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= 0.753 K(o=2,f=-8!) USER MOD Set 1.2: B 173 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0) USER MOD Single : B 137 SER OG : rot -33:sc= 0.807 USER MOD Single : B 138 SER OG : rot 100:sc= -2.88! USER MOD Single : B 140 ASN : amide:sc= -11.5! C(o=-11!,f=-20!) USER MOD Single : B 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 145 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.077) USER MOD Single : B 152 SER OG : rot 29:sc= 1.28 USER MOD Single : B 153 ASN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : B 156 SER OG : rot 66:sc= 0.796 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 161 GLN : amide:sc= -0.466 K(o=-0.47,f=-8.7!) USER MOD Single : B 162 LYS NZ :NH3+ 140:sc= 0.781 (180deg=-0.18) USER MOD Single : B 163 GLN : amide:sc= 0.736 K(o=0.74,f=-6!) USER MOD Single : B 166 LYS NZ :NH3+ -128:sc= -0.2 (180deg=-0.707) USER MOD Single : B 176 GLN : amide:sc= 0.184 X(o=0.18,f=-0.2) USER MOD Single : B 178 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.6) USER MOD Single : B 179 SER OG : rot 74:sc= 0.00725 USER MOD Single : B 180 HIS : no HE2:sc= 0.22 K(o=0.22,f=-5.1!) USER MOD Single : B 182 ASN : amide:sc= 0.531 K(o=0.53,f=-5.5!) USER MOD Single : B 184 LYS NZ :NH3+ 172:sc=-0.00435 (180deg=-0.0618) USER MOD Single : B 186 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.45) USER MOD Single : B 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 190 GLN :FLIP amide:sc= -0.0136 F(o=-1.1!,f=-0.014) USER MOD Single : B 195 LYS NZ :NH3+ 165:sc= 2.35 (180deg=2) USER MOD Single : B 197 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.81) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.318 -2.787 0.536 1.00 55.53 N ATOM 177 CA LEU B 129 -12.117 -3.150 1.295 1.00 45.21 C ATOM 178 C LEU B 129 -10.883 -3.366 0.379 1.00 33.52 C ATOM 179 O LEU B 129 -9.842 -2.775 0.626 1.00 22.43 O ATOM 180 CB LEU B 129 -12.335 -4.344 2.275 1.00 71.14 C ATOM 181 CG LEU B 129 -13.250 -4.116 3.511 1.00 72.10 C ATOM 182 CD1 LEU B 129 -12.788 -2.936 4.341 1.00 71.02 C ATOM 183 CD2 LEU B 129 -14.713 -3.962 3.133 1.00 45.41 C ATOM 0 HA LEU B 129 -11.902 -2.287 1.925 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.748 -5.175 1.703 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -11.357 -4.661 2.637 1.00 71.14 H new ATOM 0 HG LEU B 129 -13.165 -5.016 4.120 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -13.453 -2.809 5.195 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -11.773 -3.115 4.695 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -12.805 -2.033 3.731 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -15.307 -3.805 4.033 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -14.829 -3.106 2.468 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -15.055 -4.864 2.626 1.00 45.41 H new ATOM 195 N PRO B 130 -10.960 -4.204 -0.710 1.00 0.32 N ATOM 196 CA PRO B 130 -9.841 -4.351 -1.659 1.00 63.11 C ATOM 197 C PRO B 130 -9.460 -3.025 -2.304 1.00 21.50 C ATOM 198 O PRO B 130 -8.322 -2.803 -2.624 1.00 1.14 O ATOM 199 CB PRO B 130 -10.405 -5.276 -2.735 1.00 74.52 C ATOM 200 CG PRO B 130 -11.436 -6.064 -2.032 1.00 3.43 C ATOM 201 CD PRO B 130 -12.075 -5.099 -1.086 1.00 14.32 C ATOM 0 HA PRO B 130 -8.944 -4.723 -1.164 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.832 -4.710 -3.563 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.630 -5.918 -3.154 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.165 -6.474 -2.731 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.995 -6.907 -1.500 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.889 -4.550 -1.560 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.495 -5.606 -0.217 1.00 14.32 H new ATOM 209 N ALA B 131 -10.423 -2.131 -2.427 1.00 12.31 N ATOM 210 CA ALA B 131 -10.224 -0.858 -3.113 1.00 41.31 C ATOM 211 C ALA B 131 -9.161 -0.005 -2.454 1.00 3.12 C ATOM 212 O ALA B 131 -8.394 0.659 -3.140 1.00 52.45 O ATOM 213 CB ALA B 131 -11.524 -0.100 -3.224 1.00 12.14 C ATOM 0 H ALA B 131 -11.365 -2.261 -2.057 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.867 -1.092 -4.116 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.351 0.845 -3.739 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.244 -0.693 -3.787 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.917 0.097 -2.226 1.00 12.14 H new ATOM 219 N LEU B 132 -9.076 -0.068 -1.140 1.00 31.23 N ATOM 220 CA LEU B 132 -8.103 0.729 -0.422 1.00 71.30 C ATOM 221 C LEU B 132 -6.689 0.172 -0.670 1.00 32.55 C ATOM 222 O LEU B 132 -5.705 0.891 -0.640 1.00 34.51 O ATOM 223 CB LEU B 132 -8.487 0.816 1.104 1.00 34.00 C ATOM 224 CG LEU B 132 -8.372 -0.483 1.961 1.00 41.21 C ATOM 225 CD1 LEU B 132 -6.940 -0.777 2.412 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.301 -0.431 3.152 1.00 65.03 C ATOM 0 H LEU B 132 -9.664 -0.658 -0.552 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.106 1.753 -0.794 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.857 1.577 1.564 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.516 1.170 1.170 1.00 34.00 H new ATOM 0 HG LEU B 132 -8.674 -1.305 1.311 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -6.926 -1.692 3.004 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.301 -0.900 1.537 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.572 0.052 3.017 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.201 -1.348 3.732 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.043 0.424 3.777 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.330 -0.331 2.807 1.00 65.03 H new ATOM 238 N VAL B 133 -6.617 -1.128 -0.905 1.00 20.30 N ATOM 239 CA VAL B 133 -5.359 -1.803 -1.142 1.00 2.44 C ATOM 240 C VAL B 133 -4.920 -1.744 -2.586 1.00 41.43 C ATOM 241 O VAL B 133 -3.744 -1.890 -2.890 1.00 11.14 O ATOM 242 CB VAL B 133 -5.406 -3.259 -0.677 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.826 -4.244 -1.725 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.164 -3.648 0.009 1.00 60.04 C ATOM 0 H VAL B 133 -7.431 -1.742 -0.936 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.621 -1.262 -0.550 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.214 -3.300 0.053 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.829 -5.248 -1.300 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.827 -3.996 -2.077 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.128 -4.206 -2.561 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.234 -4.689 0.325 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.321 -3.531 -0.671 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -4.016 -3.013 0.882 1.00 60.04 H new ATOM 254 N GLN B 134 -5.877 -1.557 -3.457 1.00 51.03 N ATOM 255 CA GLN B 134 -5.673 -1.641 -4.909 1.00 1.43 C ATOM 256 C GLN B 134 -4.502 -0.807 -5.420 1.00 10.22 C ATOM 257 O GLN B 134 -3.740 -1.239 -6.294 1.00 3.33 O ATOM 258 CB GLN B 134 -6.941 -1.301 -5.703 1.00 62.21 C ATOM 259 CG GLN B 134 -8.024 -2.354 -5.638 1.00 72.32 C ATOM 260 CD GLN B 134 -7.576 -3.662 -6.237 1.00 12.24 C ATOM 261 OE1 GLN B 134 -7.035 -4.517 -5.550 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.785 -3.826 -7.513 1.00 42.35 N ATOM 0 H GLN B 134 -6.837 -1.339 -3.191 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.422 -2.688 -5.082 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.345 -0.359 -5.332 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.669 -1.142 -6.746 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.315 -2.512 -4.599 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.908 -1.998 -6.166 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.239 -3.090 -8.054 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.494 -4.690 -7.971 1.00 42.35 H new ATOM 271 N LEU B 135 -4.345 0.337 -4.839 1.00 31.00 N ATOM 272 CA LEU B 135 -3.317 1.284 -5.213 1.00 53.40 C ATOM 273 C LEU B 135 -1.935 0.857 -4.751 1.00 44.52 C ATOM 274 O LEU B 135 -0.969 1.354 -5.235 1.00 61.22 O ATOM 275 CB LEU B 135 -3.637 2.686 -4.687 1.00 12.34 C ATOM 276 CG LEU B 135 -4.161 2.750 -3.251 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.736 4.050 -2.595 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.695 2.656 -3.262 1.00 52.53 C ATOM 0 H LEU B 135 -4.936 0.657 -4.072 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.306 1.308 -6.303 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.735 3.294 -4.753 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.377 3.141 -5.345 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.746 1.917 -2.684 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.115 4.083 -1.574 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.648 