USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN :FLIP amide:sc= -1.93! C(o=-9.4!,f=-5.1!) USER MOD Set 1.2: A 93 GLN : amide:sc= -3.15! C(o=-5.1!,f=-5.4!) USER MOD Set 1.3: A 96 GLN :FLIP amide:sc= 0 F(o=-6.4!,f=-5.1) USER MOD Set 2.1: A 46 SER OG : rot -78:sc= 1.19 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.903 K(o=2.1,f=-0.74!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.649 F(o=-2.8!,f=-0.65) USER MOD Single : A 21 THR OG1 : rot -57:sc= 0.181! USER MOD Single : A 25 SER OG : rot -140:sc= -1.79 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 27 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-7.3!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -5.53! C(o=-9!,f=-5.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.941 F(o=-2.5!,f=-0.94) USER MOD Single : A 55 GLN : amide:sc= -6.8! C(o=-6.8!,f=-7!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 141:sc= -2.04! (180deg=-2.89!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.522 USER MOD Single : A 82 SER OG : rot 71:sc= -4.26! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.31 F(o=-2.4!,f=-0.31) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.0258 F(o=-1.6!,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.819 -4.271 16.826 1.00 0.00 N ATOM 133 CA GLN A 11 -2.755 -3.375 16.396 1.00 0.00 C ATOM 134 C GLN A 11 -2.994 -2.896 14.965 1.00 0.00 C ATOM 135 O GLN A 11 -3.509 -3.640 14.130 1.00 0.00 O ATOM 136 CB GLN A 11 -1.409 -4.096 16.485 1.00 0.00 C ATOM 137 CG GLN A 11 -1.234 -4.671 17.892 1.00 0.00 C ATOM 138 CD GLN A 11 -0.479 -5.995 17.829 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.993 -7.024 18.270 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.715 -6.030 17.307 1.00 0.00 N ATOM 0 HA GLN A 11 -2.747 -2.505 17.052 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.362 -4.895 15.745 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.598 -3.404 16.259 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.690 -3.963 18.517 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.209 -4.822 18.355 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.138 -5.176 16.943 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.227 -6.911 17.263 1.00 0.00 H new ATOM 149 N PRO A 12 -2.628 -1.673 14.673 1.00 0.00 N ATOM 150 CA PRO A 12 -2.804 -1.082 13.317 1.00 0.00 C ATOM 151 C PRO A 12 -2.236 -1.983 12.221 1.00 0.00 C ATOM 152 O PRO A 12 -1.500 -2.928 12.501 1.00 0.00 O ATOM 153 CB PRO A 12 -2.041 0.249 13.362 1.00 0.00 C ATOM 154 CG PRO A 12 -1.443 0.381 14.729 1.00 0.00 C ATOM 155 CD PRO A 12 -2.014 -0.727 15.611 1.00 0.00 C ATOM 0 HA PRO A 12 -3.860 -0.955 13.079 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.262 0.270 12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.712 1.083 13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.357 0.304 14.677 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.673 1.359 15.151 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.232 -1.206 16.201 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.748 -0.334 16.314 1.00 0.00 H new ATOM 163 N LEU A 13 -2.583 -1.678 10.973 1.00 0.00 N ATOM 164 CA LEU A 13 -2.102 -2.460 9.840 1.00 0.00 C ATOM 165 C LEU A 13 -0.712 -1.987 9.439 1.00 0.00 C ATOM 166 O LEU A 13 -0.461 -0.785 9.355 1.00 0.00 O ATOM 167 CB LEU A 13 -3.051 -2.287 8.654 1.00 0.00 C ATOM 168 CG LEU A 13 -2.782 -3.366 7.608 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.897 -3.332 6.567 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.446 -3.097 6.915 1.00 0.00 C ATOM 0 H LEU A 13 -3.192 -0.899 10.723 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.061 -3.511 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.085 -2.348 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.918 -1.299 8.212 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.746 -4.341 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.715 -4.099 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.854 -3.520 7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.919 -2.353 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.260 -3.871 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.479 -2.123 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.645 -3.105 7.654 1.00 0.00 H new ATOM 182 N LEU A 14 0.192 -2.928 9.191 1.00 0.00 N ATOM 183 CA LEU A 14 1.540 -2.570 8.802 1.00 0.00 C ATOM 184 C LEU A 14 1.688 -2.610 7.288 1.00 0.00 C ATOM 185 O LEU A 14 1.653 -3.676 6.670 1.00 0.00 O ATOM 186 CB LEU A 14 2.521 -3.536 9.450 1.00 0.00 C ATOM 187 CG LEU A 14 2.248 -3.587 10.952 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.427 -4.254 11.661 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.058 -2.164 11.486 1.00 0.00 C ATOM 0 H LEU A 14 0.014 -3.931 9.253 1.00 0.00 H new ATOM 0 HA LEU A 14 1.751 -1.555 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.415 -4.529 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.546 -3.214 9.264 1.00 0.00 H new ATOM 0 HG LEU A 14 1.342 -4.164 11.139 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.233 -4.291 12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.555 -5.267 11.280 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.335 -3.680 11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.863 -2.201 12.558 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.961 -1.582 11.301 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.214 -1.695 10.980 1.00 0.00 H new ATOM 201 N LEU A 15 1.851 -1.433 6.701 1.00 0.00 N ATOM 202 CA LEU A 15 2.002 -1.315 5.261 1.00 0.00 C ATOM 203 C LEU A 15 3.266 -0.517 4.952 1.00 0.00 C ATOM 204 O LEU A 15 3.486 0.549 5.525 1.00 0.00 O ATOM 205 CB LEU A 15 0.761 -0.607 4.697 1.00 0.00 C ATOM 206 CG LEU A 15 0.652 -0.809 3.185 1.00 0.00 C ATOM 207 CD1 LEU A 15 1.846 -0.147 2.499 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.623 -2.308 2.863 1.00 0.00 C ATOM 0 H LEU A 15 1.882 -0.545 7.203 1.00 0.00 H new ATOM 0 HA LEU A 15 2.093 -2.299 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.135 -0.993 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.812 0.458 4.922 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.269 -0.354 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.771 -0.289 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.850 0.919 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.770 -0.598 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.545 -2.447 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.539 -2.775 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.236 -2.768 3.351 1.00 0.00 H new ATOM 220 N GLN A 16 4.100 -1.037 4.055 1.00 0.00 N ATOM 221 CA GLN A 16 5.338 -0.350 3.709 1.00 0.00 C ATOM 222 C GLN A 16 5.466 -0.164 2.205 1.00 0.00 C ATOM 223 O GLN A 16 4.824 -0.863 1.421 1.00 0.00 O ATOM 224 CB GLN A 16 6.539 -1.137 4.235 1.00 0.00 C ATOM 225 CG GLN A 16 6.628 -0.974 5.751 1.00 0.00 C ATOM 226 CD GLN A 16 7.826 -1.750 6.287 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.509 -2.517 5.480 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 8.148 -1.658 7.472 1.00 0.00 N flip ATOM 0 H GLN A 16 3.944 -1.917 3.563 1.00 0.00 H new ATOM 0 HA GLN A 16 5.315 0.636 4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.438 -2.191 3.977 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.456 -0.780 3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.723 0.081 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.712 -1.334 6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.613 -1.059 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.949 -2.181 7.825 1.00 0.00 H new ATOM 237 N LEU A 17 6.296 0.794 1.816 1.00 0.00 N ATOM 238 CA LEU A 17 6.507 1.089 0.407 1.00 0.00 C ATOM 239 C LEU A 17 7.992 1.299 0.117 1.00 0.00 C ATOM 240 O LEU A 17 8.645 2.126 0.752 1.00 0.00 O ATOM 241 CB LEU A 17 5.721 2.350 0.042 1.00 0.00 C ATOM 242 CG LEU A 17 5.887 2.664 -1.446 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.967 1.763 -2.270 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.513 4.127 -1.692 1.00 0.00 C ATOM 0 H LEU A 17 6.833 1.379 2.456 1.00 0.00 H new ATOM 0 HA LEU A 17 6.159 0.247 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.666 2.210 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.071 3.191 0.640 1.00 0.00 H new ATOM 0 HG LEU A 17 6.921 2.489 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.089 1.990 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.224 0.719 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.931 1.937 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.629 4.359 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.477 4.293 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.166 4.773 -1.106 1.00 0.00 H new ATOM 256 N PHE A 18 8.519 0.555 -0.852 1.00 0.00 N ATOM 257 CA PHE A 18 9.928 0.686 -1.216 1.00 0.00 C ATOM 258 C PHE A 18 10.067 1.650 -2.384 1.00 0.00 C ATOM 259 O PHE A 18 9.470 1.446 -3.440 1.00 0.00 O ATOM 260 CB PHE A 18 10.504 -0.679 -1.600 1.00 0.00 C ATOM 261 CG PHE A 18 10.766 -1.475 -0.347 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.722 -1.722 0.550 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.054 -1.954 -0.077 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.965 -2.446 1.721 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.300 -2.684 1.094 1.00 0.00 C ATOM 266 CZ PHE A 18 11.251 -2.927 1.995 1.00 0.00 C ATOM 0 H PHE A 18 8.000 -0.136 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 18 10.480 1.073 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.807 -1.213 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.428 -0.552 -2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.729 -1.354 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.858 -1.761 -0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.160 -2.635 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.292 -3.058 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.436 -3.486 2.901 1.00 0.00 H new ATOM 276 N VAL A 19 10.838 2.716 -2.186 1.00 0.00 N ATOM 277 CA VAL A 19 11.007 3.706 -3.242 1.00 0.00 C ATOM 278 C VAL A 19 12.469 4.101 -3.427 1.00 0.00 C ATOM 279 O VAL A 19 13.294 3.921 -2.531 1.00 0.00 O ATOM 280 CB VAL A 19 10.192 4.951 -2.902 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.771 4.541 -2.511 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.850 5.684 -1.733 1.00 0.00 C ATOM 0 H VAL A 19 11.345 2.913 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 19 10.659 3.260 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 19 10.153 5.609 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.189 5.430 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.302 4.016 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.808 3.884 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.270 6.574 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.888 5.025 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.863 5.976 -2.011 1.00 0.00 H new ATOM 292 N ASP A 20 12.768 4.660 -4.600 1.00 0.00 N ATOM 293 