USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 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: B 180 HIS : no HE2:sc= -2.28! X(o=-2.3!,f=-2.7) USER MOD Set 1.2: B 186 GLN : amide:sc=-0.000205 K(o=-2.3,f=-3.7) USER MOD Single : B 134 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.29) USER MOD Single : B 137 SER OG : rot -37:sc= 0.588 USER MOD Single : B 138 SER OG : rot 85:sc= -2.45! USER MOD Single : B 140 ASN : amide:sc= -10.9! C(o=-11!,f=-19!) USER MOD Single : B 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 145 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.076) USER MOD Single : B 152 SER OG : rot 156:sc= 1.15 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 71:sc= 0.792 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 161 GLN : amide:sc= 0.7 K(o=0.7,f=-10!) USER MOD Single : B 162 LYS NZ :NH3+ -106:sc= 0.096 (180deg=-0.119) USER MOD Single : B 163 GLN : amide:sc= -0.0671 K(o=-0.067,f=-1.3!) USER MOD Single : B 166 LYS NZ :NH3+ -155:sc= -0.0915 (180deg=-0.588) USER MOD Single : B 173 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.12) USER MOD Single : B 176 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.0074) USER MOD Single : B 178 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.43) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 182 ASN : amide:sc= -0.514 K(o=-0.51,f=-9.1!) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 GLN : amide:sc=-0.00381 K(o=-0.0038,f=-1.1) USER MOD Single : B 195 LYS NZ :NH3+ 136:sc= 2.31 (180deg=1.29) USER MOD Single : B 197 GLN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= 0.102 K(o=0.1,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.069 -2.878 1.449 1.00 55.53 N ATOM 177 CA LEU B 129 -11.737 -3.288 1.868 1.00 45.21 C ATOM 178 C LEU B 129 -10.727 -3.424 0.703 1.00 33.52 C ATOM 179 O LEU B 129 -9.678 -2.806 0.755 1.00 22.43 O ATOM 180 CB LEU B 129 -11.744 -4.551 2.772 1.00 71.14 C ATOM 181 CG LEU B 129 -12.293 -4.401 4.210 1.00 72.10 C ATOM 182 CD1 LEU B 129 -13.781 -4.093 4.238 1.00 71.02 C ATOM 183 CD2 LEU B 129 -12.004 -5.650 5.006 1.00 45.41 C ATOM 0 HA LEU B 129 -11.380 -2.460 2.481 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.328 -5.321 2.268 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -10.721 -4.921 2.840 1.00 71.14 H new ATOM 0 HG LEU B 129 -11.783 -3.550 4.662 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -14.114 -3.998 5.272 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -13.969 -3.159 3.709 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -14.329 -4.901 3.753 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -12.394 -5.535 6.017 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -12.482 -6.505 4.528 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -10.927 -5.813 5.049 1.00 45.41 H new ATOM 195 N PRO B 130 -11.000 -4.227 -0.367 1.00 0.32 N ATOM 196 CA PRO B 130 -10.058 -4.371 -1.481 1.00 63.11 C ATOM 197 C PRO B 130 -9.704 -3.041 -2.126 1.00 21.50 C ATOM 198 O PRO B 130 -8.568 -2.808 -2.422 1.00 1.14 O ATOM 199 CB PRO B 130 -10.800 -5.248 -2.476 1.00 74.52 C ATOM 200 CG PRO B 130 -11.743 -6.019 -1.638 1.00 3.43 C ATOM 201 CD PRO B 130 -12.197 -5.057 -0.589 1.00 14.32 C ATOM 0 HA PRO B 130 -9.110 -4.789 -1.144 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -11.325 -4.650 -3.221 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -10.118 -5.904 -3.016 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.583 -6.389 -2.226 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -11.258 -6.888 -1.194 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -13.045 -4.461 -0.926 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.509 -5.569 0.321 1.00 14.32 H new ATOM 209 N ALA B 131 -10.679 -2.158 -2.275 1.00 12.31 N ATOM 210 CA ALA B 131 -10.470 -0.864 -2.947 1.00 41.31 C ATOM 211 C ALA B 131 -9.363 -0.040 -2.313 1.00 3.12 C ATOM 212 O ALA B 131 -8.571 0.575 -3.020 1.00 52.45 O ATOM 213 CB ALA B 131 -11.755 -0.071 -3.018 1.00 12.14 C ATOM 0 H ALA B 131 -11.631 -2.306 -1.941 1.00 12.31 H new ATOM 0 HA ALA B 131 -10.147 -1.096 -3.962 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.569 0.879 -3.519 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.501 -0.636 -3.577 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -12.123 0.117 -2.009 1.00 12.14 H new ATOM 219 N LEU B 132 -9.271 -0.073 -0.995 1.00 31.23 N ATOM 220 CA LEU B 132 -8.246 0.686 -0.305 1.00 71.30 C ATOM 221 C LEU B 132 -6.860 0.065 -0.536 1.00 32.55 C ATOM 222 O LEU B 132 -5.841 0.736 -0.434 1.00 34.51 O ATOM 223 CB LEU B 132 -8.601 0.879 1.210 1.00 34.00 C ATOM 224 CG LEU B 132 -8.738 -0.382 2.104 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.385 -0.960 2.548 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.649 -0.116 3.294 1.00 65.03 C ATOM 0 H LEU B 132 -9.888 -0.612 -0.387 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.207 1.689 -0.729 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.835 1.517 1.651 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.542 1.427 1.263 1.00 34.00 H new ATOM 0 HG LEU B 132 -9.202 -1.149 1.484 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.552 -1.840 3.170 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.804 -1.241 1.670 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.839 -0.210 3.120 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.726 -1.017 3.902 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.235 0.693 3.895 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.640 0.167 2.938 1.00 65.03 H new ATOM 238 N VAL B 133 -6.836 -1.233 -0.786 1.00 20.30 N ATOM 239 CA VAL B 133 -5.599 -1.925 -1.070 1.00 2.44 C ATOM 240 C VAL B 133 -5.211 -1.869 -2.551 1.00 41.43 C ATOM 241 O VAL B 133 -4.059 -1.816 -2.872 1.00 11.14 O ATOM 242 CB VAL B 133 -5.616 -3.401 -0.587 1.00 33.41 C ATOM 243 CG1 VAL B 133 -6.052 -4.366 -1.631 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.303 -3.812 -0.039 1.00 60.04 C ATOM 0 H VAL B 133 -7.665 -1.827 -0.797 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.840 -1.387 -0.502 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.362 -3.430 0.207 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -6.039 -5.376 -1.221 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -7.063 -4.119 -1.955 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.374 -4.311 -2.483 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.354 -4.850 0.288 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.539 -3.712 -0.810 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -4.048 -3.176 0.809 1.00 60.04 H new ATOM 254 N GLN B 134 -6.213 -1.905 -3.421 1.00 51.03 N ATOM 255 CA GLN B 134 -6.033 -2.124 -4.876 1.00 1.43 C ATOM 256 C GLN B 134 -4.911 -1.309 -5.518 1.00 10.22 C ATOM 257 O GLN B 134 -4.115 -1.842 -6.314 1.00 3.33 O ATOM 258 CB GLN B 134 -7.331 -1.952 -5.675 1.00 62.21 C ATOM 259 CG GLN B 134 -8.399 -2.995 -5.398 1.00 72.32 C ATOM 260 CD GLN B 134 -7.972 -4.410 -5.728 1.00 12.24 C ATOM 261 OE1 GLN B 134 -7.410 -5.119 -4.891 1.00 42.42 O ATOM 262 NE2 GLN B 134 -8.264 -4.844 -6.927 1.00 42.35 N ATOM 0 H GLN B 134 -7.188 -1.783 -3.147 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.726 -3.168 -4.929 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.743 -0.966 -5.461 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -7.091 -1.973 -6.738 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.677 -2.946 -4.345 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -9.291 -2.751 -5.975 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.730 -4.228 -7.593 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -8.026 -5.799 -7.196 1.00 42.35 H new ATOM 271 N LEU B 135 -4.853 -0.047 -5.171 1.00 31.00 N ATOM 272 CA LEU B 135 -3.844 0.881 -5.672 1.00 53.40 C ATOM 273 C LEU B 135 -2.430 0.418 -5.374 1.00 44.52 C ATOM 274 O LEU B 135 -1.557 0.607 -6.176 1.00 61.22 O ATOM 275 CB LEU B 135 -4.027 2.292 -5.097 1.00 12.34 C ATOM 276 CG LEU B 135 -4.134 2.411 -3.568 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.626 3.772 -3.110 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.591 2.239 -3.136 1.00 52.53 C ATOM 0 H LEU B 135 -5.513 0.381 -4.522 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.987 0.906 -6.752 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -3.188 2.904 -5.427 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.928 2.723 -5.535 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.525 1.631 -3.112 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -3.707 3.844 -2.025 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.583 