 11.344 -0.651 -1.656 1.00 23.11 H new ATOM 0 HB3 SER A 113 12.029 0.943 -1.905 1.00 23.11 H new ATOM 0 HG SER A 113 13.271 -0.914 -2.781 1.00 52.13 H new ATOM 1798 N LYS A 114 10.190 -0.178 1.369 1.00 74.33 N ATOM 1799 CA LYS A 114 8.874 0.146 1.906 1.00 35.54 C ATOM 1800 C LYS A 114 8.883 1.514 2.581 1.00 71.40 C ATOM 1801 O LYS A 114 8.122 2.405 2.208 1.00 52.12 O ATOM 1802 CB LYS A 114 8.431 -0.925 2.906 1.00 11.04 C ATOM 1803 CG LYS A 114 7.199 -0.538 3.707 1.00 43.25 C ATOM 1804 CD LYS A 114 6.746 -1.669 4.615 1.00 41.43 C ATOM 1805 CE LYS A 114 7.257 -1.481 6.035 1.00 33.41 C ATOM 1806 NZ LYS A 114 6.591 -2.410 6.991 1.00 41.53 N ATOM 0 H LYS A 114 10.535 -1.102 1.629 1.00 74.33 H new ATOM 0 HA LYS A 114 8.168 0.175 1.076 1.00 35.54 H new ATOM 0 HB2 LYS A 114 8.228 -1.851 2.368 1.00 11.04 H new ATOM 0 HB3 LYS A 114 9.252 -1.130 3.594 1.00 11.04 H new ATOM 0 HG2 LYS A 114 7.417 0.346 4.306 1.00 43.25 H new ATOM 0 HG3 LYS A 114 6.391 -0.271 3.026 1.00 43.25 H new ATOM 0 HD2 LYS A 114 5.657 -1.717 4.622 1.00 41.43 H new ATOM 0 HD3 LYS A 114 7.105 -2.620 4.221 1.00 41.43 H new ATOM 0 HE2 LYS A 114 8.334 -1.646 6.058 1.00 33.41 H new ATOM 0 HE3 LYS A 114 7.086 -0.452 6.350 1.00 33.41 H new ATOM 0 HZ1 LYS A 114 6.966 -2.251 7.948 1.00 41.53 H new ATOM 0 HZ2 LYS A 114 5.566 -2.235 6.988 1.00 41.53 H new ATOM 0 HZ3 LYS A 114 6.776 -3.393 6.706 1.00 41.53 H new ATOM 1820 N ASN A 115 9.751 1.672 3.575 1.00 13.11 N ATOM 1821 CA ASN A 115 9.859 2.932 4.301 1.00 45.41 C ATOM 1822 C ASN A 115 10.071 4.098 3.339 1.00 23.41 C ATOM 1823 O ASN A 115 9.500 5.174 3.516 1.00 22.32 O ATOM 1824 CB ASN A 115 11.013 2.869 5.305 1.00 75.03 C ATOM 1825 CG ASN A 115 10.664 2.053 6.534 1.00 24.43 C ATOM 1826 OD1 ASN A 115 10.310 2.602 7.578 1.00 72.54 O ATOM 1827 ND2 ASN A 115 10.765 0.734 6.416 1.00 33.35 N ATOM 0 H ASN A 115 10.389 0.944 3.896 1.00 13.11 H new ATOM 0 HA ASN A 115 8.925 3.093 4.840 1.00 45.41 H new ATOM 0 HB2 ASN A 115 11.889 2.436 4.821 1.00 75.03 H new ATOM 0 HB3 ASN A 115 11.283 3.881 5.608 1.00 75.03 H new ATOM 0 HD21 ASN A 115 10.545 0.133 7.210 1.00 33.35 H new ATOM 0 HD22 ASN A 115 11.062 0.322 5.531 1.00 33.35 H new ATOM 1834 N ARG A 116 10.895 3.875 2.321 1.00 64.44 N ATOM 1835 CA ARG A 116 11.183 4.906 1.331 1.00 63.42 C ATOM 1836 C ARG A 116 9.919 5.298 0.571 1.00 25.20 C ATOM 1837 O ARG A 116 9.550 6.472 0.524 1.00 73.13 O ATOM 1838 CB ARG A 116 12.250 4.417 0.349 1.00 22.14 C ATOM 1839 CG ARG A 116 12.568 5.415 -0.751 1.00 44.44 C ATOM 1840 CD ARG A 116 13.405 6.573 -0.229 1.00 15.12 C ATOM 1841 NE ARG A 116 14.836 6.304 -0.330 1.00 23.40 N ATOM 1842 CZ ARG A 116 15.769 7.065 0.231 1.00 11.20 C ATOM 1843 NH1 ARG A 116 15.422 8.137 0.930 1.00 41.33 N ATOM 1844 NH2 ARG A 116 17.052 6.755 0.094 1.00 33.51 N ATOM 0 H ARG A 116 11.375 2.990 2.160 1.00 64.44 H new ATOM 0 HA ARG A 116 11.558 5.784 1.857 1.00 63.42 H new ATOM 0 HB2 ARG A 116 13.163 4.193 0.900 1.00 22.14 H new ATOM 0 HB3 ARG A 116 11.914 3.484 -0.104 1.00 22.14 H new ATOM 0 HG2 ARG A 116 13.103 4.912 -1.556 1.00 44.44 H new ATOM 0 HG3 ARG A 116 11.640 5.798 -1.176 1.00 44.44 H new ATOM 0 HD2 ARG A 116 13.165 7.476 -0.791 1.00 15.12 H new ATOM 0 HD3 ARG A 116 13.145 6.767 0.812 1.00 15.12 H new ATOM 0 HE ARG A 116 15.136 5.486 -0.861 1.00 23.40 H new ATOM 0 HH11 ARG A 116 14.437 8.379 1.038 1.00 41.33 H new ATOM 0 HH12 ARG A 116 16.140 8.720 1.360 1.00 41.33 H new ATOM 0 HH21 ARG A 116 17.323 5.931 -0.443 1.00 33.51 H new ATOM 0 HH22 ARG A 116 17.767 7.341 0.525 1.00 33.51 H new ATOM 1858 N LEU A 117 9.261 4.308 -0.023 1.00 3.34 N ATOM 1859 CA LEU A 117 8.039 4.549 -0.781 1.00 53.31 C ATOM 1860 C LEU A 117 6.976 5.207 0.094 1.00 71.34 C ATOM 1861 O LEU A 117 6.338 6.179 -0.311 1.00 61.20 O ATOM 1862 CB LEU A 117 7.503 3.236 -1.354 1.00 22.11 C ATOM 1863 CG LEU A 117 6.287 3.351 -2.274 1.00 2.23 C ATOM 1864 CD1 LEU A 117 5.062 3.789 -1.486 1.00 50.14 C ATOM 1865 CD2 LEU A 117 6.568 4.323 -3.410 1.00 45.14 C ATOM 0 H LEU A 117 9.554 3.331 0.006 1.00 3.34 H new ATOM 0 HA LEU A 117 8.278 5.226 -1.602 1.00 53.31 H new ATOM 0 HB2 LEU A 117 8.307 2.749 -1.907 1.00 22.11 H new ATOM 0 HB3 LEU A 117 7.244 2.579 -0.523 1.00 22.11 H new ATOM 0 HG LEU A 117 6.086 2.370 -2.704 1.00 2.23 H new ATOM 0 HD11 LEU A 117 4.206 3.866 -2.157 1.00 50.14 H new ATOM 0 HD12 LEU A 117 4.849 3.056 -0.708 1.00 50.14 H new ATOM 0 HD13 LEU A 117 5.252 4.760 -1.028 1.00 50.14 H new ATOM 0 HD21 LEU A 117 5.692 4.392 -4.055 1.00 45.14 H new ATOM 0 HD22 LEU A 117 6.795 5.307 -2.999 1.00 45.14 H new ATOM 0 HD23 LEU A 117 7.419 3.967 -3.991 1.00 45.14 H new ATOM 1877 N VAL A 118 6.792 4.671 1.296 1.00 31.30 N ATOM 1878 CA VAL A 118 5.809 5.207 2.230 1.00 60.01 C ATOM 1879 C VAL A 118 6.140 6.646 2.610 1.00 21.31 C ATOM 1880 O VAL A 118 5.305 7.540 2.480 1.00 73.13 O ATOM 1881 CB VAL A 118 5.728 4.355 3.510 1.00 30.23 C ATOM 1882 CG1 VAL A 118 4.858 5.039 4.553 1.00 14.22 C ATOM 1883 CG2 VAL A 118 5.199 2.964 3.192 1.00 41.42 C ATOM 0 H VAL A 118 7.311 3.866 1.646 1.00 31.30 H new ATOM 0 HA VAL A 118 4.844 5.181 1.724 1.00 60.01 H new ATOM 0 HB VAL A 118 6.732 4.252 3.921 1.00 30.23 H new ATOM 0 HG11 VAL A 118 4.813 4.422 5.450 1.00 14.22 H new ATOM 0 HG12 VAL A 118 5.284 6.011 4.802 1.00 14.22 H new ATOM 0 HG13 VAL A 118 3.852 5.175 4.155 1.00 14.22 H new ATOM 0 HG21 VAL A 118 5.148 2.376 4.108 1.00 41.42 H new ATOM 0 HG22 VAL A 118 4.203 3.044 2.757 1.00 41.42 H new ATOM 0 HG23 VAL A 118 5.866 2.474 2.483 1.00 41.42 H new ATOM 1893 N GLN A 119 7.365 6.861 3.080 1.00 35.14 N ATOM 1894 CA GLN A 119 7.806 8.192 3.480 1.00 71.11 C ATOM 1895 C GLN A 119 7.560 9.204 2.366 1.00 14.21 C ATOM 1896 O GLN A 119 7.315 10.383 2.626 1.00 31.10 O ATOM 1897 CB GLN A 119 9.291 8.171 3.847 1.00 13.01 C ATOM 1898 CG GLN A 119 9.557 7.746 5.282 1.00 15.12 C ATOM 1899 CD GLN A 119 10.078 8.882 6.140 1.00 22.11 C ATOM 1900 OE1 GLN A 119 10.365 9.971 5.642 1.00 70.35 O ATOM 1901 NE2 GLN A 119 10.204 8.634 7.439 1.00 60.14 N ATOM 0 H GLN A 119 8.069 6.131 3.193 1.00 35.14 H new ATOM 0 HA GLN A 119 7.227 8.492 4.353 1.00 71.11 H new ATOM 0 HB2 GLN A 119 9.814 7.492 3.173 1.00 13.01 H new ATOM 0 HB3 GLN A 119 9.710 9.164 3.687 1.00 13.01 H new ATOM 0 HG2 GLN A 119 8.637 7.359 5.719 1.00 15.12 H new ATOM 0 HG3 GLN A 119 10.280 6.931 5.287 1.00 15.12 H new ATOM 0 HE21 GLN A 119 9.954 7.717 7.810 1.00 60.14 H new ATOM 0 HE22 GLN A 119 10.550 9.361 8.066 1.00 60.14 H new ATOM 1910 N THR A 120 7.626 8.737 1.123 1.00 1.21 N ATOM 1911 CA THR A 120 7.412 9.602 -0.031 1.00 30.44 C ATOM 1912 C THR A 120 5.957 10.046 -0.122 1.00 74.33 C ATOM 1913 O THR A 120 5.670 11.215 -0.376 1.00 55.11 O ATOM 1914 CB THR A 120 7.805 8.896 -1.342 1.00 61.30 C ATOM 1915 OG1 THR A 120 9.043 8.196 -1.170 1.00 53.41 O ATOM 1916 CG2 THR A 120 7.937 9.899 -2.478 1.00 22.10 C ATOM 0 H THR A 120 7.826 7.764 0.890 1.00 1.21 H new ATOM 0 HA THR A 120 8.048 10.477 0.106 1.00 30.44 H new ATOM 0 HB THR A 120 7.019 8.185 -1.596 1.00 61.30 H new ATOM 0 HG1 THR A 120 8.876 7.343 -0.717 1.00 53.41 H new ATOM 0 HG21 THR A 120 8.215 9.377 -3.394 1.00 22.10 H new ATOM 0 HG22 THR A 120 6.985 10.409 -2.626 1.00 22.10 H new ATOM 0 HG23 THR A 120 8.706 10.631 -2.230 1.00 22.10 H new ATOM 1924 N ALA A 121 5.041 9.105 0.087 1.00 64.15 N ATOM 1925 CA ALA A 121 3.615 9.401 0.030 1.00 22.40 C ATOM 1926 C ALA A 121 3.159 10.143 1.281 1.00 15.12 C ATOM 1927 O ALA A 121 2.055 10.687 1.323 1.00 64.41 O ATOM 1928 CB ALA A 121 2.817 8.117 -0.146 1.00 13.54 C ATOM 0 H ALA A 121 5.262 8.132 0.297 1.00 64.15 H new ATOM 0 HA ALA A 121 3.436 10.047 -0.829 1.00 22.40 H new ATOM 0 HB1 ALA A 121 1.753 8.352 -0.187 1.00 13.54 H new ATOM 0 HB2 ALA A 121 3.116 7.627 -1.072 1.00 13.54 H new ATOM 0 HB3 ALA A 121 3.009 7.451 0.695 1.00 13.54 H new ATOM 1934 N GLU