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 134 GLN : amide:sc= -0.354 K(o=1.2,f=-4.3) USER MOD Set 1.2: B 173 LYS NZ :NH3+ 169:sc= 1.52 (180deg=1.09) USER MOD Single : B 137 SER OG : rot -44:sc= -0.0476 USER MOD Single : B 138 SER OG : rot 115:sc= -2.35! USER MOD Single : B 140 ASN : amide:sc= -2.41! C(o=-2.4!,f=-11!) USER MOD Single : B 142 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.48) USER MOD Single : B 145 GLN :FLIP amide:sc= -2.03 F(o=-4.8!,f=-2) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : B 156 SER OG : rot -174:sc= -1.27 USER MOD Single : B 159 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : B 161 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.25) USER MOD Single : B 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 GLN :FLIP amide:sc= -0.495 F(o=-1.4!,f=-0.49) USER MOD Single : B 166 LYS NZ :NH3+ -153:sc= -0.23 (180deg=-0.831) USER MOD Single : B 176 GLN : amide:sc=-0.00515 X(o=-0.0051,f=-0.0051) USER MOD Single : B 178 GLN : amide:sc= -0.599 X(o=-0.6,f=-1) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HE2:sc= 0.829 K(o=0.83,f=-3.8!) USER MOD Single : B 182 ASN : amide:sc= -1.75 K(o=-1.7,f=-12!) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 187 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.049) USER MOD Single : B 190 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.7!) USER MOD Single : B 195 LYS NZ :NH3+ -162:sc= 2.31 (180deg=2.06) USER MOD Single : B 197 GLN : amide:sc= -0.0642 K(o=-0.064,f=-1.4!) 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=-0.0044) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -12.692 -2.637 2.213 1.00 55.53 N ATOM 177 CA LEU B 129 -12.697 -3.630 1.168 1.00 45.21 C ATOM 178 C LEU B 129 -11.385 -3.542 0.387 1.00 33.52 C ATOM 179 O LEU B 129 -10.606 -2.619 0.624 1.00 22.43 O ATOM 180 CB LEU B 129 -13.931 -3.444 0.228 1.00 71.14 C ATOM 181 CG LEU B 129 -14.132 -2.074 -0.439 1.00 72.10 C ATOM 182 CD1 LEU B 129 -14.948 -2.232 -1.701 1.00 71.02 C ATOM 183 CD2 LEU B 129 -14.877 -1.146 0.492 1.00 45.41 C ATOM 0 HA LEU B 129 -12.779 -4.622 1.612 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -13.865 -4.193 -0.561 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -14.827 -3.668 0.806 1.00 71.14 H new ATOM 0 HG LEU B 129 -13.151 -1.659 -0.673 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -15.087 -1.257 -2.169 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -14.426 -2.895 -2.391 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -15.921 -2.658 -1.454 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -15.014 -0.179 0.009 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -15.851 -1.574 0.729 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -14.305 -1.015 1.410 1.00 45.41 H new ATOM 195 N PRO B 130 -11.089 -4.503 -0.550 1.00 0.32 N ATOM 196 CA PRO B 130 -9.870 -4.468 -1.377 1.00 63.11 C ATOM 197 C PRO B 130 -9.601 -3.138 -2.055 1.00 21.50 C ATOM 198 O PRO B 130 -8.466 -2.832 -2.339 1.00 1.14 O ATOM 199 CB PRO B 130 -10.114 -5.551 -2.414 1.00 74.52 C ATOM 200 CG PRO B 130 -10.948 -6.542 -1.693 1.00 3.43 C ATOM 201 CD PRO B 130 -11.873 -5.735 -0.836 1.00 14.32 C ATOM 0 HA PRO B 130 -8.986 -4.621 -0.757 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.627 -5.158 -3.291 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.179 -5.991 -2.762 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.505 -7.168 -2.390 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.332 -7.208 -1.088 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.805 -5.507 -1.354 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.138 -6.265 0.079 1.00 14.32 H new ATOM 209 N ALA B 131 -10.628 -2.330 -2.258 1.00 12.31 N ATOM 210 CA ALA B 131 -10.471 -1.041 -2.922 1.00 41.31 C ATOM 211 C ALA B 131 -9.439 -0.146 -2.222 1.00 3.12 C ATOM 212 O ALA B 131 -8.728 0.602 -2.880 1.00 52.45 O ATOM 213 CB ALA B 131 -11.804 -0.329 -3.063 1.00 12.14 C ATOM 0 H ALA B 131 -11.584 -2.542 -1.972 1.00 12.31 H new ATOM 0 HA ALA B 131 -10.088 -1.247 -3.922 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.654 0.629 -3.562 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.484 -0.943 -3.654 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -12.233 -0.160 -2.075 1.00 12.14 H new ATOM 219 N LEU B 132 -9.327 -0.263 -0.899 1.00 31.23 N ATOM 220 CA LEU B 132 -8.349 0.529 -0.155 1.00 71.30 C ATOM 221 C LEU B 132 -6.920 0.036 -0.421 1.00 32.55 C ATOM 222 O LEU B 132 -5.967 0.803 -0.398 1.00 34.51 O ATOM 223 CB LEU B 132 -8.687 0.568 1.382 1.00 34.00 C ATOM 224 CG LEU B 132 -8.683 -0.767 2.205 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.271 -1.268 2.538 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.495 -0.614 3.477 1.00 65.03 C ATOM 0 H LEU B 132 -9.893 -0.890 -0.327 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.407 1.556 -0.515 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.978 1.247 1.856 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.675 1.015 1.488 1.00 34.00 H new ATOM 0 HG LEU B 132 -9.143 -1.520 1.566 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.339 -2.195 3.108 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.722 -1.450 1.614 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.748 -0.516 3.129 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.480 -1.551 4.033 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.066 0.179 4.090 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.524 -0.360 3.223 1.00 65.03 H new ATOM 238 N VAL B 133 -6.785 -1.252 -0.643 1.00 20.30 N ATOM 239 CA VAL B 133 -5.492 -1.847 -0.851 1.00 2.44 C ATOM 240 C VAL B 133 -5.036 -1.759 -2.290 1.00 41.43 C ATOM 241 O VAL B 133 -3.866 -1.577 -2.560 1.00 11.14 O ATOM 242 CB VAL B 133 -5.448 -3.315 -0.356 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.967 -4.306 -1.339 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.106 -3.706 0.158 1.00 60.04 C ATOM 0 H VAL B 133 -7.564 -1.909 -0.684 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.793 -1.263 -0.252 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.142 -3.340 0.484 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.901 -5.308 -0.915 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -7.007 -4.078 -1.571 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.373 -4.259 -2.252 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.132 -4.743 0.491 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.367 -3.598 -0.636 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.835 -3.063 0.995 1.00 60.04 H new ATOM 254 N GLN B 134 -5.988 -1.869 -3.193 1.00 51.03 N ATOM 255 CA GLN B 134 -5.734 -2.044 -4.623 1.00 1.43 C ATOM 256 C GLN B 134 -4.739 -1.068 -5.246 1.00 10.22 C ATOM 257 O GLN B 134 -3.905 -1.462 -6.081 1.00 3.33 O ATOM 258 CB GLN B 134 -7.016 -2.109 -5.439 1.00 62.21 C ATOM 259 CG GLN B 134 -7.809 -3.384 -5.224 1.00 72.32 C ATOM 260 CD GLN B 134 -7.016 -4.628 -5.586 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.310 -5.210 -4.756 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.118 -5.042 -6.811 1.00 42.35 N ATOM 0 H GLN B 134 -6.980 -1.840 -2.958 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.240 -3.014 -4.668 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.643 -1.254 -5.184 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.768 -2.019 -6.497 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.118 -3.445 -4.181 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.718 -3.349 -5.824 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -7.710 -4.539 -7.472 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -6.606 -5.871 -7.113 1.00 42.35 H new ATOM 271 N LEU B 135 -4.793 0.170 -4.818 1.00 31.00 N ATOM 272 CA LEU B 135 -3.902 1.223 -5.319 1.00 53.40 C ATOM 273 C LEU B 135 -2.440 0.934 -5.015 1.00 44.52 C ATOM 274 O LEU B 135 -1.573 1.428 -5.697 1.00 61.22 O ATOM 275 CB LEU B 135 -4.280 2.617 -4.772 1.00 12.34 C ATOM 276 CG LEU B 135 -4.550 2.713 -3.262 1.00 11.04 C ATOM 277 CD1 LEU B 135 -4.146 4.085 -2.732 1.00 24.03 C ATOM 278 CD2 LEU B 135 -6.038 2.501 -3.005 1.00 52.53 C ATOM 0 H LEU B 135 -5.454 0.491 -4.110 1.00 31.00 H new ATOM 0 HA LEU B 135 -4.034 1.229 -6.401 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -3.475 3.310 -5.019 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -5.170 2.960 -5.300 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.964 1.949 -2.751 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.344 4.134 -1.661 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -3.083 4.246 -2.912 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.721 4.857 -3.244 