USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 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 145 GLN : amide:sc= -0.626! K(o=0.19!,f=-7) USER MOD Set 1.2: B 184 LYS NZ :NH3+ -145:sc= 0.818 (180deg=-2.64!) USER MOD Single : B 134 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.3!) USER MOD Single : B 137 SER OG : rot -34:sc= 0.213 USER MOD Single : B 138 SER OG : rot -115:sc= -2.04! USER MOD Single : B 140 ASN : amide:sc= -10.3! C(o=-10!,f=-19!) USER MOD Single : B 142 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.042) USER MOD Single : B 152 SER OG : rot -89:sc= 0.175 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 159 ASN : amide:sc=-0.00214 K(o=-0.0021,f=-0.89) USER MOD Single : B 161 GLN : amide:sc= -2.24! C(o=-2.2!,f=-4.4!) USER MOD Single : B 162 LYS NZ :NH3+ 160:sc= 0.713 (180deg=0.498) USER MOD Single : B 163 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.29) USER MOD Single : B 166 LYS NZ :NH3+ -156:sc= -0.107 (180deg=-0.628) USER MOD Single : B 173 LYS NZ :NH3+ -143:sc= 0.0888 (180deg=0) USER MOD Single : B 176 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.072) USER MOD Single : B 178 GLN : amide:sc= -1.59! C(o=-1.6!,f=-6.1!) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HE2:sc= -0.242 K(o=-0.24,f=-4.2!) USER MOD Single : B 182 ASN : amide:sc= 0.638 K(o=0.64,f=-5.5!) USER MOD Single : B 186 GLN : amide:sc= 0.57 K(o=0.57,f=-0.57) USER MOD Single : B 187 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0146) USER MOD Single : B 190 GLN : amide:sc= -0.38 K(o=-0.38,f=-1) USER MOD Single : B 195 LYS NZ :NH3+ -179:sc= 0.889 (180deg=0.882) USER MOD Single : B 197 GLN : amide:sc= -0.019 K(o=-0.019,f=-0.95) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.710 -3.405 0.067 1.00 55.53 N ATOM 177 CA LEU B 129 -12.532 -2.982 0.828 1.00 45.21 C ATOM 178 C LEU B 129 -11.165 -3.148 0.117 1.00 33.52 C ATOM 179 O LEU B 129 -10.291 -2.336 0.348 1.00 22.43 O ATOM 180 CB LEU B 129 -12.502 -3.487 2.282 1.00 71.14 C ATOM 181 CG LEU B 129 -13.609 -2.943 3.210 1.00 72.10 C ATOM 182 CD1 LEU B 129 -14.945 -3.637 2.980 1.00 71.02 C ATOM 183 CD2 LEU B 129 -13.190 -3.011 4.667 1.00 45.41 C ATOM 0 HA LEU B 129 -12.677 -1.903 0.878 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.568 -4.575 2.269 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -11.535 -3.232 2.715 1.00 71.14 H new ATOM 0 HG LEU B 129 -13.752 -1.893 2.954 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -15.692 -3.221 3.656 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -15.262 -3.483 1.949 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -14.838 -4.705 3.171 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -13.991 -2.621 5.295 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -12.988 -4.047 4.939 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -12.290 -2.414 4.815 1.00 45.41 H new ATOM 195 N PRO B 130 -10.921 -4.188 -0.761 1.00 0.32 N ATOM 196 CA PRO B 130 -9.687 -4.262 -1.559 1.00 63.11 C ATOM 197 C PRO B 130 -9.367 -2.988 -2.324 1.00 21.50 C ATOM 198 O PRO B 130 -8.238 -2.783 -2.692 1.00 1.14 O ATOM 199 CB PRO B 130 -9.967 -5.375 -2.546 1.00 74.52 C ATOM 200 CG PRO B 130 -10.862 -6.286 -1.808 1.00 3.43 C ATOM 201 CD PRO B 130 -11.740 -5.397 -0.981 1.00 14.32 C ATOM 0 HA PRO B 130 -8.826 -4.424 -0.910 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.441 -4.996 -3.452 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.050 -5.878 -2.852 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.453 -6.896 -2.492 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.294 -6.972 -1.180 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.669 -5.160 -1.499 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.013 -5.871 -0.038 1.00 14.32 H new ATOM 209 N ALA B 131 -10.357 -2.126 -2.517 1.00 12.31 N ATOM 210 CA ALA B 131 -10.187 -0.882 -3.253 1.00 41.31 C ATOM 211 C ALA B 131 -9.086 -0.018 -2.673 1.00 3.12 C ATOM 212 O ALA B 131 -8.328 0.602 -3.406 1.00 52.45 O ATOM 213 CB ALA B 131 -11.473 -0.109 -3.282 1.00 12.14 C ATOM 0 H ALA B 131 -11.304 -2.271 -2.166 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.898 -1.152 -4.269 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.328 0.818 -3.836 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.245 -0.705 -3.768 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.782 0.122 -2.262 1.00 12.14 H new ATOM 219 N LEU B 132 -8.982 -0.021 -1.366 1.00 31.23 N ATOM 220 CA LEU B 132 -7.982 0.764 -0.679 1.00 71.30 C ATOM 221 C LEU B 132 -6.593 0.128 -0.853 1.00 32.55 C ATOM 222 O LEU B 132 -5.571 0.792 -0.776 1.00 34.51 O ATOM 223 CB LEU B 132 -8.398 0.927 0.806 1.00 34.00 C ATOM 224 CG LEU B 132 -8.552 -0.364 1.635 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.244 -0.832 2.251 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.654 -0.236 2.671 1.00 65.03 C ATOM 0 H LEU B 132 -9.585 -0.565 -0.749 1.00 31.23 H new ATOM 0 HA LEU B 132 -7.915 1.762 -1.112 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.659 1.559 1.298 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.346 1.464 0.835 1.00 34.00 H new ATOM 0 HG LEU B 132 -8.850 -1.145 0.935 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.417 -1.744 2.822 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.520 -1.030 1.461 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.856 -0.058 2.913 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.733 -1.165 3.235 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.421 0.583 3.351 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.601 -0.034 2.171 1.00 65.03 H new ATOM 238 N VAL B 133 -6.581 -1.167 -1.064 1.00 20.30 N ATOM 239 CA VAL B 133 -5.358 -1.902 -1.269 1.00 2.44 C ATOM 240 C VAL B 133 -4.914 -1.867 -2.722 1.00 41.43 C ATOM 241 O VAL B 133 -3.753 -2.092 -3.039 1.00 11.14 O ATOM 242 CB VAL B 133 -5.489 -3.348 -0.756 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.656 -4.385 -1.819 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.404 -3.673 0.185 1.00 60.04 C ATOM 0 H VAL B 133 -7.423 -1.742 -1.098 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.580 -1.409 -0.686 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.435 -3.381 -0.216 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.739 -5.369 -1.358 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.559 -4.176 -2.393 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -4.792 -4.368 -2.483 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.519 -4.700 0.533 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.443 -3.566 -0.317 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -4.446 -2.994 1.037 1.00 60.04 H new ATOM 254 N GLN B 134 -5.860 -1.608 -3.584 1.00 51.03 N ATOM 255 CA GLN B 134 -5.652 -1.632 -5.030 1.00 1.43 C ATOM 256 C GLN B 134 -4.529 -0.714 -5.459 1.00 10.22 C ATOM 257 O GLN B 134 -3.661 -1.078 -6.262 1.00 3.33 O ATOM 258 CB GLN B 134 -6.917 -1.284 -5.810 1.00 62.21 C ATOM 259 CG GLN B 134 -8.010 -2.296 -5.673 1.00 72.32 C ATOM 260 CD GLN B 134 -9.253 -1.986 -6.504 1.00 12.24 C ATOM 261 OE1 GLN B 134 -10.367 -2.337 -6.130 1.00 42.42 O ATOM 262 NE2 GLN B 134 -9.072 -1.360 -7.638 1.00 42.35 N ATOM 0 H GLN B 134 -6.814 -1.370 -3.311 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.376 -2.660 -5.265 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.287 -0.316 -5.471 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.664 -1.177 -6.865 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -7.625 -3.273 -5.965 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.296 -2.367 -4.624 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.133 -1.081 -7.922 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -9.870 -1.151 -8.238 1.00 42.35 H new ATOM 271 N LEU B 135 -4.556 0.458 -4.903 1.00 31.00 N ATOM 272 CA LEU B 135 -3.545 1.485 -5.161 1.00 53.40 C ATOM 273 C LEU B 135 -2.159 1.071 -4.686 1.00 44.52 C ATOM 274 O LEU B 135 -1.177 1.575 -5.179 1.00 61.22 O ATOM 275 CB LEU B 135 -3.922 2.873 -4.587 1.00 12.34 C ATOM 276 CG LEU B 135 -4.466 2.914 -3.152 1.00 11.04 C ATOM 277 CD1 LEU B 135 -4.123 4.247 -2.486 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.983 2.757 -3.189 1.00 52.53 C ATOM 0 H LEU B 135 -5.281 0.750 -4.247 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.515 1.582 -6.246 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -3.038 3.509 -4.631 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.668 3.319 -5.244 1.00 12.34 H new ATOM 0 HG LEU B 135 -4.012 2.104 -2.581 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.517 4.258 -1.470 