4.111 -2.580 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.139 4.891 -3.159 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -6.070 2.701 -2.239 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.106 3.486 -3.836 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -5.999 1.714 -3.718 1.00 52.53 H new ATOM 290 N LEU B 136 -1.859 -0.098 -3.839 1.00 21.22 N ATOM 291 CA LEU B 136 -0.581 -0.569 -3.323 1.00 44.41 C ATOM 292 C LEU B 136 0.063 -1.486 -4.330 1.00 40.11 C ATOM 293 O LEU B 136 1.247 -1.741 -4.285 1.00 61.31 O ATOM 294 CB LEU B 136 -0.811 -1.359 -2.044 1.00 1.14 C ATOM 295 CG LEU B 136 -0.078 -0.890 -0.769 1.00 52.41 C ATOM 296 CD1 LEU B 136 1.435 -0.939 -0.943 1.00 41.23 C ATOM 297 CD2 LEU B 136 -0.532 0.509 -0.366 1.00 34.05 C ATOM 0 H LEU B 136 -2.672 -0.566 -3.438 1.00 21.22 H new ATOM 0 HA LEU B 136 0.061 0.290 -3.129 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.881 -1.356 -1.836 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.526 -2.394 -2.233 1.00 1.14 H new ATOM 0 HG LEU B 136 -0.340 -1.580 0.033 1.00 52.41 H new ATOM 0 HD11 LEU B 136 1.918 -0.602 -0.026 1.00 41.23 H new ATOM 0 HD12 LEU B 136 1.743 -1.962 -1.161 1.00 41.23 H new ATOM 0 HD13 LEU B 136 1.728 -0.289 -1.767 1.00 41.23 H new ATOM 0 HD21 LEU B 136 -0.002 0.818 0.535 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -0.315 1.209 -1.173 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -1.604 0.502 -0.171 1.00 34.05 H new ATOM 309 N SER B 137 -0.728 -1.977 -5.235 1.00 11.45 N ATOM 310 CA SER B 137 -0.247 -2.928 -6.171 1.00 2.00 C ATOM 311 C SER B 137 -0.114 -2.298 -7.563 1.00 23.45 C ATOM 312 O SER B 137 0.113 -3.006 -8.554 1.00 1.12 O ATOM 313 CB SER B 137 -1.187 -4.146 -6.189 1.00 70.13 C ATOM 314 OG SER B 137 -0.798 -5.139 -7.131 1.00 44.15 O ATOM 0 H SER B 137 -1.712 -1.729 -5.340 1.00 11.45 H new ATOM 0 HA SER B 137 0.747 -3.261 -5.872 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.216 -4.590 -5.194 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.199 -3.813 -6.419 1.00 70.13 H new ATOM 0 HG SER B 137 -0.385 -4.708 -7.909 1.00 44.15 H new ATOM 320 N SER B 138 -0.233 -0.983 -7.617 1.00 30.13 N ATOM 321 CA SER B 138 -0.201 -0.222 -8.831 1.00 70.24 C ATOM 322 C SER B 138 1.109 -0.443 -9.620 1.00 64.22 C ATOM 323 O SER B 138 2.168 -0.668 -9.023 1.00 31.04 O ATOM 324 CB SER B 138 -0.269 1.222 -8.399 1.00 65.30 C ATOM 325 OG SER B 138 0.824 1.513 -7.568 1.00 2.10 O ATOM 0 H SER B 138 -0.358 -0.407 -6.785 1.00 30.13 H new ATOM 0 HA SER B 138 -1.021 -0.519 -9.485 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.260 1.875 -9.272 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.203 1.411 -7.869 1.00 65.30 H new ATOM 0 HG SER B 138 1.517 1.971 -8.088 1.00 2.10 H new ATOM 331 N PRO B 139 1.056 -0.363 -10.965 1.00 3.54 N ATOM 332 CA PRO B 139 2.266 -0.391 -11.809 1.00 24.41 C ATOM 333 C PRO B 139 2.931 0.981 -11.721 1.00 3.55 C ATOM 334 O PRO B 139 4.116 1.154 -11.951 1.00 33.11 O ATOM 335 CB PRO B 139 1.679 -0.481 -13.231 1.00 51.14 C ATOM 336 CG PRO B 139 0.398 0.239 -13.065 1.00 12.24 C ATOM 337 CD PRO B 139 -0.167 -0.274 -11.792 1.00 64.24 C ATOM 0 HA PRO B 139 2.969 -1.180 -11.540 1.00 24.41 H new ATOM 0 HB2 PRO B 139 2.323 -0.007 -13.972 1.00 51.14 H new ATOM 0 HB3 PRO B 139 1.532 -1.513 -13.550 1.00 51.14 H new ATOM 0 HG2 PRO B 139 0.554 1.317 -13.022 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -0.274 0.047 -13.901 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -0.907 0.403 -11.365 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.654 -1.241 -11.916 1.00 64.24 H new ATOM 345 N ASN B 140 2.085 1.932 -11.396 1.00 23.02 N ATOM 346 CA ASN B 140 2.293 3.282 -11.394 1.00 20.23 C ATOM 347 C ASN B 140 2.595 3.767 -10.013 1.00 43.12 C ATOM 348 O ASN B 140 1.715 4.238 -9.295 1.00 34.53 O ATOM 349 CB ASN B 140 1.042 3.967 -12.024 1.00 62.14 C ATOM 350 CG ASN B 140 -0.285 3.246 -11.823 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.491 2.541 -10.899 1.00 54.34 O ATOM 352 ND2 ASN B 140 -1.204 3.459 -12.718 1.00 42.30 N ATOM 0 H ASN B 140 1.137 1.703 -11.099 1.00 23.02 H new ATOM 0 HA ASN B 140 3.165 3.542 -11.995 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.954 4.971 -11.609 1.00 62.14 H new ATOM 0 HB3 ASN B 140 1.214 4.079 -13.095 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -2.117 3.014 -12.627 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -1.011 4.071 -13.511 1.00 42.30 H new ATOM 359 N GLU B 141 3.853 3.605 -9.645 1.00 73.15 N ATOM 360 CA GLU B 141 4.392 4.005 -8.351 1.00 45.35 C ATOM 361 C GLU B 141 4.075 5.468 -8.064 1.00 73.44 C ATOM 362 O GLU B 141 3.785 5.844 -6.932 1.00 64.43 O ATOM 363 CB GLU B 141 5.907 3.760 -8.339 1.00 72.42 C ATOM 364 CG GLU B 141 6.299 2.281 -8.314 1.00 31.50 C ATOM 365 CD GLU B 141 7.770 2.039 -8.612 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.609 2.046 -7.694 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 8.105 1.806 -9.794 1.00 72.31 O ATOM 0 H GLU B 141 4.551 3.179 -10.254 1.00 73.15 H new ATOM 0 HA GLU B 141 3.927 3.408 -7.566 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.347 4.227 -9.220 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.338 4.254 -7.468 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.062 1.867 -7.334 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.695 1.741 -9.043 1.00 31.50 H new ATOM 374 N GLN B 142 4.097 6.277 -9.108 1.00 51.13 N ATOM 375 CA GLN B 142 3.769 7.688 -8.995 1.00 31.54 C ATOM 376 C GLN B 142 2.334 7.882 -8.531 1.00 51.24 C ATOM 377 O GLN B 142 2.100 8.594 -7.549 1.00 5.41 O ATOM 378 CB GLN B 142 3.933 8.410 -10.327 1.00 3.13 C ATOM 379 CG GLN B 142 5.329 8.444 -10.899 1.00 43.42 C ATOM 380 CD GLN B 142 5.356 9.134 -12.251 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.187 8.501 -13.301 1.00 44.11 O ATOM 382 NE2 GLN B 142 5.523 10.426 -12.243 1.00 63.34 N ATOM 0 H GLN B 142 4.341 5.978 -10.052 1.00 51.13 H new ATOM 0 HA GLN B 142 4.460 8.106 -8.263 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.275 7.937 -11.056 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.588 9.437 -10.205 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.994 8.964 -10.210 1.00 43.42 H new ATOM 0 HG3 GLN B 142 5.707 7.427 -11.000 1.00 43.42 H new ATOM 0 HE21 GLN B 142 5.660 10.917 -11.360 1.00 63.34 H new ATOM 0 HE22 GLN B 142 5.517 10.946 -13.120 1.00 63.34 H new ATOM 391 N ILE B 143 1.364 7.251 -9.218 1.00 34.31 N ATOM 392 CA ILE B 143 -0.033 7.498 -8.869 1.00 21.53 C ATOM 393 C ILE B 143 -0.382 6.833 -7.565 1.00 1.45 C ATOM 394 O ILE B 143 -1.291 7.277 -6.868 1.00 53.35 O ATOM 395 CB ILE B 143 -1.028 7.132 -10.009 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.060 5.694 -10.279 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.591 7.770 -11.285 1.00 44.30 C ATOM 398 CD1 ILE B 143 -1.923 4.796 -9.453 1.00 51.44 C ATOM 0 H ILE B 143 1.517 6.595 -9.984 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.141 8.574 -8.736 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.008 7.476 -9.678 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.362 5.566 -11.319 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.037 5.326 -10.196 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.291 7.511 -12.080 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -0.568 8.853 -11.161 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.405 7.413 -11.548 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.816 3.768 -9.800 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.620 4.860 -8.408 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -2.964 5.104 -9.548 1.00 51.44 H new ATOM 410 N LEU B 144 0.338 5.744 -7.262 1.00 55.31 N ATOM 411 CA LEU B 144 0.241 5.078 -5.966 1.00 51.23 C ATOM 412 C LEU B 144 0.373 6.107 -4.854 1.00 35.13 C ATOM 413 O LEU B 144 -0.482 6.203 -3.979 1.00 44.33 O ATOM 414 CB LEU B 144 1.338 3.990 -5.846 1.00 3.21 C ATOM 415 CG LEU B 144 1.582 3.356 -4.455 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.994 1.919 -4.608 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.706 4.076 -3.738 1.00 24.12 C ATOM 0 H LEU B 144 0.997 5.307 -7.906 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.731 4.592 -5.877 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.090 3.187 -6.540 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.278 4.425 -6.185 1.00 3.21 H new ATOM 0 HG LEU B 144 0.656 3.433 -3.886 1.00 52.24 H new ATOM 0 HD11 LEU B 144 2.163 1.482 -3.624 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.205 1.367 -5.119 1.00 13.41 H new ATOM 0 HD13 LEU B 144 2.913 1.864 -5.192 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.866 