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.236 2.568 -1.935 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.610 3.267 -3.528 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.333 1.516 -3.367 1.00 52.53 H new ATOM 290 N LEU B 136 -2.185 0.083 -4.024 1.00 21.22 N ATOM 291 CA LEU B 136 -0.824 -0.243 -3.594 1.00 44.41 C ATOM 292 C LEU B 136 -0.160 -1.132 -4.609 1.00 40.11 C ATOM 293 O LEU B 136 1.049 -1.219 -4.678 1.00 61.31 O ATOM 294 CB LEU B 136 -0.861 -0.991 -2.286 1.00 1.14 C ATOM 295 CG LEU B 136 0.342 -0.813 -1.345 1.00 52.41 C ATOM 296 CD1 LEU B 136 0.469 0.639 -0.904 1.00 41.23 C ATOM 297 CD2 LEU B 136 0.218 -1.720 -0.126 1.00 34.05 C ATOM 0 H LEU B 136 -2.912 -0.400 -3.497 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.271 0.690 -3.485 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.759 -0.688 -1.748 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.964 -2.053 -2.506 1.00 1.14 H new ATOM 0 HG LEU B 136 1.241 -1.093 -1.895 1.00 52.41 H new ATOM 0 HD11 LEU B 136 1.326 0.744 -0.239 1.00 41.23 H new ATOM 0 HD12 LEU B 136 0.609 1.274 -1.779 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.437 0.940 -0.378 1.00 41.23 H new ATOM 0 HD21 LEU B 136 1.081 -1.576 0.524 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -0.693 -1.474 0.420 1.00 34.05 H new ATOM 0 HD23 LEU B 136 0.177 -2.760 -0.449 1.00 34.05 H new ATOM 309 N SER B 137 -0.954 -1.776 -5.409 1.00 11.45 N ATOM 310 CA SER B 137 -0.434 -2.696 -6.365 1.00 2.00 C ATOM 311 C SER B 137 -0.292 -1.980 -7.727 1.00 23.45 C ATOM 312 O SER B 137 -0.258 -2.627 -8.783 1.00 1.12 O ATOM 313 CB SER B 137 -1.354 -3.937 -6.481 1.00 70.13 C ATOM 314 OG SER B 137 -0.906 -4.888 -7.431 1.00 44.15 O ATOM 0 H SER B 137 -1.969 -1.678 -5.416 1.00 11.45 H new ATOM 0 HA SER B 137 0.547 -3.044 -6.042 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.427 -4.417 -5.505 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.358 -3.611 -6.752 1.00 70.13 H new ATOM 0 HG SER B 137 -0.625 -4.426 -8.249 1.00 44.15 H new ATOM 320 N SER B 138 -0.183 -0.661 -7.664 1.00 30.13 N ATOM 321 CA SER B 138 -0.234 0.237 -8.791 1.00 70.24 C ATOM 322 C SER B 138 0.611 -0.175 -10.029 1.00 64.22 C ATOM 323 O SER B 138 1.677 -0.802 -9.910 1.00 31.04 O ATOM 324 CB SER B 138 0.243 1.564 -8.289 1.00 65.30 C ATOM 325 OG SER B 138 1.525 1.420 -7.710 1.00 2.10 O ATOM 0 H SER B 138 -0.050 -0.172 -6.779 1.00 30.13 H new ATOM 0 HA SER B 138 -1.261 0.238 -9.158 1.00 70.24 H new ATOM 0 HB2 SER B 138 0.282 2.282 -9.109 1.00 65.30 H new ATOM 0 HB3 SER B 138 -0.457 1.959 -7.553 1.00 65.30 H new ATOM 0 HG SER B 138 2.181 1.921 -8.238 1.00 2.10 H new ATOM 331 N PRO B 139 0.146 0.247 -11.230 1.00 3.54 N ATOM 332 CA PRO B 139 0.848 0.034 -12.526 1.00 24.41 C ATOM 333 C PRO B 139 1.996 1.035 -12.624 1.00 3.55 C ATOM 334 O PRO B 139 2.975 0.868 -13.362 1.00 33.11 O ATOM 335 CB PRO B 139 -0.202 0.542 -13.546 1.00 51.14 C ATOM 336 CG PRO B 139 -0.894 1.587 -12.749 1.00 12.24 C ATOM 337 CD PRO B 139 -1.132 0.954 -11.445 1.00 64.24 C ATOM 0 HA PRO B 139 1.207 -0.986 -12.660 1.00 24.41 H new ATOM 0 HB2 PRO B 139 0.261 0.949 -14.445 1.00 51.14 H new ATOM 0 HB3 PRO B 139 -0.881 -0.248 -13.866 1.00 51.14 H new ATOM 0 HG2 PRO B 139 -0.281 2.482 -12.650 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -1.829 1.892 -13.219 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.333 1.686 -10.663 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -1.981 0.271 -11.468 1.00 64.24 H new ATOM 345 N ASN B 140 1.828 2.070 -11.859 1.00 23.02 N ATOM 346 CA ASN B 140 2.570 3.234 -11.935 1.00 20.23 C ATOM 347 C ASN B 140 2.900 3.640 -10.533 1.00 43.12 C ATOM 348 O ASN B 140 1.992 3.788 -9.711 1.00 34.53 O ATOM 349 CB ASN B 140 1.678 4.370 -12.508 1.00 62.14 C ATOM 350 CG ASN B 140 2.481 5.541 -12.992 1.00 24.03 C ATOM 351 OD1 ASN B 140 3.607 5.734 -12.575 1.00 54.34 O ATOM 352 ND2 ASN B 140 1.921 6.337 -13.850 1.00 42.30 N ATOM 0 H ASN B 140 1.117 2.099 -11.128 1.00 23.02 H new ATOM 0 HA ASN B 140 3.453 3.075 -12.553 1.00 20.23 H new ATOM 0 HB2 ASN B 140 1.080 3.978 -13.331 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.982 4.704 -11.739 1.00 62.14 H new ATOM 0 HD21 ASN B 140 2.427 7.153 -14.195 1.00 42.30 H new ATOM 0 HD22 ASN B 140 0.975 6.147 -14.180 1.00 42.30 H new ATOM 359 N GLU B 141 4.153 3.866 -10.265 1.00 73.15 N ATOM 360 CA GLU B 141 4.587 4.345 -8.965 1.00 45.35 C ATOM 361 C GLU B 141 4.038 5.753 -8.703 1.00 73.44 C ATOM 362 O GLU B 141 3.905 6.199 -7.559 1.00 64.43 O ATOM 363 CB GLU B 141 6.096 4.334 -8.913 1.00 72.42 C ATOM 364 CG GLU B 141 6.683 2.937 -8.893 1.00 31.50 C ATOM 365 CD GLU B 141 8.171 2.954 -8.969 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.701 2.993 -10.093 1.00 72.31 O ATOM 367 OE2 GLU B 141 8.837 2.924 -7.924 1.00 2.24 O1- ATOM 0 H GLU B 141 4.910 3.727 -10.934 1.00 73.15 H new ATOM 0 HA GLU B 141 4.200 3.689 -8.185 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.487 4.873 -9.776 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.426 4.873 -8.025 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.373 2.427 -7.981 1.00 31.50 H new ATOM 0 HG3 GLU B 141 6.284 2.364 -9.730 1.00 31.50 H new ATOM 374 N GLN B 142 3.705 6.429 -9.777 1.00 51.13 N ATOM 375 CA GLN B 142 3.116 7.737 -9.739 1.00 31.54 C ATOM 376 C GLN B 142 1.702 7.679 -9.224 1.00 51.24 C ATOM 377 O GLN B 142 1.401 8.230 -8.168 1.00 5.41 O ATOM 378 CB GLN B 142 3.130 8.324 -11.132 1.00 3.13 C ATOM 379 CG GLN B 142 4.543 8.580 -11.641 1.00 43.42 C ATOM 380 CD GLN B 142 5.314 9.541 -10.755 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.968 9.139 -9.787 1.00 44.11 O ATOM 382 NE2 GLN B 142 5.281 10.794 -11.091 1.00 63.34 N ATOM 0 H GLN B 142 3.842 6.072 -10.723 1.00 51.13 H new ATOM 0 HA GLN B 142 3.696 8.364 -9.062 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.619 7.645 -11.814 1.00 3.13 H new ATOM 0 HB3 GLN B 142 2.571 9.260 -11.135 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.081 7.634 -11.700 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.494 8.983 -12.653 1.00 43.42 H new ATOM 0 HE21 GLN B 142 4.730 11.092 -11.896 1.00 63.34 H new ATOM 0 HE22 GLN B 142 5.806 11.481 -10.550 1.00 63.34 H new ATOM 391 N ILE B 143 0.861 6.931 -9.939 1.00 34.31 N ATOM 392 CA ILE B 143 -0.573 6.843 -9.654 1.00 21.53 C ATOM 393 C ILE B 143 -0.807 6.303 -8.249 1.00 1.45 C ATOM 394 O ILE B 143 -1.793 6.646 -7.593 1.00 53.35 O ATOM 395 CB ILE B 143 -1.307 5.979 -10.737 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.070 4.486 -10.589 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.996 6.457 -12.111 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.137 3.798 -9.752 1.00 51.44 C ATOM 0 H ILE B 143 1.156 6.366 -10.736 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.997 7.846 -9.698 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.374 6.121 -10.564 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.040 4.028 -11.578 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.094 4.322 -10.132 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.520 5.838 -12.839 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.318 7.493 -12.217 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.078 6.391 -12.285 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.914 2.733 -9.682 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -2.152 4.232 -8.752 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.111 3.934 -10.221 1.00 51.44 H new ATOM 410 N LEU B 144 0.138 5.460 -7.809 1.00 55.31 N ATOM 411 CA LEU B 144 0.165 4.885 -6.483 1.00 51.23 C ATOM 412 C LEU B 144 0.051 5.986 -5.466 1.00 35.13 C ATOM 413 O LEU B 144 -0.916 6.067 -4.726 1.00 44.33 O ATOM 414 CB LEU B 144 1.511 4.208 -6.270 1.00 3.21 C ATOM 415 CG LEU B 144 1.762 3.633 -4.881 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.164 2.280 -4.693 1.00 13.41 C ATOM 417 CD2 LEU B 144 3.209 3.658 -4.536 1.00 24.12 C ATOM 0 H LEU B 144 0.920 5.160 -8.392 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.655 4.174 -6.378 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.608 3.402 -6.997 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.297 4.931 -6.489 1.00 3.21 H new ATOM 0 HG LEU B 144 1.245 4.285 -4.178 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.377 1.925 -3.685 1.00 13.41 H new ATOM 0 HD12 LEU B 144 0.085 2.336 -4.838 1.00 13.41 H new ATOM 0 HD13 LEU B 144 1.592 1.589 -5.419 1.00 13.41 H new ATOM 0 HD21 LEU B 144 3.353 3.241 -3.539 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.766 3.065 -5.261 1.00 24.12 H new ATOM 0 HD23 LEU B 144 3.570 4.686 -4.554 1.00 24.12 H new ATOM 429 N GLN B 145 1.022 