A 122 4.014 10.161 2.299 1.00 60.13 N ATOM 1935 CA GLU A 122 3.696 10.836 3.551 1.00 30.15 C ATOM 1936 C GLU A 122 2.490 10.189 4.227 1.00 24.23 C ATOM 1937 O GLU A 122 1.524 10.867 4.580 1.00 23.54 O ATOM 1938 CB GLU A 122 3.419 12.320 3.301 1.00 34.40 C ATOM 1939 CG GLU A 122 4.042 13.239 4.338 1.00 33.11 C ATOM 1940 CD GLU A 122 3.478 13.017 5.728 1.00 14.51 C ATOM 1941 OE1 GLU A 122 2.442 13.634 6.054 1.00 52.03 O ATOM 1942 OE2 GLU A 122 4.073 12.227 6.490 1.00 34.21 O ATOM 0 H GLU A 122 4.932 9.716 2.281 1.00 60.13 H new ATOM 0 HA GLU A 122 4.556 10.741 4.213 1.00 30.15 H new ATOM 0 HB2 GLU A 122 3.797 12.590 2.315 1.00 34.40 H new ATOM 0 HB3 GLU A 122 2.341 12.482 3.285 1.00 34.40 H new ATOM 0 HG2 GLU A 122 5.120 13.080 4.358 1.00 33.11 H new ATOM 0 HG3 GLU A 122 3.878 14.276 4.045 1.00 33.11 H new ATOM 1949 N LEU A 123 2.554 8.874 4.404 1.00 71.33 N ATOM 1950 CA LEU A 123 1.468 8.133 5.037 1.00 50.34 C ATOM 1951 C LEU A 123 1.791 7.835 6.497 1.00 22.11 C ATOM 1952 O LEU A 123 2.687 7.046 6.798 1.00 64.52 O ATOM 1953 CB LEU A 123 1.207 6.828 4.283 1.00 23.11 C ATOM 1954 CG LEU A 123 0.912 6.963 2.789 1.00 62.12 C ATOM 1955 CD1 LEU A 123 1.030 5.614 2.097 1.00 23.44 C ATOM 1956 CD2 LEU A 123 -0.471 7.557 2.570 1.00 55.10 C ATOM 0 H LEU A 123 3.346 8.299 4.118 1.00 71.33 H new ATOM 0 HA LEU A 123 0.571 8.751 5.002 1.00 50.34 H new ATOM 0 HB2 LEU A 123 2.076 6.182 4.404 1.00 23.11 H new ATOM 0 HB3 LEU A 123 0.365 6.321 4.755 1.00 23.11 H new ATOM 0 HG LEU A 123 1.649 7.638 2.353 1.00 62.12 H new ATOM 0 HD11 LEU A 123 0.817 5.730 1.034 1.00 23.44 H new ATOM 0 HD12 LEU A 123 2.041 5.227 2.224 1.00 23.44 H new ATOM 0 HD13 LEU A 123 0.317 4.916 2.536 1.00 23.44 H new ATOM 0 HD21 LEU A 123 -0.664 7.646 1.501 1.00 55.10 H new ATOM 0 HD22 LEU A 123 -1.221 6.908 3.021 1.00 55.10 H new ATOM 0 HD23 LEU A 123 -0.520 8.544 3.031 1.00 55.10 H new ATOM 1968 N THR A 124 1.054 8.470 7.403 1.00 72.11 N ATOM 1969 CA THR A 124 1.261 8.272 8.832 1.00 52.11 C ATOM 1970 C THR A 124 0.715 6.923 9.285 1.00 63.42 C ATOM 1971 O THR A 124 1.023 6.453 10.380 1.00 21.44 O ATOM 1972 CB THR A 124 0.590 9.387 9.656 1.00 20.04 C ATOM 1973 OG1 THR A 124 0.612 9.048 11.047 1.00 15.15 O ATOM 1974 CG2 THR A 124 -0.846 9.605 9.204 1.00 31.25 C ATOM 0 H THR A 124 0.308 9.126 7.172 1.00 72.11 H new ATOM 0 HA THR A 124 2.337 8.301 9.003 1.00 52.11 H new ATOM 0 HB THR A 124 1.147 10.311 9.499 1.00 20.04 H new ATOM 0 HG1 THR A 124 0.185 9.762 11.565 1.00 15.15 H new ATOM 0 HG21 THR A 124 -1.299 10.397 9.800 1.00 31.25 H new ATOM 0 HG22 THR A 124 -0.857 9.891 8.152 1.00 31.25 H new ATOM 0 HG23 THR A 124 -1.413 8.683 9.335 1.00 31.25 H new ATOM 1982 N LYS A 125 -0.096 6.302 8.435 1.00 50.21 N ATOM 1983 CA LYS A 125 -0.684 5.005 8.746 1.00 23.42 C ATOM 1984 C LYS A 125 -0.146 3.926 7.812 1.00 24.50 C ATOM 1985 O LYS A 125 -0.357 3.977 6.600 1.00 13.24 O ATOM 1986 CB LYS A 125 -2.209 5.073 8.638 1.00 3.34 C ATOM 1987 CG LYS A 125 -2.831 6.162 9.496 1.00 64.21 C ATOM 1988 CD LYS A 125 -4.337 5.992 9.607 1.00 44.34 C ATOM 1989 CE LYS A 125 -5.067 6.780 8.530 1.00 43.14 C ATOM 1990 NZ LYS A 125 -5.777 7.962 9.092 1.00 32.33 N ATOM 0 H LYS A 125 -0.361 6.677 7.524 1.00 50.21 H new ATOM 0 HA LYS A 125 -0.410 4.746 9.769 1.00 23.42 H new ATOM 0 HB2 LYS A 125 -2.484 5.241 7.597 1.00 3.34 H new ATOM 0 HB3 LYS A 125 -2.629 4.110 8.927 1.00 3.34 H new ATOM 0 HG2 LYS A 125 -2.387 6.140 10.491 1.00 64.21 H new ATOM 0 HG3 LYS A 125 -2.605 7.138 9.067 1.00 64.21 H new ATOM 0 HD2 LYS A 125 -4.592 4.936 9.523 1.00 44.34 H new ATOM 0 HD3 LYS A 125 -4.670 6.323 10.591 1.00 44.34 H new ATOM 0 HE2 LYS A 125 -4.353 7.110 7.775 1.00 43.14 H new ATOM 0 HE3 LYS A 125 -5.784 6.130 8.028 1.00 43.14 H new ATOM 0 HZ1 LYS A 125 -6.262 8.472 8.326 1.00 32.33 H new ATOM 0 HZ2 LYS A 125 -6.476 7.646 9.794 1.00 32.33 H new ATOM 0 HZ3 LYS A 125 -5.090 8.595 9.549 1.00 32.33 