3.619 -2.761 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.620 4.002 -4.327 1.00 24.12 H new ATOM 0 HD23 LEU B 144 2.442 5.126 -3.609 1.00 24.12 H new ATOM 429 N GLN B 145 1.409 6.932 -4.964 1.00 62.02 N ATOM 430 CA GLN B 145 1.712 7.953 -3.984 1.00 14.14 C ATOM 431 C GLN B 145 0.615 8.973 -3.914 1.00 53.32 C ATOM 432 O GLN B 145 0.198 9.371 -2.831 1.00 13.44 O ATOM 433 CB GLN B 145 3.019 8.632 -4.325 1.00 31.14 C ATOM 434 CG GLN B 145 4.183 7.686 -4.343 1.00 35.44 C ATOM 435 CD GLN B 145 5.499 8.377 -4.521 1.00 5.04 C ATOM 436 OE1 GLN B 145 5.977 8.583 -5.634 1.00 4.41 O ATOM 437 NE2 GLN B 145 6.101 8.738 -3.425 1.00 60.40 N ATOM 0 H GLN B 145 2.064 6.905 -5.745 1.00 62.02 H new ATOM 0 HA GLN B 145 1.799 7.471 -3.010 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.930 9.109 -5.301 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.211 9.423 -3.600 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.199 7.121 -3.411 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.046 6.966 -5.149 1.00 35.44 H new ATOM 0 HE21 GLN B 145 5.670 8.548 -2.520 1.00 60.40 H new ATOM 0 HE22 GLN B 145 7.004 9.211 -3.471 1.00 60.40 H new ATOM 446 N GLU B 146 0.135 9.349 -5.067 1.00 55.14 N ATOM 447 CA GLU B 146 -0.907 10.350 -5.211 1.00 32.43 C ATOM 448 C GLU B 146 -2.207 9.892 -4.552 1.00 61.02 C ATOM 449 O GLU B 146 -2.875 10.664 -3.851 1.00 62.21 O ATOM 450 CB GLU B 146 -1.153 10.617 -6.690 1.00 61.15 C ATOM 451 CG GLU B 146 0.080 11.069 -7.439 1.00 73.43 C ATOM 452 CD GLU B 146 0.638 12.360 -6.911 1.00 74.32 C ATOM 453 OE1 GLU B 146 -0.007 13.410 -7.077 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 1.736 12.348 -6.317 1.00 3.34 O ATOM 0 H GLU B 146 0.458 8.966 -5.955 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.576 11.263 -4.717 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.537 9.709 -7.155 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -1.927 11.378 -6.789 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.844 10.294 -7.374 1.00 73.43 H new ATOM 0 HG3 GLU B 146 -0.164 11.188 -8.495 1.00 73.43 H new ATOM 461 N ALA B 147 -2.550 8.641 -4.768 1.00 15.44 N ATOM 462 CA ALA B 147 -3.770 8.081 -4.233 1.00 72.45 C ATOM 463 C ALA B 147 -3.650 7.828 -2.750 1.00 11.52 C ATOM 464 O ALA B 147 -4.624 7.990 -2.005 1.00 71.22 O ATOM 465 CB ALA B 147 -4.142 6.807 -4.964 1.00 4.23 C ATOM 0 H ALA B 147 -1.993 7.986 -5.317 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.566 8.810 -4.386 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.063 6.403 -4.545 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.289 7.024 -6.022 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.341 6.076 -4.852 1.00 4.23 H new ATOM 471 N LEU B 148 -2.448 7.485 -2.314 1.00 50.13 N ATOM 472 CA LEU B 148 -2.177 7.178 -0.923 1.00 10.21 C ATOM 473 C LEU B 148 -2.606 8.285 -0.003 1.00 72.25 C ATOM 474 O LEU B 148 -3.080 8.020 1.060 1.00 11.01 O ATOM 475 CB LEU B 148 -0.707 6.878 -0.691 1.00 24.22 C ATOM 476 CG LEU B 148 -0.202 5.494 -1.073 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.302 5.440 -0.921 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.850 4.425 -0.202 1.00 53.12 C ATOM 0 H LEU B 148 -1.631 7.412 -2.920 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.764 6.289 -0.693 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.123 7.613 -1.244 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.495 7.033 0.367 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.469 5.300 -2.112 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.660 4.448 -1.195 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.760 6.184 -1.572 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.571 5.649 0.114 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.475 3.443 -0.492 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.608 4.612 0.844 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -1.932 4.454 -0.335 1.00 53.12 H new ATOM 490 N TRP B 149 -2.476 9.512 -0.447 1.00 72.11 N ATOM 491 CA TRP B 149 -2.861 10.670 0.345 1.00 73.33 C ATOM 492 C TRP B 149 -4.269 10.552 0.910 1.00 33.51 C ATOM 493 O TRP B 149 -4.474 10.700 2.117 1.00 12.44 O ATOM 494 CB TRP B 149 -2.737 11.925 -0.483 1.00 5.20 C ATOM 495 CG TRP B 149 -1.336 12.383 -0.662 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.489 12.049 -1.664 1.00 14.14 C ATOM 497 CD2 TRP B 149 -0.614 13.263 0.198 1.00 64.10 C ATOM 498 NE1 TRP B 149 0.717 12.659 -1.485 1.00 44.31 N ATOM 499 CE2 TRP B 149 0.669 13.413 -0.348 1.00 41.22 C ATOM 500 CE3 TRP B 149 -0.929 13.938 1.378 1.00 50.34 C ATOM 501 CZ2 TRP B 149 1.639 14.209 0.243 1.00 11.41 C ATOM 502 CZ3 TRP B 149 0.034 14.728 1.962 1.00 0.00 C ATOM 503 CH2 TRP B 149 1.305 14.859 1.395 1.00 21.30 C ATOM 0 H TRP B 149 -2.101 9.743 -1.367 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.180 10.719 1.195 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -3.181 11.749 -1.463 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.313 12.721 -0.010 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -0.734 11.394 -2.487 1.00 14.14 H new ATOM 0 HE1 TRP B 149 1.525 12.567 -2.101 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -1.908 13.842 1.823 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 2.622 14.310 -0.193 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -0.196 15.257 2.875 1.00 0.00 H new ATOM 0 HH2 TRP B 149 2.038 15.488 1.879 1.00 21.30 H new ATOM 514 N ALA B 150 -5.210 10.231 0.062 1.00 4.41 N ATOM 515 CA ALA B 150 -6.578 10.124 0.480 1.00 55.10 C ATOM 516 C ALA B 150 -6.858 8.734 1.051 1.00 74.03 C ATOM 517 O ALA B 150 -7.572 8.578 2.050 1.00 33.30 O ATOM 518 CB ALA B 150 -7.506 10.424 -0.684 1.00 15.21 C ATOM 0 H ALA B 150 -5.050 10.039 -0.927 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.761 10.856 1.266 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.542 10.340 -0.355 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.321 11.436 -1.045 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.322 9.712 -1.489 1.00 15.21 H new ATOM 524 N LEU B 151 -6.247 7.742 0.454 1.00 70.43 N ATOM 525 CA LEU B 151 -6.483 6.338 0.795 1.00 60.43 C ATOM 526 C LEU B 151 -5.833 5.887 2.101 1.00 0.01 C ATOM 527 O LEU B 151 -6.314 4.969 2.753 1.00 1.42 O ATOM 528 CB LEU B 151 -6.038 5.450 -0.345 1.00 30.21 C ATOM 529 CG LEU B 151 -7.007 5.251 -1.519 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.229 4.491 -1.069 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.423 6.560 -2.188 1.00 54.11 C ATOM 0 H LEU B 151 -5.563 7.874 -0.291 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.557 6.245 0.955 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -5.109 5.857 -0.743 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.805 4.468 0.067 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.466 4.673 -2.268 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.906 4.358 -1.913 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.930 3.515 -0.686 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.735 5.050 -0.282 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.108 6.347 -3.009 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.919 7.200 -1.458 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.539 7.068 -2.575 1.00 54.11 H new ATOM 543 N SER B 152 -4.781 6.537 2.490 1.00 60.31 N ATOM 544 CA SER B 152 -4.061 6.193 3.697 1.00 74.51 C ATOM 545 C SER B 152 -4.913 6.491 4.941 1.00 11.20 C ATOM 546 O SER B 152 -4.722 5.876 5.990 1.00 33.33 O ATOM 547 CB SER B 152 -2.703 6.924 3.729 1.00 21.44 C ATOM 548 OG SER B 152 -1.897 6.521 4.814 1.00 22.11 O ATOM 0 H SER B 152 -4.387 7.329 1.982 1.00 60.31 H new ATOM 0 HA SER B 152 -3.858 5.122 3.702 1.00 74.51 H new ATOM 0 HB2 SER B 152 -2.171 6.736 2.796 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.874 7.999 3.788 1.00 21.44 H new ATOM 0 HG SER B 152 -2.108 5.594 5.052 1.00 22.11 H new ATOM 554 N ASN B 153 -5.915 7.384 4.784 1.00 64.24 N ATOM 555 CA ASN B 153 -6.762 7.825 5.904 1.00 44.31 C ATOM 556 C ASN B 153 -7.564 6.686 6.458 1.00 64.55 C ATOM 557 O ASN B 153 -7.928 6.687 7.630 1.00 64.23 O ATOM 558 CB ASN B 153 -7.726 8.951 5.510 1.00 63.41 C ATOM 559 CG ASN B 153 -7.058 10.278 5.222 1.00 23.31 C ATOM 560 OD1 ASN B 153 -6.822 11.071 6.131 1.00 40.43 O ATOM 561 ND2 ASN B 153 -6.820 10.559 3.970 1.00 50.30 N ATOM 0 H ASN B 153 -6.154 7.812 3.889 1.00 64.24 H new ATOM 0 HA ASN B 153 -6.076 8.205 6.661 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -8.285 8.641 4.627 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -8.450 9.090 6.313 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -6.424 11.464 3.717 