6.873 -5.500 1.00 62.02 N ATOM 430 CA GLN B 145 1.125 7.948 -4.560 1.00 14.14 C ATOM 431 C GLN B 145 0.043 8.969 -4.771 1.00 53.32 C ATOM 432 O GLN B 145 -0.437 9.578 -3.807 1.00 13.44 O ATOM 433 CB GLN B 145 2.504 8.565 -4.624 1.00 31.14 C ATOM 434 CG GLN B 145 3.581 7.616 -4.132 1.00 35.44 C ATOM 435 CD GLN B 145 3.494 7.338 -2.658 1.00 5.04 C ATOM 436 OE1 GLN B 145 3.953 6.195 -2.256 1.00 4.41 O flip ATOM 437 NE2 GLN B 145 3.030 8.156 -1.881 1.00 60.40 N flip ATOM 0 H GLN B 145 1.769 6.860 -6.195 1.00 62.02 H new ATOM 0 HA GLN B 145 0.982 7.546 -3.557 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.722 8.858 -5.651 1.00 31.14 H new ATOM 0 HB3 GLN B 145 2.521 9.474 -4.023 1.00 31.14 H new ATOM 0 HG2 GLN B 145 3.505 6.676 -4.678 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.560 8.038 -4.359 1.00 35.44 H new ATOM 0 HE21 GLN B 145 2.677 9.047 -2.229 1.00 60.40 H new ATOM 0 HE22 GLN B 145 2.995 7.949 -0.883 1.00 60.40 H new ATOM 446 N GLU B 146 -0.358 9.143 -6.022 1.00 55.14 N ATOM 447 CA GLU B 146 -1.456 10.047 -6.356 1.00 32.43 C ATOM 448 C GLU B 146 -2.719 9.633 -5.617 1.00 61.02 C ATOM 449 O GLU B 146 -3.420 10.471 -5.052 1.00 62.21 O ATOM 450 CB GLU B 146 -1.729 10.100 -7.866 1.00 61.15 C ATOM 451 CG GLU B 146 -0.537 10.530 -8.692 1.00 73.43 C ATOM 452 CD GLU B 146 -0.871 10.778 -10.143 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.189 9.825 -10.882 1.00 3.34 O ATOM 454 OE2 GLU B 146 -0.780 11.947 -10.584 1.00 22.34 O1- ATOM 0 H GLU B 146 0.059 8.671 -6.825 1.00 55.14 H new ATOM 0 HA GLU B 146 -1.156 11.047 -6.042 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -2.054 9.115 -8.201 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.554 10.788 -8.052 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.116 11.440 -8.263 1.00 73.43 H new ATOM 0 HG3 GLU B 146 0.234 9.762 -8.630 1.00 73.43 H new ATOM 461 N ALA B 147 -3.009 8.346 -5.609 1.00 15.44 N ATOM 462 CA ALA B 147 -4.173 7.857 -4.888 1.00 72.45 C ATOM 463 C ALA B 147 -3.902 7.718 -3.393 1.00 11.52 C ATOM 464 O ALA B 147 -4.763 8.062 -2.571 1.00 71.22 O ATOM 465 CB ALA B 147 -4.693 6.562 -5.468 1.00 4.23 C ATOM 0 H ALA B 147 -2.465 7.627 -6.086 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.952 8.609 -5.011 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.563 6.232 -4.900 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.977 6.718 -6.509 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.915 5.801 -5.415 1.00 4.23 H new ATOM 471 N LEU B 148 -2.702 7.243 -3.035 1.00 50.13 N ATOM 472 CA LEU B 148 -2.309 7.053 -1.636 1.00 10.21 C ATOM 473 C LEU B 148 -2.473 8.313 -0.843 1.00 72.25 C ATOM 474 O LEU B 148 -2.804 8.257 0.301 1.00 11.01 O ATOM 475 CB LEU B 148 -0.852 6.630 -1.505 1.00 24.22 C ATOM 476 CG LEU B 148 -0.469 5.192 -1.837 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.042 5.047 -1.768 1.00 75.04 C ATOM 478 CD2 LEU B 148 -1.116 4.227 -0.853 1.00 53.12 C ATOM 0 H LEU B 148 -1.980 6.981 -3.706 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.963 6.270 -1.253 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.260 7.285 -2.145 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.544 6.824 -0.478 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.820 4.956 -2.841 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.320 4.020 -2.005 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.506 5.723 -2.486 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.386 5.294 -0.763 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.832 3.205 -1.105 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.780 4.458 0.158 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -2.200 4.326 -0.906 1.00 53.12 H new ATOM 490 N TRP B 149 -2.247 9.435 -1.477 1.00 72.11 N ATOM 491 CA TRP B 149 -2.330 10.735 -0.834 1.00 73.33 C ATOM 492 C TRP B 149 -3.665 10.900 -0.090 1.00 33.51 C ATOM 493 O TRP B 149 -3.717 11.425 1.031 1.00 12.44 O ATOM 494 CB TRP B 149 -2.192 11.821 -1.871 1.00 5.20 C ATOM 495 CG TRP B 149 -1.783 13.123 -1.277 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.535 13.462 -0.852 1.00 14.14 C ATOM 497 CD2 TRP B 149 -2.612 14.255 -1.034 1.00 64.10 C ATOM 498 NE1 TRP B 149 -0.538 14.730 -0.351 1.00 44.31 N ATOM 499 CE2 TRP B 149 -1.800 15.244 -0.453 1.00 41.22 C ATOM 500 CE3 TRP B 149 -3.963 14.530 -1.252 1.00 50.34 C ATOM 501 CZ2 TRP B 149 -2.293 16.484 -0.084 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -4.449 15.760 -0.885 1.00 0.00 C ATOM 503 CH2 TRP B 149 -3.616 16.722 -0.310 1.00 21.30 C ATOM 0 H TRP B 149 -1.997 9.479 -2.465 1.00 72.11 H new ATOM 0 HA TRP B 149 -1.521 10.811 -0.108 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -1.456 11.517 -2.616 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.141 11.945 -2.392 1.00 5.20 H new ATOM 0 HD1 TRP B 149 0.332 12.820 -0.904 1.00 14.14 H new ATOM 0 HE1 TRP B 149 0.270 15.216 0.037 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -4.611 13.791 -1.700 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 -1.656 17.232 0.364 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -5.493 15.988 -1.044 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -4.031 17.681 -0.037 1.00 21.30 H new ATOM 514 N ALA B 150 -4.727 10.450 -0.712 1.00 4.41 N ATOM 515 CA ALA B 150 -6.025 10.489 -0.097 1.00 55.10 C ATOM 516 C ALA B 150 -6.247 9.238 0.769 1.00 74.03 C ATOM 517 O ALA B 150 -6.646 9.320 1.929 1.00 33.30 O ATOM 518 CB ALA B 150 -7.110 10.617 -1.155 1.00 15.21 C ATOM 0 H ALA B 150 -4.714 10.050 -1.650 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.078 11.364 0.551 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.087 10.645 -0.673 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -6.959 11.535 -1.722 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.063 9.762 -1.830 1.00 15.21 H new ATOM 524 N LEU B 151 -5.923 8.088 0.197 1.00 70.43 N ATOM 525 CA LEU B 151 -6.175 6.774 0.813 1.00 60.43 C ATOM 526 C LEU B 151 -5.316 6.446 2.032 1.00 0.01 C ATOM 527 O LEU B 151 -5.665 5.586 2.803 1.00 1.42 O ATOM 528 CB LEU B 151 -6.051 5.656 -0.212 1.00 30.21 C ATOM 529 CG LEU B 151 -7.235 5.410 -1.156 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.476 4.993 -0.374 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.535 6.608 -2.051 1.00 54.11 C ATOM 0 H LEU B 151 -5.473 8.030 -0.717 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.198 6.846 1.181 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -5.173 5.860 -0.824 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.855 4.729 0.327 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.944 4.592 -1.815 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -9.302 4.824 -1.065 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -8.269 4.074 0.175 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.746 5.782 0.328 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.382 6.376 -2.697 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.776 7.473 -1.433 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.662 6.832 -2.664 1.00 54.11 H new ATOM 543 N SER B 152 -4.217 7.108 2.200 1.00 60.31 N ATOM 544 CA SER B 152 -3.299 6.845 3.301 1.00 74.51 C ATOM 545 C SER B 152 -3.971 7.077 4.675 1.00 11.20 C ATOM 546 O SER B 152 -3.568 6.494 5.696 1.00 33.33 O ATOM 547 CB SER B 152 -2.019 7.657 3.102 1.00 21.44 C ATOM 548 OG SER B 152 -1.039 7.392 4.089 1.00 22.11 O ATOM 0 H SER B 152 -3.913 7.858 1.579 1.00 60.31 H new ATOM 0 HA SER B 152 -3.021 5.791 3.298 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.605 7.437 2.118 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.263 8.719 3.115 1.00 21.44 H new ATOM 0 HG SER B 152 -0.243 7.935 3.913 1.00 22.11 H new ATOM 554 N ASN B 153 -5.042 7.874 4.677 1.00 64.24 N ATOM 555 CA ASN B 153 -5.848 8.109 5.880 1.00 44.31 C ATOM 556 C ASN B 153 -6.523 6.817 6.360 1.00 64.55 C ATOM 557 O ASN B 153 -6.956 6.710 7.508 1.00 64.23 O ATOM 558 CB ASN B 153 -6.885 9.218 5.661 1.00 63.41 C ATOM 559 CG ASN B 153 -6.247 10.583 5.496 1.00 23.31 C ATOM 560 OD1 ASN B 153 -5.932 11.014 4.375 1.00 40.43 O ATOM 561 ND2 ASN B 153 -6.028 11.268 6.586 1.00 50.30 N ATOM 0 H ASN B 153 -5.374 8.372 3.851 1.00 64.24 H new ATOM 0 HA ASN B 153 -5.167 8.445 6.662 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -7.477 8.988 4.775 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -7.572 9.241 6.507 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -5.586 12.186 6.531 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -6.299 10.885 7.492 1.00 50.30 H new ATOM 568 N ILE B 154 -6.605 5.844 5.466 1.00 75.13 N ATOM 569 CA ILE B 154 -7.119 4.518 5.770 1.00 55.41 C ATOM 