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -3.041 4.371 -2.457 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.567 5.063 -3.056 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.377 2.785 -2.173 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.419 3.570 -3.770 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.239 1.803 -3.651 1.00 52.53 H new ATOM 290 N LEU B 136 -2.090 0.119 -3.773 1.00 21.22 N ATOM 291 CA LEU B 136 -0.866 -0.373 -3.235 1.00 44.41 C ATOM 292 C LEU B 136 -0.224 -1.400 -4.162 1.00 40.11 C ATOM 293 O LEU B 136 0.903 -1.811 -3.956 1.00 61.31 O ATOM 294 CB LEU B 136 -1.179 -0.998 -1.894 1.00 1.14 C ATOM 295 CG LEU B 136 -1.261 -0.069 -0.680 1.00 52.41 C ATOM 296 CD1 LEU B 136 -1.670 -0.851 0.555 1.00 41.23 C ATOM 297 CD2 LEU B 136 0.077 0.629 -0.440 1.00 34.05 C ATOM 0 H LEU B 136 -2.916 -0.336 -3.384 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.154 0.445 -3.126 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -2.131 -1.521 -1.981 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.419 -1.752 -1.689 1.00 1.14 H new ATOM 0 HG LEU B 136 -2.015 0.691 -0.883 1.00 52.41 H new ATOM 0 HD11 LEU B 136 -1.724 -0.178 1.411 1.00 41.23 H new ATOM 0 HD12 LEU B 136 -2.646 -1.307 0.390 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.934 -1.630 0.753 1.00 41.23 H new ATOM 0 HD21 LEU B 136 -0.005 1.284 0.427 1.00 34.05 H new ATOM 0 HD22 LEU B 136 0.850 -0.118 -0.259 1.00 34.05 H new ATOM 0 HD23 LEU B 136 0.342 1.220 -1.317 1.00 34.05 H new ATOM 309 N SER B 137 -0.944 -1.800 -5.177 1.00 11.45 N ATOM 310 CA SER B 137 -0.458 -2.787 -6.103 1.00 2.00 C ATOM 311 C SER B 137 -0.353 -2.168 -7.507 1.00 23.45 C ATOM 312 O SER B 137 -0.277 -2.880 -8.521 1.00 1.12 O ATOM 313 CB SER B 137 -1.409 -4.005 -6.083 1.00 70.13 C ATOM 314 OG SER B 137 -1.009 -5.029 -6.981 1.00 44.15 O ATOM 0 H SER B 137 -1.880 -1.452 -5.384 1.00 11.45 H new ATOM 0 HA SER B 137 0.537 -3.125 -5.815 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.452 -4.411 -5.072 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.417 -3.678 -6.338 1.00 70.13 H new ATOM 0 HG SER B 137 -0.605 -4.626 -7.778 1.00 44.15 H new ATOM 320 N SER B 138 -0.315 -0.860 -7.544 1.00 30.13 N ATOM 321 CA SER B 138 -0.233 -0.103 -8.749 1.00 70.24 C ATOM 322 C SER B 138 1.149 -0.288 -9.432 1.00 64.22 C ATOM 323 O SER B 138 2.151 -0.562 -8.763 1.00 31.04 O ATOM 324 CB SER B 138 -0.428 1.355 -8.340 1.00 65.30 C ATOM 325 OG SER B 138 0.463 1.680 -7.307 1.00 2.10 O ATOM 0 H SER B 138 -0.342 -0.282 -6.704 1.00 30.13 H new ATOM 0 HA SER B 138 -0.985 -0.428 -9.468 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.261 2.008 -9.196 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.455 1.516 -8.012 1.00 65.30 H new ATOM 0 HG SER B 138 -0.041 1.883 -6.492 1.00 2.10 H new ATOM 331 N PRO B 139 1.211 -0.197 -10.775 1.00 3.54 N ATOM 332 CA PRO B 139 2.497 -0.156 -11.512 1.00 24.41 C ATOM 333 C PRO B 139 3.076 1.254 -11.347 1.00 3.55 C ATOM 334 O PRO B 139 4.291 1.505 -11.389 1.00 33.11 O ATOM 335 CB PRO B 139 2.034 -0.264 -12.984 1.00 51.14 C ATOM 336 CG PRO B 139 0.697 0.380 -12.923 1.00 12.24 C ATOM 337 CD PRO B 139 0.058 -0.174 -11.704 1.00 64.24 C ATOM 0 HA PRO B 139 3.219 -0.908 -11.195 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.708 0.255 -13.665 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.976 -1.299 -13.321 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.784 1.465 -12.864 1.00 12.24 H new ATOM 0 HG3 PRO B 139 0.110 0.155 -13.813 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -0.754 0.456 -11.340 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.359 -1.167 -11.871 1.00 64.24 H new ATOM 345 N ASN B 140 2.140 2.150 -11.149 1.00 23.02 N ATOM 346 CA ASN B 140 2.275 3.489 -11.125 1.00 20.23 C ATOM 347 C ASN B 140 2.514 3.979 -9.749 1.00 43.12 C ATOM 348 O ASN B 140 1.618 4.423 -9.051 1.00 34.53 O ATOM 349 CB ASN B 140 1.071 4.139 -11.842 1.00 62.14 C ATOM 350 CG ASN B 140 -0.248 3.374 -11.790 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.535 2.654 -10.885 1.00 54.34 O ATOM 352 ND2 ASN B 140 -1.041 3.537 -12.813 1.00 42.30 N ATOM 0 H ASN B 140 1.173 1.869 -10.988 1.00 23.02 H new ATOM 0 HA ASN B 140 3.164 3.790 -11.679 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.910 5.127 -11.410 1.00 62.14 H new ATOM 0 HB3 ASN B 140 1.337 4.288 -12.888 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -1.932 3.042 -12.852 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -0.770 4.160 -13.574 1.00 42.30 H new ATOM 359 N GLU B 141 3.752 3.831 -9.377 1.00 73.15 N ATOM 360 CA GLU B 141 4.314 4.227 -8.106 1.00 45.35 C ATOM 361 C GLU B 141 3.965 5.667 -7.795 1.00 73.44 C ATOM 362 O GLU B 141 3.613 6.019 -6.669 1.00 64.43 O ATOM 363 CB GLU B 141 5.815 4.089 -8.223 1.00 72.42 C ATOM 364 CG GLU B 141 6.286 2.663 -8.435 1.00 31.50 C ATOM 365 CD GLU B 141 7.744 2.582 -8.790 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.599 2.832 -7.934 1.00 72.31 O ATOM 367 OE2 GLU B 141 8.063 2.231 -9.940 1.00 2.24 O1- ATOM 0 H GLU B 141 4.446 3.403 -9.989 1.00 73.15 H new ATOM 0 HA GLU B 141 3.916 3.603 -7.306 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.163 4.703 -9.053 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.278 4.484 -7.319 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.104 2.086 -7.528 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.697 2.204 -9.229 1.00 31.50 H new ATOM 374 N GLN B 142 4.037 6.480 -8.817 1.00 51.13 N ATOM 375 CA GLN B 142 3.719 7.878 -8.714 1.00 31.54 C ATOM 376 C GLN B 142 2.269 8.068 -8.297 1.00 51.24 C ATOM 377 O GLN B 142 1.998 8.768 -7.316 1.00 5.41 O ATOM 378 CB GLN B 142 3.963 8.579 -10.044 1.00 3.13 C ATOM 379 CG GLN B 142 5.400 8.523 -10.547 1.00 43.42 C ATOM 380 CD GLN B 142 6.397 9.143 -9.588 1.00 72.43 C ATOM 381 OE1 GLN B 142 6.949 8.472 -8.729 1.00 44.11 O ATOM 382 NE2 GLN B 142 6.650 10.416 -9.738 1.00 63.34 N ATOM 0 H GLN B 142 4.321 6.186 -9.752 1.00 51.13 H new ATOM 0 HA GLN B 142 4.367 8.317 -7.955 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.313 8.134 -10.797 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.669 9.624 -9.946 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.675 7.483 -10.724 1.00 43.42 H new ATOM 0 HG3 GLN B 142 5.462 9.037 -11.506 1.00 43.42 H new ATOM 0 HE21 GLN B 142 6.172 10.949 -10.465 1.00 63.34 H new ATOM 0 HE22 GLN B 142 7.325 10.877 -9.128 1.00 63.34 H new ATOM 391 N ILE B 143 1.334 7.408 -9.001 1.00 34.31 N ATOM 392 CA ILE B 143 -0.069 7.615 -8.677 1.00 21.53 C ATOM 393 C ILE B 143 -0.429 6.910 -7.391 1.00 1.45 C ATOM 394 O ILE B 143 -1.357 7.316 -6.715 1.00 53.35 O ATOM 395 CB ILE B 143 -1.035 7.251 -9.842 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.037 5.812 -10.144 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.582 7.920 -11.097 1.00 44.30 C ATOM 398 CD1 ILE B 143 -1.918 4.891 -9.368 1.00 51.44 C ATOM 0 H ILE B 143 1.520 6.757 -9.763 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.203 8.686 -8.525 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.027 7.570 -9.522 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.298 5.701 -11.196 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.013 5.455 -10.030 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.260 7.664 -11.911 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -0.580 9.000 -10.953 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.425 7.585 -11.345 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.786 3.871 -9.729 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.654 4.939 -8.312 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -2.959 5.189 -9.496 1.00 51.44 H new ATOM 410 N LEU B 144 0.312 5.829 -7.081 1.00 55.31 N ATOM 411 CA LEU B 144 0.187 5.141 -5.797 1.00 51.23 C ATOM 412 C LEU B 144 0.252 6.175 -4.679 1.00 35.13 C ATOM 413 O LEU B 144 -0.678 6.311 -3.900 1.00 44.33 O ATOM 414 CB LEU B 144 1.314 4.095 -5.629 1.00 3.21 C ATOM 415 CG LEU B 144 1.455 3.429 -4.240 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.763 1.970 -4.390 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.590 4.065 -3.466 1.00 24.12 C ATOM 0 H LEU B 144 1.003 5.418 -7.709 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.767 4.615 -5.757 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.158 3.308 -6.367 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.261 4.576 -5.871 1.00 3.21 H new ATOM 0 HG LEU B 144 0.513 3.563 -3.709 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.859 1.515 -3.404 1.00 13.41 H new ATOM 0 HD12 LEU B 144 0.956 1.482 -4.937 1.00 13.41 H new ATOM 0 HD13 LEU B 144 2.698 1.850 -4.938 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.678 3.587 -2.490 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.522 3.939 -4.017 1.00 24.12 H new ATOM 0 HD23 LEU B 144 2.388 5.128 -3.332 1.00 24.12 H new ATOM 429 N GLN B 145 1.350 6.929 -4.666 1.00 62.02 N ATOM 430 CA GLN B 145 1.591 8.019 -3.735 1.00 14.14 C ATOM 431 C GLN B 145 0.440 9.022 -3.731 1.00 53.32 C ATOM 432 O GLN B 145 -0.150 9.312 -2.686 1.00 13.44 O ATOM 433 CB GLN B 145 2.854 8.726 -4.177 1.00 31.14 C ATOM 434 CG GLN B 145 4.091 7.864 -4.097 1.00 35.44 C ATOM 435 CD GLN B 145 5.317 8.499 -4.726 1.00 5.04 C ATOM 436 OE1 GLN B 145 6.435 8.289 -4.270 1.00 4.41 O ATOM 437 NE2 GLN B 145 5.133 9.249 -5.779 1.00 60.40 N ATOM 0 H GLN B 145 2.117 6.790 -5.325 1.00 62.02 H new ATOM 0 HA GLN B 145 1.683 7.613 -2.727 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.727 9.070 -5.204 1.00 31.14 H new ATOM 0 HB3 GLN B 145 2.999 9.612 -3.559 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.303 7.644 -3.051 1.00 35.44 H new ATOM 0 HG3 GLN B 145 3.892 6.912 -4.589 1.00 35.44 H new ATOM 0 HE21 GLN B 145 4.190 9.405 -6.135 1.00 60.40 H new ATOM 0 HE22 GLN B 145 5.932 9.678 -6.245 1.00 60.40 H new ATOM 446 N GLU B 146 0.117 9.504 -4.912 1.00 55.14 N ATOM 447 CA GLU B 146 -0.908 10.525 -5.108 1.00 32.43 C ATOM 448 C GLU B 146 -2.300 10.069 -4.639 1.00 61.02 C ATOM 449 O GLU B 146 -3.090 10.876 -4.135 1.00 62.21 O ATOM 450 CB GLU B 146 -0.926 10.986 -6.571 1.00 61.15 C ATOM 451 CG GLU B 146 0.381 11.653 -7.002 1.00 73.43 C ATOM 452 CD GLU B 146 0.429 12.016 -8.470 1.00 74.32 C ATOM 453 OE1 GLU B 146 -0.012 13.122 -8.850 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 0.946 11.219 -9.275 1.00 3.34 O ATOM 0 H GLU B 146 0.560 9.199 -5.778 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.645 11.375 -4.479 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.119 10.128 -7.215 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -1.750 11.685 -6.716 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.529 12.556 -6.410 1.00 73.43 H new ATOM 0 HG3 GLU B 146 1.211 10.983 -6.776 1.00 73.43 H new ATOM 461 N ALA B 147 -2.594 8.796 -4.786 1.00 15.44 N ATOM 462 CA ALA B 147 -3.868 8.266 -4.348 1.00 72.45 C ATOM 463 C ALA B 147 -3.835 7.931 -2.872 1.00 11.52 C ATOM 464 O ALA B 147 -4.836 8.105 -2.171 1.00 71.22 O ATOM 465 CB ALA B 147 -4.273 7.051 -5.160 1.00 4.23 C ATOM 0 H ALA B 147 -1.969 8.108 -5.205 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.617 9.041 -4.510 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.234 6.679 -4.804 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.358 7.327 -6.211 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.519 6.272 -5.049 1.00 4.23 H new ATOM 471 N LEU B 148 -2.675 7.490 -2.385 1.00 50.13 N ATOM 472 CA LEU B 148 -2.501 7.119 -0.987 1.00 10.21 C ATOM 473 C LEU B 148 -2.856 8.253 -0.092 1.00 72.25 C ATOM 474 O LEU B 148 -3.430 8.048 0.926 1.00 11.01 O ATOM 475 CB LEU B 148 -1.062 6.706 -0.675 1.00 24.22 C ATOM 476 CG LEU B 148 -0.615 5.293 -1.022 1.00 12.12 C ATOM 477 CD1 LEU B 148 0.870 5.165 -0.754 1.00 75.04 C ATOM 478 CD2 LEU B 148 -1.374 4.269 -0.190 1.00 53.12 C ATOM 0 H LEU B 148 -1.833 7.381 -2.950 1.00 50.13 H new ATOM 0 HA LEU B 148 -3.163 6.271 -0.812 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.400 7.399 -1.194 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.901 6.851 0.393 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.823 5.104 -2.075 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.198 4.155 -1.000 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.414 5.883 -1.368 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.068 5.364 0.299 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -1.039 3.266 -0.454 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -1.185 4.448 0.868 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -2.442 4.359 -0.388 1.00 53.12 H new ATOM 490 N TRP B 149 -2.544 9.454 -0.514 1.00 72.11 N ATOM 491 CA TRP B 149 -2.802 10.638 0.273 1.00 73.33 C ATOM 492 C TRP B 149 -4.264 10.758 0.655 1.00 33.51 C ATOM 493 O TRP B 149 -4.587 11.183 1.762 1.00 12.44 O ATOM 494 CB TRP B 149 -2.401 11.872 -0.487 1.00 5.20 C ATOM 495 CG TRP B 149 -0.933 12.019 -0.754 1.00 21.45 C ATOM 496 CD1 TRP B 149 0.105 11.571 0.018 1.00 14.14 C ATOM 497 CD2 TRP B 149 -0.341 12.691 -1.869 1.00 64.10 C ATOM 498 NE1 TRP B 149 1.301 11.915 -0.564 1.00 44.31 N ATOM 499 CE2 TRP B 149 1.053 12.598 -1.724 1.00 41.22 C ATOM 500 CE3 TRP B 149 -0.857 13.355 -2.985 1.00 50.34 C ATOM 501 CZ2 TRP B 149 1.934 13.147 -2.650 1.00 11.41 C ATOM 502 CZ3 TRP B 149 0.024 13.898 -3.897 1.00 0.00 C ATOM 503 CH2 TRP B 149 1.404 13.789 -3.726 1.00 21.30 C ATOM 0 H TRP B 149 -2.103 9.640 -1.415 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.210 10.546 1.183 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -2.928 11.877 -1.441 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -2.740 12.746 0.069 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -0.001 11.028 0.946 1.00 14.14 H new ATOM 0 HE1 TRP B 149 2.225 11.697 -0.192 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -1.924 13.441 -3.131 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 3.003 13.066 -2.519 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -0.363 14.418 -4.761 1.00 0.00 H new ATOM 0 HH2 TRP B 149 2.065 14.223 -4.462 1.00 21.30 H new ATOM 514 N ALA B 150 -5.130 10.406 -0.258 1.00 4.41 N ATOM 515 CA ALA B 150 -6.538 10.480 -0.004 1.00 55.10 C ATOM 516 C ALA B 150 -7.043 9.197 0.669 1.00 74.03 C ATOM 517 O ALA B 150 -7.851 9.230 1.591 1.00 33.30 O ATOM 518 CB ALA B 150 -7.301 10.755 -1.291 1.00 15.21 C ATOM 0 H ALA B 150 -4.881 10.065 -1.186 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.716 11.309 0.681 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.368 10.808 -1.077 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -6.969 11.702 -1.715 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.113 9.952 -2.004 1.00 15.21 H new ATOM 524 N LEU B 151 -6.536 8.078 0.203 1.00 70.43 N ATOM 525 CA LEU B 151 -6.973 6.750 0.652 1.00 60.43 C ATOM 526 C LEU B 151 -6.446 6.345 2.026 1.00 0.01 C ATOM 527 O LEU B 151 -7.010 5.481 2.673 1.00 1.42 O ATOM 528 CB LEU B 151 -6.563 5.706 -0.378 1.00 30.21 C ATOM 529 CG LEU B 151 -7.487 5.478 -1.588 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.826 4.891 -1.161 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.701 6.741 -2.408 1.00 54.11 C ATOM 0 H LEU B 151 -5.802 8.050 -0.505 1.00 70.43 H new ATOM 0 HA LEU B 151 -8.057 6.805 0.749 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -5.579 5.981 -0.757 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -6.451 4.753 0.140 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.977 4.758 -2.228 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -9.455 4.742 -2.039 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -8.662 3.934 -0.666 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -9.321 5.576 -0.472 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.360 6.522 -3.248 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -8.155 7.509 -1.782 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.742 7.098 -2.783 1.00 54.11 H new ATOM 543 N SER B 152 -5.398 6.979 2.461 1.00 60.31 N ATOM 544 CA SER B 152 -4.706 6.662 3.706 1.00 74.51 C ATOM 545 C SER B 152 -5.604 6.757 4.956 1.00 11.20 C ATOM 546 O SER B 152 -5.313 6.156 6.005 1.00 33.33 O ATOM 547 CB SER B 152 -3.494 7.543 3.800 1.00 21.44 C ATOM 548 OG SER B 152 -3.837 8.920 3.671 1.00 22.11 O ATOM 0 H SER B 152 -4.977 7.757 1.954 1.00 60.31 H new ATOM 0 HA SER B 152 -4.404 5.615 3.682 1.00 74.51 H new ATOM 0 HB2 SER B 152 -2.997 7.379 4.756 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.783 7.270 3.020 1.00 21.44 H new ATOM 0 HG SER B 152 -3.820 9.174 2.725 1.00 22.11 H new ATOM 554 N ASN B 153 -6.685 7.512 4.812 1.00 64.24 N ATOM 555 CA ASN B 153 -7.736 7.728 5.839 1.00 44.31 C ATOM 556 C ASN B 153 -8.182 6.412 6.466 1.00 64.55 C ATOM 557 O ASN B 153 -8.534 6.368 7.648 1.00 64.23 O ATOM 558 CB ASN B 153 -8.957 8.382 5.197 1.00 63.41 C ATOM 559 CG ASN B 153 -10.030 8.791 6.203 1.00 23.31 C ATOM 560 OD1 ASN B 153 -10.893 7.993 6.583 1.00 40.43 O ATOM 561 ND2 ASN B 153 -10.019 10.035 6.608 1.00 50.30 N ATOM 0 H ASN B 153 -6.876 8.018 3.947 1.00 64.24 H new ATOM 0 HA ASN B 153 -7.311 8.368 6.612 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -8.637 9.263 4.641 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -9.392 7.691 4.475 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -10.735 