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -7.030 9.873 3.245 1.00 50.30 H new ATOM 568 N ILE B 154 -7.829 5.706 5.616 1.00 75.13 N ATOM 569 CA ILE B 154 -8.578 4.545 6.030 1.00 55.41 C ATOM 570 C ILE B 154 -7.720 3.762 7.020 1.00 43.23 C ATOM 571 O ILE B 154 -8.095 3.566 8.169 1.00 31.12 O ATOM 572 CB ILE B 154 -8.984 3.602 4.829 1.00 3.11 C ATOM 573 CG1 ILE B 154 -9.921 4.272 3.782 1.00 50.30 C ATOM 574 CG2 ILE B 154 -9.675 2.357 5.361 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.354 5.415 2.978 1.00 21.43 C ATOM 0 H ILE B 154 -7.534 5.695 4.640 1.00 75.13 H new ATOM 0 HA ILE B 154 -9.509 4.889 6.480 1.00 55.41 H new ATOM 0 HB ILE B 154 -8.052 3.359 4.319 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -10.254 3.502 3.086 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -10.807 4.634 4.304 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -9.952 1.711 4.528 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -8.998 1.821 6.026 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -10.571 2.645 5.911 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.112 5.787 2.289 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.050 6.217 3.650 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -8.489 5.068 2.413 1.00 21.43 H new ATOM 587 N ALA B 155 -6.514 3.424 6.586 1.00 10.31 N ATOM 588 CA ALA B 155 -5.576 2.638 7.382 1.00 14.12 C ATOM 589 C ALA B 155 -5.149 3.373 8.658 1.00 64.41 C ATOM 590 O ALA B 155 -4.707 2.746 9.619 1.00 71.04 O ATOM 591 CB ALA B 155 -4.366 2.254 6.544 1.00 41.11 C ATOM 0 H ALA B 155 -6.155 3.687 5.668 1.00 10.31 H new ATOM 0 HA ALA B 155 -6.089 1.729 7.696 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -3.675 1.668 7.150 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -4.689 1.662 5.688 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -3.866 3.156 6.193 1.00 41.11 H new ATOM 597 N SER B 156 -5.318 4.703 8.673 1.00 4.52 N ATOM 598 CA SER B 156 -5.007 5.517 9.842 1.00 54.22 C ATOM 599 C SER B 156 -5.899 5.136 11.032 1.00 33.11 C ATOM 600 O SER B 156 -5.586 5.447 12.188 1.00 31.14 O ATOM 601 CB SER B 156 -5.141 6.997 9.505 1.00 51.15 C ATOM 602 OG SER B 156 -4.297 7.330 8.413 1.00 71.21 O ATOM 0 H SER B 156 -5.672 5.235 7.878 1.00 4.52 H new ATOM 0 HA SER B 156 -3.974 5.324 10.132 1.00 54.22 H new ATOM 0 HB2 SER B 156 -6.177 7.229 9.257 1.00 51.15 H new ATOM 0 HB3 SER B 156 -4.879 7.600 10.374 1.00 51.15 H new ATOM 0 HG SER B 156 -4.608 6.868 7.607 1.00 71.21 H new ATOM 608 N GLY B 157 -7.007 4.469 10.748 1.00 64.35 N ATOM 609 CA GLY B 157 -7.825 3.928 11.788 1.00 65.32 C ATOM 610 C GLY B 157 -7.221 2.618 12.241 1.00 30.23 C ATOM 611 O GLY B 157 -7.727 1.527 11.906 1.00 41.22 O ATOM 0 H GLY B 157 -7.349 4.297 9.802 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -7.886 4.626 12.623 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -8.842 3.772 11.428 1.00 65.32 H new ATOM 615 N GLY B 158 -6.137 2.720 13.001 1.00 4.51 N ATOM 616 CA GLY B 158 -5.351 1.582 13.423 1.00 1.13 C ATOM 617 C GLY B 158 -5.993 0.753 14.511 1.00 32.24 C ATOM 618 O GLY B 158 -5.366 0.460 15.523 1.00 23.13 O ATOM 0 H GLY B 158 -5.780 3.612 13.343 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -5.163 0.944 12.559 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -4.382 1.935 13.775 1.00 1.13 H new ATOM 622 N ASN B 159 -7.220 0.376 14.296 1.00 23.14 N ATOM 623 CA ASN B 159 -7.955 -0.473 15.203 1.00 4.32 C ATOM 624 C ASN B 159 -9.068 -1.166 14.447 1.00 43.12 C ATOM 625 O ASN B 159 -9.089 -2.378 14.333 1.00 73.44 O ATOM 626 CB ASN B 159 -8.546 0.322 16.386 1.00 41.53 C ATOM 627 CG ASN B 159 -9.322 -0.561 17.367 1.00 73.54 C ATOM 628 OD1 ASN B 159 -9.000 -1.741 17.564 1.00 53.51 O ATOM 629 ND2 ASN B 159 -10.336 -0.006 17.979 1.00 13.35 N ATOM 0 H ASN B 159 -7.752 0.653 13.471 1.00 23.14 H new ATOM 0 HA ASN B 159 -7.262 -1.207 15.614 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -7.739 0.826 16.918 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -9.208 1.098 16.002 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -10.890 -0.548 18.643 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -10.573 0.968 17.793 1.00 13.35 H new ATOM 636 N GLU B 160 -9.958 -0.394 13.886 1.00 61.13 N ATOM 637 CA GLU B 160 -11.114 -0.955 13.222 1.00 44.33 C ATOM 638 C GLU B 160 -10.937 -1.093 11.712 1.00 21.45 C ATOM 639 O GLU B 160 -11.451 -2.033 11.106 1.00 55.12 O ATOM 640 CB GLU B 160 -12.355 -0.163 13.588 1.00 21.44 C ATOM 641 CG GLU B 160 -12.646 -0.218 15.079 1.00 75.15 C ATOM 642 CD GLU B 160 -13.842 0.578 15.479 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.984 0.129 15.222 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -13.681 1.664 16.064 1.00 5.33 O ATOM 0 H GLU B 160 -9.910 0.625 13.873 1.00 61.13 H new ATOM 0 HA GLU B 160 -11.235 -1.977 13.582 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.226 0.875 13.282 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -13.210 -0.554 13.037 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -12.795 -1.257 15.375 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -11.776 0.147 15.625 1.00 75.15 H new ATOM 651 N GLN B 161 -10.277 -0.151 11.096 1.00 55.22 N ATOM 652 CA GLN B 161 -9.994 -0.243 9.669 1.00 4.24 C ATOM 653 C GLN B 161 -8.775 -1.120 9.394 1.00 2.21 C ATOM 654 O GLN B 161 -8.598 -1.623 8.311 1.00 4.14 O ATOM 655 CB GLN B 161 -9.757 1.123 9.013 1.00 73.31 C ATOM 656 CG GLN B 161 -10.933 2.103 8.978 1.00 74.15 C ATOM 657 CD GLN B 161 -11.144 2.910 10.250 1.00 63.34 C ATOM 658 OE1 GLN B 161 -10.871 2.467 11.368 1.00 30.32 O ATOM 659 NE2 GLN B 161 -11.584 4.118 10.081 1.00 71.32 N ATOM 0 H GLN B 161 -9.921 0.691 11.548 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.887 -0.689 9.232 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -8.931 1.607 9.533 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -9.431 0.952 7.987 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.784 2.795 8.149 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -11.844 1.544 8.767 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -11.801 4.455 9.143 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -11.713 4.731 10.886 1.00 71.32 H new ATOM 668 N LYS B 162 -7.960 -1.311 10.393 1.00 0.01 N ATOM 669 CA LYS B 162 -6.643 -1.917 10.207 1.00 53.04 C ATOM 670 C LYS B 162 -6.648 -3.403 9.764 1.00 54.42 C ATOM 671 O LYS B 162 -5.706 -3.853 9.114 1.00 41.24 O ATOM 672 CB LYS B 162 -5.782 -1.685 11.442 1.00 52.24 C ATOM 673 CG LYS B 162 -4.321 -2.016 11.261 1.00 72.31 C ATOM 674 CD LYS B 162 -3.557 -1.732 12.528 1.00 53.42 C ATOM 675 CE LYS B 162 -3.816 -2.766 13.611 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.332 -4.106 13.230 1.00 22.01 N1+ ATOM 0 H LYS B 162 -8.174 -1.058 11.358 1.00 0.01 H new ATOM 0 HA LYS B 162 -6.199 -1.405 9.353 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.870 -0.640 11.739 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.178 -2.284 12.262 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.210 -3.066 10.990 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.908 -1.430 10.440 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.490 -1.703 12.306 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.832 -0.745 12.900 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.327 -2.454 14.533 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.885 -2.813 13.818 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -2.897 -4.565 14.055 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -4.131 -4.681 12.895 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.627 -4.017 12.471 1.00 22.01 H new ATOM 690 N GLN B 163 -7.686 -4.152 10.073 1.00 45.04 N ATOM 691 CA GLN B 163 -7.716 -5.571 9.671 1.00 54.43 C ATOM 692 C GLN B 163 -8.093 -5.730 8.197 1.00 43.34 C ATOM 693 O GLN B 163 -7.829 -6.776 7.585 1.00 51.54 O ATOM 694 CB GLN B 163 -8.679 -6.401 10.508 1.00 0.44 C ATOM 695 CG GLN B 163 -10.116 -5.959 10.394 1.00 12.45 C ATOM 696 CD GLN B 163 -10.526 -4.988 11.471 1.00 32.52 C ATOM 697 OE1 GLN B 163 -9.717 -4.197 11.967 1.00 71.21 O ATOM 698 NE2 GLN B 163 -11.765 -5.053 11.860 1.00 35.45 N ATOM 0 H GLN B 163 -8.506 -3.828 10.586 1.00 45.04 H new ATOM 0 HA GLN B 163 -6.704 -5.940 9.837 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -8.604 -7.445 10.204 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -8.374 -6.351 11.553 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.271 -5.497 9.419 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.763 -6.835 10.438 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.402 -5.720 11.425 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -12.100 -4.437 12.600 1.00 35.45 H new ATOM 707 N ALA B 164 -8.670 -4.674 7.637 1.00 52.32 N ATOM 708 CA ALA B 164 -9.170 -4.627 6.254 1.00 30.11 C ATOM 709 C ALA B 164 -8.136 -5.077 5.286 1.00 13.35 C ATOM 710 O ALA B 164 -8.395 -5.824 4.372 1.00 74.41 O ATOM 711 CB ALA B 164 -9.430 -3.208 5.915 1.00 12.31 C ATOM 0 H ALA B 164 -8.811 -3.798 8.140 1.00 52.32 H new ATOM 0 HA ALA B 164 -10.051 -5.265 6.193 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.803 -3.140 4.893 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.174 -2.801 6.600 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.505 -2.638 6.002 1.00 12.31 H new ATOM 717 N VAL B 165 -6.960 -4.634 5.544 1.00 3.02 N ATOM 718 CA VAL B 165 -5.830 -4.765 4.676 1.00 13.21 C ATOM 719 C VAL B 165 -5.425 -6.242 4.484 1.00 2.43 C ATOM 720 O VAL B 165 -4.918 -6.627 3.432 1.00 61.00 O ATOM 721 CB VAL B 165 -4.664 -3.915 5.247 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.201 -2.576 5.659 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.119 -4.530 6.461 1.00 41.10 C ATOM 0 H VAL B 165 -6.740 -4.143 6.411 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.091 -4.395 3.685 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.894 -3.837 4.480 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.391 -1.968 6.063 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.634 -2.075 4.793 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -5.968 -2.711 6.421 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.303 -3.918 6.844 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.903 -4.603 7.215 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.746 -5.527 6.228 1.00 41.10 H new ATOM 733 N LYS B 166 -5.714 -7.074 5.474 1.00 72.33 N ATOM 734 CA LYS B 166 -5.367 -8.479 5.391 1.00 62.53 C ATOM 735 C LYS B 166 -6.399 -9.189 4.541 1.00 61.12 C ATOM 736 O LYS B 166 -6.084 -10.097 3.789 1.00 13.14 O ATOM 737 CB LYS B 166 -5.281 -9.158 6.775 1.00 64.02 C ATOM 738 CG LYS B 166 -4.257 -8.584 7.767 1.00 21.20 C ATOM 739 CD LYS B 166 -4.716 -7.284 8.415 1.00 51.32 C ATOM 740 CE LYS B 166 -3.919 -6.999 9.673 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.127 -8.031 10.714 1.00 65.44 N1+ ATOM 0 H LYS B 166 -6.184 -6.800 6.337 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.376 -8.548 4.942 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -6.266 -9.110 7.238 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -5.051 -10.213 6.622 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -4.061 -9.322 8.545 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.314 -8.411 7.248 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.599 -6.460 7.711 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.777 -7.348 8.658 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -2.859 -6.945 9.425 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.204 -6.024 10.068 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.391 -7.573 11.609 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -4.887 -8.675 10.417 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.248 -8.571 10.848 1.00 65.44 H new ATOM 755 N GLU B 167 -7.621 -8.725 4.642 1.00 75.44 N ATOM 756 CA GLU B 167 -8.720 -9.229 3.936 1.00 33.13 C ATOM 757 C GLU B 167 -8.667 -8.736 2.481 1.00 4.33 C ATOM 758 O GLU B 167 -9.047 -9.440 1.553 1.00 61.22 O ATOM 759 CB GLU B 167 -9.936 -8.715 4.670 1.00 35.41 C ATOM 760 CG GLU B 167 -11.197 -8.888 3.953 1.00 14.32 C ATOM 761 CD GLU B 167 -12.365 -8.427 4.761 1.00 71.10 C ATOM 762 OE1 GLU B 167 -12.924 -9.235 5.520 1.00 34.35 O ATOM 763 OE2 GLU B 167 -12.735 -7.248 4.679 1.00 51.30 O1- ATOM 0 H GLU B 167 -7.863 -7.947 5.256 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.735 -10.318 3.889 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -10.007 -9.225 5.631 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.796 -7.655 4.881 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -11.161 -8.332 3.016 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -11.326 -9.939 3.695 1.00 14.32 H new ATOM 770 N ALA B 168 -8.169 -7.526 2.314 1.00 51.34 N ATOM 771 CA ALA B 168 -7.992 -6.908 1.016 1.00 12.43 C ATOM 772 C ALA B 168 -6.857 -7.579 0.248 1.00 34.44 C ATOM 773 O ALA B 168 -6.804 -7.522 -0.979 1.00 25.22 O ATOM 774 CB ALA B 168 -7.705 -5.431 1.194 1.00 40.11 C ATOM 0 H ALA B 168 -7.871 -6.935 3.091 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.909 -7.031 0.439 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.572 -4.966 0.217 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.540 -4.958 1.710 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.796 -5.305 1.783 1.00 40.11 H new ATOM 780 N GLY B 169 -5.953 -8.200 0.981 1.00 34.33 N ATOM 781 CA GLY B 169 -4.858 -8.910 0.369 1.00 34.02 C ATOM 782 C GLY B 169 -3.648 -8.035 0.164 1.00 4.54 C ATOM 783 O GLY B 169 -2.968 -8.145 -0.849 1.00 31.44 O ATOM 0 H GLY B 169 -5.959 -8.224 2.001 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.586 -9.761 0.994 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.180 -9.310 -0.592 1.00 34.02 H new ATOM 787 N ALA B 170 -3.357 -7.179 1.155 1.00 35.41 N ATOM 788 CA ALA B 170 -2.211 -6.248 1.121 1.00 34.41 C ATOM 789 C ALA B 170 -0.882 -6.953 0.871 1.00 73.04 C ATOM 790 O ALA B 170 0.046 -6.347 0.378 1.00 1.24 O ATOM 791 CB ALA B 170 -2.153 -5.433 2.407 1.00 13.24 C ATOM 0 H ALA B 170 -3.911 -7.110 2.009 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.371 -5.578 0.276 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.303 -4.751 2.368 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.074 -4.860 2.516 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.040 -6.104 3.258 1.00 13.24 H new ATOM 797 N LEU B 171 -0.826 -8.235 1.179 1.00 61.22 N ATOM 798 CA LEU B 171 0.375 -9.039 1.021 1.00 71.22 C ATOM 799 C LEU B 171 0.831 -9.101 -0.439 1.00 54.15 C ATOM 800 O LEU B 171 1.961 -8.696 -0.764 1.00 23.24 O ATOM 801 CB LEU B 171 0.121 -10.443 1.547 1.00 35.44 C ATOM 802 CG LEU B 171 -0.320 -10.531 3.004 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.598 -11.960 3.376 1.00 70.51 C ATOM 804 CD2 LEU B 171 0.738 -9.940 3.920 1.00 11.20 C ATOM 0 H LEU B 171 -1.621 -8.755 1.550 1.00 61.22 H new ATOM 0 HA LEU B 171 1.173 -8.567 1.594 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.642 -10.912 0.926 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.033 -11.027 1.426 1.00 35.44 H new ATOM 0 HG LEU B 171 -1.237 -9.954 3.124 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.912 -12.010 4.419 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -1.390 -12.354 2.739 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.306 -12.554 3.240 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.405 -10.012 4.955 1.00 11.20 H new ATOM 0 HD22 LEU B 171 1.671 -10.490 3.800 1.00 11.20 H new ATOM 0 HD23 LEU B 171 0.898 -8.893 3.663 1.00 11.20 H new ATOM 816 N GLU B 172 -0.046 -9.563 -1.322 1.00 61.41 N ATOM 817 CA GLU B 172 0.292 -9.701 -2.741 1.00 12.34 C ATOM 818 C GLU B 172 0.418 -8.341 -3.407 1.00 12.03 C ATOM 819 O GLU B 172 1.099 -8.197 -4.424 1.00 11.21 O ATOM 820 CB GLU B 172 -0.742 -10.557 -3.466 1.00 22.42 C ATOM 821 CG GLU B 172 -2.140 -9.968 -3.482 1.00 4.33 C ATOM 822 CD GLU B 172 -3.136 -10.908 -4.065 1.00 14.33 C ATOM 823 OE1 GLU B 172 -3.537 -11.846 -3.367 1.00 71.05 O1- ATOM 824 OE2 GLU B 172 -3.528 -10.739 -5.244 1.00 61.51 O ATOM 0 H GLU B 172 -0.996 -9.849 -1.085 1.00 61.41 H new ATOM 0 HA GLU B 172 1.258 -10.202 -2.805 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -0.413 -10.710 -4.494 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -0.779 -11.539 -2.994 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -2.436 -9.711 -2.465 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -2.136 -9.042 -4.057 1.00 4.33 H new ATOM 831 N LYS B 173 -0.234 -7.353 -2.825 1.00 75.52 N ATOM 832 CA LYS B 173 -0.198 -6.018 -3.324 1.00 52.14 C ATOM 833 C LYS B 173 1.176 -5.435 -3.036 1.00 13.42 C ATOM 834 O LYS B 173 1.850 -4.914 -3.927 1.00 22.05 O ATOM 835 CB LYS B 173 -1.273 -5.193 -2.619 1.00 52.11 C ATOM 836 CG LYS B 173 -2.676 -5.786 -2.676 1.00 23.24 C ATOM 837 CD LYS B 173 -3.325 -5.704 -4.043 1.00 32.34 C ATOM 838 CE LYS B 173 -4.580 -6.548 -4.082 1.00 65.44 C ATOM 839 NZ LYS B 173 -5.246 -6.564 -5.400 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.804 -7.469 -1.987 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.386 -6.004 -4.398 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -0.989 -5.069 -1.574 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -1.296 -4.198 -3.063 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.630 -6.831 -2.369 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -3.308 -5.269 -1.954 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.569 -4.667 -4.275 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -2.625 -6.046 -4.806 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -4.328 -7.570 -3.800 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -5.281 -6.175 -3.335 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -5.885 -7.383 -5.456 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -5.793 -5.688 -5.523 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.529 -6.632 -6.150 1.00 43.00 H new ATOM 853 N LEU B 174 1.592 -5.590 -1.784 1.00 32.33 N ATOM 854 CA LEU B 174 2.861 -5.096 -1.297 1.00 44.15 C ATOM 855 C LEU B 174 4.013 -5.720 -2.067 1.00 4.04 C ATOM 856 O LEU B 174 4.958 -5.041 -2.378 1.00 43.44 O ATOM 857 CB LEU B 174 3.000 -5.393 0.209 1.00 22.15 C ATOM 858 CG LEU B 174 4.262 -4.875 0.911 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.328 -3.355 0.867 1.00 13.11 C ATOM 860 CD2 LEU B 174 4.311 -5.371 2.350 1.00 43.15 C ATOM 0 H LEU B 174 1.043 -6.072 -1.072 1.00 32.33 H new ATOM 0 HA LEU B 174 2.894 -4.017 -1.450 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.133 -4.972 0.718 1.00 22.15 H new ATOM 0 HB3 LEU B 174 2.956 -6.473 0.346 1.00 22.15 H new ATOM 0 HG LEU B 174 5.130 -5.264 0.379 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.232 -3.015 1.372 1.00 13.11 H new ATOM 0 HD12 LEU B 174 4.344 -3.021 -0.171 1.00 13.11 H new ATOM 0 HD13 LEU B 174 3.454 -2.938 1.368 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.212 -4.995 2.834 1.00 43.15 H new ATOM 0 HD22 LEU B 174 3.433 -5.013 2.888 1.00 43.15 H new ATOM 0 HD23 LEU B 174 4.322 -6.461 2.359 1.00 43.15 H new ATOM 872 N GLU B 175 3.891 -7.014 -2.398 1.00 64.22 N ATOM 873 CA GLU B 175 4.899 -7.761 -3.114 1.00 34.22 C ATOM 874 C GLU B 175 5.379 -7.029 -4.371 1.00 30.54 C ATOM 875 O GLU B 175 6.585 -6.896 -4.606 1.00 40.22 O ATOM 876 CB GLU B 175 4.317 -9.083 -3.552 1.00 31.20 C ATOM 877 CG GLU B 175 5.376 -10.027 -3.983 1.00 63.55 C ATOM 878 CD GLU B 175 4.869 -11.249 -4.681 1.00 72.13 C ATOM 879 OE1 GLU B 175 4.611 -12.266 -4.017 1.00 5.21 O ATOM 880 OE2 GLU B 175 4.762 -11.231 -5.927 1.00 12.05 O1- ATOM 0 H GLU B 175 3.067 -7.568 -2.164 1.00 64.22 H new ATOM 0 HA GLU B 175 5.744 -7.892 -2.439 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.749 -9.522 -2.731 1.00 31.20 H new ATOM 0 HB3 GLU B 175 3.618 -8.920 -4.372 1.00 31.20 H new ATOM 0 HG2 GLU B 175 6.064 -9.503 -4.647 1.00 63.55 H new ATOM 0 HG3 GLU B 175 5.949 -10.335 -3.108 1.00 63.55 H new ATOM 887 N GLN B 176 4.419 -6.542 -5.143 1.00 53.05 N ATOM 888 CA GLN B 176 4.677 -5.895 -6.419 1.00 51.12 C ATOM 889 C GLN B 176 5.432 -4.607 -6.185 1.00 15.23 C ATOM 890 O GLN B 176 6.392 -4.266 -6.882 1.00 25.45 O ATOM 891 CB GLN B 176 3.353 -5.543 -7.082 1.00 22.05 C ATOM 892 CG GLN B 176 2.300 -6.638 -7.049 1.00 3.54 C ATOM 893 CD GLN B 176 2.737 -7.951 -7.673 1.00 35.11 C ATOM 894 OE1 GLN B 176 3.554 -7.991 -8.594 1.00 25.33 O ATOM 895 NE2 GLN B 176 2.210 -9.033 -7.167 1.00 12.14 N ATOM 0 H GLN B 176 3.430 -6.586 -4.898 1.00 53.05 H new ATOM 0 HA GLN B 176 5.256 -6.570 -7.050 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.947 -4.656 -6.596 1.00 22.05 H new ATOM 0 HB3 GLN B 176 3.545 -5.277 -8.122 1.00 22.05 H new ATOM 0 HG2 GLN B 176 2.016 -6.820 -6.013 1.00 3.54 H new ATOM 0 HG3 GLN B 176 1.409 -6.283 -7.567 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.536 -8.964 -6.404 1.00 12.14 H new ATOM 0 HE22 GLN B 176 2.472 -9.948 -7.534 1.00 12.14 H new ATOM 904 N LEU B 177 4.993 -3.914 -5.183 1.00 55.23 N ATOM 905 CA LEU B 177 5.529 -2.632 -4.818 1.00 50.03 C ATOM 906 C LEU B 177 6.898 -2.781 -4.140 1.00 2.24 C ATOM 907 O LEU B 177 7.734 -1.902 -4.208 1.00 11.31 O ATOM 908 CB LEU B 177 4.469 -1.911 -3.975 1.00 4.33 C ATOM 909 CG LEU B 177 4.637 -0.438 -3.651 1.00 13.40 C ATOM 910 CD1 LEU B 177 5.649 -0.215 -2.568 1.00 11.02 C ATOM 911 CD2 LEU B 177 5.000 0.320 -4.920 1.00 54.44 C ATOM 0 H LEU B 177 4.234 -4.227 -4.578 1.00 55.23 H new ATOM 0 HA LEU B 177 5.733 -2.015 -5.693 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.514 -2.024 -4.488 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.388 -2.445 -3.028 1.00 4.33 H new ATOM 0 HG LEU B 177 3.691 -0.056 -3.268 1.00 13.40 H new ATOM 0 HD11 LEU B 177 5.738 0.853 -2.367 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.331 -0.729 -1.661 1.00 11.02 H new ATOM 0 HD13 LEU B 177 6.615 -0.606 -2.887 1.00 11.02 H new ATOM 0 HD21 LEU B 177 5.121 1.378 -4.690 1.00 54.44 H new ATOM 0 HD22 LEU B 177 5.933 -0.073 -5.324 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.206 0.198 -5.657 1.00 54.44 H new ATOM 923 N GLN B 178 7.118 -3.904 -3.518 1.00 31.43 N ATOM 924 CA GLN B 178 8.440 -4.232 -2.947 1.00 34.22 C ATOM 925 C GLN B 178 9.488 -4.381 -4.055 1.00 43.53 C ATOM 926 O GLN B 178 10.685 -4.189 -3.834 1.00 33.40 O ATOM 927 CB GLN B 178 8.399 -5.492 -2.077 1.00 22.20 C ATOM 928 CG GLN B 178 7.635 -5.329 -0.776 1.00 63.12 C ATOM 929 CD GLN B 178 8.241 -4.274 0.132 1.00 52.34 C ATOM 930 OE1 GLN B 178 7.889 -3.102 0.071 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.157 -4.676 0.970 1.00 12.22 N ATOM 0 H GLN B 178 6.410 -4.626 -3.381 1.00 31.43 H new ATOM 0 HA GLN B 178 8.724 -3.401 -2.302 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.947 -6.301 -2.651 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.421 -5.795 -1.849 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.602 -5.062 -0.997 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.612 -6.284 -0.251 1.00 63.12 H new ATOM 0 HE21 GLN B 178 9.428 -5.659 0.996 1.00 12.22 H new ATOM 0 HE22 GLN B 178 9.602 -4.007 1.599 1.00 12.22 H new ATOM 940 N SER B 179 9.017 -4.668 -5.254 1.00 11.02 N ATOM 941 CA SER B 179 9.848 -4.757 -6.444 1.00 25.41 C ATOM 942 C SER B 179 9.939 -3.367 -7.118 1.00 10.24 C ATOM 943 O SER B 179 10.213 -3.246 -8.314 1.00 40.01 O ATOM 944 CB SER B 179 9.243 -5.783 -7.395 1.00 32.12 C ATOM 945 OG SER B 179 9.127 -7.053 -6.756 1.00 64.32 O ATOM 0 H SER B 179 8.029 -4.849 -5.433 1.00 11.02 H new ATOM 0 HA SER B 179 10.856 -5.074 -6.177 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.261 -5.445 -7.726 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.866 -5.873 -8.285 1.00 32.12 H new ATOM 0 HG SER B 179 8.385 -7.031 -6.116 1.00 64.32 H new ATOM 951 N HIS B 180 9.685 -2.341 -6.304 1.00 24.01 N ATOM 952 CA HIS B 180 9.713 -0.910 -6.664 1.00 14.12 C ATOM 953 C HIS B 180 10.934 -0.517 -7.495 1.00 13.51 C ATOM 954 O HIS B 180 12.025 -1.096 -7.367 1.00 60.24 O ATOM 955 CB HIS B 180 9.715 -0.040 -5.379 1.00 1.42 C ATOM 956 CG HIS B 180 10.983 -0.130 -4.562 1.00 74.51 C ATOM 957 ND1 HIS B 180 11.850 0.915 -4.432 1.00 63.40 N ATOM 958 CD2 HIS B 180 11.540 -1.156 -3.880 1.00 44.44 C ATOM 959 CE1 HIS B 180 12.883 0.548 -3.721 1.00 71.54 C ATOM 960 NE2 HIS B 180 12.725 -0.699 -3.371 1.00 34.33 N ATOM 0 H HIS B 180 9.441 -2.486 -5.324 1.00 24.01 H new ATOM 0 HA HIS B 180 8.822 -0.737 -7.267 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.552 1.001 -5.660 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.873 -0.337 -4.753 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.713 1.844 -4.830 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.128 -2.147 -3.760 1.00 44.44 H new ATOM 0 HE1 HIS B 180 13.726 1.172 -3.466 1.00 71.54 H new ATOM 969 N GLU B 181 10.754 0.480 -8.287 1.00 2.23 N ATOM 970 CA GLU B 181 11.803 1.030 -9.083 1.00 3.54 C ATOM 971 C GLU B 181 12.125 2.432 -8.569 1.00 21.45 C ATOM 972 O GLU B 181 13.237 2.921 -8.734 1.00 41.00 O ATOM 973 CB GLU B 181 11.402 1.044 -10.558 1.00 22.41 C ATOM 974 CG GLU B 181 11.174 -0.350 -11.135 1.00 21.45 C ATOM 975 CD GLU B 181 10.647 -0.345 -12.546 1.00 4.11 C ATOM 976 OE1 GLU B 181 11.451 -0.259 -13.507 1.00 21.44 O ATOM 977 OE2 GLU B 181 9.422 -0.462 -12.734 1.00 34.25 O1- ATOM 0 H GLU B 181 9.856 0.949 -8.405 1.00 2.23 H new ATOM 0 HA GLU B 181 12.698 0.414 -9.003 1.00 3.54 H new ATOM 0 HB2 GLU B 181 10.491 1.631 -10.674 1.00 22.41 H new ATOM 0 HB3 GLU B 181 12.180 1.545 -11.134 1.00 22.41 H new ATOM 0 HG2 GLU B 181 12.114 -0.902 -11.110 1.00 21.45 H new ATOM 0 HG3 GLU B 181 10.472 -0.887 -10.497 1.00 21.45 H new ATOM 984 N ASN B 182 11.153 3.061 -7.913 1.00 1.10 N ATOM 985 CA ASN B 182 11.348 4.392 -7.328 1.00 51.53 C ATOM 986 C ASN B 182 11.849 4.267 -5.942 1.00 31.02 C ATOM 987 O ASN B 182 11.420 3.419 -5.163 1.00 72.11 O ATOM 988 CB ASN B 182 10.080 5.247 -7.379 1.00 70.24 C ATOM 989 CG ASN B 182 10.296 6.682 -6.883 1.00 71.13 C ATOM 990 OD1 ASN B 182 10.125 