570 C ILE B 154 -6.181 3.818 6.776 1.00 43.23 C ATOM 571 O ILE B 154 -6.625 3.259 7.782 1.00 31.12 O ATOM 572 CB ILE B 154 -7.228 3.670 4.452 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.350 4.199 3.522 1.00 50.30 C ATOM 574 CG2 ILE B 154 -7.386 2.185 4.713 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.753 4.097 4.091 1.00 21.43 C ATOM 0 H ILE B 154 -6.312 5.955 4.495 1.00 75.13 H new ATOM 0 HA ILE B 154 -8.112 4.609 6.211 1.00 55.41 H new ATOM 0 HB ILE B 154 -6.276 3.794 3.936 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -8.144 5.243 3.286 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -8.314 3.647 2.583 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.456 1.654 3.764 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.523 1.820 5.270 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -8.293 2.012 5.293 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.468 4.491 3.369 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.986 3.053 4.299 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -9.814 4.674 5.014 1.00 21.43 H new ATOM 587 N ALA B 155 -4.884 3.927 6.528 1.00 10.31 N ATOM 588 CA ALA B 155 -3.877 3.260 7.340 1.00 14.12 C ATOM 589 C ALA B 155 -3.734 3.932 8.695 1.00 64.41 C ATOM 590 O ALA B 155 -3.572 3.260 9.725 1.00 71.04 O ATOM 591 CB ALA B 155 -2.542 3.229 6.612 1.00 41.11 C ATOM 0 H ALA B 155 -4.501 4.479 5.760 1.00 10.31 H new ATOM 0 HA ALA B 155 -4.203 2.234 7.509 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -1.800 2.727 7.233 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.653 2.689 5.671 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -2.215 4.249 6.409 1.00 41.11 H new ATOM 597 N SER B 156 -3.839 5.244 8.710 1.00 4.52 N ATOM 598 CA SER B 156 -3.719 6.004 9.933 1.00 54.22 C ATOM 599 C SER B 156 -4.974 5.867 10.813 1.00 33.11 C ATOM 600 O SER B 156 -4.981 6.273 11.989 1.00 31.14 O ATOM 601 CB SER B 156 -3.399 7.462 9.605 1.00 51.15 C ATOM 602 OG SER B 156 -4.254 7.950 8.579 1.00 71.21 O ATOM 0 H SER B 156 -4.009 5.810 7.879 1.00 4.52 H new ATOM 0 HA SER B 156 -2.894 5.598 10.519 1.00 54.22 H new ATOM 0 HB2 SER B 156 -3.512 8.074 10.500 1.00 51.15 H new ATOM 0 HB3 SER B 156 -2.359 7.548 9.289 1.00 51.15 H new ATOM 0 HG SER B 156 -3.972 8.852 8.319 1.00 71.21 H new ATOM 608 N GLY B 157 -6.024 5.273 10.243 1.00 64.35 N ATOM 609 CA GLY B 157 -7.239 5.026 10.977 1.00 65.32 C ATOM 610 C GLY B 157 -7.071 3.893 11.960 1.00 30.23 C ATOM 611 O GLY B 157 -7.745 3.846 12.993 1.00 41.22 O ATOM 0 H GLY B 157 -6.045 4.958 9.273 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -7.534 5.930 11.509 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -8.044 4.789 10.281 1.00 65.32 H new ATOM 615 N GLY B 158 -6.173 2.988 11.642 1.00 4.51 N ATOM 616 CA GLY B 158 -5.862 1.884 12.514 1.00 1.13 C ATOM 617 C GLY B 158 -6.871 0.767 12.456 1.00 32.24 C ATOM 618 O GLY B 158 -7.494 0.556 11.408 1.00 23.13 O ATOM 0 H GLY B 158 -5.640 2.999 10.772 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -4.880 1.490 12.251 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -5.795 2.249 13.539 1.00 1.13 H new ATOM 622 N ASN B 159 -7.053 0.115 13.613 1.00 23.14 N ATOM 623 CA ASN B 159 -7.821 -1.152 13.842 1.00 4.32 C ATOM 624 C ASN B 159 -8.801 -1.555 12.738 1.00 43.12 C ATOM 625 O ASN B 159 -8.615 -2.595 12.106 1.00 73.44 O ATOM 626 CB ASN B 159 -8.545 -1.118 15.197 1.00 41.53 C ATOM 627 CG ASN B 159 -9.106 -2.476 15.615 1.00 73.54 C ATOM 628 OD1 ASN B 159 -8.400 -3.266 16.254 1.00 53.51 O ATOM 629 ND2 ASN B 159 -10.356 -2.755 15.304 1.00 13.35 N ATOM 0 H ASN B 159 -6.648 0.468 14.480 1.00 23.14 H new ATOM 0 HA ASN B 159 -7.053 -1.926 13.832 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -7.853 -0.767 15.962 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -9.360 -0.395 15.148 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -10.767 -3.643 15.591 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -10.912 -2.083 14.776 1.00 13.35 H new ATOM 636 N GLU B 160 -9.812 -0.740 12.491 1.00 61.13 N ATOM 637 CA GLU B 160 -10.855 -1.072 11.519 1.00 44.33 C ATOM 638 C GLU B 160 -10.326 -1.297 10.106 1.00 21.45 C ATOM 639 O GLU B 160 -10.492 -2.372 9.546 1.00 55.12 O ATOM 640 CB GLU B 160 -11.990 -0.054 11.546 1.00 21.44 C ATOM 641 CG GLU B 160 -12.815 -0.125 12.815 1.00 75.15 C ATOM 642 CD GLU B 160 -13.407 -1.501 13.018 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.517 -1.782 12.481 1.00 5.33 O ATOM 644 OE2 GLU B 160 -12.782 -2.329 13.700 1.00 51.14 O1- ATOM 0 H GLU B 160 -9.938 0.162 12.950 1.00 61.13 H new ATOM 0 HA GLU B 160 -11.260 -2.034 11.834 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -11.575 0.949 11.444 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -12.640 -0.219 10.686 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -12.191 0.133 13.670 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -13.616 0.613 12.771 1.00 75.15 H new ATOM 651 N GLN B 161 -9.672 -0.323 9.550 1.00 55.22 N ATOM 652 CA GLN B 161 -9.145 -0.461 8.202 1.00 4.24 C ATOM 653 C GLN B 161 -7.840 -1.238 8.188 1.00 2.21 C ATOM 654 O GLN B 161 -7.446 -1.785 7.181 1.00 4.14 O ATOM 655 CB GLN B 161 -8.967 0.885 7.512 1.00 73.31 C ATOM 656 CG GLN B 161 -10.247 1.546 6.990 1.00 74.15 C ATOM 657 CD GLN B 161 -11.247 1.888 8.062 1.00 63.34 C ATOM 658 OE1 GLN B 161 -12.129 1.093 8.390 1.00 30.32 O ATOM 659 NE2 GLN B 161 -11.114 3.059 8.617 1.00 71.32 N ATOM 0 H GLN B 161 -9.485 0.576 9.995 1.00 55.22 H new ATOM 0 HA GLN B 161 -9.888 -1.026 7.639 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -8.488 1.569 8.212 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -8.282 0.754 6.675 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -9.980 2.457 6.455 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -10.719 0.879 6.268 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -10.368 3.685 8.314 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -11.755 3.349 9.355 1.00 71.32 H new ATOM 668 N LYS B 162 -7.197 -1.303 9.315 1.00 0.01 N ATOM 669 CA LYS B 162 -5.909 -1.953 9.431 1.00 53.04 C ATOM 670 C LYS B 162 -6.053 -3.475 9.435 1.00 54.42 C ATOM 671 O LYS B 162 -5.142 -4.182 9.072 1.00 41.24 O ATOM 672 CB LYS B 162 -5.245 -1.484 10.697 1.00 52.24 C ATOM 673 CG LYS B 162 -3.799 -1.839 10.855 1.00 72.31 C ATOM 674 CD LYS B 162 -3.321 -1.384 12.208 1.00 53.42 C ATOM 675 CE LYS B 162 -3.871 -2.264 13.316 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.384 -1.850 14.628 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.545 -0.908 10.188 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.297 -1.688 8.569 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.340 -0.400 10.752 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -5.793 -1.895 11.544 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -3.663 -2.916 10.752 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.209 -1.367 10.070 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.231 -1.401 12.235 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.628 -0.352 12.375 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -4.960 -2.226 13.304 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -3.586 -3.300 13.133 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -3.781 -2.474 15.359 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -2.346 -1.910 14.648 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -3.677 -0.870 14.814 1.00 22.01 H new ATOM 690 N GLN B 163 -7.200 -3.968 9.848 1.00 45.04 N ATOM 691 CA GLN B 163 -7.448 -5.415 9.853 1.00 54.43 C ATOM 692 C GLN B 163 -7.912 -5.849 8.464 1.00 43.34 C ATOM 693 O GLN B 163 -7.744 -6.999 8.052 1.00 51.54 O ATOM 694 CB GLN B 163 -8.525 -5.753 10.882 1.00 0.44 C ATOM 695 CG GLN B 163 -9.886 -5.223 10.503 1.00 12.45 C ATOM 696 CD GLN B 163 -10.894 -5.305 11.617 1.00 32.52 C ATOM 697 OE1 GLN B 163 -10.955 -4.276 12.404 1.00 71.21 O flip ATOM 698 NE2 GLN B 163 -11.599 -6.305 11.772 1.00 35.45 N flip ATOM 0 H GLN B 163 -7.979 -3.402 10.185 1.00 45.04 H new ATOM 0 HA GLN B 163 -6.529 -5.940 10.115 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -8.582 -6.835 10.999 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -8.237 -5.342 11.850 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -9.788 -4.184 10.188 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.259 -5.782 9.645 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -11.517 -7.092 11.128 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -12.264 -6.345 12.544 1.00 35.45 H new ATOM 707 N ALA B 164 -8.456 -4.887 7.749 1.00 52.32 N ATOM 708 CA ALA B 164 -9.031 -5.067 6.438 1.00 30.11 C ATOM 