10.367 7.254 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -9.294 10.672 6.278 1.00 50.30 H new ATOM 568 N ILE B 154 -8.145 5.354 5.661 1.00 75.13 N ATOM 569 CA ILE B 154 -8.493 3.989 6.082 1.00 55.41 C ATOM 570 C ILE B 154 -7.754 3.613 7.366 1.00 43.23 C ATOM 571 O ILE B 154 -8.334 3.084 8.308 1.00 31.12 O ATOM 572 CB ILE B 154 -8.099 2.955 4.989 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.814 3.238 3.655 1.00 50.30 C ATOM 574 CG2 ILE B 154 -8.345 1.518 5.457 1.00 43.33 C ATOM 575 CD1 ILE B 154 -10.324 3.196 3.703 1.00 21.43 C ATOM 0 H ILE B 154 -7.869 5.416 4.681 1.00 75.13 H new ATOM 0 HA ILE B 154 -9.570 3.970 6.247 1.00 55.41 H new ATOM 0 HB ILE B 154 -7.028 3.065 4.816 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -8.507 4.222 3.300 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -8.471 2.512 2.918 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -8.058 0.824 4.667 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -7.750 1.319 6.349 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -9.402 1.387 5.689 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.726 3.409 2.712 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -10.650 2.206 4.022 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -10.686 3.943 4.410 1.00 21.43 H new ATOM 587 N ALA B 155 -6.480 3.921 7.398 1.00 10.31 N ATOM 588 CA ALA B 155 -5.655 3.590 8.523 1.00 14.12 C ATOM 589 C ALA B 155 -5.779 4.642 9.607 1.00 64.41 C ATOM 590 O ALA B 155 -5.668 4.335 10.796 1.00 71.04 O ATOM 591 CB ALA B 155 -4.221 3.436 8.088 1.00 41.11 C ATOM 0 H ALA B 155 -5.992 4.406 6.645 1.00 10.31 H new ATOM 0 HA ALA B 155 -5.995 2.641 8.936 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -3.604 3.185 8.951 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -4.149 2.640 7.346 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -3.871 4.371 7.652 1.00 41.11 H new ATOM 597 N SER B 156 -6.039 5.868 9.198 1.00 4.52 N ATOM 598 CA SER B 156 -6.190 6.981 10.117 1.00 54.22 C ATOM 599 C SER B 156 -7.385 6.758 11.055 1.00 33.11 C ATOM 600 O SER B 156 -7.353 7.141 12.229 1.00 31.14 O ATOM 601 CB SER B 156 -6.357 8.254 9.317 1.00 51.15 C ATOM 602 OG SER B 156 -5.306 8.366 8.363 1.00 71.21 O ATOM 0 H SER B 156 -6.152 6.122 8.217 1.00 4.52 H new ATOM 0 HA SER B 156 -5.300 7.061 10.742 1.00 54.22 H new ATOM 0 HB2 SER B 156 -7.322 8.252 8.810 1.00 51.15 H new ATOM 0 HB3 SER B 156 -6.349 9.117 9.983 1.00 51.15 H new ATOM 0 HG SER B 156 -5.420 9.191 7.846 1.00 71.21 H new ATOM 608 N GLY B 157 -8.419 6.143 10.532 1.00 64.35 N ATOM 609 CA GLY B 157 -9.553 5.777 11.333 1.00 65.32 C ATOM 610 C GLY B 157 -9.676 4.279 11.368 1.00 30.23 C ATOM 611 O GLY B 157 -10.770 3.729 11.387 1.00 41.22 O ATOM 0 H GLY B 157 -8.494 5.886 9.548 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -9.439 6.167 12.344 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -10.461 6.218 10.921 1.00 65.32 H new ATOM 615 N GLY B 158 -8.537 3.622 11.404 1.00 4.51 N ATOM 616 CA GLY B 158 -8.489 2.190 11.312 1.00 1.13 C ATOM 617 C GLY B 158 -8.507 1.482 12.640 1.00 32.24 C ATOM 618 O GLY B 158 -7.611 0.674 12.931 1.00 23.13 O ATOM 0 H GLY B 158 -7.625 4.069 11.498 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -9.337 1.847 10.719 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -7.586 1.903 10.773 1.00 1.13 H new ATOM 622 N ASN B 159 -9.520 1.753 13.440 1.00 23.14 N ATOM 623 CA ASN B 159 -9.682 1.060 14.719 1.00 4.32 C ATOM 624 C ASN B 159 -10.062 -0.371 14.445 1.00 43.12 C ATOM 625 O ASN B 159 -9.545 -1.298 15.059 1.00 73.44 O ATOM 626 CB ASN B 159 -10.737 1.725 15.620 1.00 41.53 C ATOM 627 CG ASN B 159 -10.316 3.082 16.153 1.00 73.54 C ATOM 628 OD1 ASN B 159 -9.135 3.351 16.362 1.00 53.51 O ATOM 629 ND2 ASN B 159 -11.267 3.935 16.408 1.00 13.35 N ATOM 0 H ASN B 159 -10.243 2.443 13.236 1.00 23.14 H new ATOM 0 HA ASN B 159 -8.735 1.111 15.257 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -11.664 1.837 15.057 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -10.952 1.065 16.460 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -11.040 4.853 16.791 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -12.239 3.685 16.225 1.00 13.35 H new ATOM 636 N GLU B 160 -10.940 -0.538 13.488 1.00 61.13 N ATOM 637 CA GLU B 160 -11.355 -1.835 13.030 1.00 44.33 C ATOM 638 C GLU B 160 -11.133 -1.928 11.529 1.00 21.45 C ATOM 639 O GLU B 160 -10.597 -2.905 11.047 1.00 55.12 O ATOM 640 CB GLU B 160 -12.829 -2.076 13.348 1.00 21.44 C ATOM 641 CG GLU B 160 -13.340 -3.445 12.929 1.00 75.15 C ATOM 642 CD GLU B 160 -14.813 -3.590 13.152 1.00 34.45 C ATOM 643 OE1 GLU B 160 -15.595 -3.155 12.282 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -15.224 -4.129 14.199 1.00 5.33 O ATOM 0 H GLU B 160 -11.391 0.236 13.000 1.00 61.13 H new ATOM 0 HA GLU B 160 -10.765 -2.595 13.542 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.982 -1.956 14.420 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -13.426 -1.310 12.853 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -13.116 -3.608 11.875 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -12.811 -4.216 13.490 1.00 75.15 H new ATOM 651 N GLN B 161 -11.503 -0.852 10.814 1.00 55.22 N ATOM 652 CA GLN B 161 -11.453 -0.764 9.334 1.00 4.24 C ATOM 653 C GLN B 161 -10.113 -1.210 8.727 1.00 2.21 C ATOM 654 O GLN B 161 -10.078 -1.779 7.638 1.00 4.14 O ATOM 655 CB GLN B 161 -11.804 0.658 8.880 1.00 73.31 C ATOM 656 CG GLN B 161 -11.759 0.867 7.376 1.00 74.15 C ATOM 657 CD GLN B 161 -12.164 2.259 6.968 1.00 63.34 C ATOM 658 OE1 GLN B 161 -11.342 3.159 6.885 1.00 30.32 O ATOM 659 NE2 GLN B 161 -13.420 2.446 6.700 1.00 71.32 N ATOM 0 H GLN B 161 -11.853 0.000 11.252 1.00 55.22 H new ATOM 0 HA GLN B 161 -12.196 -1.469 8.960 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -12.803 0.904 9.239 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -11.114 1.358 9.352 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.750 0.667 7.016 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -12.418 0.146 6.894 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -14.079 1.672 6.780 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -13.748 3.367 6.410 1.00 71.32 H new ATOM 668 N LYS B 162 -9.029 -1.011 9.462 1.00 0.01 N ATOM 669 CA LYS B 162 -7.693 -1.372 8.999 1.00 53.04 C ATOM 670 C LYS B 162 -7.575 -2.892 8.727 1.00 54.42 C ATOM 671 O LYS B 162 -6.686 -3.330 8.017 1.00 41.24 O ATOM 672 CB LYS B 162 -6.613 -0.874 9.966 1.00 52.24 C ATOM 673 CG LYS B 162 -5.194 -1.027 9.456 1.00 72.31 C ATOM 674 CD LYS B 162 -4.200 -0.594 10.502 1.00 53.42 C ATOM 675 CE LYS B 162 -4.126 -1.577 11.660 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.109 -1.185 12.652 1.00 22.01 N1+ ATOM 0 H LYS B 162 -9.048 -0.596 10.394 1.00 0.01 H new ATOM 0 HA LYS B 162 -7.527 -0.868 8.047 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -6.796 0.178 10.184 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.708 -1.416 10.907 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -5.011 -2.066 9.182 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -5.061 -0.431 8.553 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -3.215 -0.495 10.047 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -4.477 0.390 10.879 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -5.100 -1.640 12.145 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -3.895 -2.571 11.278 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -3.308 -1.656 13.558 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -2.167 -1.469 12.314 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -3.133 -0.154 12.785 1.00 22.01 H new ATOM 690 N GLN B 163 -8.489 -3.680 9.303 1.00 45.04 N ATOM 691 CA GLN B 163 -8.576 -5.150 9.103 1.00 54.43 C ATOM 692 C GLN B 163 -8.550 -5.515 7.605 1.00 43.34 C ATOM 693 O GLN B 163 -8.046 -6.582 7.210 1.00 51.54 O ATOM 694 CB GLN B 163 -9.885 -5.647 9.697 1.00 0.44 C ATOM 695 CG GLN B 163 -11.124 -5.133 8.955 1.00 12.45 C ATOM 696 CD GLN B 163 -12.430 -5.390 9.686 1.00 32.52 C ATOM 697 OE1 GLN B 163 -13.388 -4.617 9.558 1.00 71.21 O ATOM 698 NE2 GLN B 163 -12.498 -6.463 10.425 1.00 35.45 N ATOM 0 H GLN B 163 -9.205 -3.319 9.933 1.00 45.04 H new ATOM 0 HA GLN B 163 -7.719 -5.615 9.590 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -9.890 -6.737 9.686 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -9.942 -5.339 10.741 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -11.017 -4.061 8.789 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -11.169 -5.605 7.974 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -11.688 -7.078 10.507 