H new ATOM 2004 N VAL A 126 0.550 2.948 8.383 1.00 23.45 N ATOM 2005 CA VAL A 126 1.116 1.855 7.602 1.00 23.40 C ATOM 2006 C VAL A 126 0.789 0.504 8.229 1.00 71.13 C ATOM 2007 O VAL A 126 1.059 0.272 9.407 1.00 2.33 O ATOM 2008 CB VAL A 126 2.645 1.991 7.472 1.00 60.42 C ATOM 2009 CG1 VAL A 126 3.184 1.002 6.449 1.00 1.20 C ATOM 2010 CG2 VAL A 126 3.023 3.416 7.098 1.00 13.14 C ATOM 0 H VAL A 126 0.735 2.891 9.384 1.00 23.45 H new ATOM 0 HA VAL A 126 0.668 1.910 6.610 1.00 23.40 H new ATOM 0 HB VAL A 126 3.096 1.761 8.437 1.00 60.42 H new ATOM 0 HG11 VAL A 126 4.266 1.113 6.371 1.00 1.20 H new ATOM 0 HG12 VAL A 126 2.945 -0.014 6.764 1.00 1.20 H new ATOM 0 HG13 VAL A 126 2.728 1.198 5.478 1.00 1.20 H new ATOM 0 HG21 VAL A 126 4.107 3.494 7.010 1.00 13.14 H new ATOM 0 HG22 VAL A 126 2.562 3.676 6.145 1.00 13.14 H new ATOM 0 HG23 VAL A 126 2.671 4.100 7.870 1.00 13.14 H new ATOM 2020 N PHE A 127 0.205 -0.386 7.432 1.00 2.45 N ATOM 2021 CA PHE A 127 -0.160 -1.715 7.909 1.00 11.50 C ATOM 2022 C PHE A 127 0.473 -2.797 7.040 1.00 62.11 C ATOM 2023 O PHE A 127 0.791 -2.564 5.874 1.00 30.03 O ATOM 2024 CB PHE A 127 -1.682 -1.876 7.917 1.00 64.30 C ATOM 2025 CG PHE A 127 -2.392 -0.825 8.722 1.00 60.55 C ATOM 2026 CD1 PHE A 127 -1.957 -0.498 9.996 1.00 73.13 C ATOM 2027 CD2 PHE A 127 -3.495 -0.166 8.204 1.00 42.53 C ATOM 2028 CE1 PHE A 127 -2.608 0.469 10.739 1.00 75.34 C ATOM 2029 CE2 PHE A 127 -4.150 0.802 8.942 1.00 44.33 C ATOM 2030 CZ PHE A 127 -3.707 1.119 10.211 1.00 23.11 C ATOM 0 H PHE A 127 -0.025 -0.211 6.454 1.00 2.45 H new ATOM 0 HA PHE A 127 0.216 -1.825 8.926 1.00 11.50 H new ATOM 0 HB2 PHE A 127 -2.048 -1.845 6.891 1.00 64.30 H new ATOM 0 HB3 PHE A 127 -1.933 -2.859 8.316 1.00 64.30 H new ATOM 0 HD1 PHE A 127 -1.099 -1.004 10.414 1.00 73.13 H new ATOM 0 HD2 PHE A 127 -3.847 -0.411 7.213 1.00 42.53 H new ATOM 0 HE1 PHE A 127 -2.258 0.716 11.730 1.00 75.34 H new ATOM 0 HE2 PHE A 127 -5.008 1.310 8.526 1.00 44.33 H new ATOM 0 HZ PHE A 127 -4.219 1.874 10.790 1.00 23.11 H new ATOM 2040 N GLU A 128 0.653 -3.981 7.617 1.00 4.03 N ATOM 2041 CA GLU A 128 1.250 -5.099 6.896 1.00 40.01 C ATOM 2042 C GLU A 128 0.316 -6.306 6.894 1.00 1.21 C ATOM 2043 O GLU A 128 -0.014 -6.850 7.948 1.00 23.03 O ATOM 2044 CB GLU A 128 2.593 -5.480 7.522 1.00 30.41 C ATOM 2045 CG GLU A 128 3.449 -6.368 6.634 1.00 53.33 C ATOM 2046 CD GLU A 128 3.256 -7.843 6.924 1.00 72.41 C ATOM 2047 OE1 GLU A 128 3.435 -8.246 8.093 1.00 42.04 O ATOM 2048 OE2 GLU A 128 2.926 -8.596 5.983 1.00 10.53 O ATOM 0 H GLU A 128 0.394 -4.191 8.581 1.00 4.03 H new ATOM 0 HA GLU A 128 1.414 -4.787 5.865 1.00 40.01 H new ATOM 0 HB2 GLU A 128 3.147 -4.570 7.754 1.00 30.41 H new ATOM 0 HB3 GLU A 128 2.412 -5.992 8.467 1.00 30.41 H new ATOM 0 HG2 GLU A 128 3.207 -6.172 5.589 1.00 53.33 H new ATOM 0 HG3 GLU A 128 4.499 -6.109 6.772 1.00 53.33 H new ATOM 2055 N ILE A 129 -0.106 -6.718 5.704 1.00 54.44 N ATOM 2056 CA ILE A 129 -1.001 -7.860 5.564 1.00 15.43 C ATOM 2057 C ILE A 129 -0.222 -9.137 5.270 1.00 43.41 C ATOM 2058 O ILE A 129 0.484 -9.227 4.265 1.00 32.41 O ATOM 2059 CB ILE A 129 -2.034 -7.632 4.444 1.00 20.34 C ATOM 2060 CG1 ILE A 129 -1.359 -7.018 3.216 1.00 75.31 C ATOM 2061 CG2 ILE A 129 -3.162 -6.739 4.938 1.00 74.03 C ATOM 2062 CD1 ILE A 129 -2.082 -7.312 1.920 1.00 51.11 C ATOM 0 H ILE A 129 0.157 -6.278 4.822 1.00 54.44 H new ATOM 0 HA ILE A 129 -1.525 -7.968 6.514 1.00 15.43 H new ATOM 0 HB ILE A 129 -2.458 -8.595 4.159 1.00 20.34 H new ATOM 0 HG12 ILE A 129 -1.293 -5.938 3.349 1.00 75.31 H new ATOM 0 HG13 ILE A 129 -0.338 -7.393 3.147 1.00 75.31 H new ATOM 0 HG21 ILE A 129 -3.884 -6.587 4.136 1.00 74.03 H new ATOM 0 HG22 ILE A 129 -3.656 -7.213 5.786 1.00 74.03 H new ATOM 0 HG23 ILE A 129 -2.755 -5.776 5.247 1.00 74.03 H new ATOM 0 HD11 ILE A 129 -1.548 -6.846 1.092 1.00 51.11 H new ATOM 0 HD12 ILE A 129 -2.125 -8.390 1.764 1.00 51.11 H