709 C ALA B 164 -8.013 -5.547 5.472 1.00 13.35 C ATOM 710 O ALA B 164 -8.214 -6.509 4.757 1.00 74.41 O ATOM 711 CB ALA B 164 -9.484 -3.741 5.961 1.00 12.31 C ATOM 0 H ALA B 164 -8.511 -3.924 8.080 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.842 -5.792 6.506 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.925 -3.842 4.969 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.228 -3.341 6.650 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.633 -3.062 5.912 1.00 12.31 H new ATOM 717 N VAL B 165 -6.897 -4.877 5.520 1.00 3.02 N ATOM 718 CA VAL B 165 -5.794 -5.006 4.592 1.00 13.21 C ATOM 719 C VAL B 165 -5.327 -6.464 4.409 1.00 2.43 C ATOM 720 O VAL B 165 -4.885 -6.844 3.338 1.00 61.00 O ATOM 721 CB VAL B 165 -4.607 -4.123 5.063 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.092 -2.760 5.388 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.028 -4.657 6.291 1.00 41.10 C ATOM 0 H VAL B 165 -6.716 -4.185 6.247 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.153 -4.667 3.620 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.870 -4.107 4.260 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.255 -2.145 5.718 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.543 -2.314 4.502 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -5.835 -2.818 6.183 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.197 -4.025 6.606 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.787 -4.676 7.073 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.666 -5.670 6.112 1.00 41.10 H new ATOM 733 N LYS B 166 -5.479 -7.280 5.432 1.00 72.33 N ATOM 734 CA LYS B 166 -5.012 -8.645 5.372 1.00 62.53 C ATOM 735 C LYS B 166 -5.941 -9.474 4.499 1.00 61.12 C ATOM 736 O LYS B 166 -5.497 -10.300 3.708 1.00 13.14 O ATOM 737 CB LYS B 166 -4.900 -9.279 6.766 1.00 64.02 C ATOM 738 CG LYS B 166 -3.978 -8.569 7.772 1.00 21.20 C ATOM 739 CD LYS B 166 -4.615 -7.331 8.411 1.00 51.32 C ATOM 740 CE LYS B 166 -3.878 -6.942 9.683 1.00 50.03 C ATOM 741 NZ LYS B 166 -3.924 -7.999 10.711 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.922 -7.020 6.313 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.013 -8.630 4.937 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.899 -9.332 7.198 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.550 -10.304 6.647 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -3.700 -9.272 8.557 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.058 -8.275 7.266 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.595 -6.501 7.705 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.662 -7.531 8.638 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -2.838 -6.719 9.443 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.315 -6.028 10.087 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -3.840 -7.570 11.654 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -4.827 -8.511 10.643 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.138 -8.663 10.562 1.00 65.44 H new ATOM 755 N GLU B 167 -7.221 -9.197 4.617 1.00 75.44 N ATOM 756 CA GLU B 167 -8.232 -9.858 3.910 1.00 33.13 C ATOM 757 C GLU B 167 -8.414 -9.201 2.528 1.00 4.33 C ATOM 758 O GLU B 167 -8.840 -9.843 1.556 1.00 61.22 O ATOM 759 CB GLU B 167 -9.475 -9.781 4.786 1.00 35.41 C ATOM 760 CG GLU B 167 -10.721 -10.145 4.108 1.00 14.32 C ATOM 761 CD GLU B 167 -11.859 -10.372 5.061 1.00 71.10 C ATOM 762 OE1 GLU B 167 -12.449 -9.394 5.560 1.00 34.35 O ATOM 763 OE2 GLU B 167 -12.192 -11.542 5.331 1.00 51.30 O1- ATOM 0 H GLU B 167 -7.573 -8.471 5.241 1.00 75.44 H new ATOM 0 HA GLU B 167 -7.998 -10.903 3.708 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.339 -10.437 5.646 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.570 -8.766 5.172 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.992 -9.355 3.408 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -10.559 -11.049 3.521 1.00 14.32 H new ATOM 770 N ALA B 168 -8.058 -7.931 2.464 1.00 51.34 N ATOM 771 CA ALA B 168 -8.082 -7.149 1.244 1.00 12.43 C ATOM 772 C ALA B 168 -6.941 -7.573 0.323 1.00 34.44 C ATOM 773 O ALA B 168 -7.036 -7.444 -0.891 1.00 25.22 O ATOM 774 CB ALA B 168 -7.959 -5.675 1.585 1.00 40.11 C ATOM 0 H ALA B 168 -7.738 -7.404 3.277 1.00 51.34 H new ATOM 0 HA ALA B 168 -9.026 -7.321 0.727 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.977 -5.087 0.668 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.792 -5.378 2.223 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -7.020 -5.500 2.110 1.00 40.11 H new ATOM 780 N GLY B 169 -5.864 -8.054 0.910 1.00 34.33 N ATOM 781 CA GLY B 169 -4.763 -8.559 0.124 1.00 34.02 C ATOM 782 C GLY B 169 -3.567 -7.632 0.069 1.00 4.54 C ATOM 783 O GLY B 169 -2.949 -7.452 -0.992 1.00 31.44 O ATOM 0 H GLY B 169 -5.730 -8.105 1.920 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.447 -9.518 0.534 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.111 -8.746 -0.892 1.00 34.02 H new ATOM 787 N ALA B 170 -3.226 -7.048 1.205 1.00 35.41 N ATOM 788 CA ALA B 170 -2.091 -6.137 1.303 1.00 34.41 C ATOM 789 C ALA B 170 -0.777 -6.839 1.067 1.00 73.04 C ATOM 790 O ALA B 170 0.126 -6.256 0.529 1.00 1.24 O ATOM 791 CB ALA B 170 -2.088 -5.416 2.636 1.00 13.24 C ATOM 0 H ALA B 170 -3.724 -7.189 2.084 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.206 -5.396 0.512 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.232 -4.743 2.684 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.008 -4.841 2.741 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.022 -6.145 3.444 1.00 13.24 H new ATOM 797 N LEU B 171 -0.705 -8.108 1.419 1.00 61.22 N ATOM 798 CA LEU B 171 0.520 -8.898 1.261 1.00 71.22 C ATOM 799 C LEU B 171 0.907 -9.004 -0.208 1.00 54.15 C ATOM 800 O LEU B 171 2.074 -8.812 -0.571 1.00 23.24 O ATOM 801 CB LEU B 171 0.322 -10.281 1.858 1.00 35.44 C ATOM 802 CG LEU B 171 0.000 -10.315 3.351 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.304 -11.725 3.781 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.160 -9.758 4.165 1.00 11.20 C ATOM 0 H LEU B 171 -1.485 -8.627 1.822 1.00 61.22 H new ATOM 0 HA LEU B 171 1.330 -8.396 1.789 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.485 -10.778 1.319 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.227 -10.864 1.686 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.876 -9.691 3.529 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.532 -11.739 4.847 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -1.161 -12.099 3.221 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.561 -12.359 3.587 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.910 -9.791 5.225 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.052 -10.357 3.984 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.350 -8.726 3.869 1.00 11.20 H new ATOM 816 N GLU B 172 -0.074 -9.277 -1.041 1.00 61.41 N ATOM 817 CA GLU B 172 0.120 -9.351 -2.473 1.00 12.34 C ATOM 818 C GLU B 172 0.467 -7.979 -3.017 1.00 12.03 C ATOM 819 O GLU B 172 1.357 -7.833 -3.853 1.00 11.21 O ATOM 820 CB GLU B 172 -1.146 -9.844 -3.118 1.00 22.42 C ATOM 821 CG GLU B 172 -1.085 -9.955 -4.614 1.00 4.33 C ATOM 822 CD GLU B 172 -2.375 -10.441 -5.154 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.562 -11.667 -5.216 1.00 61.51 O ATOM 824 OE2 GLU B 172 -3.241 -9.611 -5.480 1.00 71.05 O1- ATOM 0 H GLU B 172 -1.033 -9.455 -0.743 1.00 61.41 H new ATOM 0 HA GLU B 172 0.937 -10.038 -2.694 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.392 -10.822 -2.704 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -1.960 -9.171 -2.850 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -0.847 -8.983 -5.047 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -0.285 -10.637 -4.901 1.00 4.33 H new ATOM 831 N LYS B 173 -0.240 -6.977 -2.521 1.00 75.52 N ATOM 832 CA LYS B 173 -0.012 -5.603 -2.918 1.00 52.14 C ATOM 833 C LYS B 173 1.424 -5.187 -2.599 1.00 13.42 C ATOM 834 O LYS B 173 2.098 -4.562 -3.422 1.00 22.05 O ATOM 835 CB LYS B 173 -1.014 -4.676 -2.228 1.00 52.11 C ATOM 836 CG LYS B 173 -2.233 -4.208 -3.052 1.00 23.24 C ATOM 837 CD LYS B 173 -3.332 -5.249 -3.317 1.00 32.34 C ATOM 838 CE LYS B 173 -2.912 -6.428 -4.159 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.059 -7.301 -4.497 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.985 -7.095 -1.834 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.158 -5.522 -3.995 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.384 -5.184 -1.337 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.476 -3.790 -1.890 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.685 -3.360 -2.538 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -1.873 -3.842 -4.014 