3.889 -3.405 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.224 4.558 -3.572 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -5.661 2.324 -2.052 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.202 3.012 -3.601 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -5.949 1.258 -3.447 1.00 52.53 H new ATOM 290 N LEU B 136 -2.250 -0.260 -4.253 1.00 21.22 N ATOM 291 CA LEU B 136 -0.979 -0.681 -3.738 1.00 44.41 C ATOM 292 C LEU B 136 -0.228 -1.669 -4.636 1.00 40.11 C ATOM 293 O LEU B 136 0.898 -2.017 -4.354 1.00 61.31 O ATOM 294 CB LEU B 136 -1.235 -1.279 -2.379 1.00 1.14 C ATOM 295 CG LEU B 136 -1.364 -0.326 -1.184 1.00 52.41 C ATOM 296 CD1 LEU B 136 -1.656 -1.105 0.085 1.00 41.23 C ATOM 297 CD2 LEU B 136 -0.101 0.511 -1.006 1.00 34.05 C ATOM 0 H LEU B 136 -3.029 -0.540 -3.657 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.322 0.188 -3.688 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -2.153 -1.864 -2.440 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.426 -1.977 -2.164 1.00 1.14 H new ATOM 0 HG LEU B 136 -2.195 0.351 -1.385 1.00 52.41 H new ATOM 0 HD11 LEU B 136 -1.745 -0.414 0.924 1.00 41.23 H new ATOM 0 HD12 LEU B 136 -2.590 -1.655 -0.032 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.844 -1.806 0.277 1.00 41.23 H new ATOM 0 HD21 LEU B 136 -0.223 1.176 -0.151 1.00 34.05 H new ATOM 0 HD22 LEU B 136 0.751 -0.147 -0.835 1.00 34.05 H new ATOM 0 HD23 LEU B 136 0.073 1.103 -1.905 1.00 34.05 H new ATOM 309 N SER B 137 -0.843 -2.120 -5.689 1.00 11.45 N ATOM 310 CA SER B 137 -0.175 -3.013 -6.588 1.00 2.00 C ATOM 311 C SER B 137 -0.047 -2.376 -7.987 1.00 23.45 C ATOM 312 O SER B 137 0.229 -3.080 -8.972 1.00 1.12 O ATOM 313 CB SER B 137 -0.929 -4.364 -6.655 1.00 70.13 C ATOM 314 OG SER B 137 -0.318 -5.286 -7.548 1.00 44.15 O ATOM 0 H SER B 137 -1.802 -1.886 -5.946 1.00 11.45 H new ATOM 0 HA SER B 137 0.831 -3.203 -6.215 1.00 2.00 H new ATOM 0 HB2 SER B 137 -0.971 -4.803 -5.658 1.00 70.13 H new ATOM 0 HB3 SER B 137 -1.958 -4.187 -6.969 1.00 70.13 H new ATOM 0 HG SER B 137 0.028 -4.805 -8.329 1.00 44.15 H new ATOM 320 N SER B 138 -0.203 -1.057 -8.074 1.00 30.13 N ATOM 321 CA SER B 138 -0.177 -0.365 -9.338 1.00 70.24 C ATOM 322 C SER B 138 1.187 -0.533 -10.041 1.00 64.22 C ATOM 323 O SER B 138 2.225 -0.606 -9.367 1.00 31.04 O ATOM 324 CB SER B 138 -0.401 1.101 -9.038 1.00 65.30 C ATOM 325 OG SER B 138 0.637 1.576 -8.233 1.00 2.10 O ATOM 0 H SER B 138 -0.350 -0.450 -7.268 1.00 30.13 H new ATOM 0 HA SER B 138 -0.943 -0.770 -9.999 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.445 1.670 -9.966 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.358 1.238 -8.534 1.00 65.30 H new ATOM 0 HG SER B 138 1.394 1.840 -8.797 1.00 2.10 H new ATOM 331 N PRO B 139 1.209 -0.592 -11.387 1.00 3.54 N ATOM 332 CA PRO B 139 2.474 -0.593 -12.166 1.00 24.41 C ATOM 333 C PRO B 139 3.050 0.829 -12.118 1.00 3.55 C ATOM 334 O PRO B 139 4.265 1.072 -12.112 1.00 33.11 O ATOM 335 CB PRO B 139 1.970 -0.819 -13.612 1.00 51.14 C ATOM 336 CG PRO B 139 0.612 -0.219 -13.559 1.00 12.24 C ATOM 337 CD PRO B 139 0.026 -0.693 -12.284 1.00 64.24 C ATOM 0 HA PRO B 139 3.214 -1.313 -11.817 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.606 -0.327 -14.348 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.940 -1.877 -13.874 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.661 0.869 -13.589 1.00 12.24 H new ATOM 0 HG3 PRO B 139 0.009 -0.534 -14.411 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -0.802 -0.067 -11.950 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.354 -1.712 -12.356 1.00 64.24 H new ATOM 345 N ASN B 140 2.110 1.734 -12.033 1.00 23.02 N ATOM 346 CA ASN B 140 2.234 3.080 -12.112 1.00 20.23 C ATOM 347 C ASN B 140 2.497 3.663 -10.772 1.00 43.12 C ATOM 348 O ASN B 140 1.594 4.069 -10.054 1.00 34.53 O ATOM 349 CB ASN B 140 0.973 3.648 -12.822 1.00 62.14 C ATOM 350 CG ASN B 140 -0.307 2.849 -12.640 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.521 2.204 -11.668 1.00 54.34 O ATOM 352 ND2 ASN B 140 -1.143 2.881 -13.630 1.00 42.30 N ATOM 0 H ASN B 140 1.138 1.460 -11.889 1.00 23.02 H new ATOM 0 HA ASN B 140 3.099 3.361 -12.713 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.801 4.661 -12.459 1.00 62.14 H new ATOM 0 HB3 ASN B 140 1.183 3.723 -13.889 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -2.009 2.343 -13.584 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -0.935 3.444 -14.455 1.00 42.30 H new ATOM 359 N GLU B 141 3.767 3.657 -10.436 1.00 73.15 N ATOM 360 CA GLU B 141 4.278 4.169 -9.192 1.00 45.35 C ATOM 361 C GLU B 141 3.922 5.635 -9.021 1.00 73.44 C ATOM 362 O GLU B 141 3.727 6.108 -7.910 1.00 64.43 O ATOM 363 CB GLU B 141 5.795 3.972 -9.135 1.00 72.42 C ATOM 364 CG GLU B 141 6.227 2.523 -8.953 1.00 31.50 C ATOM 365 CD GLU B 141 7.727 2.368 -8.850 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.360 3.028 -7.992 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 8.313 1.611 -9.636 1.00 72.31 O ATOM 0 H GLU B 141 4.495 3.282 -11.045 1.00 73.15 H new ATOM 0 HA GLU B 141 3.818 3.617 -8.372 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.236 4.359 -10.054 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.197 4.566 -8.314 1.00 72.42 H new ATOM 0 HG2 GLU B 141 5.762 2.120 -8.053 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.862 1.932 -9.793 1.00 31.50 H new ATOM 374 N GLN B 142 3.820 6.328 -10.131 1.00 51.13 N ATOM 375 CA GLN B 142 3.455 7.726 -10.150 1.00 31.54 C ATOM 376 C GLN B 142 2.011 7.918 -9.691 1.00 51.24 C ATOM 377 O GLN B 142 1.749 8.721 -8.789 1.00 5.41 O ATOM 378 CB GLN B 142 3.645 8.292 -11.552 1.00 3.13 C ATOM 379 CG GLN B 142 5.079 8.252 -12.033 1.00 43.42 C ATOM 380 CD GLN B 142 5.233 8.648 -13.482 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.424 9.820 -13.808 1.00 44.11 O ATOM 382 NE2 GLN B 142 5.150 7.690 -14.357 1.00 63.34 N ATOM 0 H GLN B 142 3.990 5.933 -11.056 1.00 51.13 H new ATOM 0 HA GLN B 142 4.104 8.263 -9.458 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.021 7.732 -12.248 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.294 9.324 -11.569 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.681 8.918 -11.415 1.00 43.42 H new ATOM 0 HG3 GLN B 142 5.474 7.245 -11.894 1.00 43.42 H new ATOM 0 HE21 GLN B 142 4.991 6.731 -14.049 1.00 63.34 H new ATOM 0 HE22 GLN B 142 5.244 7.898 -15.351 1.00 63.34 H new ATOM 391 N ILE B 143 1.074 7.156 -10.271 1.00 34.31 N ATOM 392 CA ILE B 143 -0.327 7.341 -9.899 1.00 21.53 C ATOM 393 C ILE B 143 -0.602 6.734 -8.532 1.00 1.45 C ATOM 394 O ILE B 143 -1.522 7.167 -7.823 1.00 53.35 O ATOM 395 CB ILE B 143 -1.307 6.811 -10.992 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.203 5.361 -11.176 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.972 7.413 -12.318 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.006 4.457 -10.310 1.00 51.44 C ATOM 0 H ILE B 143 1.252 6.435 -10.971 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.513 8.413 -9.830 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.308 7.079 -10.653 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.467 5.143 -12.211 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.155 5.089 -11.050 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.662 7.036 -13.073 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.058 8.498 -12.257 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.048 7.144 -12.592 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.807 3.421 -10.582 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.734 4.617 -9.267 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.066 4.671 -10.445 1.00 51.44 H new ATOM 410 N LEU B 144 0.195 5.700 -8.184 1.00 55.31 N ATOM 411 CA LEU B 144 0.150 5.082 -6.857 1.00 51.23 C ATOM 412 C LEU B 144 0.253 6.171 -5.790 1.00 35.13 C ATOM 413 O LEU B 144 -0.617 6.290 -4.944 1.00 44.33 O ATOM 414 CB LEU B 144 1.330 4.134 -6.665 1.00 3.21 C ATOM 415 CG LEU B 144 1.436 3.469 -5.284 1.00 52.24 C ATOM 416 CD1 LEU B 144 0.906 2.067 -5.250 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.821 3.532 -4.772 1.00 24.12 C ATOM 0 H LEU B 144 0.878 5.280 -8.814 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.786 4.531 -6.769 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.269 3.351 -7.421 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.250 4.687 -6.853 1.00 3.21 H new ATOM 0 HG LEU B 144 0.791 4.045 -4.620 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.014 1.662 -4.244 1.00 13.41 H new ATOM 0 HD12 LEU B 144 -0.148 2.069 -5.529 1.00 13.41 H new ATOM 0 HD13 