6.977 -5.699 1.00 53.24 O ATOM 991 ND2 ASN B 182 10.666 7.572 -7.761 1.00 41.44 N ATOM 0 H ASN B 182 10.220 2.673 -7.771 1.00 1.10 H new ATOM 0 HA ASN B 182 12.093 4.910 -7.932 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.711 5.276 -8.404 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.306 4.774 -6.775 1.00 70.24 H new ATOM 0 HD21 ASN B 182 10.821 8.538 -7.474 1.00 41.44 H new ATOM 0 HD22 ASN B 182 10.801 7.302 -8.735 1.00 41.44 H new ATOM 998 N GLU B 183 12.743 5.124 -5.653 1.00 21.41 N ATOM 999 CA GLU B 183 13.484 5.123 -4.456 1.00 75.53 C ATOM 1000 C GLU B 183 12.635 5.587 -3.233 1.00 53.13 C ATOM 1001 O GLU B 183 12.746 5.029 -2.145 1.00 62.23 O ATOM 1002 CB GLU B 183 14.681 6.015 -4.718 1.00 4.41 C ATOM 1003 CG GLU B 183 14.461 7.496 -4.437 1.00 71.12 C ATOM 1004 CD GLU B 183 15.524 8.389 -4.991 1.00 70.35 C ATOM 1005 OE1 GLU B 183 16.696 8.277 -4.598 1.00 74.32 O ATOM 1006 OE2 GLU B 183 15.193 9.254 -5.815 1.00 10.34 O1- ATOM 0 H GLU B 183 12.993 5.889 -6.279 1.00 21.41 H new ATOM 0 HA GLU B 183 13.803 4.117 -4.185 1.00 75.53 H new ATOM 0 HB2 GLU B 183 15.514 5.666 -4.108 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.978 5.900 -5.760 1.00 4.41 H new ATOM 0 HG2 GLU B 183 13.499 7.794 -4.853 1.00 71.12 H new ATOM 0 HG3 GLU B 183 14.402 7.645 -3.359 1.00 71.12 H new ATOM 1013 N LYS B 184 11.741 6.552 -3.450 1.00 31.52 N ATOM 1014 CA LYS B 184 10.947 7.146 -2.368 1.00 55.01 C ATOM 1015 C LYS B 184 9.779 6.259 -2.000 1.00 72.22 C ATOM 1016 O LYS B 184 9.196 6.382 -0.916 1.00 13.24 O ATOM 1017 CB LYS B 184 10.463 8.547 -2.748 1.00 13.15 C ATOM 1018 CG LYS B 184 11.579 9.564 -2.942 1.00 23.11 C ATOM 1019 CD LYS B 184 11.025 10.924 -3.338 1.00 51.20 C ATOM 1020 CE LYS B 184 12.124 11.975 -3.470 1.00 41.21 C ATOM 1021 NZ LYS B 184 13.126 11.632 -4.508 1.00 13.42 N1+ ATOM 0 H LYS B 184 11.546 6.943 -4.372 1.00 31.52 H new ATOM 0 HA LYS B 184 11.592 7.235 -1.494 1.00 55.01 H new ATOM 0 HB2 LYS B 184 9.883 8.481 -3.669 1.00 13.15 H new ATOM 0 HB3 LYS B 184 9.789 8.909 -1.972 1.00 13.15 H new ATOM 0 HG2 LYS B 184 12.153 9.657 -2.020 1.00 23.11 H new ATOM 0 HG3 LYS B 184 12.266 9.211 -3.711 1.00 23.11 H new ATOM 0 HD2 LYS B 184 10.492 10.836 -4.285 1.00 51.20 H new ATOM 0 HD3 LYS B 184 10.299 11.250 -2.593 1.00 51.20 H new ATOM 0 HE2 LYS B 184 11.673 12.937 -3.711 1.00 41.21 H new ATOM 0 HE3 LYS B 184 12.627 12.090 -2.510 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 13.769 12.437 -4.650 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 13.673 10.802 -4.202 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 12.640 11.416 -5.402 1.00 13.42 H new ATOM 1035 N ILE B 185 9.449 5.375 -2.913 1.00 60.21 N ATOM 1036 CA ILE B 185 8.368 4.407 -2.778 1.00 75.21 C ATOM 1037 C ILE B 185 8.486 3.531 -1.488 1.00 0.43 C ATOM 1038 O ILE B 185 7.482 3.070 -0.946 1.00 60.43 O ATOM 1039 CB ILE B 185 8.270 3.559 -4.084 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.613 4.389 -5.179 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.541 2.244 -3.899 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.183 4.769 -4.904 1.00 52.31 C ATOM 0 H ILE B 185 9.939 5.302 -3.804 1.00 60.21 H new ATOM 0 HA ILE B 185 7.433 4.952 -2.648 1.00 75.21 H new ATOM 0 HB ILE B 185 9.288 3.295 -4.372 1.00 72.20 H new ATOM 0 HG12 ILE B 185 8.195 5.299 -5.326 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.653 3.830 -6.114 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.511 1.708 -4.848 1.00 64.03 H new ATOM 0 HG22 ILE B 185 8.063 1.640 -3.157 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.523 2.437 -3.559 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.797 5.358 -5.736 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.583 3.867 -4.788 1.00 52.31 H new ATOM 0 HD13 ILE B 185 6.133 5.358 -3.988 1.00 52.31 H new ATOM 1054 N GLN B 186 9.704 3.365 -0.975 1.00 51.04 N ATOM 1055 CA GLN B 186 9.934 2.621 0.287 1.00 13.34 C ATOM 1056 C GLN B 186 9.166 3.239 1.461 1.00 43.21 C ATOM 1057 O GLN B 186 8.659 2.537 2.337 1.00 14.42 O ATOM 1058 CB GLN B 186 11.422 2.581 0.621 1.00 3.31 C ATOM 1059 CG GLN B 186 12.229 1.701 -0.302 1.00 30.13 C ATOM 1060 CD GLN B 186 11.833 0.247 -0.184 1.00 33.34 C ATOM 1061 OE1 GLN B 186 10.934 -0.225 -0.875 1.00 41.14 O ATOM 1062 NE2 GLN B 186 12.490 -0.472 0.679 1.00 12.44 N ATOM 0 H GLN B 186 10.554 3.731 -1.405 1.00 51.04 H new ATOM 0 HA GLN B 186 9.565 1.607 0.133 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.821 3.595 0.583 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.546 2.228 1.645 1.00 3.31 H new ATOM 0 HG2 GLN B 186 12.092 2.032 -1.331 1.00 30.13 H new ATOM 0 HG3 GLN B 186 13.289 1.808 -0.071 1.00 30.13 H new ATOM 0 HE21 GLN B 186 13.231 -0.048 1.237 1.00 12.44 H new ATOM 0 HE22 GLN B 186 12.264 -1.460 0.797 1.00 12.44 H new ATOM 1071 N LYS B 187 9.050 4.551 1.447 1.00 22.52 N ATOM 1072 CA LYS B 187 8.368 5.279 2.498 1.00 74.33 C ATOM 1073 C LYS B 187 6.852 5.070 2.397 1.00 72.42 C ATOM 1074 O LYS B 187 6.119 5.179 3.382 1.00 44.24 O ATOM 1075 CB LYS B 187 8.725 6.748 2.391 1.00 51.52 C ATOM 1076 CG LYS B 187 8.244 7.594 3.553 1.00 61.53 C ATOM 1077 CD LYS B 187 8.670 9.031 3.385 1.00 22.21 C ATOM 1078 CE LYS B 187 10.194 9.189 3.411 1.00 31.44 C ATOM 1079 NZ LYS B 187 10.606 10.606 3.366 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.426 5.143 0.706 1.00 22.52 H new ATOM 0 HA LYS B 187 8.687 4.906 3.471 1.00 74.33 H new ATOM 0 HB2 LYS B 187 9.808 6.842 2.313 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.303 7.146 1.468 1.00 51.52 H new ATOM 0 HG2 LYS B 187 7.158 7.538 3.623 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.645 7.198 4.486 1.00 61.53 H new ATOM 0 HD2 LYS B 187 8.283 9.415 2.441 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.230 9.634 4.179 1.00 22.21 H new ATOM 0 HE2 LYS B 187 10.591 8.725 4.314 1.00 31.44 H new ATOM 0 HE3 LYS B 187 10.628 8.659 2.563 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 11.644 10.666 3.385 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 10.250 11.043 2.492 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 10.215 11.108 4.189 1.00 31.33 H new ATOM 1093 N GLU B 188 6.410 4.703 1.220 1.00 1.40 N ATOM 1094 CA GLU B 188 5.005 4.503 0.949 1.00 41.11 C ATOM 1095 C GLU B 188 4.619 3.063 1.331 1.00 55.30 C ATOM 1096 O GLU B 188 3.622 2.832 2.004 1.00 1.32 O ATOM 1097 CB GLU B 188 4.741 4.726 -0.542 1.00 0.21 C ATOM 1098 CG GLU B 188 5.355 6.002 -1.120 1.00 71.14 C ATOM 1099 CD GLU B 188 4.855 7.289 -0.492 1.00 11.41 C ATOM 1100 OE1 GLU B 188 5.477 7.766 0.466 1.00 62.41 O1- ATOM 1101 OE2 GLU B 188 3.882 7.883 -0.996 1.00 31.44 O ATOM 0 H GLU B 188 7.016 4.533 0.418 1.00 1.40 H new ATOM 0 HA GLU B 188 4.411 5.208 1.531 1.00 41.11 H new ATOM 0 HB2 GLU B 188 5.127 3.871 -1.097 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.664 4.752 -0.706 1.00 0.21 H new ATOM 0 HG2 GLU B 188 6.438 5.953 -1.002 1.00 71.14 H new ATOM 0 HG3 GLU B 188 5.152 6.034 -2.190 1.00 71.14 H new ATOM 1108 N ALA B 189 5.465 2.113 0.917 1.00 22.15 N ATOM 1109 CA ALA B 189 5.277 0.661 1.141 1.00 34.34 C ATOM 1110 C ALA B 189 5.028 0.320 2.603 1.00 10.01 C ATOM 1111 O ALA B 189 4.137 -0.474 2.940 1.00 70.11 O ATOM 1112 CB ALA B 189 6.513 -0.082 0.676 1.00 52.44 C ATOM 0 H ALA B 189 6.320 2.329 0.405 1.00 22.15 H new ATOM 0 HA ALA B 189 4.397 0.361 0.573 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.378 -1.151 0.840 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.672 0.105 -0.386 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.379 0.265 1.239 1.00 52.44 H new ATOM 1118 N GLN B 190 5.809 0.941 3.457 1.00 64.45 N ATOM 1119 CA GLN B 190 5.774 0.723 4.890 1.00 73.23 C ATOM 1120 C GLN B 190 4.426 0.988 5.537 1.00 61.30 C ATOM 1121 O GLN B 190 4.190 0.508 6.630 1.00 21.21 O ATOM 1122 CB GLN B 190 6.806 1.570 5.572 1.00 2.33 C ATOM 1123 CG GLN B 190 8.216 1.235 5.209 1.00 20.12 C ATOM 1124 CD GLN B 190 9.159 2.174 5.877 1.00 2.31 C ATOM 1125 OE1 GLN B 190 9.471 3.238 5.208 1.00 32.22 O flip ATOM 1126 NE2 GLN B 190 9.611 1.936 6.993 1.00 62.14 N flip ATOM 0 H GLN B 190 6.505 1.630 3.170 1.00 64.45 H new ATOM 0 HA GLN B 190 5.983 -0.339 5.018 1.00 73.23 H new ATOM 0 HB2 GLN B 190 6.619 2.616 5.328 1.00 2.33 H new ATOM 0 HB3 GLN B 190 6.687 1.468 6.651 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.441 0.211 5.505 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.343 1.289 4.128 1.00 20.12 H new ATOM 0 HE21 GLN B 190 9.337 1.085 7.483 1.00 62.14 H new ATOM 0 HE22 GLN B 190 10.261 2.590 7.430 1.00 62.14 H new ATOM 1135 N GLU B 191 3.569 1.749 4.883 1.00 20.43 N ATOM 1136 CA GLU B 191 2.306 2.178 5.473 