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -13.361 -6.687 10.920 1.00 35.45 H new ATOM 707 N ALA B 164 -9.067 -4.586 6.808 1.00 52.32 N ATOM 708 CA ALA B 164 -9.198 -4.661 5.371 1.00 30.11 C ATOM 709 C ALA B 164 -7.937 -5.098 4.721 1.00 13.35 C ATOM 710 O ALA B 164 -7.910 -6.010 3.920 1.00 74.41 O ATOM 711 CB ALA B 164 -9.451 -3.275 4.883 1.00 12.31 C ATOM 0 H ALA B 164 -9.427 -3.707 7.180 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.992 -5.369 5.135 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.557 -3.285 3.798 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.367 -2.892 5.333 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.615 -2.633 5.160 1.00 12.31 H new ATOM 717 N VAL B 165 -6.891 -4.467 5.132 1.00 3.02 N ATOM 718 CA VAL B 165 -5.618 -4.557 4.493 1.00 13.21 C ATOM 719 C VAL B 165 -5.004 -5.949 4.681 1.00 2.43 C ATOM 720 O VAL B 165 -4.272 -6.437 3.826 1.00 61.00 O ATOM 721 CB VAL B 165 -4.686 -3.432 5.030 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.475 -2.157 5.142 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.186 -3.736 6.379 1.00 41.10 C ATOM 0 H VAL B 165 -6.896 -3.854 5.947 1.00 3.02 H new ATOM 0 HA VAL B 165 -5.744 -4.414 3.420 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.848 -3.345 4.338 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.831 -1.362 5.518 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.859 -1.879 4.160 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.308 -2.304 5.829 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.539 -2.927 6.718 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -5.027 -3.840 7.064 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.620 -4.667 6.356 1.00 41.10 H new ATOM 733 N LYS B 166 -5.368 -6.606 5.763 1.00 72.33 N ATOM 734 CA LYS B 166 -4.835 -7.917 6.048 1.00 62.53 C ATOM 735 C LYS B 166 -5.610 -8.956 5.254 1.00 61.12 C ATOM 736 O LYS B 166 -5.033 -9.892 4.714 1.00 13.14 O ATOM 737 CB LYS B 166 -4.906 -8.291 7.549 1.00 64.02 C ATOM 738 CG LYS B 166 -4.229 -7.346 8.558 1.00 21.20 C ATOM 739 CD LYS B 166 -5.009 -6.058 8.803 1.00 51.32 C ATOM 740 CE LYS B 166 -4.524 -5.343 10.060 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.718 -6.163 11.280 1.00 65.44 N1+ ATOM 0 H LYS B 166 -6.028 -6.253 6.456 1.00 72.33 H new ATOM 0 HA LYS B 166 -3.783 -7.898 5.764 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.957 -8.376 7.823 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.464 -9.280 7.669 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -4.101 -7.870 9.505 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.232 -7.094 8.196 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.902 -5.397 7.943 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -6.070 -6.287 8.899 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.467 -5.099 9.952 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -5.059 -4.400 10.169 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.771 -5.541 12.112 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.601 -6.705 11.197 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.918 -6.819 11.388 1.00 65.44 H new ATOM 755 N GLU B 167 -6.915 -8.752 5.162 1.00 75.44 N ATOM 756 CA GLU B 167 -7.797 -9.642 4.545 1.00 33.13 C ATOM 757 C GLU B 167 -7.717 -9.532 3.015 1.00 4.33 C ATOM 758 O GLU B 167 -7.595 -10.549 2.317 1.00 61.22 O ATOM 759 CB GLU B 167 -9.173 -9.315 5.068 1.00 35.41 C ATOM 760 CG GLU B 167 -10.218 -10.119 4.456 1.00 14.32 C ATOM 761 CD GLU B 167 -11.579 -9.790 4.977 1.00 71.10 C ATOM 762 OE1 GLU B 167 -11.985 -10.331 6.025 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -12.271 -8.977 4.359 1.00 34.35 O ATOM 0 H GLU B 167 -7.374 -7.922 5.539 1.00 75.44 H new ATOM 0 HA GLU B 167 -7.541 -10.676 4.777 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.191 -9.466 6.147 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.382 -8.260 4.890 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.201 -9.969 3.377 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -10.010 -11.174 4.635 1.00 14.32 H new ATOM 770 N ALA B 168 -7.761 -8.302 2.505 1.00 51.34 N ATOM 771 CA ALA B 168 -7.658 -8.053 1.071 1.00 12.43 C ATOM 772 C ALA B 168 -6.301 -8.505 0.575 1.00 34.44 C ATOM 773 O ALA B 168 -6.160 -8.982 -0.544 1.00 25.22 O ATOM 774 CB ALA B 168 -7.873 -6.579 0.761 1.00 40.11 C ATOM 0 H ALA B 168 -7.868 -7.459 3.069 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.435 -8.620 0.559 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.792 -6.418 -0.314 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.864 -6.277 1.099 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -7.117 -5.985 1.275 1.00 40.11 H new ATOM 780 N GLY B 169 -5.309 -8.353 1.421 1.00 34.33 N ATOM 781 CA GLY B 169 -4.018 -8.851 1.105 1.00 34.02 C ATOM 782 C GLY B 169 -3.067 -7.789 0.666 1.00 4.54 C ATOM 783 O GLY B 169 -2.592 -7.812 -0.452 1.00 31.44 O ATOM 0 H GLY B 169 -5.384 -7.889 2.326 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -3.608 -9.358 1.979 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -4.107 -9.598 0.316 1.00 34.02 H new ATOM 787 N ALA B 170 -2.773 -6.858 1.559 1.00 35.41 N ATOM 788 CA ALA B 170 -1.798 -5.799 1.303 1.00 34.41 C ATOM 789 C ALA B 170 -0.415 -6.385 1.109 1.00 73.04 C ATOM 790 O ALA B 170 0.429 -5.790 0.466 1.00 1.24 O ATOM 791 CB ALA B 170 -1.811 -4.790 2.430 1.00 13.24 C ATOM 0 H ALA B 170 -3.201 -6.811 2.484 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.074 -5.283 0.383 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.080 -4.007 2.226 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -2.804 -4.347 2.511 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -1.558 -5.287 3.366 1.00 13.24 H new ATOM 797 N LEU B 171 -0.224 -7.586 1.641 1.00 61.22 N ATOM 798 CA LEU B 171 1.027 -8.312 1.557 1.00 71.22 C ATOM 799 C LEU B 171 1.410 -8.581 0.095 1.00 54.15 C ATOM 800 O LEU B 171 2.529 -8.285 -0.322 1.00 23.24 O ATOM 801 CB LEU B 171 0.894 -9.629 2.304 1.00 35.44 C ATOM 802 CG LEU B 171 0.430 -9.532 3.756 1.00 71.12 C ATOM 803 CD1 LEU B 171 0.244 -10.908 4.327 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.418 -8.743 4.598 1.00 11.20 C ATOM 0 H LEU B 171 -0.951 -8.088 2.151 1.00 61.22 H new ATOM 0 HA LEU B 171 1.813 -7.706 2.008 1.00 71.22 H new ATOM 0 HB2 LEU B 171 0.193 -10.263 1.761 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.860 -10.134 2.285 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.523 -9.003 3.774 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.087 -10.830 5.363 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -0.506 -11.445 3.746 1.00 70.51 H new ATOM 0 HD13 LEU B 171 1.189 -11.449 4.288 1.00 70.51 H new ATOM 0 HD21 LEU B 171 1.060 -8.691 5.626 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.390 -9.236 4.576 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.514 -7.734 4.196 1.00 11.20 H new ATOM 816 N GLU B 172 0.468 -9.111 -0.695 1.00 61.41 N ATOM 817 CA GLU B 172 0.754 -9.404 -2.100 1.00 12.34 C ATOM 818 C GLU B 172 0.914 -8.118 -2.902 1.00 12.03 C ATOM 819 O GLU B 172 1.702 -8.060 -3.841 1.00 11.21 O ATOM 820 CB GLU B 172 -0.316 -10.307 -2.747 1.00 22.42 C ATOM 821 CG GLU B 172 -1.689 -9.678 -2.885 1.00 4.33 C ATOM 822 CD GLU B 172 -2.655 -10.550 -3.629 1.00 14.33 C ATOM 823 OE1 GLU B 172 -3.318 -11.392 -2.993 1.00 71.05 O1- ATOM 824 OE2 GLU B 172 -2.791 -10.400 -4.871 1.00 61.51 O ATOM 0 H GLU B 172 -0.478 -9.341 -0.392 1.00 61.41 H new ATOM 0 HA GLU B 172 1.695 -9.954 -2.117 1.00 12.34 H new ATOM 0 HB2 GLU B 172 0.032 -10.605 -3.736 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -0.408 -11.217 -2.154 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -2.088 -9.466 -1.893 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -1.596 -8.723 -3.402 1.00 4.33 H new ATOM 831 N LYS B 173 0.180 -7.080 -2.496 1.00 75.52 N ATOM 832 CA LYS B 173 0.202 -5.792 -3.152 1.00 52.14 C ATOM 833 C LYS B 173 1.584 -5.201 -2.978 1.00 13.42 C ATOM 834 O LYS B 173 2.196 -4.696 -3.923 1.00 22.05 O ATOM 835 CB LYS B 173 -0.837 -4.878 -2.491 1.00 52.11 C ATOM 836 CG LYS B 173 -2.209 -5.517 -2.316 1.00 23.24 C ATOM 837 CD LYS B 173 -2.850 -5.913 -3.626 1.00 32.34 C ATOM 838 CE LYS B 173 -3.964 -6.918 -3.424 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.398 -7.546 -4.686 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.449 -7.121 -1.694 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.032 -5.893 -4.212 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -0.465 -4.570 -1.514 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.943 -3.974 -3.091 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.114 -6.400 -1.683 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -2.864 -4.820 -1.794 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.246 -5.026 -4.120 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -2.094 -6.336 -4.288 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -3.629 -7.692 -2.734 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -4.815 -6.422 -2.958 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -5.428 -7.690 -4.666 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.151 -6.927 -5.485 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -3.922 -8.464 -4.799 1.00 43.00 H new ATOM 853 N LEU B 174 2.076 -5.345 -1.767 1.00 32.33 N ATOM 854 CA LEU B 174 3.375 -4.895 -1.360 1.00 44.15 C ATOM 855 C LEU B 174 4.437 -5.573 -2.221 1.00 4.04 C ATOM 856 O LEU B 174 5.312 -4.912 -2.750 1.00 43.44 O ATOM 857 CB LEU B 174 3.541 -5.231 0.137 1.00 22.15 C ATOM 858 CG LEU B 174 4.726 -4.651 0.916 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.490 -4.872 2.377 1.00 13.11 C ATOM 860 CD2 LEU B 174 6.044 -5.298 0.539 1.00 43.15 C ATOM 0 H LEU B 174 1.556 -5.797 -1.015 1.00 32.33 H new ATOM 0 HA LEU B 174 3.488 -3.819 -1.494 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.630 -4.914 0.645 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.593 -6.316 0.224 1.00 22.15 H new ATOM 0 HG LEU B 174 4.795 -3.591 0.672 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.325 -4.464 2.946 1.00 13.11 H new ATOM 0 HD12 LEU B 174 3.569 -4.372 2.676 1.00 13.11 H new ATOM 0 HD13 LEU B 174 4.404 -5.941 2.574 1.00 13.11 H new ATOM 0 HD21 LEU B 174 6.849 -4.849 1.121 1.00 43.15 H new ATOM 0 HD22 LEU B 174 5.998 -6.367 0.748 1.00 43.15 H new ATOM 0 HD23 LEU B 174 6.234 -5.144 -0.523 1.00 43.15 H new ATOM 872 N GLU B 175 4.324 -6.890 -2.398 1.00 64.22 N ATOM 873 CA GLU B 175 5.238 -7.641 -3.168 1.00 34.22 C ATOM 874 C GLU B 175 5.226 -7.247 -4.648 1.00 30.54 C ATOM 875 O GLU B 175 6.253 -7.335 -5.325 1.00 40.22 O ATOM 876 CB GLU B 175 4.962 -9.096 -2.981 1.00 31.20 C ATOM 877 CG GLU B 175 5.274 -9.611 -1.589 1.00 63.55 C ATOM 878 CD GLU B 175 5.281 -11.111 -1.529 1.00 72.13 C ATOM 879 OE1 GLU B 175 4.212 -11.726 -1.397 1.00 12.05 O1- ATOM 880 OE2 GLU B 175 6.369 -11.706 -1.641 1.00 5.21 O ATOM 0 H GLU B 175 3.572 -7.447 -1.992 1.00 64.22 H new ATOM 0 HA GLU B 175 6.245 -7.419 -2.814 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.912 -9.287 -3.200 1.00 31.20 H new ATOM 0 HB3 GLU B 175 5.547 -9.662 -3.706 1.00 31.20 H new ATOM 0 HG2 GLU B 175 6.245 -9.232 -1.272 1.00 63.55 H new ATOM 0 HG3 GLU B 175 4.536 -9.224 -0.886 1.00 63.55 H new ATOM 887 N GLN B 176 4.079 -6.808 -5.146 1.00 53.05 N ATOM 888 CA GLN B 176 3.984 -6.298 -6.500 1.00 51.12 C ATOM 889 C GLN B 176 4.801 -5.027 -6.587 1.00 15.23 C ATOM 890 O GLN B 176 5.674 -4.859 -7.441 1.00 25.45 O ATOM 891 CB GLN B 176 2.544 -5.954 -6.832 1.00 22.05 C ATOM 892 CG GLN B 176 1.580 -7.106 -6.778 1.00 3.54 C ATOM 893 CD GLN B 176 1.938 -8.210 -7.730 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.669 -9.135 -7.378 1.00 25.33 O ATOM 895 NE2 GLN B 176 1.447 -8.126 -8.932 1.00 12.14 N ATOM 0 H GLN B 176 3.200 -6.796 -4.628 1.00 53.05 H new ATOM 0 HA GLN B 176 4.348 -7.054 -7.196 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.203 -5.184 -6.141 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.512 -5.522 -7.832 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.552 -7.503 -5.763 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.577 -6.746 -7.007 1.00 3.54 H new ATOM 0 HE21 GLN B 176 0.845 -7.342 -9.183 1.00 12.14 H new ATOM 0 HE22 GLN B 176 1.664 -8.844 -9.623 1.00 12.14 H new ATOM 904 N LEU B 177 4.533 -4.169 -5.645 1.00 55.23 N ATOM 905 CA LEU B 177 5.148 -2.870 -5.518 1.00 50.03 C ATOM 906 C LEU B 177 6.643 -2.962 -5.180 1.00 2.24 C ATOM 907 O LEU B 177 7.381 -2.000 -5.295 1.00 11.31 O ATOM 908 CB LEU B 177 4.393 -2.106 -4.471 1.00 4.33 C ATOM 909 CG LEU B 177 4.778 -0.669 -4.286 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.421 0.128 -5.538 1.00 11.02 C ATOM 911 CD2 LEU B 177 4.127 -0.106 -3.035 1.00 54.44 C ATOM 0 H LEU B 177 3.851 -4.360 -4.911 1.00 55.23 H new ATOM 0 HA LEU B 177 5.097 -2.350 -6.475 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.332 -2.146 -4.717 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.518 -2.619 -3.517 1.00 4.33 H new ATOM 0 HG LEU B 177 5.856 -0.592 -4.146 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.703 1.171 -5.398 1.00 11.02 H new ATOM 0 HD12 LEU B 177 4.957 -0.281 -6.395 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.348 0.063 -5.717 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.415 0.938 -2.913 1.00 54.44 H new ATOM 0 HD22 LEU B 177 3.043 -0.175 -3.126 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.455 -0.677 -2.166 1.00 54.44 H new ATOM 923 N GLN B 178 7.061 -4.098 -4.725 1.00 31.43 N ATOM 924 CA GLN B 178 8.486 -4.366 -4.467 1.00 34.22 C ATOM 925 C GLN B 178 9.373 -4.179 -5.707 1.00 43.53 C ATOM 926 O GLN B 178 10.536 -3.840 -5.585 1.00 33.40 O ATOM 927 CB GLN B 178 8.720 -5.732 -3.818 1.00 22.20 C ATOM 928 CG GLN B 178 8.350 -5.790 -2.340 1.00 63.12 C ATOM 929 CD GLN B 178 9.247 -4.918 -1.454 1.00 52.34 C ATOM 930 OE1 GLN B 178 9.768 -3.878 -1.882 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.439 -5.326 -0.231 1.00 12.22 N ATOM 0 H GLN B 178 6.445 -4.883 -4.513 1.00 31.43 H new ATOM 0 HA GLN B 178 8.792 -3.607 -3.747 1.00 34.22 H new ATOM 0 HB2 GLN B 178 8.141 -6.482 -4.356 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.771 -6.000 -3.929 1.00 22.20 H new ATOM 0 HG2 GLN B 178 7.314 -5.473 -2.220 1.00 63.12 H new ATOM 0 HG3 GLN B 178 8.409 -6.823 -1.998 1.00 63.12 H new ATOM 0 HE21 GLN B 178 8.998 -6.186 0.095 1.00 12.22 H new ATOM 0 HE22 GLN B 178 10.030 -4.785 0.400 1.00 12.22 H new ATOM 940 N SER B 179 8.795 -4.317 -6.886 1.00 11.02 N ATOM 941 CA SER B 179 9.529 -4.133 -8.139 1.00 25.41 C ATOM 942 C SER B 179 9.562 -2.647 -8.562 1.00 10.24 C ATOM 943 O SER B 179 9.789 -2.308 -9.724 1.00 40.01 O ATOM 944 CB SER B 179 8.922 -5.029 -9.202 1.00 32.12 C ATOM 945 OG SER B 179 8.955 -6.381 -8.739 1.00 64.32 O ATOM 0 H SER B 179 7.812 -4.558 -7.009 1.00 11.02 H new ATOM 0 HA SER B 179 10.570 -4.423 -7.999 1.00 25.41 H new ATOM 0 HB2 SER B 179 7.896 -4.726 -9.410 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.477 -4.936 -10.136 1.00 32.12 H new ATOM 0 HG SER B 179 8.563 -6.969 -9.418 1.00 64.32 H new ATOM 951 N HIS B 180 9.361 -1.798 -7.577 1.00 24.01 N ATOM 952 CA HIS B 180 9.398 -0.347 -7.699 1.00 14.12 C ATOM 953 C HIS B 180 10.761 0.164 -8.170 1.00 13.51 C ATOM 954 O HIS B 180 11.787 -0.499 -7.984 1.00 60.24 O ATOM 955 CB HIS B 180 9.071 0.294 -6.333 1.00 1.42 C ATOM 956 CG HIS B 180 10.032 -0.046 -5.208 1.00 74.51 C ATOM 957 ND1 HIS B 180 9.763 -0.996 -4.258 1.00 63.40 N ATOM 958 CD2 HIS B 180 11.255 0.441 -4.904 1.00 44.44 C ATOM 959 CE1 HIS B 180 10.774 -1.084 -3.426 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.694 -0.221 -3.797 1.00 34.33 N ATOM 0 H HIS B 180 9.158 -2.108 -6.627 1.00 24.01 H new ATOM 0 HA HIS B 180 8.657 -0.067 -8.448 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.049 1.377 -6.455 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.068 -0.014 -6.037 1.00 1.42 H new ATOM 0 HD1 HIS B 180 8.908 -1.550 -4.206 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.787 1.213 -5.440 1.00 44.44 H new ATOM 0 HE1 HIS B 180 10.839 -1.752 -2.580 1.00 71.54 H new ATOM 969 N GLU B 181 10.762 1.344 -8.716 1.00 2.23 N ATOM 970 CA GLU B 181 11.968 2.005 -9.160 1.00 3.54 C ATOM 971 C GLU B 181 12.206 3.249 -8.303 1.00 21.45 C ATOM 972 O GLU B 181 13.326 3.780 -8.231 1.00 41.00 O ATOM 973 CB GLU B 181 11.838 2.411 -10.624 1.00 22.41 C ATOM 974 CG GLU B 181 11.569 1.258 -11.571 1.00 21.45 C ATOM 975 CD GLU B 181 11.436 1.717 -12.993 1.00 4.11 C ATOM 976 OE1 GLU B 181 10.317 2.076 -13.416 1.00 21.44 O ATOM 977 OE2 GLU B 181 12.448 1.741 -13.720 1.00 34.25 O1- ATOM 0 H GLU B 181 9.914 1.889 -8.871 1.00 2.23 H new ATOM 0 HA GLU B 181 12.809 1.320 -9.058 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.031 3.138 -10.717 1.00 22.41 H new ATOM 0 HB3 GLU B 181 12.755 2.912 -10.932 1.00 22.41 H new ATOM 0 HG2 GLU B 181 12.380 0.533 -11.499 1.00 21.45 H new ATOM 0 HG3 GLU B 181 10.655 0.746 -11.268 1.00 21.45 H new ATOM 984 N ASN B 182 11.158 3.708 -7.651 1.00 1.10 N ATOM 985 CA ASN B 182 11.215 4.896 -6.812 1.00 51.53 C ATOM 986 C ASN B 182 11.624 4.536 -5.431 1.00 31.02 C ATOM 987 O ASN B 182 11.228 3.508 -4.867 1.00 72.11 O ATOM 