CA ASP A 20 14.120 5.109 -4.910 1.00 0.00 C ATOM 294 C ASP A 20 14.237 6.618 -4.696 1.00 0.00 C ATOM 295 O ASP A 20 15.201 7.242 -5.135 1.00 0.00 O ATOM 296 CB ASP A 20 14.473 4.767 -6.360 1.00 0.00 C ATOM 297 CG ASP A 20 13.593 5.565 -7.315 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.770 6.326 -6.834 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.751 5.399 -8.513 1.00 0.00 O ATOM 0 H ASP A 20 12.091 4.811 -5.348 1.00 0.00 H new ATOM 0 HA ASP A 20 14.815 4.598 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.523 4.989 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.337 3.700 -6.534 1.00 0.00 H new ATOM 304 N THR A 21 13.243 7.187 -4.015 1.00 0.00 N ATOM 305 CA THR A 21 13.220 8.625 -3.729 1.00 0.00 C ATOM 306 C THR A 21 12.814 9.445 -4.956 1.00 0.00 C ATOM 307 O THR A 21 12.837 10.676 -4.919 1.00 0.00 O ATOM 308 CB THR A 21 14.596 9.090 -3.238 1.00 0.00 C ATOM 309 OG1 THR A 21 15.458 9.272 -4.351 1.00 0.00 O ATOM 310 CG2 THR A 21 15.194 8.044 -2.292 1.00 0.00 C ATOM 0 H THR A 21 12.440 6.675 -3.649 1.00 0.00 H new ATOM 0 HA THR A 21 12.475 8.788 -2.951 1.00 0.00 H new ATOM 0 HB THR A 21 14.486 10.033 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.510 8.439 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.171 8.382 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.534 7.909 -1.435 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.303 7.096 -2.819 1.00 0.00 H new ATOM 318 N ARG A 22 12.426 8.767 -6.033 1.00 0.00 N ATOM 319 CA ARG A 22 12.000 9.459 -7.251 1.00 0.00 C ATOM 320 C ARG A 22 10.606 10.059 -7.057 1.00 0.00 C ATOM 321 O ARG A 22 9.784 9.511 -6.326 1.00 0.00 O ATOM 322 CB ARG A 22 11.972 8.480 -8.423 1.00 0.00 C ATOM 323 CG ARG A 22 10.719 7.614 -8.314 1.00 0.00 C ATOM 324 CD ARG A 22 10.833 6.414 -9.255 1.00 0.00 C ATOM 325 NE ARG A 22 11.231 6.844 -10.588 1.00 0.00 N ATOM 326 CZ ARG A 22 11.231 5.993 -11.609 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.197 5.222 -11.815 1.00 0.00 N ATOM 328 NH2 ARG A 22 12.264 5.924 -12.403 1.00 0.00 N ATOM 0 H ARG A 22 12.397 7.749 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 22 12.709 10.260 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.974 9.023 -9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.865 7.855 -8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.591 7.271 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.837 8.202 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.562 5.705 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.877 5.892 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 22 11.514 7.812 -10.740 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.391 5.273 -11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.196 4.569 -12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.073 6.524 -12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.263 5.270 -13.186 1.00 0.00 H new ATOM 342 N PRO A 23 10.333 11.172 -7.689 1.00 0.00 N ATOM 343 CA PRO A 23 9.014 11.856 -7.572 1.00 0.00 C ATOM 344 C PRO A 23 7.848 10.921 -7.878 1.00 0.00 C ATOM 345 O PRO A 23 6.806 10.992 -7.231 1.00 0.00 O ATOM 346 CB PRO A 23 9.055 12.984 -8.607 1.00 0.00 C ATOM 347 CG PRO A 23 10.373 12.902 -9.310 1.00 0.00 C ATOM 348 CD PRO A 23 11.254 11.893 -8.569 1.00 0.00 C ATOM 0 HA PRO A 23 8.857 12.213 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.235 12.882 -9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.939 13.953 -8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.232 12.593 -10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.853 13.880 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.750 11.215 -9.264 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.036 12.394 -7.999 1.00 0.00 H new ATOM 356 N LEU A 24 8.027 10.050 -8.869 1.00 0.00 N ATOM 357 CA LEU A 24 6.969 9.119 -9.244 1.00 0.00 C ATOM 358 C LEU A 24 6.512 8.331 -8.022 1.00 0.00 C ATOM 359 O LEU A 24 5.315 8.166 -7.790 1.00 0.00 O ATOM 360 CB LEU A 24 7.473 8.158 -10.320 1.00 0.00 C ATOM 361 CG LEU A 24 6.360 7.187 -10.708 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.331 7.902 -11.585 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.966 6.013 -11.478 1.00 0.00 C ATOM 0 H LEU A 24 8.882 9.971 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 24 6.126 9.685 -9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.802 8.718 -11.196 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.338 7.606 -9.952 1.00 0.00 H new ATOM 0 HG LEU A 24 5.866 6.820 -9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.539 7.205 -11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.903 8.739 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.817 8.272 -12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.177 5.315 -11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.459 6.383 -12.377 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.695 5.502 -10.848 1.00 0.00 H new ATOM 375 N SER A 25 7.473 7.861 -7.231 1.00 0.00 N ATOM 376 CA SER A 25 7.146 7.111 -6.026 1.00 0.00 C ATOM 377 C SER A 25 6.375 8.008 -5.069 1.00 0.00 C ATOM 378 O SER A 25 5.357 7.606 -4.506 1.00 0.00 O ATOM 379 CB SER A 25 8.419 6.613 -5.351 1.00 0.00 C ATOM 380 OG SER A 25 9.201 5.893 -6.293 1.00 0.00 O ATOM 0 H SER A 25 8.471 7.985 -7.401 1.00 0.00 H new ATOM 0 HA SER A 25 6.534 6.250 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.988 7.455 -4.957 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.169 5.973 -4.505 1.00 0.00 H new ATOM 0 HG SER A 25 9.594 5.107 -5.859 1.00 0.00 H new ATOM 386 N GLN A 26 6.848 9.243 -4.920 1.00 0.00 N ATOM 387 CA GLN A 26 6.170 10.205 -4.068 1.00 0.00 C ATOM 388 C GLN A 26 4.800 10.473 -4.665 1.00 0.00 C ATOM 389 O GLN A 26 3.819 10.703 -3.959 1.00 0.00 O ATOM 390 CB GLN A 26 6.970 11.509 -3.999 1.00 0.00 C ATOM 391 CG GLN A 26 8.323 11.247 -3.338 1.00 0.00 C ATOM 392 CD GLN A 26 9.128 12.541 -3.266 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.633 13.604 -3.640 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.351 12.512 -2.811 1.00 0.00 N ATOM 0 H GLN A 26 7.690 9.595 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 26 6.076 9.809 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.116 11.911 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.416 12.258 -3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.176 10.845 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.875 10.497 -3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.759 11.630 -2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.898 13.371 -2.765 1.00 0.00 H new ATOM 403 N HIS A 27 4.763 10.421 -5.991 1.00 0.00 N ATOM 404 CA HIS A 27 3.540 10.633 -6.747 1.00 0.00 C ATOM 405 C HIS A 27 2.560 9.503 -6.446 1.00 0.00 C ATOM 406 O HIS A 27 1.433 9.727 -5.990 1.00 0.00 O ATOM 407 CB HIS A 27 3.901 10.620 -8.233 1.00 0.00 C ATOM 408 CG HIS A 27 3.012 11.541 -9.011 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.728 11.869 -8.608 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.229 12.216 -10.181 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.223 12.713 -9.527 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.097 12.957 -10.510 1.00 0.00 N ATOM 0 H HIS A 27 5.581 10.231 -6.570 1.00 0.00 H new ATOM 0 HA HIS A 27 3.078 11.583 -6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.941 10.920 -8.361 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.811 9.606 -8.624 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.139 12.180 -10.761 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.233 13.141 -9.477 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.963 13.556 -11.324 1.00 0.00 H new ATOM 420 N ILE A 28 3.021 8.279 -6.682 1.00 0.00 N ATOM 421 CA ILE A 28 2.211 7.101 -6.419 1.00 0.00 C ATOM 422 C ILE A 28 1.913 6.997 -4.929 1.00 0.00 C ATOM 423 O ILE A 28 0.856 6.507 -4.532 1.00 0.00 O ATOM 424 CB ILE A 28 2.940 5.847 -6.905 1.00 0.00 C ATOM 425 CG1 ILE A 28 2.956 5.839 -8.438 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.222 4.601 -6.389 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.794 4.660 -8.938 1.00 0.00 C ATOM 0 H ILE A 28 3.950 8.080 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 28 1.268 7.188 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 28 3.963 5.848 -6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.939 5.763 -8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.369 6.776 -8.812 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.744 3.710 -6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.211 4.613 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.198 4.591 -6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.804 4.657 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.814 4.755 -8.566 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.362 3.727 -8.576 1.00 0.00 H new ATOM 439 N VAL A 29 2.846 7.477 -4.109 1.00 0.00 N ATOM 440 CA VAL A 29 2.654 7.445 -2.666 1.00 0.00 C ATOM 441 C VAL A 29 1.369 8.167 -2.308 1.00 0.00 C ATOM 442 O VAL A 29 0.557 7.666 -1.529 1.00 0.00 O ATOM 443 CB VAL A 29 3.828 8.116 -1.952 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.448 8.381 -0.493 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.050 7.195 -1.996 1.00 0.00 C ATOM 0 H VAL A 29 3.729 7.886 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 29 2.596 6.405 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 29 4.064 9.057 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.283 8.859 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.577 9.035 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.213 7.437 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.886 7.675 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.814 6.254 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.321 7.000 -3.033 1.00 0.00 H new ATOM 455 N GLN A 30 1.178 9.341 -2.898 1.00 0.00 N ATOM 456 CA GLN A 30 -0.031 10.101 -2.641 1.00 0.00 C ATOM 457 C GLN A 30 -1.232 9.277 -3.044 1.00 0.00 C ATOM 458 O GLN A 30 -2.234 9.233 -2.333 1.00 0.00 O ATOM 459 CB GLN A 30 -0.022 11.415 -3.414 1.00 0.00 C ATOM 460 CG GLN A 30 1.058 12.322 -2.840 1.00 0.00 C ATOM 461 CD GLN A 30 0.556 13.758 -2.802 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.536 14.441 -3.826 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.137 14.255 -1.671 1.00 0.00 N ATOM 0 H GLN A 30 1.834 9.778 -3.546 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.081 10.333 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.166 11.228 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.996 11.899 -3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.326 11.994 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.961 12.258 -3.448 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.156 13.685 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.209 15.214 -1.632 1.00 0.00 H new ATOM 472 N ARG A 31 -1.114 8.589 -4.172 1.00 0.00 N ATOM 473 CA ARG A 31 -2.202 7.738 -4.618 1.00 0.00 C ATOM 474 C ARG A 31 -2.442 6.667 -3.567 1.00 0.00 C ATOM 475 O