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.698 -5.619 -2.359 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -4.169 -4.753 -3.808 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -2.445 -6.071 -5.077 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -2.160 -7.007 -3.623 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.770 -7.988 -5.222 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.373 -7.808 -3.645 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.841 -6.721 -4.862 1.00 43.00 H new ATOM 853 N LEU B 174 1.878 -5.582 -1.420 1.00 32.33 N ATOM 854 CA LEU B 174 3.218 -5.377 -0.966 1.00 44.15 C ATOM 855 C LEU B 174 4.205 -6.011 -1.919 1.00 4.04 C ATOM 856 O LEU B 174 5.083 -5.338 -2.420 1.00 43.44 O ATOM 857 CB LEU B 174 3.362 -5.970 0.434 1.00 22.15 C ATOM 858 CG LEU B 174 2.767 -5.172 1.588 1.00 32.13 C ATOM 859 CD1 LEU B 174 2.962 -5.913 2.895 1.00 13.11 C ATOM 860 CD2 LEU B 174 3.397 -3.793 1.662 1.00 43.15 C ATOM 0 H LEU B 174 1.294 -6.069 -0.740 1.00 32.33 H new ATOM 0 HA LEU B 174 3.431 -4.309 -0.931 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.901 -6.958 0.432 1.00 22.15 H new ATOM 0 HB3 LEU B 174 4.424 -6.114 0.633 1.00 22.15 H new ATOM 0 HG LEU B 174 1.698 -5.053 1.412 1.00 32.13 H new ATOM 0 HD11 LEU B 174 2.532 -5.331 3.711 1.00 13.11 H new ATOM 0 HD12 LEU B 174 2.467 -6.883 2.841 1.00 13.11 H new ATOM 0 HD13 LEU B 174 4.027 -6.059 3.075 1.00 13.11 H new ATOM 0 HD21 LEU B 174 2.960 -3.237 2.492 1.00 43.15 H new ATOM 0 HD22 LEU B 174 4.471 -3.892 1.817 1.00 43.15 H new ATOM 0 HD23 LEU B 174 3.213 -3.258 0.730 1.00 43.15 H new ATOM 872 N GLU B 175 4.003 -7.295 -2.200 1.00 64.22 N ATOM 873 CA GLU B 175 4.831 -8.079 -3.084 1.00 34.22 C ATOM 874 C GLU B 175 5.055 -7.365 -4.430 1.00 30.54 C ATOM 875 O GLU B 175 6.150 -7.403 -5.000 1.00 40.22 O ATOM 876 CB GLU B 175 4.115 -9.377 -3.341 1.00 31.20 C ATOM 877 CG GLU B 175 4.993 -10.442 -3.870 1.00 63.55 C ATOM 878 CD GLU B 175 4.232 -11.663 -4.271 1.00 72.13 C ATOM 879 OE1 GLU B 175 3.912 -12.489 -3.405 1.00 5.21 O ATOM 880 OE2 GLU B 175 3.932 -11.815 -5.470 1.00 12.05 O1- ATOM 0 H GLU B 175 3.230 -7.828 -1.801 1.00 64.22 H new ATOM 0 HA GLU B 175 5.804 -8.234 -2.619 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.659 -9.721 -2.413 1.00 31.20 H new ATOM 0 HB3 GLU B 175 3.304 -9.201 -4.048 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.543 -10.061 -4.731 1.00 63.55 H new ATOM 0 HG3 GLU B 175 5.731 -10.710 -3.114 1.00 63.55 H new ATOM 887 N GLN B 176 4.008 -6.732 -4.926 1.00 53.05 N ATOM 888 CA GLN B 176 4.062 -6.018 -6.178 1.00 51.12 C ATOM 889 C GLN B 176 4.865 -4.734 -6.030 1.00 15.23 C ATOM 890 O GLN B 176 5.871 -4.525 -6.710 1.00 25.45 O ATOM 891 CB GLN B 176 2.658 -5.650 -6.618 1.00 22.05 C ATOM 892 CG GLN B 176 1.691 -6.805 -6.759 1.00 3.54 C ATOM 893 CD GLN B 176 2.145 -7.857 -7.737 1.00 35.11 C ATOM 894 OE1 GLN B 176 1.871 -7.767 -8.932 1.00 25.33 O ATOM 895 NE2 GLN B 176 2.790 -8.879 -7.248 1.00 12.14 N ATOM 0 H GLN B 176 3.097 -6.701 -4.468 1.00 53.05 H new ATOM 0 HA GLN B 176 4.538 -6.664 -6.916 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.246 -4.941 -5.900 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.721 -5.134 -7.576 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.546 -7.267 -5.783 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.722 -6.420 -7.077 1.00 3.54 H new ATOM 0 HE21 GLN B 176 3.000 -8.920 -6.251 1.00 12.14 H new ATOM 0 HE22 GLN B 176 3.085 -9.638 -7.863 1.00 12.14 H new ATOM 904 N LEU B 177 4.432 -3.905 -5.097 1.00 55.23 N ATOM 905 CA LEU B 177 4.999 -2.575 -4.879 1.00 50.03 C ATOM 906 C LEU B 177 6.412 -2.612 -4.353 1.00 2.24 C ATOM 907 O LEU B 177 7.149 -1.639 -4.439 1.00 11.31 O ATOM 908 CB LEU B 177 4.107 -1.779 -3.964 1.00 4.33 C ATOM 909 CG LEU B 177 4.495 -0.341 -3.744 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.412 0.409 -5.064 1.00 11.02 C ATOM 911 CD2 LEU B 177 3.611 0.294 -2.696 1.00 54.44 C ATOM 0 H LEU B 177 3.669 -4.133 -4.460 1.00 55.23 H new ATOM 0 HA LEU B 177 5.051 -2.086 -5.852 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.094 -1.803 -4.366 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.077 -2.278 -2.995 1.00 4.33 H new ATOM 0 HG LEU B 177 5.520 -0.293 -3.378 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.692 1.451 -4.909 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.092 -0.046 -5.784 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.392 0.361 -5.446 1.00 11.02 H new ATOM 0 HD21 LEU B 177 3.907 1.333 -2.551 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.572 0.255 -3.024 1.00 54.44 H new ATOM 0 HD23 LEU B 177 3.715 -0.247 -1.756 1.00 54.44 H new ATOM 923 N GLN B 178 6.784 -3.704 -3.796 1.00 31.43 N ATOM 924 CA GLN B 178 8.166 -3.922 -3.371 1.00 34.22 C ATOM 925 C GLN B 178 9.159 -3.862 -4.534 1.00 43.53 C ATOM 926 O GLN B 178 10.342 -3.619 -4.328 1.00 33.40 O ATOM 927 CB GLN B 178 8.319 -5.201 -2.574 1.00 22.20 C ATOM 928 CG GLN B 178 7.834 -5.067 -1.146 1.00 63.12 C ATOM 929 CD GLN B 178 8.614 -4.010 -0.388 1.00 52.34 C ATOM 930 OE1 GLN B 178 8.246 -2.829 -0.379 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.688 -4.406 0.235 1.00 12.22 N ATOM 0 H GLN B 178 6.159 -4.488 -3.610 1.00 31.43 H new ATOM 0 HA GLN B 178 8.413 -3.093 -2.708 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.764 -5.999 -3.067 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.368 -5.497 -2.570 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.775 -4.810 -1.144 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.930 -6.026 -0.637 1.00 63.12 H new ATOM 0 HE21 GLN B 178 9.961 -5.388 0.206 1.00 12.22 H new ATOM 0 HE22 GLN B 178 10.255 -3.734 0.752 1.00 12.22 H new ATOM 940 N SER B 179 8.657 -4.007 -5.745 1.00 11.02 N ATOM 941 CA SER B 179 9.465 -3.918 -6.948 1.00 25.41 C ATOM 942 C SER B 179 9.592 -2.436 -7.412 1.00 10.24 C ATOM 943 O SER B 179 9.890 -2.145 -8.566 1.00 40.01 O ATOM 944 CB SER B 179 8.810 -4.777 -8.024 1.00 32.12 C ATOM 945 OG SER B 179 8.582 -6.101 -7.527 1.00 64.32 O ATOM 0 H SER B 179 7.670 -4.191 -5.924 1.00 11.02 H new ATOM 0 HA SER B 179 10.474 -4.282 -6.753 1.00 25.41 H new ATOM 0 HB2 SER B 179 7.866 -4.329 -8.333 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.448 -4.817 -8.907 1.00 32.12 H new ATOM 0 HG SER B 179 8.160 -6.644 -8.225 1.00 64.32 H new ATOM 951 N HIS B 180 9.372 -1.528 -6.477 1.00 24.01 N ATOM 952 CA HIS B 180 9.458 -0.079 -6.703 1.00 14.12 C ATOM 953 C HIS B 180 10.887 0.364 -7.029 1.00 13.51 C ATOM 954 O HIS B 180 11.858 -0.272 -6.616 1.00 60.24 O ATOM 955 CB HIS B 180 8.938 0.702 -5.457 1.00 1.42 C ATOM 956 CG HIS B 180 9.684 0.420 -4.161 1.00 74.51 C ATOM 957 ND1 HIS B 180 9.206 -0.436 -3.196 1.00 63.40 N ATOM 958 CD2 HIS B 180 10.866 0.877 -3.691 1.00 44.44 C ATOM 959 CE1 HIS B 180 10.061 -0.496 -2.196 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.074 0.291 -2.473 1.00 34.33 N ATOM 0 H HIS B 180 9.123 -1.773 -5.518 1.00 24.01 H new ATOM 0 HA HIS B 180 8.829 0.149 -7.563 1.00 14.12 H new ATOM 0 HB2 HIS B 180 8.996 1.770 -5.667 1.00 1.42 H new ATOM 0 HB3 HIS B 180 7.885 0.463 -5.311 1.00 1.42 H new ATOM 0 HD1 HIS B 180 8.324 -0.946 -3.247 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.524 1.576 -4.186 1.00 44.44 H new ATOM 0 HE1 HIS B 180 9.948 -1.091 -1.302 1.00 71.54 H new ATOM 969 N GLU B 181 10.990 1.443 -7.740 1.00 2.23 N ATOM 970 CA GLU B 181 12.253 2.062 -8.066 1.00 3.54 C ATOM 971 C GLU B 181 12.380 3.337 -7.244 1.00 21.45 C ATOM 972 O GLU B 181 13.474 3.827 -6.985 1.00 41.00 O ATOM 973 CB GLU B 181 12.317 2.421 -9.554 1.00 22.41 C ATOM 974 CG GLU B 181 12.193 1.241 -10.500 1.00 21.45 C ATOM 975 CD GLU B 181 12.303 1.658 -11.944 1.00 4.11 C ATOM 976 OE1 GLU B 181 13.444 1.844 -12.438 1.00 21.44 O ATOM 977 OE2 GLU B 181 11.261 1.799 -12.636 1.00 34.25 O1- ATOM 0 H GLU B 181 10.183 1.936 -8.123 1.00 2.23 H new ATOM 0 HA GLU B 181 13.063 1.367 -7.844 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.521 3.132 -9.776 1.00 22.41 H new ATOM 0 HB3 GLU B 181 13.262 2.928 -9.750 1.00 22.41 H new ATOM 0 HG2 GLU B 181 12.971 0.512 -10.273 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.235 0.746 -10.338 1.00 21.45 H new ATOM 984 N ASN B 182 11.239 3.867 -6.855 1.00 1.10 N ATOM 985 CA ASN B 182 11.148 5.101 -6.078 1.00 51.53 C ATOM 986 C ASN B 182 11.381 4.852 -4.622 1.00 31.02 C ATOM 987 O ASN B 182 10.803 3.950 -4.002 1.00 72.11 O ATOM 988 CB ASN B 182 9.810 5.781 -6.324 1.00 70.24 C ATOM 989 CG ASN B 182 9.646 7.091 -5.599 1.00 71.13 C ATOM 990 OD1 ASN B 182 9.258 7.118 -4.447 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.887 8.169 -6.268 