988 CB ASN B 182 9.884 5.616 -6.809 1.00 70.24 C ATOM 989 CG ASN B 182 9.950 6.993 -6.196 1.00 71.13 C ATOM 990 OD1 ASN B 182 9.823 7.159 -4.989 1.00 53.24 O ATOM 991 ND2 ASN B 182 10.133 7.981 -7.011 1.00 41.44 N ATOM 0 H ASN B 182 10.238 3.269 -7.685 1.00 1.10 H new ATOM 0 HA ASN B 182 11.962 5.573 -7.225 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.522 5.699 -7.834 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.156 5.017 -6.262 1.00 70.24 H new ATOM 0 HD21 ASN B 182 10.175 8.936 -6.654 1.00 41.44 H new ATOM 0 HD22 ASN B 182 10.235 7.805 -8.011 1.00 41.44 H new ATOM 998 N GLU B 183 12.374 5.418 -4.889 1.00 21.41 N ATOM 999 CA GLU B 183 13.040 5.239 -3.675 1.00 75.53 C ATOM 1000 C GLU B 183 12.108 5.439 -2.472 1.00 53.13 C ATOM 1001 O GLU B 183 12.346 4.888 -1.412 1.00 62.23 O ATOM 1002 CB GLU B 183 14.167 6.227 -3.675 1.00 4.41 C ATOM 1003 CG GLU B 183 13.782 7.634 -3.236 1.00 71.12 C ATOM 1004 CD GLU B 183 14.888 8.626 -3.430 1.00 70.35 C ATOM 1005 OE1 GLU B 183 15.413 8.724 -4.558 1.00 74.32 O ATOM 1006 OE2 GLU B 183 15.227 9.352 -2.474 1.00 10.34 O1- ATOM 0 H GLU B 183 12.543 6.331 -5.310 1.00 21.41 H new ATOM 0 HA GLU B 183 13.410 4.218 -3.580 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.954 5.859 -3.017 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.588 6.277 -4.679 1.00 4.41 H new ATOM 0 HG2 GLU B 183 12.906 7.958 -3.798 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.497 7.616 -2.184 1.00 71.12 H new ATOM 1013 N LYS B 184 11.047 6.210 -2.650 1.00 31.52 N ATOM 1014 CA LYS B 184 10.124 6.475 -1.563 1.00 55.01 C ATOM 1015 C LYS B 184 9.203 5.319 -1.384 1.00 72.22 C ATOM 1016 O LYS B 184 8.873 4.930 -0.276 1.00 13.24 O ATOM 1017 CB LYS B 184 9.266 7.674 -1.857 1.00 13.15 C ATOM 1018 CG LYS B 184 9.952 9.004 -1.843 1.00 23.11 C ATOM 1019 CD LYS B 184 8.998 10.137 -2.257 1.00 51.20 C ATOM 1020 CE LYS B 184 7.732 10.265 -1.375 1.00 41.21 C ATOM 1021 NZ LYS B 184 6.688 9.211 -1.625 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.806 6.660 -3.533 1.00 31.52 H new ATOM 0 HA LYS B 184 10.723 6.650 -0.669 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.810 7.535 -2.837 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.455 7.700 -1.129 1.00 13.15 H new ATOM 0 HG2 LYS B 184 10.342 9.202 -0.845 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.806 8.981 -2.520 1.00 23.11 H new ATOM 0 HD2 LYS B 184 9.542 11.081 -2.229 1.00 51.20 H new ATOM 0 HD3 LYS B 184 8.691 9.977 -3.290 1.00 51.20 H new ATOM 0 HE2 LYS B 184 8.029 10.223 -0.327 1.00 41.21 H new ATOM 0 HE3 LYS B 184 7.287 11.246 -1.541 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 5.741 9.626 -1.509 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 6.789 8.845 -2.593 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 6.811 8.433 -0.946 1.00 13.42 H new ATOM 1035 N ILE B 185 8.838 4.756 -2.504 1.00 60.21 N ATOM 1036 CA ILE B 185 7.865 3.693 -2.627 1.00 75.21 C ATOM 1037 C ILE B 185 8.146 2.491 -1.699 1.00 0.43 C ATOM 1038 O ILE B 185 7.229 1.799 -1.257 1.00 60.43 O ATOM 1039 CB ILE B 185 7.828 3.251 -4.093 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.327 4.398 -4.949 1.00 53.13 C ATOM 1041 CG2 ILE B 185 6.978 2.026 -4.289 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.903 4.808 -4.689 1.00 52.31 C ATOM 0 H ILE B 185 9.228 5.037 -3.403 1.00 60.21 H new ATOM 0 HA ILE B 185 6.896 4.080 -2.311 1.00 75.21 H new ATOM 0 HB ILE B 185 8.840 2.983 -4.398 1.00 72.20 H new ATOM 0 HG12 ILE B 185 7.973 5.261 -4.789 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.423 4.118 -5.998 1.00 53.13 H new ATOM 0 HG21 ILE B 185 6.979 1.747 -5.343 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.381 1.205 -3.696 1.00 64.03 H new ATOM 0 HG23 ILE B 185 5.957 2.237 -3.971 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.636 5.634 -5.348 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.241 3.963 -4.879 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.799 5.124 -3.651 1.00 52.31 H new ATOM 1054 N GLN B 186 9.397 2.270 -1.387 1.00 51.04 N ATOM 1055 CA GLN B 186 9.775 1.177 -0.517 1.00 13.34 C ATOM 1056 C GLN B 186 9.283 1.417 0.895 1.00 43.21 C ATOM 1057 O GLN B 186 8.863 0.496 1.586 1.00 14.42 O ATOM 1058 CB GLN B 186 11.263 0.986 -0.544 1.00 3.31 C ATOM 1059 CG GLN B 186 12.088 2.158 -0.068 1.00 30.13 C ATOM 1060 CD GLN B 186 13.553 1.937 -0.304 1.00 33.34 C ATOM 1061 OE1 GLN B 186 14.031 0.805 -0.292 1.00 41.14 O ATOM 1062 NE2 GLN B 186 14.268 2.987 -0.533 1.00 12.44 N ATOM 0 H GLN B 186 10.178 2.834 -1.723 1.00 51.04 H new ATOM 0 HA GLN B 186 9.304 0.264 -0.881 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.510 0.120 0.070 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.561 0.748 -1.565 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.768 3.062 -0.586 1.00 30.13 H new ATOM 0 HG3 GLN B 186 11.911 2.320 0.995 1.00 30.13 H new ATOM 0 HE21 GLN B 186 13.833 3.910 -0.534 1.00 12.44 H new ATOM 0 HE22 GLN B 186 15.268 2.894 -0.713 1.00 12.44 H new ATOM 1071 N LYS B 187 9.326 2.660 1.289 1.00 22.52 N ATOM 1072 CA LYS B 187 8.821 3.091 2.583 1.00 74.33 C ATOM 1073 C LYS B 187 7.323 2.862 2.567 1.00 72.42 C ATOM 1074 O LYS B 187 6.795 2.270 3.471 1.00 44.24 O ATOM 1075 CB LYS B 187 9.126 4.591 2.833 1.00 51.52 C ATOM 1076 CG LYS B 187 9.114 5.075 4.316 1.00 61.53 C ATOM 1077 CD LYS B 187 7.795 4.852 5.074 1.00 22.21 C ATOM 1078 CE LYS B 187 6.609 5.615 4.478 1.00 31.44 C ATOM 1079 NZ LYS B 187 6.789 7.083 4.500 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.714 3.415 0.724 1.00 22.52 H new ATOM 0 HA LYS B 187 9.302 2.528 3.383 1.00 74.33 H new ATOM 0 HB2 LYS B 187 10.106 4.813 2.411 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.399 5.183 2.277 1.00 51.52 H new ATOM 0 HG2 LYS B 187 9.913 4.564 4.853 1.00 61.53 H new ATOM 0 HG3 LYS B 187 9.348 6.139 4.335 1.00 61.53 H new ATOM 0 HD2 LYS B 187 7.565 3.787 5.080 1.00 22.21 H new ATOM 0 HD3 LYS B 187 7.927 5.156 6.113 1.00 22.21 H new ATOM 0 HE2 LYS B 187 6.456 5.290 3.449 1.00 31.44 H new ATOM 0 HE3 LYS B 187 5.705 5.358 5.031 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 5.926 7.544 4.146 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 6.974 7.396 5.475 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 7.594 7.343 3.894 1.00 31.33 H new ATOM 1093 N GLU B 188 6.655 3.338 1.509 1.00 1.40 N ATOM 1094 CA GLU B 188 5.219 3.144 1.323 1.00 41.11 C ATOM 1095 C GLU B 188 4.826 1.651 1.430 1.00 55.30 C ATOM 1096 O GLU B 188 3.811 1.306 2.045 1.00 1.32 O ATOM 1097 CB GLU B 188 4.765 3.742 -0.021 1.00 0.21 C ATOM 1098 CG GLU B 188 4.595 5.279 -0.063 1.00 71.14 C ATOM 1099 CD GLU B 188 5.824 6.116 0.265 1.00 11.41 C ATOM 1100 OE1 GLU B 188 6.182 6.228 1.452 1.00 31.44 O ATOM 1101 OE2 GLU B 188 6.393 6.746 -0.646 1.00 62.41 O1- ATOM 0 H GLU B 188 7.099 3.868 0.759 1.00 1.40 H new ATOM 0 HA GLU B 188 4.704 3.671 2.126 1.00 41.11 H new ATOM 0 HB2 GLU B 188 5.488 3.457 -0.785 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.814 3.285 -0.296 1.00 0.21 H new ATOM 0 HG2 GLU B 188 4.252 5.556 -1.060 1.00 71.14 H new ATOM 0 HG3 GLU B 188 3.802 5.552 0.634 1.00 71.14 H new ATOM 1108 N ALA B 189 5.651 0.787 0.856 1.00 22.15 N ATOM 1109 CA ALA B 189 5.464 -0.659 0.943 1.00 34.34 C ATOM 1110 C ALA B 189 5.604 -1.126 2.398 1.00 10.01 C ATOM 1111 O ALA B 189 4.686 -1.733 2.963 1.00 70.11 O ATOM 1112 CB ALA B 189 6.480 -1.368 0.049 1.00 52.44 C ATOM 0 H ALA B 189 6.470 1.066 0.316 1.00 22.15 H new ATOM 0 HA ALA B 189 4.461 -0.910 0.599 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.336 -2.446 0.118 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.341 -1.049 -0.984 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.489 -1.116 0.374 1.00 52.44 H new ATOM 1118 N GLN B 190 6.734 -0.784 3.018 1.00 64.45 N ATOM 1119 CA GLN B 190 7.012 -1.155 4.414 1.00 73.23 C ATOM 1120 C GLN B 190 5.989 -0.553 5.371 1.00 61.30 C ATOM 1121 O GLN B 190 5.715 -1.112 6.414 1.00 21.21 O ATOM 1122 CB GLN B 190 8.427 -0.738 4.827 1.00 2.33 C ATOM 1123 CG GLN B 190 9.544 -1.486 4.115 1.00 20.12 C ATOM 1124 CD GLN B 190 9.571 -2.966 4.434 1.00 2.31 C ATOM 1125 OE1 GLN B 190 8.950 -3.777 3.749 1.00 32.22 O ATOM 1126 NE2 GLN B 190 10.286 -3.331 5.462 1.00 62.14 N ATOM 0 H GLN B 190 7.479 -0.247 2.575 1.00 64.45 H new ATOM 0 HA GLN B 190 6.937 -2.241 4.475 1.00 73.23 H new ATOM 0 HB2 GLN B 190 8.546 0.329 4.639 1.00 2.33 H new ATOM 0 HB3 GLN B 190 8.536 -0.887 5.901 1.00 2.33 H new ATOM 0 HG2 GLN B 190 9.431 -1.355 3.039 1.00 20.12 H new ATOM 0 HG3 GLN B 190 10.501 -1.044 4.391 1.00 20.12 H new ATOM 0 HE21 GLN B 190 10.788 -2.631 