1.00 21.04 C ATOM 1137 C GLU B 191 1.428 0.975 5.885 1.00 11.53 C ATOM 1138 O GLU B 191 1.170 0.766 7.076 1.00 43.14 O ATOM 1139 CB GLU B 191 1.590 3.107 4.488 1.00 13.23 C ATOM 1140 CG GLU B 191 0.733 4.164 5.142 1.00 73.14 C ATOM 1141 CD GLU B 191 -0.582 3.706 5.660 1.00 25.30 C ATOM 1142 OE1 GLU B 191 -0.642 3.224 6.797 1.00 14.54 O1- ATOM 1143 OE2 GLU B 191 -1.594 3.922 4.982 1.00 63.00 O ATOM 0 H GLU B 191 3.723 2.088 3.933 1.00 20.43 H new ATOM 0 HA GLU B 191 2.506 2.727 6.393 1.00 21.04 H new ATOM 0 HB2 GLU B 191 2.335 3.597 3.861 1.00 13.23 H new ATOM 0 HB3 GLU B 191 0.964 2.505 3.828 1.00 13.23 H new ATOM 0 HG2 GLU B 191 1.295 4.600 5.968 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.559 4.961 4.419 1.00 73.14 H new ATOM 1150 N ALA B 192 1.052 0.143 4.929 1.00 12.05 N ATOM 1151 CA ALA B 192 0.202 -1.005 5.246 1.00 52.44 C ATOM 1152 C ALA B 192 1.036 -2.140 5.846 1.00 63.31 C ATOM 1153 O ALA B 192 0.506 -2.987 6.570 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.575 -1.499 4.008 1.00 12.11 C ATOM 0 H ALA B 192 1.311 0.232 3.947 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.530 -0.679 5.984 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -1.195 -2.352 4.284 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -1.209 -0.696 3.632 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.129 -1.798 3.232 1.00 12.11 H new ATOM 1160 N LEU B 193 2.353 -2.115 5.556 1.00 21.32 N ATOM 1161 CA LEU B 193 3.322 -3.103 6.029 1.00 65.15 C ATOM 1162 C LEU B 193 3.212 -3.182 7.522 1.00 0.51 C ATOM 1163 O LEU B 193 2.904 -4.217 8.100 1.00 31.01 O ATOM 1164 CB LEU B 193 4.728 -2.571 5.660 1.00 24.10 C ATOM 1165 CG LEU B 193 5.958 -3.466 5.900 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.120 -2.987 5.042 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.372 -3.385 7.363 1.00 3.03 C ATOM 0 H LEU B 193 2.773 -1.390 4.974 1.00 21.32 H new ATOM 0 HA LEU B 193 3.147 -4.084 5.588 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.713 -2.312 4.601 1.00 24.10 H new ATOM 0 HB3 LEU B 193 4.884 -1.645 6.213 1.00 24.10 H new ATOM 0 HG LEU B 193 5.702 -4.493 5.639 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.987 -3.624 5.216 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.839 -3.035 3.990 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.367 -1.958 5.305 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.243 -4.019 7.530 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.620 -2.354 7.614 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.550 -3.724 7.993 1.00 3.03 H new ATOM 1179 N GLU B 194 3.437 -2.040 8.091 1.00 32.42 N ATOM 1180 CA GLU B 194 3.432 -1.737 9.416 1.00 1.13 C ATOM 1181 C GLU B 194 2.213 -2.256 10.129 1.00 25.31 C ATOM 1182 O GLU B 194 2.284 -3.033 11.077 1.00 45.10 O ATOM 1183 CB GLU B 194 3.369 -0.255 9.359 1.00 42.50 C ATOM 1184 CG GLU B 194 3.200 0.345 10.648 1.00 61.52 C ATOM 1185 CD GLU B 194 3.216 1.840 10.631 1.00 43.35 C ATOM 1186 OE1 GLU B 194 2.145 2.456 10.469 1.00 73.13 O ATOM 1187 OE2 GLU B 194 4.308 2.436 10.771 1.00 14.30 O1- ATOM 0 H GLU B 194 3.653 -1.218 7.528 1.00 32.42 H new ATOM 0 HA GLU B 194 4.278 -2.166 9.953 1.00 1.13 H new ATOM 0 HB2 GLU B 194 4.283 0.125 8.904 1.00 42.50 H new ATOM 0 HB3 GLU B 194 2.543 0.044 8.713 1.00 42.50 H new ATOM 0 HG2 GLU B 194 2.255 0.007 11.073 1.00 61.52 H new ATOM 0 HG3 GLU B 194 3.992 -0.009 11.308 1.00 61.52 H new ATOM 1194 N LYS B 195 1.140 -1.794 9.647 1.00 35.45 N ATOM 1195 CA LYS B 195 -0.129 -1.992 10.173 1.00 0.22 C ATOM 1196 C LYS B 195 -0.636 -3.432 10.147 1.00 34.32 C ATOM 1197 O LYS B 195 -1.352 -3.846 11.076 1.00 24.42 O ATOM 1198 CB LYS B 195 -1.038 -1.014 9.491 1.00 52.22 C ATOM 1199 CG LYS B 195 -0.778 0.409 9.940 1.00 23.11 C ATOM 1200 CD LYS B 195 -1.768 1.377 9.361 1.00 42.32 C ATOM 1201 CE LYS B 195 -1.495 2.790 9.850 1.00 61.10 C ATOM 1202 NZ LYS B 195 -0.190 3.304 9.379 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.130 -1.220 8.804 1.00 35.45 H new ATOM 0 HA LYS B 195 -0.099 -1.805 11.246 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.902 -1.084 8.412 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -2.075 -1.276 9.700 1.00 52.22 H new ATOM 0 HG2 LYS B 195 -0.819 0.458 11.028 1.00 23.11 H new ATOM 0 HG3 LYS B 195 0.229 0.703 9.645 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -1.717 1.348 8.273 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -2.779 1.080 9.640 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -2.290 3.452 9.505 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -1.518 2.806 10.940 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 -0.154 4.335 9.513 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 0.576 2.857 9.922 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 -0.073 3.082 8.370 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.305 -4.204 9.130 1.00 42.45 N ATOM 1217 CA LEU B 196 -0.757 -5.519 9.100 1.00 65.11 C ATOM 1218 C LEU B 196 0.211 -6.457 9.807 1.00 32.01 C ATOM 1219 O LEU B 196 -0.214 -7.381 10.500 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.003 -5.949 7.661 1.00 75.42 C ATOM 1221 CG LEU B 196 0.178 -6.417 6.797 1.00 24.30 C ATOM 1222 CD1 LEU B 196 0.330 -7.931 6.896 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.006 -5.988 5.356 1.00 63.35 C ATOM 0 H LEU B 196 0.270 -3.918 8.338 1.00 42.45 H new ATOM 0 HA LEU B 196 -1.701 -5.574 9.643 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.732 -6.759 7.683 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.472 -5.111 7.146 1.00 75.42 H new ATOM 0 HG LEU B 196 1.086 -5.947 7.174 1.00 24.30 H new ATOM 0 HD11 LEU B 196 1.170 -8.253 6.280 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.512 -8.211 7.933 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.583 -8.412 6.545 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.857 -6.334 4.769 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.911 -6.420 4.955 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.053 -4.901 5.305 1.00 63.35 H new ATOM 1235 N GLN B 197 1.498 -6.210 9.632 1.00 54.12 N ATOM 1236 CA GLN B 197 2.521 -7.093 10.151 1.00 1.52 C ATOM 1237 C GLN B 197 2.658 -7.031 11.656 1.00 14.31 C ATOM 1238 O GLN B 197 2.469 -5.982 12.279 1.00 23.34 O ATOM 1239 CB GLN B 197 3.874 -6.880 9.479 1.00 12.04 C ATOM 1240 CG GLN B 197 3.917 -7.313 8.023 1.00 14.33 C ATOM 1241 CD GLN B 197 5.288 -7.148 7.409 1.00 33.32 C ATOM 1242 OE1 GLN B 197 6.310 -7.240 8.098 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.332 -6.933 6.126 1.00 34.25 N ATOM 0 H GLN B 197 1.858 -5.398 9.130 1.00 54.12 H new ATOM 0 HA GLN B 197 2.177 -8.097 9.902 1.00 1.52 H new ATOM 0 HB2 GLN B 197 4.136 -5.824 9.541 1.00 12.04 H new ATOM 0 HB3 GLN B 197 4.634 -7.430 10.034 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.613 -8.357 7.949 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.195 -6.729 7.452 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.467 -6.863 5.591 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.232 -6.834 5.656 1.00 34.25 H new ATOM 1252 N SER B 198 2.991 -8.155 12.220 1.00 33.54 N ATOM 1253 CA SER B 198 3.156 -8.306 13.630 1.00 12.43 C ATOM 1254 C SER B 198 4.483 -7.696 14.078 1.00 1.54 C ATOM 1255 O SER B 198 5.526 -7.929 13.465 1.00 24.20 O ATOM 1256 CB SER B 198 3.136 -9.794 13.955 1.00 25.00 C ATOM 1257 OG SER B 198 2.008 -10.418 13.361 1.00 4.45 O ATOM 0 H SER B 198 3.159 -9.013 11.695 1.00 33.54 H new ATOM 0 HA SER B 198 2.350 -7.792 14.154 1.00 12.43 H new ATOM 0 HB2 SER B 198 4.051 -10.263 13.593 1.00 25.00 H new ATOM 0 HB3 SER B 198 3.110 -9.936 15.035 1.00 25.00 H new ATOM 0 HG SER B 198 2.011 -11.374 13.578 1.00 4.45 H new ATOM 1263 N HIS B 199 4.429 -6.892 15.095 1.00 64.41 N ATOM 1264 CA HIS B 199 5.604 -6.323 15.690 1.00 72.30 C ATOM 1265 C HIS B 199 5.652 -6.778 17.118 1.00 63.44 C ATOM 1266 O HIS B 199 4.988 -6.166 17.968 1.00 64.51 O ATOM 1267 CB HIS B 199 5.620 -4.784 15.613 1.00 55.12 C ATOM 1268 CG HIS B 199 5.740 -4.219 14.225 1.00 44.44 C ATOM 1269 ND1 HIS B 199 4.896 -3.255 13.727 1.00 1.01 N ATOM 1270 CD2 HIS B 199 6.652 -4.444 13.250 1.00 11.40 C ATOM 1271 CE1 HIS B 199 5.278 -2.914 12.521 1.00 1.32 C ATOM 1272 NE2 HIS B 199 6.344 -3.618 12.200 1.00 12.31 N ATOM 0 H HIS B 199 3.558 -6.607 15.543 1.00 64.41 H new ATOM 0 HA HIS B 199 6.482 -6.661 15.139 1.00 72.30 H new ATOM 0 HB2 HIS B 199 4.705 -4.403 16.066 1.00 55.12 H new ATOM 0 HB3 HIS B 199 6.451 -4.414 16.213 1.00 55.12 H new ATOM 0 HD2 HIS B 199 7.472 -5.146 13.292 1.00 11.40 H new ATOM 0 HE1 HIS B 199 4.798 -2.177 11.894 1.00 1.32 H new ATOM 0 HE2 HIS B 199 6.854 -3.559 11.319 1.00 12.31 H new