LEU B 144 1.466 1.449 -5.952 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.869 3.055 -3.793 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.488 3.014 -5.462 1.00 24.12 H new ATOM 0 HD23 LEU B 144 3.129 4.574 -4.683 1.00 24.12 H new ATOM 429 N GLN B 145 1.339 6.971 -5.873 1.00 62.02 N ATOM 430 CA GLN B 145 1.611 8.100 -4.984 1.00 14.14 C ATOM 431 C GLN B 145 0.405 9.006 -4.846 1.00 53.32 C ATOM 432 O GLN B 145 -0.030 9.299 -3.739 1.00 13.44 O ATOM 433 CB GLN B 145 2.759 8.907 -5.557 1.00 31.14 C ATOM 434 CG GLN B 145 4.058 8.146 -5.644 1.00 35.44 C ATOM 435 CD GLN B 145 5.106 8.856 -6.495 1.00 5.04 C ATOM 436 OE1 GLN B 145 5.171 10.091 -6.545 1.00 4.41 O ATOM 437 NE2 GLN B 145 5.872 8.094 -7.227 1.00 60.40 N ATOM 0 H GLN B 145 2.062 6.838 -6.580 1.00 62.02 H new ATOM 0 HA GLN B 145 1.859 7.705 -3.999 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.485 9.253 -6.553 1.00 31.14 H new ATOM 0 HB3 GLN B 145 2.909 9.794 -4.941 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.454 7.996 -4.639 1.00 35.44 H new ATOM 0 HG3 GLN B 145 3.867 7.158 -6.062 1.00 35.44 H new ATOM 0 HE21 GLN B 145 5.793 7.079 -7.162 1.00 60.40 H new ATOM 0 HE22 GLN B 145 6.549 8.513 -7.864 1.00 60.40 H new ATOM 446 N GLU B 146 -0.135 9.421 -5.980 1.00 55.14 N ATOM 447 CA GLU B 146 -1.282 10.322 -6.008 1.00 32.43 C ATOM 448 C GLU B 146 -2.489 9.727 -5.301 1.00 61.02 C ATOM 449 O GLU B 146 -3.120 10.381 -4.484 1.00 62.21 O ATOM 450 CB GLU B 146 -1.652 10.734 -7.425 1.00 61.15 C ATOM 451 CG GLU B 146 -0.564 11.490 -8.150 1.00 73.43 C ATOM 452 CD GLU B 146 -1.053 12.063 -9.447 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.219 11.305 -10.424 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 -1.300 13.281 -9.512 1.00 3.34 O ATOM 0 H GLU B 146 0.204 9.147 -6.902 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.978 11.217 -5.466 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.903 9.841 -7.998 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.549 11.353 -7.390 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.194 12.294 -7.514 1.00 73.43 H new ATOM 0 HG3 GLU B 146 0.277 10.823 -8.341 1.00 73.43 H new ATOM 461 N ALA B 147 -2.795 8.483 -5.596 1.00 15.44 N ATOM 462 CA ALA B 147 -3.907 7.819 -4.935 1.00 72.45 C ATOM 463 C ALA B 147 -3.617 7.656 -3.453 1.00 11.52 C ATOM 464 O ALA B 147 -4.482 7.872 -2.606 1.00 71.22 O ATOM 465 CB ALA B 147 -4.193 6.477 -5.571 1.00 4.23 C ATOM 0 H ALA B 147 -2.299 7.912 -6.281 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.794 8.442 -5.051 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.029 6.002 -5.058 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.446 6.619 -6.622 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.311 5.842 -5.493 1.00 4.23 H new ATOM 471 N LEU B 148 -2.370 7.359 -3.149 1.00 50.13 N ATOM 472 CA LEU B 148 -1.913 7.156 -1.796 1.00 10.21 C ATOM 473 C LEU B 148 -2.097 8.372 -0.955 1.00 72.25 C ATOM 474 O LEU B 148 -2.280 8.256 0.217 1.00 11.01 O ATOM 475 CB LEU B 148 -0.457 6.743 -1.744 1.00 24.22 C ATOM 476 CG LEU B 148 -0.134 5.276 -1.999 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.362 5.086 -2.033 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.740 4.397 -0.911 1.00 53.12 C ATOM 0 H LEU B 148 -1.636 7.251 -3.849 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.527 6.349 -1.396 1.00 10.21 H new ATOM 0 HB2 LEU B 148 0.089 7.340 -2.475 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.067 7.008 -0.761 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.561 4.985 -2.959 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.591 4.036 -2.215 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.788 5.694 -2.831 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.789 5.390 -1.077 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.499 3.353 -1.110 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.333 4.685 0.058 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -1.823 4.524 -0.902 1.00 53.12 H new ATOM 490 N TRP B 149 -2.050 9.526 -1.548 1.00 72.11 N ATOM 491 CA TRP B 149 -2.257 10.757 -0.822 1.00 73.33 C ATOM 492 C TRP B 149 -3.565 10.709 -0.046 1.00 33.51 C ATOM 493 O TRP B 149 -3.610 11.039 1.139 1.00 12.44 O ATOM 494 CB TRP B 149 -2.279 11.934 -1.758 1.00 5.20 C ATOM 495 CG TRP B 149 -0.989 12.269 -2.485 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.907 12.870 -3.702 1.00 14.14 C ATOM 497 CD2 TRP B 149 0.383 12.016 -2.081 1.00 64.10 C ATOM 498 NE1 TRP B 149 0.395 13.036 -4.077 1.00 44.31 N ATOM 499 CE2 TRP B 149 1.210 12.516 -3.110 1.00 41.22 C ATOM 500 CE3 TRP B 149 0.997 11.427 -0.963 1.00 50.34 C ATOM 501 CZ2 TRP B 149 2.595 12.447 -3.054 1.00 11.41 C ATOM 502 CZ3 TRP B 149 2.376 11.359 -0.918 1.00 0.00 C ATOM 503 CH2 TRP B 149 3.160 11.867 -1.954 1.00 21.30 C ATOM 0 H TRP B 149 -1.868 9.649 -2.544 1.00 72.11 H new ATOM 0 HA TRP B 149 -1.428 10.872 -0.124 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -3.051 11.756 -2.506 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -2.583 12.812 -1.189 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -1.758 13.175 -4.293 1.00 14.14 H new ATOM 0 HE1 TRP B 149 0.710 13.478 -4.941 1.00 44.31 H new ATOM 0 HE3 TRP B 149 0.401 11.034 -0.153 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 3.206 12.839 -3.854 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 2.856 10.904 -0.064 1.00 0.00 H new ATOM 0 HH2 TRP B 149 4.236 11.800 -1.885 1.00 21.30 H new ATOM 514 N ALA B 150 -4.605 10.263 -0.700 1.00 4.41 N ATOM 515 CA ALA B 150 -5.874 10.151 -0.050 1.00 55.10 C ATOM 516 C ALA B 150 -5.993 8.800 0.677 1.00 74.03 C ATOM 517 O ALA B 150 -6.486 8.717 1.802 1.00 33.30 O ATOM 518 CB ALA B 150 -7.014 10.336 -1.040 1.00 15.21 C ATOM 0 H ALA B 150 -4.594 9.974 -1.678 1.00 4.41 H new ATOM 0 HA ALA B 150 -5.945 10.946 0.692 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -7.967 10.246 -0.519 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -6.942 11.323 -1.497 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -6.951 9.572 -1.815 1.00 15.21 H new ATOM 524 N LEU B 151 -5.515 7.752 0.034 1.00 70.43 N ATOM 525 CA LEU B 151 -5.655 6.374 0.532 1.00 60.43 C ATOM 526 C LEU B 151 -4.753 6.023 1.716 1.00 0.01 C ATOM 527 O LEU B 151 -5.062 5.132 2.483 1.00 1.42 O ATOM 528 CB LEU B 151 -5.454 5.375 -0.598 1.00 30.21 C ATOM 529 CG LEU B 151 -6.641 5.104 -1.545 1.00 35.52 C ATOM 530 CD1 LEU B 151 -7.758 4.408 -0.813 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.168 6.362 -2.220 1.00 54.11 C ATOM 0 H LEU B 151 -5.015 7.820 -0.852 1.00 70.43 H new ATOM 0 HA LEU B 151 -6.674 6.311 0.914 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.616 5.720 -1.203 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.157 4.425 -0.155 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.259 4.455 -2.333 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.585 4.226 -1.499 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.398 3.458 -0.419 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.100 5.036 0.010 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.002 6.103 -2.872 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.507 7.067 -1.461 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.373 6.818 -2.810 1.00 54.11 H new ATOM 543 N SER B 152 -3.668 6.719 1.878 1.00 60.31 N ATOM 544 CA SER B 152 -2.739 6.467 2.972 1.00 74.51 C ATOM 545 C SER B 152 -3.375 6.857 4.314 1.00 11.20 C ATOM 546 O SER B 152 -2.956 6.395 5.391 1.00 33.33 O ATOM 547 CB SER B 152 -1.403 7.164 2.718 1.00 21.44 C ATOM 548 OG SER B 152 -0.431 6.842 3.693 1.00 22.11 O ATOM 0 H SER B 152 -3.389 7.482 1.262 1.00 60.31 H new ATOM 0 HA SER B 152 -2.524 5.400 3.024 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.032 6.883 1.733 1.00 21.44 H new ATOM 0 HB3 SER B 152 -1.556 8.243 2.705 1.00 21.44 H new ATOM 0 HG SER B 152 0.465 6.966 3.315 1.00 22.11 H new ATOM 554 N ASN B 153 -4.399 7.714 4.242 1.00 64.24 N ATOM 555 CA ASN B 153 -5.193 8.104 5.411 1.00 44.31 C ATOM 556 C ASN B 153 -5.787 6.847 6.057 1.00 64.55 C ATOM 557 O ASN B 153 -5.894 6.744 7.281 1.00 64.23 O ATOM 558 CB ASN B 153 -6.310 9.053 4.975 1.00 63.41 C ATOM 559 CG ASN B 153 -7.159 9.563 6.125 1.00 23.31 C ATOM 560 OD1 ASN B 153 -8.186 8.979 6.463 1.00 40.43 O ATOM 561 ND2 ASN B 153 -6.747 10.643 6.728 1.00 50.30 N ATOM 0 H ASN B 153 -4.700 8.156 3.373 1.00 64.24 H new ATOM 0 HA ASN B 153 -4.560 8.615 6.137 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -5.870 9.904 4.455 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -6.953 8.540 4.260 