ARG A 31 -3.582 6.331 -3.254 1.00 0.00 O ATOM 476 CB ARG A 31 -1.873 7.098 -5.965 1.00 0.00 C ATOM 477 CG ARG A 31 -1.853 8.185 -7.038 1.00 0.00 C ATOM 478 CD ARG A 31 -1.726 7.540 -8.415 1.00 0.00 C ATOM 479 NE ARG A 31 -1.655 8.564 -9.450 1.00 0.00 N ATOM 480 CZ ARG A 31 -0.504 9.145 -9.768 1.00 0.00 C ATOM 481 NH1 ARG A 31 0.310 8.562 -10.605 1.00 0.00 N ATOM 482 NH2 ARG A 31 -0.186 10.297 -9.245 1.00 0.00 N ATOM 0 H ARG A 31 -0.295 8.603 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.103 8.338 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.906 6.597 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.614 6.338 -6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.766 8.779 -6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.019 8.866 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.833 6.915 -8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.579 6.887 -8.598 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.506 8.840 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.062 7.661 -11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.194 9.007 -10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.822 10.753 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.699 10.742 -9.490 1.00 0.00 H new ATOM 496 N VAL A 32 -1.353 6.161 -2.994 1.00 0.00 N ATOM 497 CA VAL A 32 -1.460 5.162 -1.942 1.00 0.00 C ATOM 498 C VAL A 32 -2.105 5.790 -0.712 1.00 0.00 C ATOM 499 O VAL A 32 -3.075 5.266 -0.168 1.00 0.00 O ATOM 500 CB VAL A 32 -0.072 4.623 -1.578 1.00 0.00 C ATOM 501 CG1 VAL A 32 -0.168 3.784 -0.302 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.457 3.751 -2.721 1.00 0.00 C ATOM 0 H VAL A 32 -0.398 6.424 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.075 4.335 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 32 0.608 5.459 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.819 3.401 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.542 4.403 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.850 2.949 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.444 3.369 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.224 2.916 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.528 4.347 -3.631 1.00 0.00 H new ATOM 512 N LYS A 33 -1.561 6.930 -0.292 1.00 0.00 N ATOM 513 CA LYS A 33 -2.082 7.646 0.863 1.00 0.00 C ATOM 514 C LYS A 33 -3.521 8.090 0.634 1.00 0.00 C ATOM 515 O LYS A 33 -4.358 8.013 1.533 1.00 0.00 O ATOM 516 CB LYS A 33 -1.219 8.877 1.136 1.00 0.00 C ATOM 517 CG LYS A 33 0.177 8.431 1.566 1.00 0.00 C ATOM 518 CD LYS A 33 0.978 9.650 2.018 1.00 0.00 C ATOM 519 CE LYS A 33 2.421 9.237 2.313 1.00 0.00 C ATOM 520 NZ LYS A 33 2.693 9.387 3.769 1.00 0.00 N ATOM 0 H LYS A 33 -0.759 7.376 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.058 6.970 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.156 9.496 0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.674 9.488 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.106 7.706 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.684 7.935 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.960 10.417 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.525 10.086 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.585 8.204 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.112 9.854 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.674 9.106 3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.553 10.379 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.042 8.781 4.308 1.00 0.00 H new ATOM 534 N ASN A 34 -3.791 8.575 -0.571 1.00 0.00 N ATOM 535 CA ASN A 34 -5.121 9.053 -0.912 1.00 0.00 C ATOM 536 C ASN A 34 -6.156 7.937 -0.796 1.00 0.00 C ATOM 537 O ASN A 34 -7.233 8.135 -0.233 1.00 0.00 O ATOM 538 CB ASN A 34 -5.113 9.589 -2.345 1.00 0.00 C ATOM 539 CG ASN A 34 -4.136 10.756 -2.473 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.346 11.052 -1.476 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -4.083 11.410 -3.515 1.00 0.00 N flip ATOM 0 H ASN A 34 -3.108 8.647 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.391 9.845 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.832 8.794 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.115 9.914 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.700 11.179 -4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.422 12.183 -3.599 1.00 0.00 H new ATOM 548 N ILE A 35 -5.827 6.771 -1.340 1.00 0.00 N ATOM 549 CA ILE A 35 -6.746 5.634 -1.301 1.00 0.00 C ATOM 550 C ILE A 35 -6.894 5.075 0.113 1.00 0.00 C ATOM 551 O ILE A 35 -8.011 4.909 0.602 1.00 0.00 O ATOM 552 CB ILE A 35 -6.252 4.535 -2.237 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.214 5.076 -3.670 1.00 0.00 C ATOM 554 CG2 ILE A 35 -7.202 3.335 -2.168 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.473 4.091 -4.573 1.00 0.00 C ATOM 0 H ILE A 35 -4.940 6.586 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.724 5.987 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.253 4.220 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.228 5.229 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.718 6.046 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.847 2.551 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.233 2.954 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.202 3.645 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.448 4.479 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.454 3.960 -4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.988 3.130 -4.563 1.00 0.00 H new ATOM 567 N LEU A 36 -5.772 4.787 0.770 1.00 0.00 N ATOM 568 CA LEU A 36 -5.829 4.251 2.128 1.00 0.00 C ATOM 569 C LEU A 36 -6.557 5.233 3.033 1.00 0.00 C ATOM 570 O LEU A 36 -7.383 4.843 3.860 1.00 0.00 O ATOM 571 CB LEU A 36 -4.418 4.003 2.670 1.00 0.00 C ATOM 572 CG LEU A 36 -3.695 2.974 1.798 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.330 2.659 2.412 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.525 1.692 1.724 1.00 0.00 C ATOM 0 H LEU A 36 -4.832 4.912 0.394 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.366 3.303 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.856 4.937 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.472 3.646 3.699 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.561 3.378 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.813 1.926 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.736 3.571 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.467 2.255 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.009 0.960 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.659 1.287 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.500 1.914 1.289 1.00 0.00 H new ATOM 586 N ALA A 37 -6.258 6.512 2.851 1.00 0.00 N ATOM 587 CA ALA A 37 -6.901 7.555 3.630 1.00 0.00 C ATOM 588 C ALA A 37 -8.363 7.667 3.218 1.00 0.00 C ATOM 589 O ALA A 37 -9.151 8.368 3.855 1.00 0.00 O ATOM 590 CB ALA A 37 -6.196 8.893 3.403 1.00 0.00 C ATOM 0 H ALA A 37 -5.576 6.849 2.172 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.839 7.300 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.687 9.668 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.153 8.811 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.245 9.155 2.346 1.00 0.00 H new ATOM 596 N ALA A 38 -8.713 6.970 2.140 1.00 0.00 N ATOM 597 CA ALA A 38 -10.074 6.991 1.633 1.00 0.00 C ATOM 598 C ALA A 38 -10.923 5.946 2.343 1.00 0.00 C ATOM 599 O ALA A 38 -12.020 5.617 1.891 1.00 0.00 O ATOM 600 CB ALA A 38 -10.079 6.717 0.128 1.00 0.00 C ATOM 0 H ALA A 38 -8.071 6.386 1.604 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.496 7.978 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.104 6.735 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.495 7.483 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.641 5.738 -0.065 1.00 0.00 H new ATOM 606 N VAL A 39 -10.408 5.417 3.446 1.00 0.00 N ATOM 607 CA VAL A 39 -11.142 4.400 4.187 1.00 0.00 C ATOM 608 C VAL A 39 -10.825 4.447 5.685 1.00 0.00 C ATOM 609 O VAL A 39 -11.649 4.049 6.509 1.00 0.00 O ATOM 610 CB VAL A 39 -10.814 3.012 3.630 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.329 2.708 3.829 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.649 1.958 4.359 1.00 0.00 C ATOM 0 H VAL A 39 -9.502 5.669 3.841 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.206 4.604 4.066 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.046 2.992 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.103 1.719 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.731 3.455 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.092 2.733 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.415 0.970 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.419 1.985 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.708 2.167 4.211 1.00 0.00 H new ATOM 622 N GLU A 40 -9.638 4.932 6.035 1.00 0.00 N ATOM 623 CA GLU A 40 -9.244 5.019 7.437 1.00 0.00 C ATOM 624 C GLU A 40 -9.772 3.820 8.226 1.00 0.00 C ATOM 625 O GLU A 40 -9.088 2.804 8.354 1.00 0.00 O ATOM 626 CB GLU A 40 -9.780 6.315 8.049 1.00 0.00 C ATOM 627 CG GLU A 40 -9.203 6.489 9.455 1.00 0.00 C ATOM 628 CD GLU A 40 -9.776 7.744 10.104 1.00 0.00 C ATOM 629 OE1 GLU A 40 -10.507 8.454 9.433 1.00 0.00 O ATOM 630 OE2 GLU A 40 -9.475 7.977 11.263 1.00 0.00 O ATOM 0 H GLU A 40 -8.938 5.268 5.374 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.155 5.015 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.507 7.165 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.869 6.287 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.438 5.616 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.116 6.560 9.405 1.00 0.00 H new ATOM 637 N ALA A 41 -10.986 3.944 8.757 1.00 0.00 N ATOM 638 CA ALA A 41 -11.582 2.861 9.535 1.00 0.00 C ATOM 639 C ALA A 41 -11.070 2.896 10.972 1.00 0.00 C ATOM 640 O ALA A 41 -10.155 3.654 11.292 1.00 0.00 O ATOM 641 CB ALA A 41 -11.232 1.512 8.899 1.00 0.00 C ATOM 0 H ALA A 41 -11.571 4.774 8.664 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.664 2.990 9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.679 0.707 9.483 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.618 1.479 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.149 1.389 8.880 1.00 0.00 H new ATOM 647 N THR A 42 -11.652 2.065 11.832 1.00 0.00 N ATOM 648 CA THR A 42 -11.226 2.014 13.226 1.00 0.00 C ATOM 649 C THR A 42 -9.836 1.400 13.322 1.00 0.00 C ATOM 650 O THR A 42 -9.195 1.441 14.373 1.00 0.00 O ATOM 651 CB THR A 42 -12.211 1.186 14.054 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.386 -0.088 13.448 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.555 1.912 14.135 1.00 0.00 C ATOM 0 H THR A 42 -12.410 1.426 11.592 1.00 0.00 H new ATOM 0 HA THR A 42 -11.200 3.030 13.619 1.00 0.00 H new ATOM 0 HB THR A 42 -11.817 1.054 15.062 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.015 -0.619 13.979 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.254 1.319 14.725 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.415 