new ATOM 0 HD13 ILE A 129 -3.095 -6.912 1.970 1.00 51.11 H new ATOM 2074 N ARG A 130 -0.355 -10.122 6.152 1.00 13.41 N ATOM 2075 CA ARG A 130 0.336 -11.394 5.987 1.00 63.34 C ATOM 2076 C ARG A 130 -0.204 -12.154 4.778 1.00 1.52 C ATOM 2077 O ARG A 130 0.350 -13.177 4.376 1.00 74.43 O ATOM 2078 CB ARG A 130 0.187 -12.248 7.247 1.00 14.03 C ATOM 2079 CG ARG A 130 0.846 -13.613 7.140 1.00 73.41 C ATOM 2080 CD ARG A 130 2.330 -13.493 6.833 1.00 41.12 C ATOM 2081 NE ARG A 130 3.053 -14.727 7.131 1.00 54.33 N ATOM 2082 CZ ARG A 130 3.232 -15.194 8.361 1.00 70.40 C ATOM 2083 NH1 ARG A 130 2.744 -14.535 9.402 1.00 14.13 N ATOM 2084 NH2 ARG A 130 3.901 -16.325 8.551 1.00 13.44 N ATOM 0 H ARG A 130 -0.936 -10.063 6.989 1.00 13.41 H new ATOM 0 HA ARG A 130 1.393 -11.185 5.821 1.00 63.34 H new ATOM 0 HB2 ARG A 130 0.618 -11.711 8.092 1.00 14.03 H new ATOM 0 HB3 ARG A 130 -0.873 -12.382 7.461 1.00 14.03 H new ATOM 0 HG2 ARG A 130 0.710 -14.158 8.074 1.00 73.41 H new ATOM 0 HG3 ARG A 130 0.357 -14.194 6.358 1.00 73.41 H new ATOM 0 HD2 ARG A 130 2.463 -13.240 5.781 1.00 41.12 H new ATOM 0 HD3 ARG A 130 2.755 -12.675 7.414 1.00 41.12 H new ATOM 0 HE ARG A 130 3.441 -15.259 6.352 1.00 54.33 H new ATOM 0 HH11 ARG A 130 2.229 -13.666 9.260 1.00 14.13 H new ATOM 0 HH12 ARG A 130 2.883 -14.897 10.345 1.00 14.13 H new ATOM 0 HH21 ARG A 130 4.278 -16.835 7.752 1.00 13.44 H new ATOM 0 HH22 ARG A 130 4.038 -16.684 9.496 1.00 13.44 H new ATOM 2098 N THR A 131 -1.289 -11.645 4.203 1.00 34.11 N ATOM 2099 CA THR A 131 -1.906 -12.275 3.042 1.00 24.24 C ATOM 2100 C THR A 131 -3.135 -11.500 2.584 1.00 53.20 C ATOM 2101 O THR A 131 -3.834 -10.887 3.393 1.00 63.25 O ATOM 2102 CB THR A 131 -2.313 -13.730 3.343 1.00 63.10 C ATOM 2103 OG1 THR A 131 -2.960 -14.304 2.202 1.00 42.55 O ATOM 2104 CG2 THR A 131 -3.243 -13.794 4.545 1.00 24.41 C ATOM 0 H THR A 131 -1.759 -10.798 4.522 1.00 34.11 H new ATOM 0 HA THR A 131 -1.161 -12.271 2.247 1.00 24.24 H new ATOM 0 HB THR A 131 -1.410 -14.297 3.571 1.00 63.10 H new ATOM 0 HG1 THR A 131 -3.214 -15.229 2.401 1.00 42.55 H new ATOM 0 HG21 THR A 131 -3.517 -14.831 4.738 1.00 24.41 H new ATOM 0 HG22 THR A 131 -2.737 -13.383 5.419 1.00 24.41 H new ATOM 0 HG23 THR A 131 -4.142 -13.213 4.340 1.00 24.41 H new ATOM 2112 N THR A 132 -3.397 -11.530 1.281 1.00 63.13 N ATOM 2113 CA THR A 132 -4.542 -10.830 0.714 1.00 14.35 C ATOM 2114 C THR A 132 -5.800 -11.077 1.539 1.00 14.43 C ATOM 2115 O THR A 132 -6.520 -10.140 1.887 1.00 70.02 O ATOM 2116 CB THR A 132 -4.803 -11.263 -0.740 1.00 60.25 C ATOM 2117 OG1 THR A 132 -4.915 -12.689 -0.814 1.00 50.23 O ATOM 2118 CG2 THR A 132 -3.683 -10.789 -1.655 1.00 75.40 C ATOM 0 H THR A 132 -2.830 -12.033 0.598 1.00 63.13 H new ATOM 0 HA THR A 132 -4.302 -9.767 0.730 1.00 14.35 H new ATOM 0 HB THR A 132 -5.737 -10.808 -1.069 1.00 60.25 H new ATOM 0 HG1 THR A 132 -5.083 -12.956 -1.742 1.00 50.23 H new ATOM 0 HG21 THR A 132 -3.889 -11.107 -2.677 1.00 75.40 H new ATOM 0 HG22 THR A 132 -3.619 -9.701 -1.619 1.00 75.40 H new ATOM 0 HG23 THR A 132 -2.737 -11.219 -1.325 1.00 75.40 H new ATOM 2126 N ASP A 133 -6.059 -12.342 1.850 1.00 14.21 N ATOM 2127 CA ASP A 133 -7.231 -12.712 2.636 1.00 4.34 C ATOM 2128 C ASP A 133 -7.448 -11.729 3.783 1.00 24.10 C ATOM 2129 O ASP A 133 -8.580 -11.349 4.082 1.00 42.32 O ATOM 2130 CB ASP A 133 -7.075 -14.130 3.187 1.00 62.35 C ATOM 2131 CG ASP A 133 -7.471 -15.190 2.177 1.00 44.53 C ATOM 2132 OD1 ASP A 133 -8.677 -15.499 2.083 1.00 51.22 O ATOM 2133 OD2 ASP A 133 -6.574 -15.709 1.480 1.00 51.43 O ATOM 0 H ASP A 133 -5.473 -13.129 1.570 1.00 14.21 H new ATOM 0 HA ASP A 133 -8.102 -12.678 1.982 1.00 4.34 H new ATOM 0 HB2 ASP A 133 -6.039 -14.288 3.488 1.00 62.35 H new ATOM 0 HB3 ASP A 133 -7.687 -14.238 4.082 1.00 62.35 H new ATOM 2138 N ASP A 134 -6.356 -11.323 4.422 1.00 30.30 N ATOM 2139 CA ASP A 134 -6.427 -10.385 5.536 1.00 4.02 C ATOM 2140 