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -7.282 11.028 7.506 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -5.890 11.103 6.422 1.00 50.30 H new ATOM 568 N ILE B 154 -6.113 5.882 5.199 1.00 75.13 N ATOM 569 CA ILE B 154 -6.611 4.564 5.605 1.00 55.41 C ATOM 570 C ILE B 154 -5.548 3.862 6.456 1.00 43.23 C ATOM 571 O ILE B 154 -5.804 3.471 7.574 1.00 31.12 O ATOM 572 CB ILE B 154 -6.910 3.674 4.356 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.012 4.286 3.465 1.00 50.30 C ATOM 574 CG2 ILE B 154 -7.266 2.244 4.753 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.383 4.330 4.101 1.00 21.43 C ATOM 0 H ILE B 154 -6.039 5.993 4.188 1.00 75.13 H new ATOM 0 HA ILE B 154 -7.530 4.705 6.173 1.00 55.41 H new ATOM 0 HB ILE B 154 -5.992 3.639 3.770 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -7.719 5.300 3.193 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -8.073 3.713 2.540 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.467 1.657 3.857 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.433 1.800 5.299 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -8.152 2.252 5.388 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.093 4.775 3.404 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.702 3.317 4.348 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -9.343 4.929 5.010 1.00 21.43 H new ATOM 587 N ALA B 155 -4.336 3.782 5.924 1.00 10.31 N ATOM 588 CA ALA B 155 -3.208 3.113 6.595 1.00 14.12 C ATOM 589 C ALA B 155 -2.812 3.823 7.895 1.00 64.41 C ATOM 590 O ALA B 155 -2.110 3.267 8.742 1.00 71.04 O ATOM 591 CB ALA B 155 -2.015 3.018 5.653 1.00 41.11 C ATOM 0 H ALA B 155 -4.097 4.177 5.014 1.00 10.31 H new ATOM 0 HA ALA B 155 -3.533 2.107 6.861 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -1.189 2.522 6.162 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.294 2.445 4.769 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -1.707 4.020 5.353 1.00 41.11 H new ATOM 597 N SER B 156 -3.244 5.050 8.039 1.00 4.52 N ATOM 598 CA SER B 156 -2.976 5.808 9.226 1.00 54.22 C ATOM 599 C SER B 156 -4.052 5.537 10.300 1.00 33.11 C ATOM 600 O SER B 156 -3.894 5.918 11.460 1.00 31.14 O ATOM 601 CB SER B 156 -2.892 7.288 8.872 1.00 51.15 C ATOM 602 OG SER B 156 -1.910 7.499 7.844 1.00 71.21 O ATOM 0 H SER B 156 -3.790 5.548 7.336 1.00 4.52 H new ATOM 0 HA SER B 156 -2.019 5.500 9.647 1.00 54.22 H new ATOM 0 HB2 SER B 156 -3.865 7.644 8.534 1.00 51.15 H new ATOM 0 HB3 SER B 156 -2.631 7.867 9.758 1.00 51.15 H new ATOM 0 HG SER B 156 -2.245 7.146 6.994 1.00 71.21 H new ATOM 608 N GLY B 157 -5.106 4.836 9.915 1.00 64.35 N ATOM 609 CA GLY B 157 -6.163 4.520 10.829 1.00 65.32 C ATOM 610 C GLY B 157 -5.958 3.161 11.441 1.00 30.23 C ATOM 611 O GLY B 157 -6.237 2.140 10.816 1.00 41.22 O ATOM 0 H GLY B 157 -5.242 4.479 8.969 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -6.207 5.274 11.615 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -7.120 4.547 10.308 1.00 65.32 H new ATOM 615 N GLY B 158 -5.485 3.135 12.664 1.00 4.51 N ATOM 616 CA GLY B 158 -5.191 1.872 13.310 1.00 1.13 C ATOM 617 C GLY B 158 -6.401 1.249 13.963 1.00 32.24 C ATOM 618 O GLY B 158 -6.358 0.104 14.409 1.00 23.13 O ATOM 0 H GLY B 158 -5.296 3.963 13.229 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -4.785 1.179 12.573 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -4.418 2.026 14.062 1.00 1.13 H new ATOM 622 N ASN B 159 -7.484 1.991 14.002 1.00 23.14 N ATOM 623 CA ASN B 159 -8.691 1.549 14.674 1.00 4.32 C ATOM 624 C ASN B 159 -9.432 0.475 13.882 1.00 43.12 C ATOM 625 O ASN B 159 -9.574 -0.648 14.347 1.00 73.44 O ATOM 626 CB ASN B 159 -9.612 2.730 14.986 1.00 41.53 C ATOM 627 CG ASN B 159 -10.872 2.323 15.739 1.00 73.54 C ATOM 628 OD1 ASN B 159 -10.878 1.348 16.512 1.00 53.51 O ATOM 629 ND2 ASN B 159 -11.933 3.062 15.539 1.00 13.35 N ATOM 0 H ASN B 159 -7.556 2.913 13.572 1.00 23.14 H new ATOM 0 HA ASN B 159 -8.382 1.097 15.617 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -9.064 3.464 15.577 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -9.895 3.218 14.054 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -12.804 2.846 16.025 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -11.890 3.854 14.897 1.00 13.35 H new ATOM 636 N GLU B 160 -9.879 0.801 12.698 1.00 61.13 N ATOM 637 CA GLU B 160 -10.639 -0.150 11.888 1.00 44.33 C ATOM 638 C GLU B 160 -9.909 -0.450 10.596 1.00 21.45 C ATOM 639 O GLU B 160 -9.761 -1.590 10.193 1.00 55.12 O ATOM 640 CB GLU B 160 -12.007 0.441 11.550 1.00 21.44 C ATOM 641 CG GLU B 160 -12.858 -0.433 10.642 1.00 75.15 C ATOM 642 CD GLU B 160 -14.103 0.264 10.182 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.064 0.960 9.133 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -15.145 0.148 10.860 1.00 5.33 O ATOM 0 H GLU B 160 -9.737 1.712 12.263 1.00 61.13 H new ATOM 0 HA GLU B 160 -10.756 -1.071 12.459 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.552 0.620 12.477 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -11.863 1.410 11.072 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -12.270 -0.731 9.774 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -13.130 -1.346 11.172 1.00 75.15 H new ATOM 651 N GLN B 161 -9.424 0.592 10.002 1.00 55.22 N ATOM 652 CA GLN B 161 -8.825 0.595 8.691 1.00 4.24 C ATOM 653 C GLN B 161 -7.645 -0.385 8.583 1.00 2.21 C ATOM 654 O GLN B 161 -7.422 -0.994 7.543 1.00 4.14 O ATOM 655 CB GLN B 161 -8.353 2.016 8.339 1.00 73.31 C ATOM 656 CG GLN B 161 -9.397 3.150 8.481 1.00 74.15 C ATOM 657 CD GLN B 161 -9.556 3.726 9.914 1.00 63.34 C ATOM 658 OE1 GLN B 161 -9.361 3.045 10.934 1.00 30.32 O ATOM 659 NE2 GLN B 161 -9.896 4.976 9.995 1.00 71.32 N ATOM 0 H GLN B 161 -9.432 1.516 10.434 1.00 55.22 H new ATOM 0 HA GLN B 161 -9.587 0.266 7.985 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -7.500 2.258 8.972 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -7.994 2.010 7.310 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -9.121 3.962 7.809 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -10.365 2.775 8.148 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -10.052 5.518 9.145 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -10.008 5.416 10.908 1.00 71.32 H new ATOM 668 N LYS B 162 -6.937 -0.560 9.671 1.00 0.01 N ATOM 669 CA LYS B 162 -5.753 -1.395 9.703 1.00 53.04 C ATOM 670 C LYS B 162 -6.062 -2.913 9.623 1.00 54.42 C ATOM 671 O LYS B 162 -5.223 -3.684 9.183 1.00 41.24 O ATOM 672 CB LYS B 162 -4.899 -1.032 10.934 1.00 52.24 C ATOM 673 CG LYS B 162 -3.566 -1.745 11.051 1.00 72.31 C ATOM 674 CD LYS B 162 -2.804 -1.236 12.263 1.00 53.42 C ATOM 675 CE LYS B 162 -3.319 -1.795 13.583 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.066 -3.249 13.716 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.164 -0.127 10.566 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.178 -1.187 8.801 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -4.714 0.042 10.919 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -5.482 -1.243 11.831 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -3.726 -2.820 11.138 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -2.978 -1.583 10.148 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -1.751 -1.494 12.155 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -2.865 -0.148 12.290 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -2.841 -1.268 14.409 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.390 -1.606 13.662 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -3.957 -3.770 13.588 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -2.383 -3.550 12.992 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.680 -3.449 14.661 1.00 22.01 H new ATOM 690 N GLN B 163 -7.271 -3.335 9.987 1.00 45.04 N ATOM 691 CA GLN B 163 -7.605 -4.784 9.959 1.00 54.43 C ATOM 692 C GLN B 163 -8.080 -5.186 8.576 1.00 43.34 C ATOM 693 O GLN B 163 -8.064 -6.364 8.202 1.00 51.54 O ATOM 694 CB GLN B 163 -8.687 -5.114 10.981 1.00 0.44 C ATOM 695 CG GLN B 163 -10.032 -4.515 10.648 1.00 12.45 C ATOM 696 CD GLN B 163 -10.980 -4.507 11.826 1.00 32.52 C ATOM 697 OE1 GLN B 163 -10.550 -4.417 12.981 1.00 71.21 O ATOM 698 NE2 GLN B 163 -12.256 -4.593 11.559 1.00 35.45 N ATOM 0 H GLN B 163 -8.027 -2.725 10.299 1.00 45.04 H new ATOM 0 HA GLN B 163 -6.703 -5.341 10.211 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -8.788 -6.197 11.054 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -8.371 -4.756 11.961 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -9.892 -3.494 10.294 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.482 -5.077 9.830 