1.00 41.44 N ATOM 0 H ASN B 182 10.332 3.452 -7.069 1.00 1.10 H new ATOM 0 HA ASN B 182 11.938 5.774 -6.412 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.693 5.953 -7.394 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.010 5.106 -6.020 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.753 9.081 -5.831 1.00 41.44 H new ATOM 0 HD22 ASN B 182 10.212 8.108 -7.233 1.00 41.44 H new ATOM 998 N GLU B 183 12.185 5.713 -4.091 1.00 21.41 N ATOM 999 CA GLU B 183 12.703 5.620 -2.778 1.00 75.53 C ATOM 1000 C GLU B 183 11.654 5.987 -1.704 1.00 53.13 C ATOM 1001 O GLU B 183 11.661 5.446 -0.594 1.00 62.23 O ATOM 1002 CB GLU B 183 13.901 6.540 -2.716 1.00 4.41 C ATOM 1003 CG GLU B 183 13.595 7.971 -2.292 1.00 71.12 C ATOM 1004 CD GLU B 183 14.809 8.846 -2.221 1.00 70.35 C ATOM 1005 OE1 GLU B 183 15.440 8.908 -1.142 1.00 74.32 O ATOM 1006 OE2 GLU B 183 15.150 9.492 -3.233 1.00 10.34 O1- ATOM 0 H GLU B 183 12.511 6.540 -4.592 1.00 21.41 H new ATOM 0 HA GLU B 183 12.988 4.591 -2.561 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.627 6.119 -2.021 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.374 6.562 -3.698 1.00 4.41 H new ATOM 0 HG2 GLU B 183 12.884 8.406 -2.995 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.110 7.956 -1.316 1.00 71.12 H new ATOM 1013 N LYS B 184 10.742 6.877 -2.053 1.00 31.52 N ATOM 1014 CA LYS B 184 9.724 7.359 -1.136 1.00 55.01 C ATOM 1015 C LYS B 184 8.697 6.283 -0.941 1.00 72.22 C ATOM 1016 O LYS B 184 8.136 6.096 0.152 1.00 13.24 O ATOM 1017 CB LYS B 184 9.044 8.581 -1.724 1.00 13.15 C ATOM 1018 CG LYS B 184 9.944 9.769 -1.955 1.00 23.11 C ATOM 1019 CD LYS B 184 9.189 10.820 -2.724 1.00 51.20 C ATOM 1020 CE LYS B 184 10.003 12.065 -2.961 1.00 41.21 C ATOM 1021 NZ LYS B 184 9.262 13.013 -3.807 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.686 7.288 -2.985 1.00 31.52 H new ATOM 0 HA LYS B 184 10.187 7.620 -0.184 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.588 8.301 -2.674 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.235 8.882 -1.058 1.00 13.15 H new ATOM 0 HG2 LYS B 184 10.284 10.173 -1.002 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.833 9.465 -2.508 1.00 23.11 H new ATOM 0 HD2 LYS B 184 8.876 10.408 -3.683 1.00 51.20 H new ATOM 0 HD3 LYS B 184 8.282 11.082 -2.179 1.00 51.20 H new ATOM 0 HE2 LYS B 184 10.247 12.534 -2.008 1.00 41.21 H new ATOM 0 HE3 LYS B 184 10.947 11.804 -3.439 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 9.838 13.865 -3.960 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 9.051 12.569 -4.723 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 8.373 13.276 -3.337 1.00 13.42 H new ATOM 1035 N ILE B 185 8.493 5.541 -2.002 1.00 60.21 N ATOM 1036 CA ILE B 185 7.545 4.479 -2.042 1.00 75.21 C ATOM 1037 C ILE B 185 7.932 3.339 -1.105 1.00 0.43 C ATOM 1038 O ILE B 185 7.080 2.596 -0.658 1.00 60.43 O ATOM 1039 CB ILE B 185 7.340 4.006 -3.494 1.00 72.20 C ATOM 1040 CG1 ILE B 185 6.698 5.159 -4.261 1.00 53.13 C ATOM 1041 CG2 ILE B 185 6.502 2.727 -3.585 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.348 4.855 -5.668 1.00 52.31 C ATOM 0 H ILE B 185 8.999 5.670 -2.878 1.00 60.21 H new ATOM 0 HA ILE B 185 6.589 4.854 -1.677 1.00 75.21 H new ATOM 0 HB ILE B 185 8.303 3.744 -3.933 1.00 72.20 H new ATOM 0 HG12 ILE B 185 5.794 5.467 -3.736 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.380 6.009 -4.247 1.00 53.13 H new ATOM 0 HG21 ILE B 185 6.389 2.439 -4.630 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.001 1.926 -3.040 1.00 64.03 H new ATOM 0 HG23 ILE B 185 5.519 2.905 -3.150 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.898 5.734 -6.129 1.00 52.31 H new ATOM 0 HD12 ILE B 185 7.249 4.579 -6.216 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.639 4.028 -5.696 1.00 52.31 H new ATOM 1054 N GLN B 186 9.213 3.248 -0.762 1.00 51.04 N ATOM 1055 CA GLN B 186 9.690 2.276 0.154 1.00 13.34 C ATOM 1056 C GLN B 186 9.011 2.479 1.495 1.00 43.21 C ATOM 1057 O GLN B 186 8.368 1.575 2.020 1.00 14.42 O ATOM 1058 CB GLN B 186 11.182 2.455 0.301 1.00 3.31 C ATOM 1059 CG GLN B 186 11.751 1.662 1.413 1.00 30.13 C ATOM 1060 CD GLN B 186 13.221 1.906 1.632 1.00 33.34 C ATOM 1061 OE1 GLN B 186 14.067 1.231 1.055 1.00 41.14 O ATOM 1062 NE2 GLN B 186 13.540 2.855 2.470 1.00 12.44 N ATOM 0 H GLN B 186 9.939 3.864 -1.128 1.00 51.04 H new ATOM 0 HA GLN B 186 9.471 1.271 -0.206 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.671 2.168 -0.630 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.402 3.510 0.464 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.211 1.897 2.330 1.00 30.13 H new ATOM 0 HG3 GLN B 186 11.592 0.603 1.212 1.00 30.13 H new ATOM 0 HE21 GLN B 186 12.808 3.396 2.931 1.00 12.44 H new ATOM 0 HE22 GLN B 186 14.521 3.056 2.664 1.00 12.44 H new ATOM 1071 N LYS B 187 9.109 3.701 1.983 1.00 22.52 N ATOM 1072 CA LYS B 187 8.551 4.099 3.261 1.00 74.33 C ATOM 1073 C LYS B 187 7.031 3.936 3.261 1.00 72.42 C ATOM 1074 O LYS B 187 6.443 3.464 4.223 1.00 44.24 O ATOM 1075 CB LYS B 187 8.928 5.544 3.541 1.00 51.52 C ATOM 1076 CG LYS B 187 8.585 6.011 4.945 1.00 61.53 C ATOM 1077 CD LYS B 187 8.961 7.461 5.144 1.00 22.21 C ATOM 1078 CE LYS B 187 10.480 7.708 5.085 1.00 31.44 C ATOM 1079 NZ LYS B 187 11.214 7.034 6.177 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.587 4.458 1.494 1.00 22.52 H new ATOM 0 HA LYS B 187 8.957 3.459 4.044 1.00 74.33 H new ATOM 0 HB2 LYS B 187 9.999 5.667 3.380 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.421 6.187 2.821 1.00 51.52 H new ATOM 0 HG2 LYS B 187 7.518 5.881 5.124 1.00 61.53 H new ATOM 0 HG3 LYS B 187 9.108 5.393 5.675 1.00 61.53 H new ATOM 0 HD2 LYS B 187 8.471 8.065 4.380 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.582 7.799 6.108 1.00 22.21 H new ATOM 0 HE2 LYS B 187 10.863 7.358 4.126 1.00 31.44 H new ATOM 0 HE3 LYS B 187 10.671 8.780 5.133 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 12.211 7.329 6.159 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 10.792 7.295 7.091 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 11.156 6.003 6.050 1.00 31.33 H new ATOM 1093 N GLU B 188 6.415 4.281 2.155 1.00 1.40 N ATOM 1094 CA GLU B 188 4.970 4.186 2.025 1.00 41.11 C ATOM 1095 C GLU B 188 4.498 2.737 1.862 1.00 55.30 C ATOM 1096 O GLU B 188 3.360 2.420 2.167 1.00 1.32 O ATOM 1097 CB GLU B 188 4.481 5.065 0.887 1.00 0.21 C ATOM 1098 CG GLU B 188 4.757 6.544 1.111 1.00 71.14 C ATOM 1099 CD GLU B 188 3.967 7.139 2.267 1.00 11.41 C ATOM 1100 OE1 GLU B 188 4.259 6.834 3.454 1.00 31.44 O ATOM 1101 OE2 GLU B 188 3.076 7.972 2.008 1.00 62.41 O1- ATOM 0 H GLU B 188 6.891 4.633 1.324 1.00 1.40 H new ATOM 0 HA GLU B 188 4.529 4.551 2.953 1.00 41.11 H new ATOM 0 HB2 GLU B 188 4.960 4.749 -0.039 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.409 4.918 0.758 1.00 0.21 H new ATOM 0 HG2 GLU B 188 5.822 6.683 1.299 1.00 71.14 H new ATOM 0 HG3 GLU B 188 4.520 7.092 0.199 1.00 71.14 H new ATOM 1108 N ALA B 189 5.366 1.868 1.371 1.00 22.15 N ATOM 1109 CA ALA B 189 5.049 0.448 1.276 1.00 34.34 C ATOM 1110 C ALA B 189 5.186 -0.184 2.649 1.00 10.01 C ATOM 1111 O ALA B 189 4.436 -1.085 3.011 1.00 70.11 O ATOM 1112 CB ALA B 189 5.955 -0.252 0.271 1.00 52.44 C ATOM 0 H ALA B 189 6.295 2.118 1.032 1.00 22.15 H new ATOM 0 HA ALA B 189 4.024 0.337 0.924 1.00 34.34 H new ATOM 0 HB1 ALA B 189 5.695 -1.309 0.222 1.00 52.44 H new ATOM 0 HB2 ALA B 189 5.825 0.200 -0.712 1.00 52.44 H new ATOM 0 HB3 ALA B 189 6.994 -0.148 0.584 1.00 52.44 H new ATOM 1118 N GLN B 190 6.130 0.339 3.433 1.00 64.45 N ATOM 1119 CA GLN B 190 6.348 -0.116 4.795 1.00 73.23 C ATOM 1120 C GLN B 190 5.142 0.174 5.669 1.00 61.30 C ATOM 1121 O GLN B 190 4.952 -0.479 6.667 1.00 21.21 O ATOM 1122 CB GLN B 190 7.585 0.545 5.415 1.00 2.33 C ATOM 1123 CG GLN B 190 8.879 0.211 4.724 1.00 20.12 C ATOM 1124 CD GLN B 190 10.087 0.860 5.370 1.00 2.31 C ATOM 1125 OE1 GLN B 190 10.478 1.969 5.011 1.00 32.22 O ATOM 1126 NE2 GLN B 190 10.686 0.182 6.315 1.00 62.14 N ATOM 0 H GLN B 190 6.759 1.086 3.138 1.00 64.45 H new ATOM 0 HA GLN B 190 6.507 -1.193 4.746 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.449 1.626 5.403 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.657 0.245 6.460 1.00 2.33 H new ATOM 0 HG2 GLN B 190 9.014 -0.871 4.722 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.819 0.526 3.682 1.00 20.12 H new ATOM 0 HE21 GLN B 190 10.333 -0.736 6.586 1.00 62.14 H new ATOM 0 HE22 GLN B 190 11.506 0.571 6.780 1.00 62.14 H new ATOM 1135 N GLU B 191 4.322 1.131 5.251 1.00 20.43 N ATOM 1136 CA GLU B 191 3.168 1.579 6.017 1.00 21.04 C ATOM 1137 C GLU B 191 2.192 0.424 6.328 1.00 11.53 C