2.885 14.607 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.955 2.050 13.131 1.00 0.00 H new ATOM 661 N VAL A 43 -9.379 0.840 12.211 1.00 0.00 N ATOM 662 CA VAL A 43 -8.067 0.224 12.153 1.00 0.00 C ATOM 663 C VAL A 43 -7.229 0.884 11.063 1.00 0.00 C ATOM 664 O VAL A 43 -7.054 0.329 9.978 1.00 0.00 O ATOM 665 CB VAL A 43 -8.215 -1.268 11.858 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.535 -2.024 13.151 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.352 -1.476 10.856 1.00 0.00 C ATOM 0 H VAL A 43 -9.902 0.801 11.336 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.567 0.356 13.113 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.282 -1.646 11.441 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.639 -3.087 12.935 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.727 -1.877 13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.467 -1.646 13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.460 -2.540 10.644 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.282 -1.094 11.277 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.125 -0.943 9.933 1.00 0.00 H new ATOM 677 N PRO A 44 -6.725 2.060 11.334 1.00 0.00 N ATOM 678 CA PRO A 44 -5.899 2.817 10.358 1.00 0.00 C ATOM 679 C PRO A 44 -4.658 2.040 9.941 1.00 0.00 C ATOM 680 O PRO A 44 -4.161 1.198 10.688 1.00 0.00 O ATOM 681 CB PRO A 44 -5.510 4.115 11.073 1.00 0.00 C ATOM 682 CG PRO A 44 -6.119 4.083 12.441 1.00 0.00 C ATOM 683 CD PRO A 44 -6.896 2.775 12.603 1.00 0.00 C ATOM 0 HA PRO A 44 -6.454 3.004 9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.426 4.205 11.139 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.868 4.981 10.515 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.342 4.157 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.783 4.936 12.579 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.511 2.190 13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.949 2.967 12.807 1.00 0.00 H new ATOM 691 N ILE A 45 -4.163 2.329 8.745 1.00 0.00 N ATOM 692 CA ILE A 45 -2.979 1.649 8.240 1.00 0.00 C ATOM 693 C ILE A 45 -1.753 2.537 8.382 1.00 0.00 C ATOM 694 O ILE A 45 -1.828 3.751 8.184 1.00 0.00 O ATOM 695 CB ILE A 45 -3.155 1.290 6.765 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.507 0.606 6.560 1.00 0.00 C ATOM 697 CG2 ILE A 45 -2.028 0.337 6.341 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.517 1.619 6.013 1.00 0.00 C ATOM 0 H ILE A 45 -4.559 3.023 8.112 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.843 0.739 8.825 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.117 2.197 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.402 -0.229 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.864 0.194 7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.148 0.077 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.064 0.825 6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.071 -0.569 6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.480 1.130 5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.630 2.439 6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.161 2.010 5.060 1.00 0.00 H new ATOM 710 N SER A 46 -0.624 1.928 8.708 1.00 0.00 N ATOM 711 CA SER A 46 0.611 2.679 8.849 1.00 0.00 C ATOM 712 C SER A 46 1.451 2.519 7.590 1.00 0.00 C ATOM 713 O SER A 46 1.858 1.410 7.244 1.00 0.00 O ATOM 714 CB SER A 46 1.394 2.174 10.061 1.00 0.00 C ATOM 715 OG SER A 46 2.602 2.917 10.184 1.00 0.00 O ATOM 0 H SER A 46 -0.538 0.926 8.878 1.00 0.00 H new ATOM 0 HA SER A 46 0.375 3.733 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.795 2.280 10.965 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.616 1.113 9.948 1.00 0.00 H new ATOM 0 HG SER A 46 3.258 2.585 9.536 1.00 0.00 H new ATOM 721 N LEU A 47 1.704 3.627 6.905 1.00 0.00 N ATOM 722 CA LEU A 47 2.493 3.577 5.682 1.00 0.00 C ATOM 723 C LEU A 47 3.932 3.980 5.978 1.00 0.00 C ATOM 724 O LEU A 47 4.205 5.124 6.340 1.00 0.00 O ATOM 725 CB LEU A 47 1.900 4.530 4.639 1.00 0.00 C ATOM 726 CG LEU A 47 2.188 4.016 3.221 1.00 0.00 C ATOM 727 CD1 LEU A 47 1.945 5.146 2.219 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.644 3.551 3.105 1.00 0.00 C ATOM 0 H LEU A 47 1.380 4.557 7.170 1.00 0.00 H new ATOM 0 HA LEU A 47 2.476 2.559 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.824 4.620 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.324 5.526 4.765 1.00 0.00 H new ATOM 0 HG LEU A 47 1.528 3.174 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.148 4.787 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.908 5.475 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.606 5.982 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.831 3.190 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.311 4.386 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.827 2.746 3.817 1.00 0.00 H new ATOM 740 N GLN A 48 4.851 3.037 5.816 1.00 0.00 N ATOM 741 CA GLN A 48 6.258 3.316 6.065 1.00 0.00 C ATOM 742 C GLN A 48 7.061 3.113 4.788 1.00 0.00 C ATOM 743 O GLN A 48 6.948 2.083 4.127 1.00 0.00 O ATOM 744 CB GLN A 48 6.789 2.398 7.170 1.00 0.00 C ATOM 745 CG GLN A 48 7.131 3.230 8.409 1.00 0.00 C ATOM 746 CD GLN A 48 5.851 3.672 9.110 1.00 0.00 C ATOM 747 OE1 GLN A 48 4.784 3.106 8.870 1.00 0.00 O ATOM 748 NE2 GLN A 48 5.892 4.652 9.971 1.00 0.00 N ATOM 0 H GLN A 48 4.650 2.083 5.517 1.00 0.00 H new ATOM 0 HA GLN A 48 6.361 4.352 6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.043 1.644 7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.674 1.866 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.746 2.644 9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.717 4.102 8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.776 5.120 10.169 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.040 4.950 10.446 1.00 0.00 H new ATOM 757 N VAL A 49 7.863 4.105 4.437 1.00 0.00 N ATOM 758 CA VAL A 49 8.665 4.020 3.226 1.00 0.00 C ATOM 759 C VAL A 49 10.097 3.625 3.543 1.00 0.00 C ATOM 760 O VAL A 49 10.707 4.149 4.474 1.00 0.00 O ATOM 761 CB VAL A 49 8.674 5.362 2.495 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.309 5.188 1.116 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.241 5.871 2.339 1.00 0.00 C ATOM 0 H VAL A 49 7.976 4.970 4.966 1.00 0.00 H new ATOM 0 HA VAL A 49 8.216 3.256 2.591 1.00 0.00 H new ATOM 0 HB VAL A 49 9.252 6.084 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.315 6.145 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.332 4.830 1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.733 4.465 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.250 6.828 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.659 5.150 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.791 5.998 3.324 1.00 0.00 H new ATOM 773 N ILE A 50 10.635 2.718 2.743 1.00 0.00 N ATOM 774 CA ILE A 50 12.005 2.285 2.924 1.00 0.00 C ATOM 775 C ILE A 50 12.805 2.667 1.690 1.00 0.00 C ATOM 776 O ILE A 50 12.418 2.346 0.568 1.00 0.00 O ATOM 777 CB ILE A 50 12.069 0.773 3.135 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.054 0.374 4.210 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.477 0.385 3.591 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.230 -1.105 4.563 1.00 0.00 C ATOM 0 H ILE A 50 10.145 2.272 1.968 1.00 0.00 H new ATOM 0 HA ILE A 50 12.422 2.770 3.807 1.00 0.00 H new ATOM 0 HB ILE A 50 11.836 0.259 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.191 0.989 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.041 0.554 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.526 -0.693 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.200 0.678 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.710 0.894 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.506 -1.385 5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.070 -1.713 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.239 -1.272 4.940 1.00 0.00 H new ATOM 792 N ASN A 51 13.912 3.360 1.895 1.00 0.00 N ATOM 793 CA ASN A 51 14.734 3.781 0.781 1.00 0.00 C ATOM 794 C ASN A 51 15.617 2.624 0.331 1.00 0.00 C ATOM 795 O ASN A 51 16.578 2.260 1.009 1.00 0.00 O ATOM 796 CB ASN A 51 15.604 4.965 1.199 1.00 0.00 C ATOM 797 CG ASN A 51 14.733 6.185 1.489 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.188 6.838 0.500 1.00 0.00 O flip ATOM 799 ND2 ASN A 51 14.551 6.556 2.648 1.00 0.00 N flip ATOM 0 H ASN A 51 14.257 3.639 2.813 1.00 0.00 H new ATOM 0 HA ASN A 51 14.092 4.085 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.184 4.705 2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.317 5.198 0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.978 6.044 3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.973 7.375 2.836 1.00 0.00 H new ATOM 806 N VAL A 52 15.276 2.045 -0.813 1.00 0.00 N ATOM 807 CA VAL A 52 16.033 0.921 -1.344 1.00 0.00 C ATOM 808 C VAL A 52 17.500 1.293 -1.501 1.00 0.00 C ATOM 809 O VAL A 52 18.375 0.427 -1.496 1.00 0.00 O ATOM 810 CB VAL A 52 15.452 0.498 -2.695 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.999 0.052 -2.507 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.500 1.684 -3.665 1.00 0.00 C ATOM 0 H VAL A 52 14.484 2.334 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 52 15.961 0.088 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 52 16.037 -0.328 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.584 -0.250 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.963 -0.790 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.414 0.878 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.086 1.384 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.914 2.509 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.534 2.004 -3.798 1.00 0.00 H new ATOM 822 N ALA A 53 17.764 2.586 -1.626 1.00 0.00 N ATOM 823 CA ALA A 53 19.130 3.059 -1.766 1.00 0.00 C ATOM 824 C ALA A 53 19.864 2.938 -0.440 1.00 0.00 C ATOM 825 O ALA A 53 21.094 2.980 -0.393 1.00 0.00 O ATOM 826 CB ALA A 53 19.135 4.516 -2.227 1.00 0.00 C ATOM 0 H ALA A 53 17.055 3.320 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 53 19.638 2.447 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.164 4.862 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.628 4.595 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.616 5.132 -1.492 1.00 0.00 H new ATOM 832 N ASP A 54 19.102 2.793 0.642 1.00 0.00 N ATOM 833 CA ASP A 54 19.698 2.674 1.962 1.00 0.00 C ATOM 834 C ASP A 54 19.906 1.212 2.336 1.00 0.00 C ATOM 835 O ASP A 54 20.855 0.874 3.044 1.00 0.00 O ATOM 836 CB ASP A 54 18.800 3.346 3.003 1.00 0.00 C ATOM 837 CG ASP A 54 18.762 4.853 2.769 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.575 5.334 1.997 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.920 5.504 3.367 1.00 0.00 O ATOM 0 H ASP A 54 18.083 2.756 0.628 1.00 0.00 H new ATOM 0 HA ASP A 54 20.669 3.169 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.792 2.936 2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.172 3.135 4.006 1.00 0.00 H new ATOM 844 N GLN A 55 