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.571 -4.666 10.592 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -12.937 -4.587 12.318 1.00 35.45 H new ATOM 707 N ALA B 164 -8.474 -4.190 7.832 1.00 52.32 N ATOM 708 CA ALA B 164 -9.022 -4.335 6.505 1.00 30.11 C ATOM 709 C ALA B 164 -8.028 -4.949 5.578 1.00 13.35 C ATOM 710 O ALA B 164 -8.285 -5.932 4.911 1.00 74.41 O ATOM 711 CB ALA B 164 -9.287 -2.964 5.982 1.00 12.31 C ATOM 0 H ALA B 164 -8.422 -3.219 8.141 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.914 -4.960 6.559 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.703 -3.032 4.977 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -9.997 -2.456 6.635 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.355 -2.400 5.951 1.00 12.31 H new ATOM 717 N VAL B 165 -6.882 -4.365 5.620 1.00 3.02 N ATOM 718 CA VAL B 165 -5.796 -4.556 4.693 1.00 13.21 C ATOM 719 C VAL B 165 -5.377 -6.039 4.529 1.00 2.43 C ATOM 720 O VAL B 165 -5.076 -6.481 3.427 1.00 61.00 O ATOM 721 CB VAL B 165 -4.601 -3.660 5.134 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.121 -2.290 5.473 1.00 41.13 C ATOM 723 CG2 VAL B 165 -3.976 -4.182 6.362 1.00 41.10 C ATOM 0 H VAL B 165 -6.652 -3.692 6.351 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.138 -4.256 3.703 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.877 -3.640 4.319 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.293 -1.653 5.783 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.603 -1.857 4.597 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -5.844 -2.366 6.285 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.144 -3.538 6.649 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.713 -4.202 7.165 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.608 -5.192 6.182 1.00 41.10 H new ATOM 733 N LYS B 166 -5.453 -6.804 5.605 1.00 72.33 N ATOM 734 CA LYS B 166 -5.042 -8.205 5.593 1.00 62.53 C ATOM 735 C LYS B 166 -6.014 -8.997 4.741 1.00 61.12 C ATOM 736 O LYS B 166 -5.629 -9.837 3.928 1.00 13.14 O ATOM 737 CB LYS B 166 -5.073 -8.826 7.005 1.00 64.02 C ATOM 738 CG LYS B 166 -4.264 -8.143 8.105 1.00 21.20 C ATOM 739 CD LYS B 166 -4.877 -6.836 8.603 1.00 51.32 C ATOM 740 CE LYS B 166 -4.327 -6.493 9.977 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.740 -7.462 11.020 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.798 -6.478 6.508 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.025 -8.242 5.203 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -6.113 -8.865 7.330 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.725 -9.856 6.925 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -4.162 -8.829 8.946 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.259 -7.943 7.733 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.655 -6.031 7.902 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.962 -6.928 8.649 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.239 -6.459 9.929 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.665 -5.496 10.260 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.721 -6.999 11.951 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.704 -7.798 10.820 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -4.085 -8.270 11.022 1.00 65.44 H new ATOM 755 N GLU B 167 -7.267 -8.673 4.908 1.00 75.44 N ATOM 756 CA GLU B 167 -8.341 -9.319 4.311 1.00 33.13 C ATOM 757 C GLU B 167 -8.584 -8.732 2.901 1.00 4.33 C ATOM 758 O GLU B 167 -9.212 -9.356 2.036 1.00 61.22 O ATOM 759 CB GLU B 167 -9.481 -9.076 5.275 1.00 35.41 C ATOM 760 CG GLU B 167 -10.758 -9.655 4.896 1.00 14.32 C ATOM 761 CD GLU B 167 -11.776 -9.507 5.995 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.717 -10.274 6.983 1.00 34.35 O ATOM 763 OE2 GLU B 167 -12.649 -8.628 5.905 1.00 51.30 O1- ATOM 0 H GLU B 167 -7.554 -7.899 5.507 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.195 -10.387 4.146 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.198 -9.471 6.251 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.611 -8.000 5.392 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -11.124 -9.171 3.991 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -10.625 -10.711 4.661 1.00 14.32 H new ATOM 770 N ALA B 168 -8.050 -7.550 2.683 1.00 51.34 N ATOM 771 CA ALA B 168 -8.135 -6.862 1.412 1.00 12.43 C ATOM 772 C ALA B 168 -7.107 -7.410 0.432 1.00 34.44 C ATOM 773 O ALA B 168 -7.283 -7.322 -0.784 1.00 25.22 O ATOM 774 CB ALA B 168 -7.909 -5.381 1.618 1.00 40.11 C ATOM 0 H ALA B 168 -7.536 -7.031 3.395 1.00 51.34 H new ATOM 0 HA ALA B 168 -9.129 -7.024 0.995 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.974 -4.866 0.659 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.669 -4.987 2.293 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.921 -5.220 2.050 1.00 40.11 H new ATOM 780 N GLY B 169 -6.035 -7.960 0.965 1.00 34.33 N ATOM 781 CA GLY B 169 -5.011 -8.533 0.127 1.00 34.02 C ATOM 782 C GLY B 169 -3.759 -7.679 0.066 1.00 4.54 C ATOM 783 O GLY B 169 -3.090 -7.609 -0.975 1.00 31.44 O ATOM 0 H GLY B 169 -5.854 -8.021 1.967 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.752 -9.523 0.502 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.404 -8.666 -0.881 1.00 34.02 H new ATOM 787 N ALA B 170 -3.425 -7.050 1.180 1.00 35.41 N ATOM 788 CA ALA B 170 -2.283 -6.158 1.255 1.00 34.41 C ATOM 789 C ALA B 170 -0.971 -6.879 1.104 1.00 73.04 C ATOM 790 O ALA B 170 -0.049 -6.320 0.570 1.00 1.24 O ATOM 791 CB ALA B 170 -2.315 -5.345 2.524 1.00 13.24 C ATOM 0 H ALA B 170 -3.938 -7.144 2.057 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.361 -5.477 0.408 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.448 -4.685 2.555 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.227 -4.748 2.551 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.293 -6.013 3.385 1.00 13.24 H new ATOM 797 N LEU B 171 -0.901 -8.127 1.537 1.00 61.22 N ATOM 798 CA LEU B 171 0.331 -8.913 1.415 1.00 71.22 C ATOM 799 C LEU B 171 0.727 -9.091 -0.039 1.00 54.15 C ATOM 800 O LEU B 171 1.899 -8.904 -0.406 1.00 23.24 O ATOM 801 CB LEU B 171 0.186 -10.275 2.075 1.00 35.44 C ATOM 802 CG LEU B 171 -0.011 -10.272 3.579 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.206 -11.671 4.073 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.174 -9.639 4.272 1.00 11.20 C ATOM 0 H LEU B 171 -1.677 -8.623 1.976 1.00 61.22 H new ATOM 0 HA LEU B 171 1.116 -8.358 1.928 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.661 -10.788 1.619 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.075 -10.863 1.847 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.900 -9.684 3.809 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.347 -11.659 5.154 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -1.085 -12.106 3.597 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.672 -12.269 3.828 1.00 70.51 H new ATOM 0 HD21 LEU B 171 1.012 -9.647 5.350 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.077 -10.202 4.036 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.289 -8.610 3.930 1.00 11.20 H new ATOM 816 N GLU B 172 -0.247 -9.442 -0.861 1.00 61.41 N ATOM 817 CA GLU B 172 -0.029 -9.618 -2.283 1.00 12.34 C ATOM 818 C GLU B 172 0.314 -8.278 -2.925 1.00 12.03 C ATOM 819 O GLU B 172 1.241 -8.176 -3.724 1.00 11.21 O ATOM 820 CB GLU B 172 -1.280 -10.190 -2.940 1.00 22.42 C ATOM 821 CG GLU B 172 -1.114 -10.460 -4.421 1.00 4.33 C ATOM 822 CD GLU B 172 -2.382 -10.912 -5.077 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.679 -12.121 -5.077 1.00 71.05 O1- ATOM 824 OE2 GLU B 172 -3.115 -10.059 -5.614 1.00 61.51 O ATOM 0 H GLU B 172 -1.207 -9.612 -0.561 1.00 61.41 H new ATOM 0 HA GLU B 172 0.799 -10.312 -2.426 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.553 -11.118 -2.438 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -2.107 -9.495 -2.796 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -0.759 -9.554 -4.913 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -0.346 -11.221 -4.563 1.00 4.33 H new ATOM 831 N LYS B 173 -0.440 -7.251 -2.548 1.00 75.52 N ATOM 832 CA LYS B 173 -0.246 -5.914 -3.076 1.00 52.14 C ATOM 833 C LYS B 173 1.157 -5.394 -2.752 1.00 13.42 C ATOM 834 O LYS B 173 1.885 -4.940 -3.641 1.00 22.05 O ATOM 835 CB LYS B 173 -1.311 -4.952 -2.523 1.00 52.11 C ATOM 836 CG LYS B 173 -2.525 -4.622 -3.426 1.00 23.24 C ATOM 837 CD LYS B 173 -3.595 -5.710 -3.557 1.00 32.34 C ATOM 838 CE LYS B 173 -3.112 -6.972 -4.207 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.212 -7.930 -4.452 1.00 43.00 N1+ ATOM 0 H LYS B 173 -1.199 -7.326 -1.870 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.351 -5.964 -4.160 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.691 -5.372 -1.592 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.816 -4.014 -2.271 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -3.001 -3.720 -3.041 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -2.154 -4.386 -4.424 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.977 -5.949 -2.565 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -4.431 -5.314 -4.134 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -2.627 -6.729 -5.152 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -2.359 -7.440 -3.573 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.816 -8.876 -4.627 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.835 -7.964 -3.620 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.759 -7.625 -5.282 1.00 43.00 H new ATOM 853 N LEU B 174 1.517 -5.520 -1.482 1.00 32.33 N ATOM 854 CA LEU B 174 2.803 -5.101 -0.941 1.00 44.15 C ATOM 855 C LEU B 174 3.944 -5.692 -1.741 1.00 4.04 C ATOM 856 O LEU B 174 4.809 -4.973 -2.204 1.00 43.44 O ATOM 857 CB LEU B 174 2.910 -5.574 0.520 1.00 22.15 C ATOM 858 CG LEU B 174 4.210 -5.273 1.262 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.407 -3.784 1.417 1.00 13.11 C ATOM 860 CD2 LEU B 174 4.216 -5.963 2.617 1.00 43.15 C ATOM 0 H LEU B 174 0.903 -5.929 -0.778 1.00 32.33 H new ATOM 0 HA LEU B 174 2.869 -4.014 -0.995 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.090 -5.125 1.081 1.00 22.15 H new ATOM 0 HB3 LEU B 174 2.754 -6.653 0.537 1.00 22.15 H new ATOM 0 HG LEU B 174 5.041 -5.662 0.673 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.339 -3.594 1.948 1.00 13.11 H new ATOM 0 HD12 LEU B 174 4.449 -3.318 0.432 1.00 13.11 H new ATOM 0 HD13 LEU B 174 3.575 -3.364 1.982 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.149 -5.740 3.135 1.00 43.15 H new ATOM 0 HD22 LEU B 174 3.376 -5.604 3.212 1.00 43.15 H new ATOM 0 HD23 LEU B 174 4.128 -7.040 2.477 1.00 43.15 H new ATOM 872 N GLU B 175 3.887 -7.004 -1.930 1.00 64.22 N ATOM 873 CA GLU B 175 4.895 -7.791 -2.605 1.00 34.22 C ATOM 874 C GLU B 175 5.296 -7.188 -3.964 1.00 30.54 C ATOM 875 O GLU B 175 6.479 -7.167 -4.325 1.00 40.22 O ATOM 876 CB GLU B 175 4.322 -9.167 -2.811 1.00 31.20 C ATOM 877 CG GLU B 175 5.344 -10.236 -2.966 1.00 63.55 C ATOM 878 CD GLU B 175 4.714 -11.578 -3.163 1.00 72.13 C ATOM 879 OE1 GLU B 175 4.334 -12.225 -2.168 1.00 5.21 O ATOM 880 OE2 GLU B 175 4.561 -12.003 -4.316 1.00 12.05 O1- ATOM 0 H GLU B 175 3.102 -7.566 -1.601 1.00 64.22 H new ATOM 0 HA GLU B 175 5.798 -7.815 -1.995 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.682 -9.412 -1.964 1.00 31.20 H new ATOM 0 HB3 GLU B 175 3.688 -9.155 -3.697 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.985 -10.006 -3.817 1.00 63.55 H new ATOM 0 HG3 GLU B 175 5.983 -10.260 -2.083 1.00 63.55 H new ATOM 887 N GLN B 176 4.316 -6.690 -4.689 1.00 53.05 N ATOM 888 CA GLN B 176 4.538 -6.101 -5.991 1.00 51.12 C ATOM 889 C GLN B 176 5.226 -4.754 -5.846 1.00 15.23 C ATOM 890 O GLN B 176 6.284 -4.499 -6.433 1.00 25.45 O ATOM 891 CB GLN B 176 3.205 -5.895 -6.681 1.00 22.05 C ATOM 892 CG GLN B 176 2.353 -7.144 -6.799 1.00 3.54 C ATOM 893 CD GLN B 176 3.003 -8.280 -7.586 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.750 -9.446 -7.311 1.00 25.33 O ATOM 895 NE2 GLN B 176 3.808 -7.965 -8.574 1.00 12.14 N ATOM 0 H GLN B 176 3.341 -6.683 -4.390 1.00 53.05 H new ATOM 0 HA GLN B 176 5.168 -6.769 -6.578 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.642 -5.138 -6.135 1.00 22.05 H new ATOM 0 HB3 GLN B 176 3.386 -5.499 -7.680 1.00 22.05 H new ATOM 0 HG2 GLN B 176 2.115 -7.502 -5.798 1.00 3.54 H new ATOM 0 HG3 GLN B 176 1.409 -6.881 -7.277 1.00 3.54 H new ATOM 0 HE21 GLN B 176 4.002 -6.985 -8.782 1.00 12.14 H new ATOM 0 HE22 GLN B 176 4.240 -8.700 -9.134 1.00 12.14 H new ATOM 904 N LEU B 177 4.639 -3.918 -5.014 1.00 55.23 N ATOM 905 CA LEU B 177 5.104 -2.551 -4.787 1.00 50.03 C ATOM 906 C LEU B 177 6.461 -2.507 -4.103 1.00 2.24 C ATOM 907 O LEU B 177 7.170 -1.507 -4.162 1.00 11.31 O ATOM 908 CB LEU B 177 4.069 -1.793 -3.991 1.00 4.33 C ATOM 909 CG LEU B 177 4.309 -0.322 -3.806 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.298 0.366 -5.162 1.00 11.02 C ATOM 911 CD2 LEU B 177 3.260 0.265 -2.878 1.00 54.44 C ATOM 0 H LEU B 177 3.815 -4.165 -4.466 1.00 55.23 H new ATOM 0 HA LEU B 177 5.235 -2.073 -5.758 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.103 -1.922 -4.478 1.00 4.33 H new ATOM 0 HB3 LEU B 177 3.993 -2.253 -3.006 1.00 4.33 H new ATOM 0 HG LEU B 177 5.285 -0.162 -3.347 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.472 1.434 -5.030 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.084 -0.055 -5.790 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.330 0.213 -5.640 1.00 11.02 H new ATOM 0 HD21 LEU B 177 3.443 1.332 -2.751 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.269 0.116 -3.308 1.00 54.44 H new ATOM 0 HD23 LEU B 177 3.313 -0.231 -1.909 1.00 54.44 H new ATOM 923 N GLN B 178 6.811 -3.579 -3.465 1.00 31.43 N ATOM 924 CA GLN B 178 8.143 -3.733 -2.858 1.00 34.22 C ATOM 925 C GLN B 178 9.271 -3.606 -3.898 1.00 43.53 C ATOM 926 O GLN B 178 10.396 -3.288 -3.554 1.00 33.40 O ATOM 927 CB GLN B 178 8.275 -5.037 -2.063 1.00 22.20 C ATOM 928 CG GLN B 178 7.478 -5.054 -0.764 1.00 63.12 C ATOM 929 CD GLN B 178 7.949 -4.012 0.240 1.00 52.34 C ATOM 930 OE1 GLN B 178 7.498 -2.869 0.236 1.00 3.53 O ATOM 931 NE2 GLN B 178 8.838 -4.400 1.115 1.00 12.22 N ATOM 0 H GLN B 178 6.199 -4.385 -3.337 1.00 31.43 H new ATOM 0 HA GLN B 178 8.250 -2.910 -2.152 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.948 -5.867 -2.689 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.327 -5.206 -1.834 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.425 -4.883 -0.989 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.551 -6.044 -0.313 1.00 63.12 H new ATOM 0 HE21 GLN B 178 9.193 -5.356 1.092 1.00 12.22 H new ATOM 0 HE22 GLN B 178 9.177 -3.747 1.821 1.00 12.22 H new ATOM 940 N SER B 179 8.954 -3.791 -5.166 1.00 11.02 N ATOM 941 CA SER B 179 9.937 -3.642 -6.230 1.00 25.41 C ATOM 942 C SER B 179 9.974 -2.167 -6.738 1.00 10.24 C ATOM 943 O SER B 179 10.492 -1.876 -7.823 1.00 40.01 O ATOM 944 CB SER B 179 9.575 -4.599 -7.354 1.00 32.12 C ATOM 945 OG SER B 179 9.386 -5.919 -6.833 1.00 64.32 O ATOM 0 H SER B 179 8.020 -4.046 -5.488 1.00 11.02 H new ATOM 0 HA SER B 179 10.933 -3.881 -5.856 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.665 -4.262 -7.851 1.00 32.12 H new ATOM 0 HB3 SER B 179 10.365 -4.606 -8.105 1.00 32.12 H new ATOM 0 HG SER B 179 9.151 -6.529 -7.564 1.00 64.32 H new ATOM 951 N HIS B 180 9.408 -1.267 -5.930 1.00 24.01 N ATOM 952 CA HIS B 180 9.350 0.198 -6.186 1.00 14.12 C ATOM 953 C HIS B 180 10.709 0.790 -6.550 1.00 13.51 C ATOM 954 O HIS B 180 11.747 0.350 -6.051 1.00 60.24 O ATOM 955 CB HIS B 180 8.820 0.952 -4.933 1.00 1.42 C ATOM 956 CG HIS B 180 9.693 0.786 -3.691 1.00 74.51 C ATOM 957 ND1 HIS B 180 10.756 1.614 -3.379 1.00 63.40 N ATOM 958 CD2 HIS B 180 9.671 -0.152 -2.720 1.00 44.44 C ATOM 959 CE1 HIS B 180 11.345 1.180 -2.287 1.00 71.54 C ATOM 960 NE2 HIS B 180 10.704 0.115 -1.870 1.00 34.33 N ATOM 0 H HIS B 180 8.961 -1.532 -5.052 1.00 24.01 H new ATOM 0 HA HIS B 180 8.676 0.326 -7.033 1.00 14.12 H new ATOM 0 HB2 HIS B 180 8.739 2.013 -5.168 1.00 1.42 H new ATOM 0 HB3 HIS B 180 7.814 0.598 -4.707 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.039 2.435 -3.914 1.00 63.40 H new ATOM 0 HD2 HIS B 180 8.965 -0.965 -2.632 1.00 44.44 H new ATOM 0 HE1 HIS B 180 12.209 1.624 -1.814 1.00 71.54 H new ATOM 969 N GLU B 181 10.687 1.787 -7.384 1.00 2.23 N ATOM 970 CA GLU B 181 11.882 2.521 -7.731 1.00 3.54 C ATOM 971 C GLU B 181 11.821 3.911 -7.103 1.00 21.45 C ATOM 972 O GLU B 181 12.832 4.608 -6.990 1.00 41.00 O ATOM 973 CB GLU B 181 12.045 2.619 -9.234 1.00 22.41 C ATOM 974 CG GLU B 181 12.210 1.282 -9.922 1.00 21.45 C ATOM 975 CD GLU B 181 12.416 1.433 -11.392 1.00 4.11 C ATOM 976 OE1 GLU B 181 13.547 1.756 -11.814 1.00 21.44 O ATOM 977 OE2 GLU B 181 11.465 1.232 -12.167 1.00 34.25 O1- ATOM 0 H GLU B 181 9.842 2.120 -7.847 1.00 2.23 H new ATOM 0 HA GLU B 181 12.749 1.987 -7.342 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.175 3.126 -9.651 1.00 22.41 H new ATOM 0 HB3 GLU B 181 12.913 3.240 -9.456 1.00 22.41 H new ATOM 0 HG2 GLU B 181 13.059 0.754 -9.489 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.327 0.669 -9.740 1.00 21.45 H new ATOM 984 N ASN B 182 10.625 4.311 -6.718 1.00 1.10 N ATOM 985 CA ASN B 182 10.409 5.584 -6.016 1.00 51.53 C ATOM 986 C ASN B 182 10.717 5.410 -4.595 1.00 31.02 C ATOM 987 O ASN B 182 10.323 4.425 -3.935 1.00 72.11 O ATOM 988 CB ASN B 182 8.993 6.093 -6.205 1.00 70.24 C ATOM 989 CG ASN B 182 8.727 7.441 -5.558 1.00 71.13 C ATOM 990 OD1 ASN B 182 8.381 7.523 -4.381 1.00 53.24 O ATOM 991 ND2 ASN B 182 8.841 8.484 -6.312 1.00 41.44 N ATOM 0 H ASN B 182 9.773 3.774 -6.877 1.00 1.10 H new ATOM 0 HA ASN B 182 11.075 6.335 -6.441 1.00 51.53 H new ATOM 0 HB2 ASN B 182 8.784 6.167 -7.272 1.00 70.24 H new ATOM 0 HB3 ASN B 182 8.297 5.361 -5.794 1.00 70.24 H new ATOM 0 HD21 ASN B 182 8.642 9.410 -5.935 1.00 41.44 H new ATOM 0 HD22 ASN B 182 9.130 8.381 -7.285 1.00 41.44 H new ATOM 998 N GLU B 183 11.391 6.372 -4.142 1.00 21.41 N ATOM 999 CA GLU B 183 11.956 6.427 -2.901 1.00 75.53 C ATOM 1000 C GLU B 183 10.934 6.691 -1.779 1.00 53.13 C ATOM 1001 O GLU B 183 11.076 6.174 -0.693 1.00 62.23 O ATOM 1002 CB GLU B 183 13.047 7.480 -2.939 1.00 4.41 C ATOM 1003 CG GLU B 183 12.588 8.923 -3.221 1.00 71.12 C ATOM 1004 CD GLU B 183 12.501 9.294 -4.685 1.00 70.35 C ATOM 1005 OE1 GLU B 183 11.781 8.639 -5.439 1.00 74.32 O ATOM 1006 OE2 GLU B 183 13.133 10.297 -5.095 1.00 10.34 O1- ATOM 0 H GLU B 183 11.570 7.212 -4.692 1.00 21.41 H new ATOM 0 HA GLU B 183 12.379 5.452 -2.658 1.00 75.53 H new ATOM 0 HB2 GLU B 183 13.569 7.467 -1.982 1.00 4.41 H new ATOM 0 HB3 GLU B 183 13.772 7.195 -3.702 1.00 4.41 H new ATOM 0 HG2 GLU B 183 11.609 9.072 -2.766 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.276 9.610 -2.728 1.00 71.12 H new ATOM 1013 N LYS B 184 9.907 7.473 -2.038 1.00 31.52 N ATOM 1014 CA LYS B 184 8.932 7.787 -0.999 1.00 55.01 C ATOM 1015 C LYS B 184 7.841 6.738 -0.888 1.00 72.22 C ATOM 1016 O LYS B 184 7.215 6.586 0.166 1.00 13.24 O ATOM 1017 CB LYS B 184 8.359 9.187 -1.157 1.00 13.15 C ATOM 1018 CG LYS B 184 9.414 10.265 -0.999 1.00 23.11 C ATOM 1019 CD LYS B 184 8.818 11.651 -0.975 1.00 51.20 C ATOM 1020 CE LYS B 184 9.905 12.694 -0.797 1.00 41.21 C ATOM 1021 NZ LYS B 184 9.356 14.054 -0.711 1.00 13.42 N1+ ATOM 0 H LYS B 184 9.721 7.901 -2.945 1.00 31.52 H new ATOM 0 HA LYS B 184 9.476 7.769 -0.054 1.00 55.01 H new ATOM 0 HB2 LYS B 184 7.895 9.278 -2.139 1.00 13.15 H new ATOM 0 HB3 LYS B 184 7.573 9.341 -0.418 1.00 13.15 H new ATOM 0 HG2 LYS B 184 9.969 10.095 -0.076 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.129 10.194 -1.819 1.00 23.11 H new ATOM 0 HD2 LYS B 184 8.276 11.836 -1.903 1.00 51.20 H new ATOM 0 HD3 LYS B 184 8.095 11.728 -0.163 1.00 51.20 H new ATOM 0 HE2 LYS B 184 10.473 12.475 0.107 1.00 41.21 H new ATOM 0 HE3 LYS B 184 10.602 12.637 -1.633 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 10.133 14.735 -0.590 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 8.836 14.274 -1.584 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 8.710 14.117 0.102 1.00 13.42 H new ATOM 1035 N ILE B 185 7.636 6.004 -1.972 1.00 60.21 N ATOM 1036 CA ILE B 185 6.653 4.928 -2.029 1.00 75.21 C ATOM 1037 C ILE B 185 6.874 3.885 -0.917 1.00 0.43 C ATOM 1038 O ILE B 185 5.915 3.366 -0.338 1.00 60.43 O ATOM 1039 CB ILE B 185 6.704 4.223 -3.408 1.00 72.20 C ATOM 1040 CG1 ILE B 185 6.098 5.148 -4.455 1.00 53.13 C ATOM 1041 CG2 ILE B 185 6.017 2.850 -3.391 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.968 4.536 -5.820 1.00 52.31 C ATOM 0 H ILE B 185 8.149 6.138 -2.843 1.00 60.21 H new ATOM 0 HA ILE B 185 5.673 5.382 -1.880 1.00 75.21 H new ATOM 0 HB ILE B 185 7.745 4.024 -3.661 1.00 72.20 H new ATOM 0 HG12 ILE B 185 5.111 5.464 -4.116 1.00 53.13 H new ATOM 0 HG13 ILE B 185 6.712 6.045 -4.529 1.00 53.13 H new ATOM 0 HG21 ILE B 185 6.081 2.399 -4.381 1.00 64.03 H new ATOM 0 HG22 ILE B 185 6.512 2.204 -2.665 1.00 64.03 H new ATOM 0 HG23 ILE B 185 4.970 2.971 -3.114 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.528 5.262 -6.504 1.00 52.31 H new ATOM 0 HD12 ILE B 185 6.954 4.246 -6.184 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.328 3.655 -5.765 1.00 52.31 H new ATOM 1054 N GLN B 186 8.152 3.626 -0.601 1.00 51.04 N ATOM 1055 CA GLN B 186 8.538 2.603 0.373 1.00 13.34 C ATOM 1056 C GLN B 186 7.864 2.794 1.702 1.00 43.21 C ATOM 1057 O GLN B 186 7.312 1.865 2.240 1.00 14.42 O ATOM 1058 CB GLN B 186 10.052 2.541 0.541 1.00 3.31 C ATOM 1059 CG GLN B 186 10.726 3.796 1.070 1.00 30.13 C ATOM 1060 CD GLN B 186 12.237 3.682 1.075 1.00 33.34 C ATOM 1061 OE1 GLN B 186 12.823 2.973 0.250 1.00 41.14 O ATOM 1062 NE2 GLN B 186 12.875 4.394 1.960 1.00 12.44 N ATOM 0 H GLN B 186 8.943 4.121 -1.014 1.00 51.04 H new ATOM 0 HA GLN B 186 8.197 1.649 -0.028 1.00 13.34 H new ATOM 0 HB2 GLN B 186 10.287 1.717 1.215 1.00 3.31 H new ATOM 0 HB3 GLN B 186 10.493 2.298 -0.426 1.00 3.31 H new ATOM 0 HG2 GLN B 186 10.431 4.649 0.459 1.00 30.13 H new ATOM 0 HG3 GLN B 186 10.376 3.994 2.083 1.00 30.13 H new ATOM 0 HE21 GLN B 186 12.355 4.967 2.625 1.00 12.44 H new ATOM 0 HE22 GLN B 186 13.894 4.378 1.988 1.00 12.44 H new ATOM 1071 N LYS B 187 7.870 4.013 2.173 1.00 22.52 N ATOM 1072 CA LYS B 187 7.295 4.366 3.459 1.00 74.33 C ATOM 1073 C LYS B 187 5.806 4.002 3.533 1.00 72.42 C ATOM 1074 O LYS B 187 5.325 3.519 4.554 1.00 44.24 O ATOM 1075 CB LYS B 187 7.475 5.847 3.724 1.00 51.52 C ATOM 1076 CG LYS B 187 7.134 6.188 5.146 1.00 61.53 C ATOM 1077 CD LYS B 187 7.287 7.642 5.464 1.00 22.21 C ATOM 1078 CE LYS B 187 6.304 8.500 4.689 1.00 31.44 C ATOM 1079 NZ LYS B 187 6.402 9.934 5.029 1.00 31.33 N1+ ATOM 0 H LYS B 187 8.278 4.804 1.674 1.00 22.52 H new ATOM 0 HA LYS B 187 7.820 3.793 4.223 1.00 74.33 H new ATOM 0 HB2 LYS B 187 8.506 6.134 3.515 1.00 51.52 H new ATOM 0 HB3 LYS B 187 6.841 6.420 3.047 1.00 51.52 H new ATOM 0 HG2 LYS B 187 6.106 5.886 5.347 1.00 61.53 H new ATOM 0 HG3 LYS B 187 7.772 5.609 5.813 1.00 61.53 H new ATOM 0 HD2 LYS B 187 7.139 7.797 6.533 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.304 7.958 5.234 1.00 22.21 H new ATOM 0 HE2 LYS B 187 6.481 8.372 3.621 1.00 31.44 H new ATOM 0 HE3 LYS B 187 5.290 8.153 4.888 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 5.709 10.471 4.471 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 6.207 10.065 6.042 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 7.360 10.277 4.814 1.00 31.33 H new ATOM 1093 N GLU B 188 5.108 4.175 2.424 1.00 1.40 N ATOM 1094 CA GLU B 188 3.681 3.906 2.370 1.00 41.11 C ATOM 1095 C GLU B 188 3.439 2.401 2.309 1.00 55.30 C ATOM 1096 O GLU B 188 2.469 1.888 2.866 1.00 1.32 O ATOM 1097 CB GLU B 188 3.055 4.588 1.157 1.00 0.21 C ATOM 1098 CG GLU B 188 3.370 6.075 1.047 1.00 71.14 C ATOM 1099 CD GLU B 188 2.979 6.862 2.270 1.00 11.41 C ATOM 1100 OE1 GLU B 188 1.798 7.167 2.442 1.00 62.41 O1- ATOM 1101 OE2 GLU B 188 3.871 7.220 3.071 1.00 31.44 O ATOM 0 H GLU B 188 5.508 4.502 1.545 1.00 1.40 H new ATOM 0 HA GLU B 188 3.215 4.306 3.270 1.00 41.11 H new ATOM 0 HB2 GLU B 188 3.401 4.087 0.253 1.00 0.21 H new ATOM 0 HB3 GLU B 188 1.973 4.459 1.199 1.00 0.21 H new ATOM 0 HG2 GLU B 188 4.438 6.200 0.870 1.00 71.14 H new ATOM 0 HG3 GLU B 188 2.853 6.485 0.180 1.00 71.14 H new ATOM 1108 N ALA B 189 4.337 1.702 1.637 1.00 22.15 N ATOM 1109 CA ALA B 189 4.272 0.257 1.546 1.00 34.34 C ATOM 1110 C ALA B 189 4.560 -0.355 2.920 1.00 10.01 C ATOM 1111 O ALA B 189 3.840 -1.254 3.390 1.00 70.11 O ATOM 1112 CB ALA B 189 5.267 -0.246 0.509 1.00 52.44 C ATOM 0 H ALA B 189 5.126 2.118 1.143 1.00 22.15 H new ATOM 0 HA ALA B 189 3.273 -0.044 1.232 1.00 34.34 H new ATOM 0 HB1 ALA B 189 5.211 -1.333 0.448 1.00 52.44 H new ATOM 0 HB2 ALA B 189 5.028 0.185 -0.463 1.00 52.44 H new ATOM 0 HB3 ALA B 189 6.275 0.049 0.799 1.00 52.44 H new ATOM 1118 N GLN B 190 5.590 0.181 3.580 1.00 64.45 N ATOM 1119 CA GLN B 190 6.004 -0.249 4.906 1.00 73.23 C ATOM 1120 C GLN B 190 4.893 -0.125 5.926 1.00 61.30 C ATOM 1121 O GLN B 190 4.888 -0.864 6.889 1.00 21.21 O ATOM 1122 CB GLN B 190 7.213 0.527 5.385 1.00 2.33 C ATOM 1123 CG GLN B 190 8.452 0.331 4.547 1.00 20.12 C ATOM 1124 CD GLN B 190 9.607 1.193 5.014 1.00 2.31 C ATOM 1125 OE1 GLN B 190 9.408 2.273 5.571 1.00 32.22 O ATOM 1126 NE2 GLN B 190 10.808 0.747 4.782 1.00 62.14 N ATOM 0 H GLN B 190 6.163 0.934 3.199 1.00 64.45 H new ATOM 0 HA GLN B 190 6.265 -1.303 4.813 1.00 73.23 H new ATOM 0 HB2 GLN B 190 6.965 1.588 5.402 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.434 0.235 6.412 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.748 -0.718 4.580 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.225 0.565 3.507 1.00 20.12 H new ATOM 0 HE21 GLN B 190 10.937 -0.152 4.318 1.00 62.14 H new ATOM 0 HE22 GLN B 190 11.620 1.297 5.064 1.00 62.14 H new ATOM 1135 N GLU B 