ATOM 1138 O GLU B 191 2.021 0.058 7.485 1.00 43.14 O ATOM 1139 CB GLU B 191 2.445 2.683 5.245 1.00 13.23 C ATOM 1140 CG GLU B 191 1.353 3.376 6.027 1.00 73.14 C ATOM 1141 CD GLU B 191 1.904 4.072 7.230 1.00 25.30 C ATOM 1142 OE1 GLU B 191 2.590 5.094 7.066 1.00 14.54 O1- ATOM 1143 OE2 GLU B 191 1.691 3.606 8.369 1.00 63.00 O ATOM 0 H GLU B 191 4.441 1.621 4.364 1.00 20.43 H new ATOM 0 HA GLU B 191 3.527 1.963 6.972 1.00 21.04 H new ATOM 0 HB2 GLU B 191 3.176 3.426 4.927 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.012 2.255 4.341 1.00 13.23 H new ATOM 0 HG2 GLU B 191 0.847 4.098 5.387 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.606 2.646 6.337 1.00 73.14 H new ATOM 1150 N ALA B 192 1.625 -0.195 5.301 1.00 12.05 N ATOM 1151 CA ALA B 192 0.654 -1.278 5.508 1.00 52.44 C ATOM 1152 C ALA B 192 1.345 -2.516 6.005 1.00 63.31 C ATOM 1153 O ALA B 192 0.751 -3.291 6.734 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.132 -1.588 4.229 1.00 12.11 C ATOM 0 H ALA B 192 1.813 0.026 4.323 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.057 -0.940 6.262 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.840 -2.394 4.423 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.675 -0.698 3.911 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.558 -1.893 3.443 1.00 12.11 H new ATOM 1160 N LEU B 193 2.618 -2.657 5.636 1.00 21.32 N ATOM 1161 CA LEU B 193 3.462 -3.781 6.009 1.00 65.15 C ATOM 1162 C LEU B 193 3.451 -3.899 7.512 1.00 0.51 C ATOM 1163 O LEU B 193 2.989 -4.881 8.091 1.00 31.01 O ATOM 1164 CB LEU B 193 4.886 -3.443 5.519 1.00 24.10 C ATOM 1165 CG LEU B 193 5.967 -4.524 5.572 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.059 -4.201 4.563 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.580 -4.543 6.950 1.00 3.03 C ATOM 0 H LEU B 193 3.099 -1.972 5.054 1.00 21.32 H new ATOM 0 HA LEU B 193 3.118 -4.720 5.575 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.807 -3.108 4.485 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.241 -2.594 6.103 1.00 24.10 H new ATOM 0 HG LEU B 193 5.521 -5.492 5.342 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.829 -4.971 4.601 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.630 -4.166 3.562 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.501 -3.234 4.803 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.352 -5.312 6.994 1.00 3.03 H new ATOM 0 HD22 LEU B 193 7.024 -3.571 7.164 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.808 -4.760 7.689 1.00 3.03 H new ATOM 1179 N GLU B 194 3.919 -2.845 8.096 1.00 32.42 N ATOM 1180 CA GLU B 194 4.045 -2.617 9.430 1.00 1.13 C ATOM 1181 C GLU B 194 2.742 -2.812 10.170 1.00 25.31 C ATOM 1182 O GLU B 194 2.628 -3.620 11.104 1.00 45.10 O ATOM 1183 CB GLU B 194 4.417 -1.179 9.448 1.00 42.50 C ATOM 1184 CG GLU B 194 4.464 -0.642 10.773 1.00 61.52 C ATOM 1185 CD GLU B 194 5.056 0.737 10.854 1.00 43.35 C ATOM 1186 OE1 GLU B 194 6.288 0.874 10.996 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 4.300 1.727 10.774 1.00 73.13 O ATOM 0 H GLU B 194 4.251 -2.051 7.549 1.00 32.42 H new ATOM 0 HA GLU B 194 4.753 -3.291 9.912 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.390 -1.053 8.974 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.698 -0.613 8.856 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.453 -0.616 11.180 1.00 61.52 H new ATOM 0 HG3 GLU B 194 5.045 -1.313 11.405 1.00 61.52 H new ATOM 1194 N LYS B 195 1.801 -2.050 9.747 1.00 35.45 N ATOM 1195 CA LYS B 195 0.534 -1.976 10.317 1.00 0.22 C ATOM 1196 C LYS B 195 -0.239 -3.303 10.311 1.00 34.32 C ATOM 1197 O LYS B 195 -0.932 -3.607 11.289 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.246 -0.865 9.652 1.00 52.22 C ATOM 1199 CG LYS B 195 0.280 0.557 9.882 1.00 23.11 C ATOM 1200 CD LYS B 195 0.408 0.884 11.359 1.00 42.32 C ATOM 1201 CE LYS B 195 0.735 2.356 11.600 1.00 61.10 C ATOM 1202 NZ LYS B 195 1.933 2.813 10.877 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.916 -1.430 8.945 1.00 35.45 H new ATOM 0 HA LYS B 195 0.669 -1.750 11.375 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.266 -1.054 8.579 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.277 -0.911 10.003 1.00 52.22 H new ATOM 0 HG2 LYS B 195 1.252 0.666 9.401 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -0.392 1.273 9.409 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -0.523 0.633 11.867 1.00 42.32 H new ATOM 0 HD3 LYS B 195 1.188 0.264 11.800 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -0.117 2.964 11.298 1.00 61.10 H new ATOM 0 HE3 LYS B 195 0.880 2.519 12.668 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 2.278 3.698 11.301 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 2.675 2.087 10.940 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 1.694 2.978 9.878 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.136 -4.104 9.245 1.00 42.45 N ATOM 1217 CA LEU B 196 -0.839 -5.316 9.199 1.00 65.11 C ATOM 1218 C LEU B 196 -0.197 -6.351 10.079 1.00 32.01 C ATOM 1219 O LEU B 196 -0.902 -7.182 10.659 1.00 22.43 O ATOM 1220 CB LEU B 196 -0.961 -5.826 7.765 1.00 75.42 C ATOM 1221 CG LEU B 196 0.254 -6.481 7.079 1.00 24.30 C ATOM 1222 CD1 LEU B 196 0.268 -7.991 7.326 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.255 -6.174 5.595 1.00 63.35 C ATOM 0 H LEU B 196 0.434 -3.904 8.423 1.00 42.45 H new ATOM 0 HA LEU B 196 -1.843 -5.129 9.579 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.775 -6.551 7.746 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.269 -4.984 7.145 1.00 75.42 H new ATOM 0 HG LEU B 196 1.162 -6.062 7.514 1.00 24.30 H new ATOM 0 HD11 LEU B 196 1.134 -8.432 6.833 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.323 -8.184 8.397 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.643 -8.434 6.924 1.00 63.01 H new ATOM 0 HD21 LEU B 196 1.120 -6.644 5.127 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.658 -6.561 5.143 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.304 -5.095 5.447 1.00 63.35 H new ATOM 1235 N GLN B 197 1.133 -6.315 10.166 1.00 54.12 N ATOM 1236 CA GLN B 197 1.848 -7.294 10.938 1.00 1.52 C ATOM 1237 C GLN B 197 1.411 -7.263 12.390 1.00 14.31 C ATOM 1238 O GLN B 197 1.537 -6.234 13.071 1.00 23.34 O ATOM 1239 CB GLN B 197 3.361 -7.161 10.843 1.00 12.04 C ATOM 1240 CG GLN B 197 3.949 -7.463 9.484 1.00 14.33 C ATOM 1241 CD GLN B 197 5.456 -7.548 9.536 1.00 33.32 C ATOM 1242 OE1 GLN B 197 6.167 -6.552 9.378 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.965 -8.734 9.749 1.00 34.25 N ATOM 0 H GLN B 197 1.721 -5.618 9.710 1.00 54.12 H new ATOM 0 HA GLN B 197 1.593 -8.259 10.500 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.639 -6.145 11.124 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.815 -7.829 11.574 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.544 -8.404 9.113 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.652 -6.687 8.778 1.00 14.33 H new ATOM 0 HE21 GLN B 197 5.350 -9.538 9.876 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.977 -8.855 9.788 1.00 34.25 H new ATOM 1252 N SER B 198 0.851 -8.359 12.833 1.00 33.54 N ATOM 1253 CA SER B 198 0.351 -8.482 14.173 1.00 12.43 C ATOM 1254 C SER B 198 1.495 -8.404 15.182 1.00 1.54 C ATOM 1255 O SER B 198 2.553 -9.049 15.008 1.00 24.20 O ATOM 1256 CB SER B 198 -0.433 -9.791 14.319 1.00 25.00 C ATOM 1257 OG SER B 198 -1.073 -9.890 15.582 1.00 4.45 O ATOM 0 H SER B 198 0.729 -9.198 12.266 1.00 33.54 H new ATOM 0 HA SER B 198 -0.326 -7.653 14.378 1.00 12.43 H new ATOM 0 HB2 SER B 198 -1.180 -9.856 13.528 1.00 25.00 H new ATOM 0 HB3 SER B 198 0.244 -10.635 14.188 1.00 25.00 H new ATOM 0 HG SER B 198 -1.563 -10.737 15.635 1.00 4.45 H new ATOM 1263 N HIS B 199 1.296 -7.607 16.201 1.00 64.41 N ATOM 1264 CA HIS B 199 2.259 -7.423 17.245 1.00 72.30 C ATOM 1265 C HIS B 199 1.494 -7.139 18.516 1.00 63.44 C ATOM 1266 O HIS B 199 1.178 -5.974 18.784 1.00 64.51 O ATOM 1267 CB HIS B 199 3.228 -6.266 16.912 1.00 55.12 C ATOM 1268 CG HIS B 199 4.383 -6.133 17.876 1.00 44.44 C ATOM 1269 ND1 HIS B 199 4.737 -4.956 18.486 1.00 1.01 N ATOM 1270 CD2 HIS B 199 5.297 -7.042 18.283 1.00 11.40 C ATOM 1271 CE1 HIS B 199 5.814 -5.150 19.217 1.00 1.32 C ATOM 1272 NE2 HIS B 199 6.170 -6.402 19.109 1.00 12.31 N ATOM 0 H HIS B 199 0.444 -7.060 16.326 1.00 64.41 H new ATOM 0 HA HIS B 199 2.870 -8.318 17.359 1.00 72.30 H new ATOM 0 HB2 HIS B 199 3.623 -6.415 15.907 1.00 55.12 H new ATOM 0 HB3 HIS B 199 2.669 -5.330 16.900 1.00 55.12 H new ATOM 0 HD2 HIS B 199 5.329 -8.085 18.004 1.00 11.40 H new ATOM 0 HE1 HIS B 199 6.319 -4.400 19.807 1.00 1.32 H new ATOM 0 HE2 HIS B 199 6.973 -6.831 19.569 1.00 12.31 H new