19.012 0.345 1.868 1.00 0.00 N ATOM 845 CA GLN A 55 19.118 -1.072 2.179 1.00 0.00 C ATOM 846 C GLN A 55 18.673 -1.933 1.001 1.00 0.00 C ATOM 847 O GLN A 55 17.572 -2.485 0.999 1.00 0.00 O ATOM 848 CB GLN A 55 18.272 -1.386 3.412 1.00 0.00 C ATOM 849 CG GLN A 55 16.792 -1.177 3.089 1.00 0.00 C ATOM 850 CD GLN A 55 16.102 -0.489 4.261 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.639 -1.154 5.188 1.00 0.00 O ATOM 852 NE2 GLN A 55 16.007 0.812 4.279 1.00 0.00 N ATOM 0 H GLN A 55 18.217 0.597 1.280 1.00 0.00 H new ATOM 0 HA GLN A 55 20.163 -1.304 2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.443 -2.415 3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.567 -0.743 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.688 -0.572 2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.315 -2.136 2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.391 1.362 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.549 1.279 5.062 1.00 0.00 H new ATOM 861 N PRO A 56 19.516 -2.060 0.013 1.00 0.00 N ATOM 862 CA PRO A 56 19.236 -2.875 -1.202 1.00 0.00 C ATOM 863 C PRO A 56 19.344 -4.371 -0.918 1.00 0.00 C ATOM 864 O PRO A 56 18.996 -5.207 -1.753 1.00 0.00 O ATOM 865 CB PRO A 56 20.304 -2.435 -2.214 1.00 0.00 C ATOM 866 CG PRO A 56 21.140 -1.385 -1.545 1.00 0.00 C ATOM 867 CD PRO A 56 20.837 -1.438 -0.050 1.00 0.00 C ATOM 0 HA PRO A 56 18.221 -2.719 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.920 -3.282 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.839 -2.040 -3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.199 -1.565 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.910 -0.398 -1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.582 -2.024 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.833 -0.442 0.393 1.00 0.00 H new ATOM 875 N GLN A 57 19.842 -4.693 0.271 1.00 0.00 N ATOM 876 CA GLN A 57 20.019 -6.084 0.675 1.00 0.00 C ATOM 877 C GLN A 57 18.679 -6.775 0.906 1.00 0.00 C ATOM 878 O GLN A 57 18.460 -7.893 0.432 1.00 0.00 O ATOM 879 CB GLN A 57 20.833 -6.132 1.971 1.00 0.00 C ATOM 880 CG GLN A 57 20.772 -7.538 2.576 1.00 0.00 C ATOM 881 CD GLN A 57 21.543 -7.572 3.891 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.657 -7.056 3.974 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.007 -8.148 4.934 1.00 0.00 N ATOM 0 H GLN A 57 20.130 -4.010 0.972 1.00 0.00 H new ATOM 0 HA GLN A 57 20.540 -6.606 -0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.869 -5.858 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.443 -5.404 2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.734 -7.826 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.194 -8.262 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.083 -8.575 4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.512 -8.171 5.820 1.00 0.00 H new ATOM 892 N LEU A 58 17.783 -6.118 1.630 1.00 0.00 N ATOM 893 CA LEU A 58 16.492 -6.709 1.894 1.00 0.00 C ATOM 894 C LEU A 58 15.656 -6.672 0.622 1.00 0.00 C ATOM 895 O LEU A 58 14.748 -7.478 0.429 1.00 0.00 O ATOM 896 CB LEU A 58 15.809 -5.963 3.042 1.00 0.00 C ATOM 897 CG LEU A 58 14.959 -4.824 2.491 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.686 -5.405 1.878 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.594 -3.870 3.633 1.00 0.00 C ATOM 0 H LEU A 58 17.928 -5.193 2.035 1.00 0.00 H new ATOM 0 HA LEU A 58 16.607 -7.750 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.185 -6.650 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.559 -5.569 3.728 1.00 0.00 H new ATOM 0 HG LEU A 58 15.514 -4.278 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.072 -4.597 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.950 -6.090 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.127 -5.944 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.986 -3.053 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.031 -4.411 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.505 -3.466 4.075 1.00 0.00 H new ATOM 911 N VAL A 59 15.998 -5.737 -0.260 1.00 0.00 N ATOM 912 CA VAL A 59 15.302 -5.604 -1.531 1.00 0.00 C ATOM 913 C VAL A 59 15.473 -6.889 -2.330 1.00 0.00 C ATOM 914 O VAL A 59 14.515 -7.410 -2.901 1.00 0.00 O ATOM 915 CB VAL A 59 15.893 -4.427 -2.308 1.00 0.00 C ATOM 916 CG1 VAL A 59 15.247 -4.333 -3.684 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.641 -3.129 -1.536 1.00 0.00 C ATOM 0 H VAL A 59 16.751 -5.064 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 59 14.241 -5.424 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 59 16.965 -4.581 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.674 -3.492 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.431 -5.255 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.173 -4.185 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 59 16.062 -2.289 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.568 -2.981 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.113 -3.191 -0.556 1.00 0.00 H new ATOM 927 N GLU A 60 16.698 -7.406 -2.352 1.00 0.00 N ATOM 928 CA GLU A 60 16.975 -8.642 -3.070 1.00 0.00 C ATOM 929 C GLU A 60 16.269 -9.804 -2.386 1.00 0.00 C ATOM 930 O GLU A 60 15.787 -10.726 -3.045 1.00 0.00 O ATOM 931 CB GLU A 60 18.478 -8.903 -3.110 1.00 0.00 C ATOM 932 CG GLU A 60 19.166 -7.792 -3.903 1.00 0.00 C ATOM 933 CD GLU A 60 20.658 -8.083 -4.019 1.00 0.00 C ATOM 934 OE1 GLU A 60 21.066 -9.155 -3.603 1.00 0.00 O ATOM 935 OE2 GLU A 60 21.369 -7.233 -4.527 1.00 0.00 O ATOM 0 H GLU A 60 17.505 -6.992 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 60 16.606 -8.547 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.878 -8.943 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.678 -9.871 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.724 -7.715 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.011 -6.832 -3.410 1.00 0.00 H new ATOM 942 N TYR A 61 16.200 -9.745 -1.058 1.00 0.00 N ATOM 943 CA TYR A 61 15.532 -10.796 -0.297 1.00 0.00 C ATOM 944 C TYR A 61 14.113 -10.979 -0.814 1.00 0.00 C ATOM 945 O TYR A 61 13.648 -12.101 -1.008 1.00 0.00 O ATOM 946 CB TYR A 61 15.498 -10.422 1.188 1.00 0.00 C ATOM 947 CG TYR A 61 14.779 -11.497 1.971 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.449 -12.673 2.325 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.441 -11.313 2.345 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.783 -13.667 3.053 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.775 -12.306 3.074 1.00 0.00 C ATOM 952 CZ TYR A 61 13.446 -13.483 3.430 1.00 0.00 C ATOM 953 OH TYR A 61 12.792 -14.464 4.149 1.00 0.00 O ATOM 0 H TYR A 61 16.593 -8.992 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 61 16.082 -11.729 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.513 -10.302 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.994 -9.465 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.480 -12.814 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.924 -10.405 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.300 -14.576 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.744 -12.164 3.362 1.00 0.00 H new ATOM 0 HH TYR A 61 11.872 -14.178 4.330 1.00 0.00 H new ATOM 963 N TYR A 62 13.442 -9.862 -1.051 1.00 0.00 N ATOM 964 CA TYR A 62 12.086 -9.886 -1.565 1.00 0.00 C ATOM 965 C TYR A 62 12.101 -9.848 -3.092 1.00 0.00 C ATOM 966 O TYR A 62 11.118 -9.453 -3.719 1.00 0.00 O ATOM 967 CB TYR A 62 11.315 -8.671 -1.040 1.00 0.00 C ATOM 968 CG TYR A 62 11.090 -8.768 0.453 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.517 -9.917 1.022 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.446 -7.691 1.271 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.309 -9.981 2.406 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.237 -7.756 2.654 1.00 0.00 C ATOM 973 CZ TYR A 62 10.670 -8.902 3.220 1.00 0.00 C ATOM 974 OH TYR A 62 10.459 -8.967 4.582 1.00 0.00 O ATOM 0 H TYR A 62 13.818 -8.927 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 62 11.601 -10.804 -1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.868 -7.760 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.355 -8.598 -1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.237 -10.750 0.394 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.884 -6.806 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.869 -10.864 2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.513 -6.922 3.283 1.00 0.00 H new ATOM 0 HH TYR A 62 10.766 -8.136 5.001 1.00 0.00 H new ATOM 984 N ARG A 63 13.230 -10.234 -3.689 1.00 0.00 N ATOM 985 CA ARG A 63 13.354 -10.206 -5.144 1.00 0.00 C ATOM 986 C ARG A 63 12.834 -8.869 -5.658 1.00 0.00 C ATOM 987 O ARG A 63 12.622 -8.678 -6.856 1.00 0.00 O ATOM 988 CB ARG A 63 12.559 -11.356 -5.773 1.00 0.00 C ATOM 989 CG ARG A 63 13.023 -12.698 -5.193 1.00 0.00 C ATOM 990 CD ARG A 63 14.448 -13.013 -5.663 1.00 0.00 C ATOM 991 NE ARG A 63 14.815 -14.371 -5.276 1.00 0.00 N ATOM 992 CZ ARG A 63 14.731 -15.378 -6.140 1.00 0.00 C ATOM 993 NH1 ARG A 63 15.663 -15.543 -7.039 1.00 0.00 N ATOM 994 NH2 ARG A 63 13.719 -16.200 -6.087 1.00 0.00 N ATOM 0 H ARG A 63 14.059 -10.565 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 63 14.402 -10.326 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.494 -11.218 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.694 -11.353 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.991 -12.663 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.345 -13.492 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.514 -12.905 -6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.149 -12.301 -5.228 1.00 0.00 H new ATOM 0 HE ARG A 63 15.142 -14.551 -4.327 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.454 -14.900 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.600 -16.315 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.993 -16.070 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.654 -16.973 -6.750 1.00 0.00 H new ATOM 1008 N LEU A 64 12.624 -7.956 -4.717 1.00 0.00 N ATOM 1009 CA LEU A 64 12.116 -6.621 -5.013 1.00 0.00 C ATOM 1010 C LEU A 64 13.106 -5.838 -5.874 1.00 0.00 C ATOM 1011 O LEU A 64 13.612 -4.802 -5.460 1.00 0.00 O ATOM 1012 CB LEU A 64 11.881 -5.894 -3.685 1.00 0.00 C ATOM 1013 CG LEU A 64 10.869 -4.758 -3.839 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.397 -3.678 -4.779 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.565 -5.327 -4.382 1.00 0.00 C ATOM 0 H LEU A 64 12.801 -8.120 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 64 11.184 -6.700 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.522 -6.603 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.825 -5.494 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 64 10.700 -4.301 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.658 -2.882 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.324 -3.268 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.587 -4.111 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.837 -4.524 -4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.746 -5.792 