191 3.947 0.796 5.708 1.00 20.43 N ATOM 1136 CA GLU B 191 2.830 0.977 6.573 1.00 21.04 C ATOM 1137 C GLU B 191 2.084 -0.253 6.732 1.00 11.53 C ATOM 1138 O GLU B 191 1.938 -0.752 7.832 1.00 43.14 O ATOM 1139 CB GLU B 191 1.912 1.990 5.993 1.00 13.23 C ATOM 1140 CG GLU B 191 2.449 3.315 6.120 1.00 73.14 C ATOM 1141 CD GLU B 191 2.449 3.785 7.547 1.00 25.30 C ATOM 1142 OE1 GLU B 191 1.427 4.359 7.984 1.00 63.00 O ATOM 1143 OE2 GLU B 191 3.456 3.582 8.265 1.00 14.54 O1- ATOM 0 H GLU B 191 3.958 1.432 4.910 1.00 20.43 H new ATOM 0 HA GLU B 191 3.211 1.299 7.542 1.00 21.04 H new ATOM 0 HB2 GLU B 191 1.738 1.765 4.941 1.00 13.23 H new ATOM 0 HB3 GLU B 191 0.946 1.937 6.495 1.00 13.23 H new ATOM 0 HG2 GLU B 191 3.467 3.333 5.732 1.00 73.14 H new ATOM 0 HG3 GLU B 191 1.864 4.004 5.511 1.00 73.14 H new ATOM 1150 N ALA B 192 1.653 -0.789 5.633 1.00 12.05 N ATOM 1151 CA ALA B 192 0.804 -1.900 5.714 1.00 52.44 C ATOM 1152 C ALA B 192 1.584 -3.131 6.172 1.00 63.31 C ATOM 1153 O ALA B 192 1.068 -3.951 6.911 1.00 62.12 O ATOM 1154 CB ALA B 192 0.012 -2.141 4.433 1.00 12.11 C ATOM 0 H ALA B 192 1.879 -0.471 4.691 1.00 12.05 H new ATOM 0 HA ALA B 192 0.049 -1.684 6.470 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.627 -3.015 4.559 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.605 -1.269 4.217 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.701 -2.312 3.606 1.00 12.11 H new ATOM 1160 N LEU B 193 2.852 -3.182 5.767 1.00 21.32 N ATOM 1161 CA LEU B 193 3.799 -4.235 6.108 1.00 65.15 C ATOM 1162 C LEU B 193 3.822 -4.407 7.610 1.00 0.51 C ATOM 1163 O LEU B 193 3.546 -5.473 8.161 1.00 31.01 O ATOM 1164 CB LEU B 193 5.178 -3.736 5.629 1.00 24.10 C ATOM 1165 CG LEU B 193 6.377 -4.687 5.643 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.415 -4.194 4.646 1.00 41.22 C ATOM 1167 CD2 LEU B 193 7.001 -4.676 7.018 1.00 3.03 C ATOM 0 H LEU B 193 3.260 -2.463 5.170 1.00 21.32 H new ATOM 0 HA LEU B 193 3.534 -5.188 5.649 1.00 65.15 H new ATOM 0 HB2 LEU B 193 5.058 -3.379 4.606 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.441 -2.872 6.239 1.00 24.10 H new ATOM 0 HG LEU B 193 6.047 -5.693 5.383 1.00 35.55 H new ATOM 0 HD11 LEU B 193 8.272 -4.867 4.651 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.978 -4.170 3.648 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.739 -3.191 4.924 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.856 -5.352 7.035 1.00 3.03 H new ATOM 0 HD22 LEU B 193 7.332 -3.666 7.259 1.00 3.03 H new ATOM 0 HD23 LEU B 193 6.266 -5.002 7.754 1.00 3.03 H new ATOM 1179 N GLU B 194 4.132 -3.325 8.233 1.00 32.42 N ATOM 1180 CA GLU B 194 4.257 -3.170 9.564 1.00 1.13 C ATOM 1181 C GLU B 194 2.964 -3.439 10.300 1.00 25.31 C ATOM 1182 O GLU B 194 2.867 -4.322 11.141 1.00 45.10 O ATOM 1183 CB GLU B 194 4.637 -1.730 9.691 1.00 42.50 C ATOM 1184 CG GLU B 194 4.651 -1.297 11.071 1.00 61.52 C ATOM 1185 CD GLU B 194 5.385 -0.013 11.326 1.00 43.35 C ATOM 1186 OE1 GLU B 194 4.801 1.086 11.139 1.00 73.13 O ATOM 1187 OE2 GLU B 194 6.553 -0.067 11.753 1.00 14.30 O1- ATOM 0 H GLU B 194 4.315 -2.457 7.729 1.00 32.42 H new ATOM 0 HA GLU B 194 4.977 -3.865 9.997 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.622 -1.574 9.251 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.935 -1.118 9.125 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.622 -1.183 11.411 1.00 61.52 H new ATOM 0 HG3 GLU B 194 5.102 -2.082 11.678 1.00 61.52 H new ATOM 1194 N LYS B 195 2.012 -2.682 9.949 1.00 35.45 N ATOM 1195 CA LYS B 195 0.774 -2.595 10.604 1.00 0.22 C ATOM 1196 C LYS B 195 -0.122 -3.832 10.496 1.00 34.32 C ATOM 1197 O LYS B 195 -0.894 -4.117 11.431 1.00 24.42 O ATOM 1198 CB LYS B 195 0.110 -1.330 10.130 1.00 52.22 C ATOM 1199 CG LYS B 195 0.722 -0.076 10.738 1.00 23.11 C ATOM 1200 CD LYS B 195 0.141 1.196 10.159 1.00 42.32 C ATOM 1201 CE LYS B 195 0.746 2.411 10.842 1.00 61.10 C ATOM 1202 NZ LYS B 195 0.248 3.682 10.283 1.00 34.23 N1+ ATOM 0 H LYS B 195 2.078 -2.063 9.141 1.00 35.45 H new ATOM 0 HA LYS B 195 0.956 -2.558 11.678 1.00 0.22 H new ATOM 0 HB2 LYS B 195 0.182 -1.273 9.044 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -0.951 -1.367 10.378 1.00 52.22 H new ATOM 0 HG2 LYS B 195 0.563 -0.085 11.816 1.00 23.11 H new ATOM 0 HG3 LYS B 195 1.800 -0.086 10.574 1.00 23.11 H new ATOM 0 HD2 LYS B 195 0.336 1.238 9.087 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -0.942 1.200 10.286 1.00 42.32 H new ATOM 0 HE2 LYS B 195 0.521 2.374 11.908 1.00 61.10 H new ATOM 0 HE3 LYS B 195 1.831 2.376 10.744 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 0.025 4.338 11.058 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 0.978 4.102 9.673 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 -0.610 3.503 9.723 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.058 -4.570 9.408 1.00 42.45 N ATOM 1217 CA LEU B 196 -0.884 -5.685 9.291 1.00 65.11 C ATOM 1218 C LEU B 196 -0.257 -6.919 9.917 1.00 32.01 C ATOM 1219 O LEU B 196 -0.936 -7.676 10.614 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.255 -5.908 7.830 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.362 -6.779 6.924 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.748 -8.248 7.036 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.459 -6.322 5.489 1.00 63.35 C ATOM 0 H LEU B 196 0.561 -4.396 8.616 1.00 42.45 H new ATOM 0 HA LEU B 196 -1.802 -5.495 9.848 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.254 -6.344 7.814 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.329 -4.926 7.362 1.00 75.42 H new ATOM 0 HG LEU B 196 0.670 -6.668 7.257 1.00 24.30 H new ATOM 0 HD11 LEU B 196 -0.105 -8.844 6.388 1.00 63.01 H new ATOM 0 HD12 LEU B 196 -0.629 -8.578 8.068 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -1.787 -8.375 6.732 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.178 -6.948 4.864 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -1.492 -6.403 5.150 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.133 -5.285 5.415 1.00 63.35 H new ATOM 1235 N GLN B 197 1.018 -7.109 9.666 1.00 54.12 N ATOM 1236 CA GLN B 197 1.719 -8.296 10.109 1.00 1.52 C ATOM 1237 C GLN B 197 1.866 -8.345 11.626 1.00 14.31 C ATOM 1238 O GLN B 197 1.875 -7.303 12.303 1.00 23.34 O ATOM 1239 CB GLN B 197 3.064 -8.443 9.396 1.00 12.04 C ATOM 1240 CG GLN B 197 2.934 -8.738 7.904 1.00 14.33 C ATOM 1241 CD GLN B 197 4.268 -8.824 7.181 1.00 33.32 C ATOM 1242 OE1 GLN B 197 4.783 -7.836 6.665 1.00 54.42 O ATOM 1243 NE2 GLN B 197 4.836 -9.994 7.132 1.00 34.25 N ATOM 0 H GLN B 197 1.599 -6.448 9.150 1.00 54.12 H new ATOM 0 HA GLN B 197 1.108 -9.155 9.832 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.638 -7.526 9.528 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.631 -9.245 9.869 1.00 12.04 H new ATOM 0 HG2 GLN B 197 2.399 -9.678 7.774 1.00 14.33 H new ATOM 0 HG3 GLN B 197 2.328 -7.960 7.440 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.386 -10.798 7.569 1.00 34.25 H new ATOM 0 HE22 GLN B 197 5.731 -10.107 6.656 1.00 34.25 H new ATOM 1252 N SER B 198 1.946 -9.546 12.154 1.00 33.54 N ATOM 1253 CA SER B 198 2.034 -9.766 13.573 1.00 12.43 C ATOM 1254 C SER B 198 3.381 -9.297 14.122 1.00 1.54 C ATOM 1255 O SER B 198 4.435 -9.609 13.562 1.00 24.20 O ATOM 1256 CB SER B 198 1.848 -11.251 13.857 1.00 25.00 C ATOM 1257 OG SER B 198 0.664 -11.741 13.231 1.00 4.45 O ATOM 0 H SER B 198 1.952 -10.403 11.601 1.00 33.54 H new ATOM 0 HA SER B 198 1.252 -9.189 14.067 1.00 12.43 H new ATOM 0 HB2 SER B 198 2.713 -11.806 13.495 1.00 25.00 H new ATOM 0 HB3 SER B 198 1.791 -11.416 14.933 1.00 25.00 H new ATOM 0 HG SER B 198 0.563 -12.697 13.424 1.00 4.45 H new ATOM 1263 N HIS B 199 3.343 -8.536 15.187 1.00 64.41 N ATOM 1264 CA HIS B 199 4.550 -8.077 15.838 1.00 72.30 C ATOM 1265 C HIS B 199 4.830 -8.984 16.985 1.00 63.44 C ATOM 1266 O HIS B 199 5.805 -9.746 16.926 1.00 64.51 O ATOM 1267 CB HIS B 199 4.449 -6.622 16.324 1.00 55.12 C ATOM 1268 CG HIS B 199 4.353 -5.619 15.226 1.00 44.44 C ATOM 1269 ND1 HIS B 199 4.032 -4.306 15.436 1.00 1.01 N ATOM 1270 CD2 HIS B 199 4.553 -5.743 13.897 1.00 11.40 C ATOM 1271 CE1 HIS B 199 4.033 -3.670 14.292 1.00 1.32 C ATOM 1272 NE2 HIS B 199 4.345 -4.522 13.340 1.00 12.31 N ATOM 0 H HIS B 199 2.480 -8.217 15.628 1.00 64.41 H new ATOM 0 HA HIS B 199 5.363 -8.100 15.112 1.00 72.30 H new ATOM 0 HB2 HIS B 199 3.575 -6.525 16.968 1.00 55.12 H new ATOM 0 HB3 HIS B 199 5.322 -6.393 16.935 1.00 55.12 H new ATOM 0 HD2 HIS B 199 4.828 -6.647 13.373 1.00 11.40 H new ATOM 0 HE1 HIS B 199 3.814 -2.622 14.153 1.00 1.32 H new ATOM 0 HE2 HIS B 199 4.419 -4.302 12.347 1.00 12.31 H new