6.008 1.00 62.14 H new ATOM 0 HE22 GLN B 190 10.343 -4.316 5.720 1.00 62.14 H new ATOM 1135 N GLU B 191 5.430 0.575 4.987 1.00 20.43 N ATOM 1136 CA GLU B 191 4.413 1.266 5.750 1.00 21.04 C ATOM 1137 C GLU B 191 3.212 0.357 5.943 1.00 11.53 C ATOM 1138 O GLU B 191 2.821 0.094 7.065 1.00 43.14 O ATOM 1139 CB GLU B 191 4.011 2.569 5.031 1.00 13.23 C ATOM 1140 CG GLU B 191 2.953 3.411 5.738 1.00 73.14 C ATOM 1141 CD GLU B 191 3.379 3.858 7.109 1.00 25.30 C ATOM 1142 OE1 GLU B 191 4.145 4.841 7.226 1.00 63.00 O ATOM 1143 OE2 GLU B 191 2.939 3.252 8.100 1.00 14.54 O1- ATOM 0 H GLU B 191 5.676 1.047 4.117 1.00 20.43 H new ATOM 0 HA GLU B 191 4.808 1.528 6.732 1.00 21.04 H new ATOM 0 HB2 GLU B 191 4.904 3.179 4.895 1.00 13.23 H new ATOM 0 HB3 GLU B 191 3.644 2.316 4.036 1.00 13.23 H new ATOM 0 HG2 GLU B 191 2.727 4.287 5.130 1.00 73.14 H new ATOM 0 HG3 GLU B 191 2.032 2.834 5.820 1.00 73.14 H new ATOM 1150 N ALA B 192 2.678 -0.172 4.839 1.00 12.05 N ATOM 1151 CA ALA B 192 1.514 -1.058 4.896 1.00 52.44 C ATOM 1152 C ALA B 192 1.845 -2.327 5.660 1.00 63.31 C ATOM 1153 O ALA B 192 1.045 -2.777 6.487 1.00 62.12 O ATOM 1154 CB ALA B 192 1.000 -1.393 3.502 1.00 12.11 C ATOM 0 H ALA B 192 3.032 -0.002 3.898 1.00 12.05 H new ATOM 0 HA ALA B 192 0.721 -0.529 5.425 1.00 52.44 H new ATOM 0 HB1 ALA B 192 0.136 -2.052 3.582 1.00 12.11 H new ATOM 0 HB2 ALA B 192 0.710 -0.475 2.991 1.00 12.11 H new ATOM 0 HB3 ALA B 192 1.786 -1.892 2.935 1.00 12.11 H new ATOM 1160 N LEU B 193 3.048 -2.854 5.401 1.00 21.32 N ATOM 1161 CA LEU B 193 3.578 -4.062 6.035 1.00 65.15 C ATOM 1162 C LEU B 193 3.430 -3.991 7.527 1.00 0.51 C ATOM 1163 O LEU B 193 2.684 -4.747 8.154 1.00 31.01 O ATOM 1164 CB LEU B 193 5.059 -4.080 5.793 1.00 24.10 C ATOM 1165 CG LEU B 193 5.798 -5.280 6.307 1.00 35.55 C ATOM 1166 CD1 LEU B 193 5.682 -6.479 5.380 1.00 41.22 C ATOM 1167 CD2 LEU B 193 7.197 -4.886 6.575 1.00 3.03 C ATOM 0 H LEU B 193 3.693 -2.440 4.728 1.00 21.32 H new ATOM 0 HA LEU B 193 3.049 -4.927 5.634 1.00 65.15 H new ATOM 0 HB2 LEU B 193 5.232 -4.005 4.719 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.492 -3.190 6.249 1.00 24.10 H new ATOM 0 HG LEU B 193 5.342 -5.615 7.238 1.00 35.55 H new ATOM 0 HD11 LEU B 193 6.235 -7.319 5.800 1.00 41.22 H new ATOM 0 HD12 LEU B 193 4.633 -6.754 5.270 1.00 41.22 H new ATOM 0 HD13 LEU B 193 6.095 -6.225 4.404 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.752 -5.746 6.950 1.00 3.03 H new ATOM 0 HD22 LEU B 193 7.658 -4.531 5.653 1.00 3.03 H new ATOM 0 HD23 LEU B 193 7.215 -4.090 7.320 1.00 3.03 H new ATOM 1179 N GLU B 194 4.100 -3.014 8.041 1.00 32.42 N ATOM 1180 CA GLU B 194 4.264 -2.724 9.353 1.00 1.13 C ATOM 1181 C GLU B 194 2.957 -2.486 10.055 1.00 25.31 C ATOM 1182 O GLU B 194 2.650 -3.090 11.067 1.00 45.10 O ATOM 1183 CB GLU B 194 5.063 -1.480 9.296 1.00 42.50 C ATOM 1184 CG GLU B 194 5.318 -0.954 10.579 1.00 61.52 C ATOM 1185 CD GLU B 194 6.360 0.119 10.576 1.00 43.35 C ATOM 1186 OE1 GLU B 194 6.026 1.291 10.269 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 7.531 -0.185 10.848 1.00 73.13 O ATOM 0 H GLU B 194 4.588 -2.344 7.446 1.00 32.42 H new ATOM 0 HA GLU B 194 4.730 -3.535 9.912 1.00 1.13 H new ATOM 0 HB2 GLU B 194 6.009 -1.680 8.792 1.00 42.50 H new ATOM 0 HB3 GLU B 194 4.534 -0.737 8.699 1.00 42.50 H new ATOM 0 HG2 GLU B 194 4.392 -0.552 10.991 1.00 61.52 H new ATOM 0 HG3 GLU B 194 5.637 -1.761 11.239 1.00 61.52 H new ATOM 1194 N LYS B 195 2.245 -1.596 9.502 1.00 35.45 N ATOM 1195 CA LYS B 195 0.991 -1.128 9.947 1.00 0.22 C ATOM 1196 C LYS B 195 -0.052 -2.255 10.148 1.00 34.32 C ATOM 1197 O LYS B 195 -0.851 -2.195 11.100 1.00 24.42 O ATOM 1198 CB LYS B 195 0.585 -0.127 8.911 1.00 52.22 C ATOM 1199 CG LYS B 195 -0.790 0.384 8.946 1.00 23.11 C ATOM 1200 CD LYS B 195 -0.948 1.463 7.892 1.00 42.32 C ATOM 1201 CE LYS B 195 -0.778 2.889 8.448 1.00 61.10 C ATOM 1202 NZ LYS B 195 0.518 3.165 9.114 1.00 34.23 N1+ ATOM 0 H LYS B 195 2.547 -1.129 8.647 1.00 35.45 H new ATOM 0 HA LYS B 195 1.054 -0.686 10.941 1.00 0.22 H new ATOM 0 HB2 LYS B 195 1.260 0.726 8.988 1.00 52.22 H new ATOM 0 HB3 LYS B 195 0.749 -0.576 7.931 1.00 52.22 H new ATOM 0 HG2 LYS B 195 -1.496 -0.426 8.763 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -1.016 0.787 9.933 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -0.215 1.299 7.102 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -1.934 1.374 7.436 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -0.903 3.597 7.629 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -1.581 3.080 9.160 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 0.526 4.143 9.467 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 0.646 2.509 9.911 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 1.293 3.037 8.432 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.062 -3.268 9.285 1.00 42.45 N ATOM 1217 CA LEU B 196 -0.982 -4.321 9.424 1.00 65.11 C ATOM 1218 C LEU B 196 -0.430 -5.418 10.317 1.00 32.01 C ATOM 1219 O LEU B 196 -1.174 -6.040 11.078 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.339 -4.874 8.054 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.352 -5.816 7.339 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.696 -7.283 7.617 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.328 -5.539 5.853 1.00 63.35 C ATOM 0 H LEU B 196 0.571 -3.354 8.490 1.00 42.45 H new ATOM 0 HA LEU B 196 -1.884 -3.933 9.898 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.286 -5.405 8.152 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.517 -4.025 7.394 1.00 75.42 H new ATOM 0 HG LEU B 196 0.645 -5.625 7.735 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.016 -7.928 7.101 1.00 63.01 H new ATOM 0 HD12 LEU B 196 -0.645 -7.472 8.689 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -1.703 -7.495 7.259 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.376 -6.216 5.368 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -1.324 -5.693 5.438 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.018 -4.508 5.680 1.00 63.35 H new ATOM 1235 N GLN B 197 0.855 -5.662 10.209 1.00 54.12 N ATOM 1236 CA GLN B 197 1.488 -6.709 10.953 1.00 1.52 C ATOM 1237 C GLN B 197 1.719 -6.298 12.388 1.00 14.31 C ATOM 1238 O GLN B 197 1.626 -5.110 12.729 1.00 23.34 O ATOM 1239 CB GLN B 197 2.792 -7.171 10.309 1.00 12.04 C ATOM 1240 CG GLN B 197 2.600 -7.878 8.980 1.00 14.33 C ATOM 1241 CD GLN B 197 3.900 -8.333 8.374 1.00 33.32 C ATOM 1242 OE1 GLN B 197 4.937 -7.718 8.572 1.00 54.42 O ATOM 1243 NE2 GLN B 197 3.856 -9.411 7.645 1.00 34.25 N ATOM 0 H GLN B 197 1.485 -5.137 9.602 1.00 54.12 H new ATOM 0 HA GLN B 197 0.803 -7.557 10.943 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.439 -6.307 10.160 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.308 -7.842 10.996 1.00 12.04 H new ATOM 0 HG2 GLN B 197 1.948 -8.740 9.122 1.00 14.33 H new ATOM 0 HG3 GLN B 197 2.095 -7.207 8.285 1.00 14.33 H new ATOM 0 HE21 GLN B 197 2.970 -9.895 7.504 1.00 34.25 H new ATOM 0 HE22 GLN B 197 4.708 -9.771 7.215 1.00 34.25 H new ATOM 1252 N SER B 198 1.937 -7.255 13.243 1.00 33.54 N ATOM 1253 CA SER B 198 2.258 -6.959 14.600 1.00 12.43 C ATOM 1254 C SER B 198 3.657 -6.331 14.642 1.00 1.54 C ATOM 1255 O SER B 198 4.600 -6.848 14.030 1.00 24.20 O ATOM 1256 CB SER B 198 2.204 -8.236 15.407 1.00 25.00 C ATOM 1257 OG SER B 198 0.961 -8.896 15.185 1.00 4.45 O ATOM 0 H SER B 198 1.897 -8.249 13.019 1.00 33.54 H new ATOM 0 HA SER B 198 1.545 -6.255 15.028 1.00 12.43 H new ATOM 0 HB2 SER B 198 3.029 -8.890 15.125 1.00 25.00 H new ATOM 0 HB3 SER B 198 2.323 -8.012 16.467 1.00 25.00 H new ATOM 0 HG SER B 198 0.932 -9.724 15.709 1.00 4.45 H new ATOM 1263 N HIS B 199 3.771 -5.227 15.313 1.00 64.41 N ATOM 1264 CA HIS B 199 5.009 -4.506 15.370 1.00 72.30 C ATOM 1265 C HIS B 199 5.533 -4.549 16.777 1.00 63.44 C ATOM 1266 O HIS B 199 4.895 -3.955 17.657 1.00 64.51 O ATOM 1267 CB HIS B 199 4.798 -3.062 14.894 1.00 55.12 C ATOM 1268 CG HIS B 199 6.044 -2.229 14.810 1.00 44.44 C ATOM 1269 ND1 HIS B 199 6.801 -2.131 13.666 1.00 1.01 N ATOM 1270 CD2 HIS B 199 6.640 -1.427 15.718 1.00 11.40 C ATOM 1271 CE1 HIS B 199 7.801 -1.303 13.873 1.00 1.32 C ATOM 1272 NE2 HIS B 199 7.725 -0.866 15.107 1.00 12.31 N ATOM 0 H HIS B 199 3.009 -4.798 15.838 1.00 64.41 H new ATOM 0 HA HIS B 199 5.743 -4.967 14.709 1.00 72.30 H new ATOM 0 HB2 HIS B 199 4.329 -3.085 13.911 1.00 55.12 H new ATOM 0 HB3 HIS B 199 4.097 -2.572 15.570 1.00 55.12 H new ATOM 0 HD2 HIS B 199 6.319 -1.260 16.736 1.00 11.40 H new ATOM 0 HE1 HIS B 199 8.556 -1.030 13.151 1.00 1.32 H new ATOM 0 HE2 HIS B 199 8.374 -0.210 15.542 1.00 12.31 H new