C ASP A 134 -7.135 -9.100 5.120 1.00 10.41 C ATOM 2141 O ASP A 134 -7.948 -8.556 5.869 1.00 42.31 O ATOM 2142 CB ASP A 134 -5.022 -10.064 6.051 1.00 74.54 C ATOM 2143 CG ASP A 134 -4.910 -10.210 7.555 1.00 1.05 C ATOM 2144 OD1 ASP A 134 -5.824 -9.742 8.266 1.00 23.22 O ATOM 2145 OD2 ASP A 134 -3.908 -10.791 8.022 1.00 5.25 O ATOM 0 H ASP A 134 -5.412 -11.629 4.188 1.00 30.30 H new ATOM 0 HA ASP A 134 -7.001 -10.852 6.336 1.00 4.02 H new ATOM 0 HB2 ASP A 134 -4.302 -10.726 5.570 1.00 74.54 H new ATOM 0 HB3 ASP A 134 -4.758 -9.045 5.767 1.00 74.54 H new ATOM 2150 N LEU A 135 -6.821 -8.618 3.922 1.00 30.34 N ATOM 2151 CA LEU A 135 -7.427 -7.396 3.406 1.00 3.44 C ATOM 2152 C LEU A 135 -8.938 -7.550 3.275 1.00 35.21 C ATOM 2153 O LEU A 135 -9.450 -7.876 2.203 1.00 10.12 O ATOM 2154 CB LEU A 135 -6.820 -7.036 2.049 1.00 4.22 C ATOM 2155 CG LEU A 135 -7.569 -5.978 1.238 1.00 4.11 C ATOM 2156 CD1 LEU A 135 -8.044 -4.850 2.141 1.00 23.32 C ATOM 2157 CD2 LEU A 135 -6.685 -5.435 0.124 1.00 21.33 C ATOM 0 H LEU A 135 -6.150 -9.055 3.290 1.00 30.34 H new ATOM 0 HA LEU A 135 -7.223 -6.592 4.113 1.00 3.44 H new ATOM 0 HB2 LEU A 135 -5.800 -6.686 2.211 1.00 4.22 H new ATOM 0 HB3 LEU A 135 -6.754 -7.945 1.450 1.00 4.22 H new ATOM 0 HG LEU A 135 -8.443 -6.447 0.786 1.00 4.11 H new ATOM 0 HD11 LEU A 135 -8.575 -4.107 1.546 1.00 23.32 H new ATOM 0 HD12 LEU A 135 -8.713 -5.251 2.902 1.00 23.32 H new ATOM 0 HD13 LEU A 135 -7.185 -4.383 2.623 1.00 23.32 H new ATOM 0 HD21 LEU A 135 -7.234 -4.683 -0.443 1.00 21.33 H new ATOM 0 HD22 LEU A 135 -5.792 -4.983 0.556 1.00 21.33 H new ATOM 0 HD23 LEU A 135 -6.395 -6.249 -0.540 1.00 21.33 H new ATOM 2169 N THR A 136 -9.650 -7.312 4.373 1.00 71.34 N ATOM 2170 CA THR A 136 -11.103 -7.424 4.380 1.00 12.24 C ATOM 2171 C THR A 136 -11.750 -6.145 4.899 1.00 10.34 C ATOM 2172 O THR A 136 -11.181 -5.448 5.738 1.00 0.55 O ATOM 2173 CB THR A 136 -11.571 -8.610 5.245 1.00 0.42 C ATOM 2174 OG1 THR A 136 -10.742 -8.726 6.407 1.00 11.41 O ATOM 2175 CG2 THR A 136 -11.527 -9.908 4.453 1.00 11.51 C ATOM 0 H THR A 136 -9.243 -7.041 5.268 1.00 71.34 H new ATOM 0 HA THR A 136 -11.412 -7.592 3.348 1.00 12.24 H new ATOM 0 HB THR A 136 -12.601 -8.424 5.551 1.00 0.42 H new ATOM 0 HG1 THR A 136 -9.804 -8.804 6.133 1.00 11.41 H new ATOM 0 HG21 THR A 136 -11.862 -10.731 5.084 1.00 11.51 H new ATOM 0 HG22 THR A 136 -12.182 -9.827 3.585 1.00 11.51 H new ATOM 0 HG23 THR A 136 -10.506 -10.097 4.121 1.00 11.51 H new ATOM 2183 N GLU A 137 -12.943 -5.843 4.395 1.00 25.20 N ATOM 2184 CA GLU A 137 -13.666 -4.647 4.809 1.00 1.20 C ATOM 2185 C GLU A 137 -13.512 -4.410 6.309 1.00 53.34 C ATOM 2186 O GLU A 137 -13.363 -3.273 6.758 1.00 42.44 O ATOM 2187 CB GLU A 137 -15.148 -4.770 4.450 1.00 33.44 C ATOM 2188 CG GLU A 137 -15.968 -3.546 4.820 1.00 12.22 C ATOM 2189 CD GLU A 137 -17.345 -3.903 5.347 1.00 4.42 C ATOM 2190 OE1 GLU A 137 -17.428 -4.752 6.259 1.00 31.00 O ATOM 2191 OE2 GLU A 137 -18.338 -3.333 4.848 1.00 25.32 O ATOM 0 H GLU A 137 -13.428 -6.410 3.700 1.00 25.20 H new ATOM 0 HA GLU A 137 -13.241 -3.795 4.279 1.00 1.20 H new ATOM 0 HB2 GLU A 137 -15.240 -4.948 3.379 1.00 33.44 H new ATOM 0 HB3 GLU A 137 -15.564 -5.642 4.955 1.00 33.44 H new ATOM 0 HG2 GLU A 137 -15.433 -2.969 5.574 1.00 12.22 H new ATOM 0 HG3 GLU A 137 -16.073 -2.906 3.944 1.00 12.22 H new ATOM 2198 N THR A 138 -13.551 -5.492 7.080 1.00 3.20 N ATOM 2199 CA THR A 138 -13.418 -5.403 8.529 1.00 42.14 C ATOM 2200 C THR A 138 -11.968 -5.165 8.934 1.00 3.31 C ATOM 2201 O THR A 138 -11.632 -4.118 9.487 1.00 14.55 O ATOM 2202 CB THR A 138 -13.929 -6.682 9.219 1.00 4.41 C ATOM 2203 OG1 THR A 138 -15.194 -7.064 8.668 1.00 65.23 O ATOM 2204 CG2 THR A 138 -14.067 -6.468 10.719 1.00 71.21 C ATOM 0 H THR A 138 -13.674 -6.440 6.725 1.00 3.20 H new ATOM 0 HA THR A 138 -14.026 -4.557 8.851 1.00 42.14 H new ATOM 0 HB THR A 138 -13.204 -7.477 9.046 1.00 4.41 H