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.177 -6.073 -3.689 1.00 0.00 H new ATOM 1027 N VAL A 65 13.378 -6.330 -7.071 1.00 0.00 N ATOM 1028 CA VAL A 65 14.317 -5.650 -7.955 1.00 0.00 C ATOM 1029 C VAL A 65 13.627 -4.546 -8.749 1.00 0.00 C ATOM 1030 O VAL A 65 14.251 -3.892 -9.584 1.00 0.00 O ATOM 1031 CB VAL A 65 14.935 -6.655 -8.925 1.00 0.00 C ATOM 1032 CG1 VAL A 65 16.222 -6.083 -9.530 1.00 0.00 C ATOM 1033 CG2 VAL A 65 15.262 -7.947 -8.176 1.00 0.00 C ATOM 0 H VAL A 65 12.971 -7.184 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 65 15.094 -5.200 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 65 14.224 -6.859 -9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.653 -6.808 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.994 -5.163 -10.067 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.935 -5.871 -8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.703 -8.666 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.968 -7.734 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 65 14.348 -8.364 -7.753 1.00 0.00 H new ATOM 1043 N VAL A 66 12.339 -4.342 -8.492 1.00 0.00 N ATOM 1044 CA VAL A 66 11.591 -3.317 -9.199 1.00 0.00 C ATOM 1045 C VAL A 66 11.099 -2.238 -8.241 1.00 0.00 C ATOM 1046 O VAL A 66 10.708 -2.525 -7.110 1.00 0.00 O ATOM 1047 CB VAL A 66 10.391 -3.946 -9.895 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.862 -4.823 -11.056 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.610 -4.798 -8.894 1.00 0.00 C ATOM 0 H VAL A 66 11.799 -4.869 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 66 12.255 -2.859 -9.932 1.00 0.00 H new ATOM 0 HB VAL A 66 9.747 -3.156 -10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.998 -5.269 -11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.413 -4.214 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.511 -5.612 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.751 -5.248 -9.392 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.256 -5.584 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.265 -4.170 -8.073 1.00 0.00 H new ATOM 1059 N THR A 67 11.106 -0.997 -8.711 1.00 0.00 N ATOM 1060 CA THR A 67 10.642 0.121 -7.899 1.00 0.00 C ATOM 1061 C THR A 67 9.821 1.080 -8.760 1.00 0.00 C ATOM 1062 O THR A 67 10.090 1.234 -9.952 1.00 0.00 O ATOM 1063 CB THR A 67 11.834 0.867 -7.292 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.829 1.054 -8.289 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.417 0.054 -6.134 1.00 0.00 C ATOM 0 H THR A 67 11.426 -0.740 -9.645 1.00 0.00 H new ATOM 0 HA THR A 67 10.019 -0.266 -7.093 1.00 0.00 H new ATOM 0 HB THR A 67 11.503 1.836 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.592 1.533 -7.904 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.265 0.588 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.654 -0.089 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.749 -0.917 -6.502 1.00 0.00 H new ATOM 1073 N PRO A 68 8.833 1.719 -8.191 1.00 0.00 N ATOM 1074 CA PRO A 68 8.474 1.565 -6.755 1.00 0.00 C ATOM 1075 C PRO A 68 7.726 0.261 -6.499 1.00 0.00 C ATOM 1076 O PRO A 68 7.287 -0.407 -7.434 1.00 0.00 O ATOM 1077 CB PRO A 68 7.562 2.764 -6.455 1.00 0.00 C ATOM 1078 CG PRO A 68 7.426 3.542 -7.728 1.00 0.00 C ATOM 1079 CD PRO A 68 7.948 2.666 -8.864 1.00 0.00 C ATOM 0 HA PRO A 68 9.361 1.535 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.587 2.428 -6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.989 3.385 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.385 3.813 -7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.992 4.472 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.136 2.156 -9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.483 3.254 -9.610 1.00 0.00 H new ATOM 1087 N ALA A 69 7.577 -0.089 -5.227 1.00 0.00 N ATOM 1088 CA ALA A 69 6.870 -1.308 -4.867 1.00 0.00 C ATOM 1089 C ALA A 69 6.225 -1.157 -3.489 1.00 0.00 C ATOM 1090 O ALA A 69 6.754 -0.463 -2.622 1.00 0.00 O ATOM 1091 CB ALA A 69 7.838 -2.490 -4.845 1.00 0.00 C ATOM 0 H ALA A 69 7.933 0.449 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 69 6.094 -1.490 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.298 -3.397 -4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.284 -2.614 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.624 -2.303 -4.113 1.00 0.00 H new ATOM 1097 N LEU A 70 5.087 -1.813 -3.293 1.00 0.00 N ATOM 1098 CA LEU A 70 4.385 -1.745 -2.014 1.00 0.00 C ATOM 1099 C LEU A 70 4.242 -3.145 -1.425 1.00 0.00 C ATOM 1100 O LEU A 70 3.801 -4.068 -2.111 1.00 0.00 O ATOM 1101 CB LEU A 70 3.004 -1.115 -2.222 1.00 0.00 C ATOM 1102 CG LEU A 70 2.418 -0.670 -0.883 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.125 0.114 -1.131 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.113 -1.895 -0.026 1.00 0.00 C ATOM 0 H LEU A 70 4.632 -2.394 -3.997 1.00 0.00 H new ATOM 0 HA LEU A 70 4.957 -1.130 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.084 -0.260 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.337 -1.834 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 70 3.137 -0.036 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.704 0.433 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.342 0.990 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.408 -0.522 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.695 -1.576 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.394 -2.531 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.032 -2.455 0.149 1.00 0.00 H new ATOM 1116 N VAL A 71 4.627 -3.308 -0.160 1.00 0.00 N ATOM 1117 CA VAL A 71 4.540 -4.619 0.474 1.00 0.00 C ATOM 1118 C VAL A 71 3.881 -4.554 1.852 1.00 0.00 C ATOM 1119 O VAL A 71 4.294 -3.782 2.718 1.00 0.00 O ATOM 1120 CB VAL A 71 5.944 -5.214 0.615 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.834 -6.692 0.998 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.696 -5.080 -0.715 1.00 0.00 C ATOM 0 H VAL A 71 4.995 -2.565 0.434 1.00 0.00 H new ATOM 0 HA VAL A 71 3.919 -5.249 -0.163 1.00 0.00 H new ATOM 0 HB VAL A 71 6.490 -4.678 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.833 -7.117 1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.303 -6.784 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.288 -7.229 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.695 -5.504 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.153 -5.614 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.775 -4.027 -0.984 1.00 0.00 H new ATOM 1132 N LYS A 72 2.876 -5.406 2.051 1.00 0.00 N ATOM 1133 CA LYS A 72 2.175 -5.489 3.333 1.00 0.00 C ATOM 1134 C LYS A 72 2.845 -6.558 4.193 1.00 0.00 C ATOM 1135 O LYS A 72 3.044 -7.682 3.738 1.00 0.00 O ATOM 1136 CB LYS A 72 0.707 -5.860 3.102 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.068 -5.764 4.420 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.047 -6.934 4.502 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.155 -6.620 5.508 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.751 -7.895 5.999 1.00 0.00 N ATOM 0 H LYS A 72 2.528 -6.050 1.340 1.00 0.00 H new ATOM 0 HA LYS A 72 2.219 -4.524 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.266 -5.193 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.637 -6.871 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.620 -5.788 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.606 -4.817 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.480 -7.126 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.520 -7.840 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.752 -6.048 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.922 -6.003 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.956 -7.814 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.633 -8.088 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.081 -8.675 5.842 1.00 0.00 H new ATOM 1154 N ILE A 73 3.208 -6.208 5.422 1.00 0.00 N ATOM 1155 CA ILE A 73 3.875 -7.173 6.293 1.00 0.00 C ATOM 1156 C ILE A 73 2.928 -7.763 7.333 1.00 0.00 C ATOM 1157 O ILE A 73 3.199 -8.834 7.876 1.00 0.00 O ATOM 1158 CB ILE A 73 5.073 -6.523 6.992 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.815 -5.024 7.182 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.327 -6.728 6.140 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.323 -4.254 5.959 1.00 0.00 C ATOM 0 H ILE A 73 3.057 -5.286 5.832 1.00 0.00 H new ATOM 0 HA ILE A 73 4.220 -7.990 5.659 1.00 0.00 H new ATOM 0 HB ILE A 73 5.217 -6.984 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.749 -4.843 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.318 -4.670 8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.182 -6.267 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.512 -7.795 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.182 -6.269 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.138 -3.189 6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.393 -4.424 5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.800 -4.600 5.068 1.00 0.00 H new ATOM 1173 N GLY A 74 1.818 -7.086 7.615 1.00 0.00 N ATOM 1174 CA GLY A 74 0.880 -7.618 8.598 1.00 0.00 C ATOM 1175 C GLY A 74 0.022 -6.521 9.223 1.00 0.00 C ATOM 1176 O GLY A 74 -0.081 -5.421 8.679 1.00 0.00 O ATOM 0 H GLY A 74 1.551 -6.197 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.234 -8.355 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.432 -8.137 9.382 1.00 0.00 H new ATOM 1180 N PRO A 75 -0.600 -6.798 10.349 1.00 0.00 N ATOM 1181 CA PRO A 75 -0.502 -8.119 11.043 1.00 0.00 C ATOM 1182 C PRO A 75 -1.106 -9.267 10.234 1.00 0.00 C ATOM 1183 O PRO A 75 -1.082 -10.418 10.669 1.00 0.00 O ATOM 1184 CB PRO A 75 -1.278 -7.941 12.355 1.00 0.00 C ATOM 1185 CG PRO A 75 -1.795 -6.538 12.394 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.455 -5.851 11.070 1.00 0.00 C ATOM 0 HA PRO A 75 0.544 -8.388 11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.101 -8.653 12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.631 -8.134 13.211 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.873 -6.537 12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.349 -5.994 13.227 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.357 -5.625 10.502 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.939 -4.906 11.239 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.631 -8.957 9.056 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.216 -9.983 8.201 1.00 0.00 C ATOM 1196 C GLY A 76 -1.137 -10.652 7.353 1.00 0.00 C ATOM 1197 O GLY A 76 0.054 -10.437 7.568 1.00 0.00 O ATOM 0 H GLY A 76 -1.664 -8.012 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.721 -10.730 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.972 -9.538 7.554 1.00 0.00 H new ATOM 1201 N SER A 77 -1.555 -11.466 6.389 1.00 0.00 N ATOM 1202 CA SER A 77 -0.599 -12.149 5.526 1.00 0.00 C ATOM 1203 C SER A 77 0.253 -11.135 4.771 1.00 0.00 C ATOM 1204 O SER A 77 -0.067 -9.948 4.743 1.00 0.00 O ATOM 1205 CB SER A 77 -1.332 -13.041 4.526 1.00 0.00 C ATOM 1206 OG SER A 77 -0.460 -13.350 3.448 1.00 0.00 O ATOM 0 H SER A 77 -2.535 -11.667 6.188 1.00 0.00 H new ATOM 0 HA SER A 77 0.047 -12.765 6.151 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.665 -13.957 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.223 -12.535 4.155 1.00 0.00 H new ATOM 0 HG SER A 77 -0.926 -13.924 2.804 1.00 0.00 H new ATOM 1212 N ARG A 78 1.336 -11.605 4.167 1.00 0.00 N ATOM 1213 CA ARG A 78 2.222 -10.716 3.419 1.00 0.00 C ATOM 1214 C ARG A 78 1.861 -10.701 1.936 1.00 0.00 C ATOM 1215 O ARG A 78 1.521 -11.733 1.359 1.00 0.00 O ATOM 1216 CB ARG A 78 3.678 -11.157 3.586 1.00 0.00 C ATOM 1217 CG ARG A 78 4.583 -10.261 2.736 1.00 0.00 C ATOM 1218 CD ARG A 78 6.047 -10.650 2.956 1.00 0.00 C ATOM 1219 NE ARG A 78 6.922 -9.799 2.160 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.718 -10.312 1.229 1.00 0.00 C ATOM 1221 NH1 ARG A 78 8.243 -11.492 1.399 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.977 -9.632 0.145 1.00 0.00 N ATOM 0 H ARG A 78 1.622 -12.584 4.178 1.00 0.00 H new ATOM 0 HA ARG A 78 2.099 -9.709 3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.970 -11.097 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.791 -12.198 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.324 -10.362 1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.430 -9.215 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.300 -10.557 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.198 -11.694 2.683 1.00 0.00 H new ATOM 0 HE ARG A 78 6.923 -8.792 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.043 -12.022 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.854 -11.886 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.568 -8.707 0.013 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.588 -10.026 -0.570 1.00 0.00 H new ATOM 1236 N GLN A 79 1.950 -9.523 1.326 1.00 0.00 N ATOM 1237 CA GLN A 79 1.642 -9.385 -0.094 1.00 0.00 C ATOM 1238 C GLN A 79 2.622 -8.418 -0.748 1.00 0.00 C ATOM 1239 O GLN A 79 3.043 -7.439 -0.133 1.00 0.00 O ATOM 1240 CB GLN A 79 0.207 -8.878 -0.274 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.764 -9.861 0.385 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.202 -9.481 0.053 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.438 -8.424 -0.673 1.00 0.00 O flip ATOM 1244 NE2 GLN A 79 -3.137 -10.172 0.463 1.00 0.00 N flip ATOM 0 H GLN A 79 2.230 -8.657 1.787 1.00 0.00 H new ATOM 0 HA GLN A 79 1.734 -10.360 -0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.100 -7.889 0.172 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.025 -8.776 -1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.558 -10.874 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.619 -9.858 1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.950 -10.998 1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.098 -9.917 0.234 1.00 0.00 H new ATOM 1253 N VAL A 80 2.994 -8.701 -1.992 1.00 0.00 N ATOM 1254 CA VAL A 80 3.940 -7.847 -2.700 1.00 0.00 C ATOM 1255 C VAL A 80 3.312 -7.216 -3.937 1.00 0.00 C ATOM 1256 O VAL A 80 2.886 -7.912 -4.859 1.00 0.00 O ATOM 1257 CB VAL A 80 5.164 -8.671 -3.115 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.143 -7.795 -3.904 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.864 -9.208 -1.865 1.00 0.00 C ATOM 0 H VAL A 80 2.660 -9.504 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 80 4.237 -7.044 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 80 4.838 -9.501 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.010 -8.389 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.650 -7.412 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.467 -6.961 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.735 -9.794 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.182 -8.374 -1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.174 -9.839 -1.304 1.00 0.00 H new ATOM 1269 N LEU A 81 3.294 -5.886 -3.959 1.00 0.00 N ATOM 1270 CA LEU A 81 2.760 -5.150 -5.095 1.00 0.00 C ATOM 1271 C LEU A 81 3.861 -4.293 -5.704 1.00 0.00 C ATOM 1272 O LEU A 81 4.548 -3.562 -4.989 1.00 0.00 O ATOM 1273 CB LEU A 81 1.610 -4.246 -4.652 1.00 0.00 C ATOM 1274 CG LEU A 81 0.560 -5.058 -3.896 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.471 -4.104 -3.293 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.147 -6.015 -4.860 1.00 0.00 C ATOM 0 H LEU A 81 3.644 -5.298 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 81 2.389 -5.863 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.990 -3.448 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.156 -3.771 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 81 1.045 -5.632 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.224 -4.677 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.026 -3.418 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.951 -3.536 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.895 -6.592 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.634 -5.442 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.584 -6.693 -5.301 1.00 0.00 H new ATOM 1288 N SER A 82 4.031 -4.375 -7.016 1.00 0.00 N ATOM 1289 CA SER A 82 5.058 -3.582 -7.679 1.00 0.00 C ATOM 1290 C SER A 82 4.746 -3.385 -9.148 1.00 0.00 C ATOM 1291 O SER A 82 3.887 -4.061 -9.719 1.00 0.00 O ATOM 1292 CB SER A 82 6.421 -4.254 -7.551 1.00 0.00 C ATOM 1293 OG SER A 82 7.371 -3.529 -8.322 1.00 0.00 O ATOM 0 H SER A 82 3.482 -4.972 -7.634 1.00 0.00 H new ATOM 0 HA SER A 82 5.077 -2.609 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.729 -4.284 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.365 -5.286 -7.896 1.00 0.00 H new ATOM 0 HG SER A 82 7.555 -2.669 -7.890 1.00 0.00 H new ATOM 1299 N GLY A 83 5.471 -2.459 -9.754 1.00 0.00 N ATOM 1300 CA GLY A 83 5.297 -2.168 -11.175 1.00 0.00 C ATOM 1301 C GLY A 83 4.346 -0.995 -11.396 1.00 0.00 C ATOM 1302 O GLY A 83 3.457 -1.054 -12.246 1.00 0.00 O ATOM 0 H GLY A 83 6.184 -1.896 -9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.265 -1.941 -11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.910 -3.051 -11.683 1.00 0.00 H new ATOM 1306 N ILE A 84 4.548 0.066 -10.627 1.00 0.00 N ATOM 1307 CA ILE A 84 3.720 1.269 -10.725 1.00 0.00 C ATOM 1308 C ILE A 84 2.234 0.935 -10.868 1.00 0.00 C ATOM 1309 O ILE A 84 1.405 1.833 -11.022 1.00 0.00 O ATOM 1310 CB ILE A 84 4.175 2.135 -11.907 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.735 1.504 -13.236 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.699 2.251 -11.889 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.996 2.493 -14.373 1.00 0.00 C ATOM 0 H ILE A 84 5.283 0.122 -9.922 1.00 0.00 H new ATOM 0 HA ILE A 84 3.847 1.824 -9.796 1.00 0.00 H new ATOM 0 HB ILE A 84 3.721 3.122 -11.816 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.282 0.578 -13.411 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.676 1.247 -13.197 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.027 2.866 -12.727 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.018 2.712 -10.954 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.140 1.258 -11.973 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.685 2.050 -15.319 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.429 3.407 -14.197 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.060 2.728 -14.414 1.00 0.00 H new ATOM 1325 N ASP A 85 1.893 -0.346 -10.788 1.00 0.00 N ATOM 1326 CA ASP A 85 0.496 -0.752 -10.882 1.00 0.00 C ATOM 1327 C ASP A 85 -0.065 -0.876 -9.474 1.00 0.00 C ATOM 1328 O ASP A 85 -1.164 -1.391 -9.260 1.00 0.00 O ATOM 1329 CB ASP A 85 0.374 -2.092 -11.609 1.00 0.00 C ATOM 1330 CG ASP A 85 0.931 -3.211 -10.736 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.555 -2.898 -9.736 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.724 -4.362 -11.080 1.00 0.00 O ATOM 0 H ASP A 85 2.554 -1.112 -10.660 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.063 -0.007 -11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.671 -2.292 -11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.916 -2.053 -12.554 1.00 0.00 H new ATOM 1337 N LEU A 86 0.727 -0.397 -8.524 1.00 0.00 N ATOM 1338 CA LEU A 86 0.367 -0.435 -7.118 1.00 0.00 C ATOM 1339 C LEU A 86 -1.022 0.134 -6.885 1.00 0.00 C ATOM 1340 O LEU A 86 -1.761 -0.363 -6.050 1.00 0.00 O ATOM 1341 CB LEU A 86 1.377 0.387 -6.315 1.00 0.00 C ATOM 1342 CG LEU A 86 2.794 -0.109 -6.603 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.804 0.859 -5.989 1.00 0.00 C ATOM 1344 CD2 LEU A 86 2.981 -1.493 -5.985 1.00 0.00 C ATOM 0 H LEU A 86 1.636 0.028 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 86 0.374 -1.476 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.291 1.442 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.162 0.304 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 86 2.949 -0.165 -7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.815 0.507 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.669 1.849 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.649 0.912 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.991 -1.849 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.828 -1.434 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.258 -2.185 -6.417 1.00 0.00 H new ATOM 1356 N THR A 87 -1.374 1.193 -7.603 1.00 0.00 N ATOM 1357 CA THR A 87 -2.686 1.797 -7.411 1.00 0.00 C ATOM 1358 C THR A 87 -3.786 0.838 -7.846 1.00 0.00 C ATOM 1359 O THR A 87 -4.809 0.713 -7.173 1.00 0.00 O ATOM 1360 CB THR A 87 -2.791 3.111 -8.189 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.690 2.849 -9.582 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.664 4.052 -7.761 1.00 0.00 C ATOM 0 H THR A 87 -0.787 1.642 -8.306 1.00 0.00 H new ATOM 0 HA THR A 87 -2.812 2.010 -6.349 1.00 0.00 H new ATOM 0 HB THR A 87 -3.752 3.580 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.759 3.691 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.740 4.987 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.746 4.256 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.701 3.585 -7.968 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.564 0.142 -8.952 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.541 -0.820 -9.426 1.00 0.00 C ATOM 1372 C ASP A 88 -4.504 -2.043 -8.522 1.00 0.00 C ATOM 1373 O ASP A 88 -5.538 -2.575 -8.116 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.206 -1.227 -10.859 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.380 -0.038 -11.798 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.896 0.974 -11.353 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.996 -0.158 -12.950 1.00 0.00 O ATOM 0 H ASP A 88 -2.727 0.225 -9.529 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.537 -0.378 -9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.181 -1.594 -10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.853 -2.046 -11.173 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.287 -2.469 -8.209 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.075 -3.618 -7.346 1.00 0.00 C ATOM 1384 C GLN A 89 -3.472 -3.310 -5.902 1.00 0.00 C ATOM 1385 O GLN A 89 -4.224 -4.067 -5.288 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.605 -4.033 -7.428 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.454 -5.076 -8.540 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.039 -5.643 -8.554 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.895 -5.064 -7.855 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 0.223 -6.640 -9.227 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.429 -2.031 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.707 -4.439 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.978 -3.166 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.274 -4.445 -6.475 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.173 -5.881 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.679 -4.622 -9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.509 -7.093 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.172 -7.013 -9.237 1.00 0.00 H new ATOM 1399 N LEU A 90 -2.983 -2.194 -5.369 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.321 -1.803 -4.004 1.00 0.00 C ATOM 1401 C LEU A 90 -4.829 -1.666 -3.862 1.00 0.00 C ATOM 1402 O LEU A 90 -5.426 -2.166 -2.909 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.656 -0.470 -3.649 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.081 -0.036 -2.245 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.508 -0.998 -1.205 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.562 1.376 -1.975 1.00 0.00 C ATOM 0 H LEU A 90 -2.358 -1.551 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.958 -2.574 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.572 -0.570 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.937 0.292 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.169 -0.048 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.815 -0.682 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.879 -2.005 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.420 -0.995 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.863 1.689 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.474 1.384 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.978 2.064 -2.711 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.434 -0.985 -4.827 1.00 0.00 N ATOM 1419 CA ALA A 91 -6.873 -0.783 -4.819 1.00 0.00 C ATOM 1420 C ALA A 91 -7.587 -2.127 -4.774 1.00 0.00 C ATOM 1421 O ALA A 91 -8.644 -2.265 -4.158 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.292 -0.012 -6.075 1.00 0.00 C ATOM 0 H ALA A 91 -4.951 -0.566 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.148 -0.207 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.372 0.138 -6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.791 0.956 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.012 -0.581 -6.962 1.00 0.00 H new ATOM 1428 N ASN A 92 -6.993 -3.118 -5.429 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.562 -4.456 -5.462 1.00 0.00 C ATOM 1430 C ASN A 92 -7.267 -5.211 -4.171 1.00 0.00 C ATOM 1431 O ASN A 92 -8.083 -6.011 -3.709 1.00 0.00 O ATOM 1432 CB ASN A 92 -6.972 -5.234 -6.640 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.649 -4.820 -7.942 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.463 -3.800 -7.951 1.00 0.00 O flip ATOM 1435 ND2 ASN A 92 -7.429 -5.444 -8.982 1.00 0.00 N flip ATOM 0 H ASN A 92 -6.118 -3.018 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.642 -4.363 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.900 -5.050 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.102 -6.304 -6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.793 -6.241 -8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.883 -5.163 -9.851 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.089 -4.972 -3.607 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.685 -5.657 -2.390 1.00 0.00 C ATOM 1444 C GLN A 93 -6.340 -5.067 -1.149 1.00 0.00 C ATOM 1445 O GLN A 93 -6.622 -5.789 -0.193 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.168 -5.592 -2.238 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.498 -6.417 -3.334 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.009 -7.850 -3.284 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.105 -8.438 -2.208 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.344 -8.451 -4.388 1.00 0.00 N ATOM 0 H GLN A 93 -5.402 -4.313 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.013 -6.692 -2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.833 -4.556 -2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.876 -5.969 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.707 -5.980 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.416 -6.402 -3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.264 -7.962 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.687 -9.411 -4.362 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.570 -3.761 -1.145 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.176 -3.134 0.017 1.00 0.00 C ATOM 1461 C LEU A 94 -8.461 -3.868 0.411 1.00 0.00 C ATOM 1462 O LEU A 94 -8.560 -4.382 1.525 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.446 -1.654 -0.255 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.369 -1.095 0.831 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.717 -1.289 2.203 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.601 0.397 0.584 1.00 0.00 C ATOM 0 H LEU A 94 -6.351 -3.129 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.481 -3.200 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.508 -1.099 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.905 -1.532 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.323 -1.621 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.373 -0.891 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.550 -2.352 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.763 -0.762 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.258 0.796 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.647 0.923 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.064 0.536 -0.393 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.432 -3.949 -0.468 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.709 -4.663 -0.180 1.00 0.00 C ATOM 1480 C PRO A 95 -10.471 -6.044 0.438 1.00 0.00 C ATOM 1481 O PRO A 95 -11.133 -6.422 1.404 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.386 -4.814 -1.551 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.467 -4.205 -2.567 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.438 -3.368 -1.814 1.00 0.00 C ATOM 0 HA PRO A 95 -11.313 -4.112 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.568 -5.865 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.355 -4.314 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.975 -4.982 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.027 -3.585 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.455 -3.429 -2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.717 -2.314 -1.794 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.525 -6.792 -0.130 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.214 -8.131 0.371 1.00 0.00 C ATOM 1494 C GLN A 96 -8.721 -8.075 1.809 1.00 0.00 C ATOM 1495 O GLN A 96 -9.024 -8.955 2.615 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.134 -8.781 -0.494 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.675 -9.019 -1.903 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.677 -9.845 -2.709 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.547 -10.204 -2.164 1.00 0.00 O flip ATOM 1500 NE2 GLN A 96 -7.936 -10.176 -3.867 1.00 0.00 N flip ATOM 0 H GLN A 96 -8.965 -6.497 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.130 -8.721 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.254 -8.140 -0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.819 -9.726 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.632 -9.538 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.855 -8.065 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.820 -9.895 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.267 -10.731 -4.401 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.948 -7.045 2.120 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.405 -6.894 3.464 1.00 0.00 C ATOM 1511 C TRP A 97 -8.520 -6.661 4.473 1.00 0.00 C ATOM 1512 O TRP A 97 -8.550 -7.284 5.535 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.438 -5.712 3.502 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.365 -5.910 2.481 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.163 -7.043 1.769 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.348 -4.963 2.045 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.085 -6.850 0.921 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.548 -5.584 1.058 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.045 -3.639 2.407 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.485 -4.914 0.451 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.976 -2.961 1.799 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.197 -3.598 0.823 1.00 0.00 C ATOM 0 H TRP A 97 -7.684 -6.307 1.467 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.878 -7.812 3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.974 -4.784 3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.997 -5.621 4.495 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.746 -7.948 1.849 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.731 -7.555 0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.639 -3.139 3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.889 -5.409 -0.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.753 -1.944 2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.375 -3.072 0.359 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.441 -5.767 4.134 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.557 -5.466 5.013 1.00 0.00 C ATOM 1535 C LEU A 98 -11.463 -6.683 5.145 1.00 0.00 C ATOM 1536 O LEU A 98 -12.096 -6.894 6.179 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.352 -4.293 4.450 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.418 -3.104 4.237 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.237 -1.894 3.790 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.699 -2.783 5.549 1.00 0.00 C ATOM 0 H LEU A 98 -9.435 -5.241 3.260 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.171 -5.203 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.820 -4.576 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.155 -4.021 5.135 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.681 -3.346 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.574 -1.042 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.750 -2.127 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.972 -1.648 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.031 -1.934 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.434 -2.536 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.119 -3.649 5.867 1.00 0.00 H new