new ATOM 0 HG1 THR A 138 -15.511 -7.879 9.111 1.00 65.23 H new ATOM 0 HG21 THR A 138 -14.429 -7.384 11.185 1.00 71.21 H new ATOM 0 HG22 THR A 138 -13.096 -6.206 11.140 1.00 71.21 H new ATOM 0 HG23 THR A 138 -14.774 -5.661 10.908 1.00 71.21 H new ATOM 2212 N TRP A 139 -11.112 -6.141 8.655 1.00 75.52 N ATOM 2213 CA TRP A 139 -9.697 -6.037 8.991 1.00 41.25 C ATOM 2214 C TRP A 139 -9.160 -4.649 8.659 1.00 11.22 C ATOM 2215 O TRP A 139 -8.172 -4.199 9.242 1.00 54.12 O ATOM 2216 CB TRP A 139 -8.894 -7.100 8.240 1.00 23.30 C ATOM 2217 CG TRP A 139 -7.434 -6.776 8.132 1.00 55.05 C ATOM 2218 CD1 TRP A 139 -6.417 -7.325 8.858 1.00 3.21 C ATOM 2219 CD2 TRP A 139 -6.831 -5.827 7.246 1.00 52.33 C ATOM 2220 NE1 TRP A 139 -5.217 -6.774 8.477 1.00 1.23 N ATOM 2221 CE2 TRP A 139 -5.444 -5.853 7.489 1.00 0.22 C ATOM 2222 CE3 TRP A 139 -7.327 -4.959 6.269 1.00 13.23 C ATOM 2223 CZ2 TRP A 139 -4.551 -5.043 6.792 1.00 22.51 C ATOM 2224 CZ3 TRP A 139 -6.440 -4.156 5.579 1.00 44.04 C ATOM 2225 CH2 TRP A 139 -5.064 -4.203 5.842 1.00 71.22 C ATOM 0 H TRP A 139 -11.373 -7.014 8.197 1.00 75.52 H new ATOM 0 HA TRP A 139 -9.591 -6.201 10.063 1.00 41.25 H new ATOM 0 HB2 TRP A 139 -9.010 -8.058 8.747 1.00 23.30 H new ATOM 0 HB3 TRP A 139 -9.308 -7.217 7.238 1.00 23.30 H new ATOM 0 HD1 TRP A 139 -6.538 -8.081 9.620 1.00 3.21 H new ATOM 0 HE1 TRP A 139 -4.305 -7.012 8.867 1.00 1.23 H new ATOM 0 HE3 TRP A 139 -8.385 -4.917 6.057 1.00 13.23 H new ATOM 0 HZ2 TRP A 139 -3.491 -5.077 6.994 1.00 22.51 H new ATOM 0 HZ3 TRP A 139 -6.813 -3.480 4.824 1.00 44.04 H new ATOM 0 HH2 TRP A 139 -4.396 -3.564 5.284 1.00 71.22 H new ATOM 2236 N LEU A 140 -9.816 -3.974 7.721 1.00 23.13 N ATOM 2237 CA LEU A 140 -9.404 -2.636 7.313 1.00 42.43 C ATOM 2238 C LEU A 140 -9.984 -1.578 8.246 1.00 35.44 C ATOM 2239 O LEU A 140 -9.248 -0.820 8.878 1.00 32.43 O ATOM 2240 CB LEU A 140 -9.847 -2.361 5.875 1.00 61.04 C ATOM 2241 CG LEU A 140 -9.780 -0.903 5.418 1.00 35.15 C ATOM 2242 CD1 LEU A 140 -11.061 -0.170 5.787 1.00 4.42 C ATOM 2243 CD2 LEU A 140 -8.571 -0.208 6.027 1.00 32.34 C ATOM 0 H LEU A 140 -10.635 -4.331 7.229 1.00 23.13 H new ATOM 0 HA LEU A 140 -8.317 -2.586 7.368 1.00 42.43 H new ATOM 0 HB2 LEU A 140 -9.229 -2.959 5.205 1.00 61.04 H new ATOM 0 HB3 LEU A 140 -10.873 -2.710 5.759 1.00 61.04 H new ATOM 0 HG LEU A 140 -9.675 -0.886 4.333 1.00 35.15 H new ATOM 0 HD11 LEU A 140 -10.996 0.866 5.454 1.00 4.42 H new ATOM 0 HD12 LEU A 140 -11.909 -0.654 5.303 1.00 4.42 H new ATOM 0 HD13 LEU A 140 -11.197 -0.196 6.868 1.00 4.42 H new ATOM 0 HD21 LEU A 140 -8.539 0.828 5.691 1.00 32.34 H new ATOM 0 HD22 LEU A 140 -8.645 -0.235 7.114 1.00 32.34 H new ATOM 0 HD23 LEU A 140 -7.661 -0.719 5.713 1.00 32.34 H new ATOM 2255 N LYS A 141 -11.310 -1.534 8.330 1.00 22.33 N ATOM 2256 CA LYS A 141 -11.991 -0.573 9.189 1.00 20.03 C ATOM 2257 C LYS A 141 -11.574 -0.754 10.645 1.00 13.25 C ATOM 2258 O LYS A 141 -11.719 0.158 11.459 1.00 31.00 O ATOM 2259 CB LYS A 141 -13.508 -0.727 9.059 1.00 50.10 C ATOM 2260 CG LYS A 141 -14.144 0.287 8.123 1.00 30.54 C ATOM 2261 CD LYS A 141 -15.288 -0.326 7.332 1.00 2.34 C ATOM 2262 CE LYS A 141 -16.639 0.069 7.909 1.00 4.23 C ATOM 2263 NZ LYS A 141 -17.129 -0.925 8.904 1.00 40.30 N ATOM 0 H LYS A 141 -11.934 -2.153 7.813 1.00 22.33 H new ATOM 0 HA LYS A 141 -11.705 0.429 8.869 1.00 20.03 H new ATOM 0 HB2 LYS A 141 -13.734 -1.731 8.701 1.00 50.10 H new ATOM 0 HB3 LYS A 141 -13.960 -0.632 10.046 1.00 50.10 H new ATOM 0 HG2 LYS A 141 -14.513 1.135 8.700 1.00 30.54 H new ATOM 0 HG3 LYS A 141 -13.391 0.672 7.436 1.00 30.54 H new ATOM 0 HD2 LYS A 141 -15.227 -0.004 6.293 1.00 2.34 H new ATOM 0 HD3 LYS A 141 -15.193 -1.412 7.335 1.00 2.34 H new ATOM 0 HE2 LYS A 141 -16.560 1.048 8.382 1.00 4.23 H new ATOM 0 HE3 LYS A 141 -17.365 0.163 7.102 1.00 4.23 H new ATOM 0 HZ1 LYS A 141 -18.052 -0.620 9.274 1.00 40.30 H new ATOM 0 HZ2 LYS A 141 -17.229 -1.854 8.447 1.00 40.30 H new ATOM 0 HZ3 LYS A 141 -16.449 -0.996 9.687 1.00 40.30 H new ATOM 2277 N GLU A 142 -11.056 -1.935 10.966 1.00 64.13 N ATOM 2278 CA GLU A 142 -10.618 -2.233 12.324 1.00 24.42 C ATOM 2279 C GLU A 142 -9.369 -1.432 12.682 1.00 54.42 C ATOM 2280 O GLU A 142 -9.278 -0.852 13.764 1.00 15.12 O ATOM 2281 CB GLU A 142 -10.337 -3.730 12.476 1.00 1.24 C ATOM 2282 CG GLU A 142 -11.583 -4.560 12.733 1.00 55.13 C ATOM 2283 CD GLU A 142 -11.271 -5.902 13.364 1.00 23.54 C ATOM 2284 OE1 GLU A 142 -10.283 -6.540 12.942 1.00 33.33 O ATOM 2285 OE2 GLU A 142 -12.013 -6.315 14.280 1.00 64.41 O ATOM 0 H GLU A 142 -10.929 -2.701 10.304 1.00 64.13 H new ATOM 0 HA GLU A 142 -11.419 -1.949 13.007 1.00 24.42 H new ATOM 0 HB2 GLU A 142 -9.849 -4.093 11.572 1.00 1.24 H new ATOM 0 HB3 GLU A 142 -9.636 -3.878 13.298 1.00 1.24 H new ATOM 0 HG2 GLU A 142 -12.257 -4.004 13.385 1.00 55.13 H new ATOM 0 HG3 GLU A 142 -12.109 -4.719 11.792 1.00 55.13 H new ATOM 2292 N LYS A 143 -8.408 -1.404 11.765 1.00 55.24 N ATOM 2293 CA LYS A 143 -7.165 -0.674 11.980 1.00 0.34 C ATOM 2294 C LYS A 143 -7.424 0.826 12.076 1.00 54.43 C ATOM 2295 O LYS A 143 -6.766 1.533 12.840 1.00 41.41 O ATOM 2296 CB LYS A 143 -6.178 -0.960 10.847 1.00 61.34 C ATOM 2297 CG LYS A 143 -5.869 -2.437 10.668 1.00 41.41 C ATOM 2298 CD LYS A 143 -4.467 -2.775 11.148 1.00 74.03 C ATOM 2299 CE LYS A 143 -3.822 -3.842 10.276 1.00 12.41 C ATOM 2300 NZ LYS A 143 -2.343 -3.876 10.446 1.00 72.52 N ATOM 0 H LYS A 143 -8.467 -1.879 10.864 1.00 55.24 H new ATOM 0 HA LYS A 143 -6.734 -1.012 12.923 1.00 0.34 H new ATOM 0 HB2 LYS A 143 -6.584 -0.567 9.915 1.00 61.34 H new ATOM 0 HB3 LYS A 143 -5.249 -0.424 11.042 1.00 61.34 H new ATOM 0 HG2 LYS A 143 -6.597 -3.032 11.220 1.00 41.41 H new ATOM 0 HG3 LYS A 143 -5.969 -2.706 9.616 1.00 41.41 H new ATOM 0 HD2 LYS A 143 -3.851 -1.875 11.139 1.00 74.03 H new ATOM 0 HD3 LYS A 143 -4.509 -3.123 12.180 1.00 74.03 H new ATOM 0 HE2 LYS A 143 -4.239 -4.817 10.527 1.00 12.41 H new ATOM 0 HE3 LYS A 143 -4.063 -3.651 9.230 1.00 12.41 H new ATOM 0 HZ1 LYS A 143 -1.917 -4.422 9.670 1.00 72.52 H new ATOM 0 HZ2 LYS A 143 -1.970 -2.905 10.433 1.00 72.52 H new ATOM 0 HZ3 LYS A 143 -2.108 -4.325 11.354 1.00 72.52 H new ATOM 2314 N LEU A 144 -8.388 1.306 11.297 1.00 2.21 N ATOM 2315 CA LEU A 144 -8.736 2.723 11.295 1.00 65.00 C ATOM 2316 C LEU A 144 -9.474 3.104 12.574 1.00 1.30 C ATOM 2317 O LEU A 144 -9.084 4.040 13.272 1.00 20.31 O ATOM 2318 CB LEU A 144 -9.598 3.055 10.076 1.00 34.32 C ATOM 2319 CG LEU A 144 -9.143 2.451 8.747 1.00 33.22 C ATOM 2320 CD1 LEU A 144 -10.141 2.771 7.646 1.00 54.45 C ATOM 2321 CD2 LEU A 144 -7.757 2.958 8.378 1.00 50.23 C ATOM 0 H LEU A 144 -8.942 0.735 10.659 1.00 2.21 H new ATOM 0 HA LEU A 144 -7.812 3.299 11.246 1.00 65.00 H new ATOM 0 HB2 LEU A 144 -10.616 2.721 10.274 1.00 34.32 H new ATOM 0 HB3 LEU A 144 -9.634 4.139 9.966 1.00 34.32 H new ATOM 0 HG LEU A 144 -9.093 1.368 8.860 1.00 33.22 H new ATOM 0 HD11 LEU A 144 -9.800 2.333 6.708 1.00 54.45 H new ATOM 0 HD12 LEU A 144 -11.115 2.358 7.907 1.00 54.45 H new ATOM 0 HD13 LEU A 144 -10.224 3.852 7.533 1.00 54.45 H new ATOM 0 HD21 LEU A 144 -7.449 2.518 7.430 1.00 50.23 H new ATOM 0 HD22 LEU A 144 -7.780 4.044 8.284 1.00 50.23 H new ATOM 0 HD23 LEU A 144 -7.047 2.676 9.156 1.00 50.23 H new ATOM 2333 N ALA A 145 -10.541 2.372 12.876 1.00 51.02 N ATOM 2334 CA ALA A 145 -11.331 2.631 14.073 1.00 74.30 C ATOM 2335 C ALA A 145 -10.439 3.026 15.245 1.00 53.32 C ATOM 2336 O ALA A 145 -10.410 4.188 15.650 1.00 0.23 O ATOM 2337 CB ALA A 145 -12.164 1.408 14.430 1.00 0.31 C ATOM 0 H ALA A 145 -10.878 1.595 12.308 1.00 51.02 H new ATOM 0 HA ALA A 145 -12.001 3.465 13.863 1.00 74.30 H new ATOM 0 HB1 ALA A 145 -12.749 1.615 15.326 1.00 0.31 H new ATOM 0 HB2 ALA A 145 -12.836 1.172 13.605 1.00 0.31 H new ATOM 0 HB3 ALA A 145 -11.505 0.560 14.615 1.00 0.31 H new