USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 483 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 Single : A 9 THR OG1 : rot 46:sc= 0.42 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00178 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 71:sc= -3.03! USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 1.73 (180deg=1.55) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.23) USER MOD Single : A 36 GLN : amide:sc= -0.0403 X(o=-0.04,f=-0.071) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0219 F(o=-0.8!,f=-0.022) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.26 F(o=-3.5!,f=-1.3) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -165:sc= -4.53! (180deg=-6.17!) USER MOD Single : A 87 MET CE :methyl -157:sc= -0.69 (180deg=-2.37!) USER MOD Single : A 88 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.9!) USER MOD Single : A 91 SER OG : rot 95:sc= 1.23 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.157 F(o=-1.4!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.856 -13.262 104.429 1.00 0.00 N ATOM 134 CA THR A 9 -233.070 -12.976 103.695 1.00 0.00 C ATOM 135 C THR A 9 -233.743 -14.264 103.247 1.00 0.00 C ATOM 136 O THR A 9 -233.215 -14.991 102.407 1.00 0.00 O ATOM 137 CB THR A 9 -232.783 -12.100 102.462 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.772 -12.707 101.641 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.334 -10.705 102.871 1.00 0.00 C ATOM 0 HA THR A 9 -233.735 -12.433 104.367 1.00 0.00 H new ATOM 0 HB THR A 9 -233.709 -12.015 101.894 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.972 -13.659 101.526 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.139 -10.110 101.979 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.117 -10.229 103.461 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.424 -10.776 103.466 1.00 0.00 H new ATOM 147 N HIS A 10 -234.893 -14.560 103.824 1.00 0.00 N ATOM 148 CA HIS A 10 -235.631 -15.756 103.452 1.00 0.00 C ATOM 149 C HIS A 10 -237.074 -15.430 103.150 1.00 0.00 C ATOM 150 O HIS A 10 -237.693 -14.611 103.813 1.00 0.00 O ATOM 151 CB HIS A 10 -235.543 -16.828 104.536 1.00 0.00 C ATOM 152 CG HIS A 10 -234.192 -17.463 104.626 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.876 -18.642 103.990 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.061 -17.059 105.247 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.609 -18.934 104.214 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.085 -17.986 104.975 1.00 0.00 N ATOM 0 H HIS A 10 -235.335 -13.994 104.548 1.00 0.00 H new ATOM 0 HA HIS A 10 -235.170 -16.153 102.548 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.794 -16.383 105.499 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.288 -17.599 104.337 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -232.946 -16.169 105.848 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -232.087 -19.802 103.839 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.120 -17.950 105.304 1.00 0.00 H new ATOM 165 N ARG A 11 -237.595 -16.066 102.130 1.00 0.00 N ATOM 166 CA ARG A 11 -238.931 -15.821 101.684 1.00 0.00 C ATOM 167 C ARG A 11 -239.917 -16.742 102.380 1.00 0.00 C ATOM 168 O ARG A 11 -239.601 -17.894 102.679 1.00 0.00 O ATOM 169 CB ARG A 11 -238.982 -16.010 100.190 1.00 0.00 C ATOM 170 CG ARG A 11 -239.731 -14.898 99.525 1.00 0.00 C ATOM 171 CD ARG A 11 -239.295 -14.733 98.090 1.00 0.00 C ATOM 172 NE ARG A 11 -240.123 -13.774 97.362 1.00 0.00 N ATOM 173 CZ ARG A 11 -239.662 -12.962 96.413 1.00 0.00 C ATOM 174 NH1 ARG A 11 -238.370 -12.946 96.115 1.00 0.00 N ATOM 175 NH2 ARG A 11 -240.496 -12.150 95.775 1.00 0.00 N ATOM 0 H ARG A 11 -237.096 -16.771 101.587 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.215 -14.799 101.934 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.968 -16.057 99.793 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.459 -16.962 99.958 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.801 -15.103 99.562 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.565 -13.968 100.068 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -238.256 -14.404 98.064 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -239.336 -15.699 97.587 1.00 0.00 H new ATOM 0 HE ARG A 11 -241.115 -13.724 97.595 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -237.724 -13.558 96.614 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -238.022 -12.322 95.387 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -241.488 -12.149 96.012 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.145 -11.527 95.048 1.00 0.00 H new ATOM 189 N VAL A 12 -241.105 -16.227 102.632 1.00 0.00 N ATOM 190 CA VAL A 12 -242.151 -16.979 103.299 1.00 0.00 C ATOM 191 C VAL A 12 -243.431 -16.922 102.469 1.00 0.00 C ATOM 192 O VAL A 12 -243.946 -15.838 102.178 1.00 0.00 O ATOM 193 CB VAL A 12 -242.386 -16.445 104.731 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.451 -14.923 104.738 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.644 -17.045 105.332 1.00 0.00 C ATOM 0 H VAL A 12 -241.373 -15.275 102.380 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.840 -18.020 103.388 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.541 -16.749 105.348 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.617 -14.571 105.756 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.512 -14.517 104.362 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.271 -14.591 104.101 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.788 -16.654 106.339 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.503 -16.783 104.715 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.545 -18.130 105.374 1.00 0.00 H new ATOM 205 N THR A 13 -243.908 -18.086 102.039 1.00 0.00 N ATOM 206 CA THR A 13 -245.043 -18.153 101.134 1.00 0.00 C ATOM 207 C THR A 13 -246.338 -17.860 101.892 1.00 0.00 C ATOM 208 O THR A 13 -246.724 -18.615 102.786 1.00 0.00 O ATOM 209 CB THR A 13 -245.173 -19.548 100.493 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.905 -19.961 99.962 1.00 0.00 O ATOM 211 CG2 THR A 13 -246.229 -19.531 99.386 1.00 0.00 C ATOM 0 H THR A 13 -243.524 -18.993 102.304 1.00 0.00 H new ATOM 0 HA THR A 13 -244.876 -17.411 100.353 1.00 0.00 H new ATOM 0 HB THR A 13 -245.486 -20.258 101.258 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.993 -20.849 99.557 1.00 0.00 H new ATOM 0 HG21 THR A 13 -246.308 -20.524 98.944 1.00 0.00 H new ATOM 0 HG22 THR A 13 -247.192 -19.243 99.807 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.940 -18.814 98.618 1.00 0.00 H new ATOM 219 N VAL A 14 -246.997 -16.781 101.539 1.00 0.00 N ATOM 220 CA VAL A 14 -248.220 -16.385 102.207 1.00 0.00 C ATOM 221 C VAL A 14 -249.439 -16.872 101.423 1.00 0.00 C ATOM 222 O VAL A 14 -249.550 -16.636 100.223 1.00 0.00 O ATOM 223 CB VAL A 14 -248.254 -14.853 102.375 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.539 -14.380 103.028 1.00 0.00 C ATOM 225 CG2 VAL A 14 -247.051 -14.390 103.178 1.00 0.00 C ATOM 0 H VAL A 14 -246.706 -16.156 100.787 1.00 0.00 H new ATOM 0 HA VAL A 14 -248.248 -16.844 103.195 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.216 -14.411 101.379 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.519 -13.295 103.126 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.389 -14.673 102.412 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -249.633 -14.832 104.015 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -247.084 -13.306 103.291 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -247.068 -14.858 104.162 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -246.136 -14.673 102.658 1.00 0.00 H new ATOM 235 N HIS A 15 -250.330 -17.582 102.106 1.00 0.00 N ATOM 236 CA HIS A 15 -251.538 -18.111 101.476 1.00 0.00 C ATOM 237 C HIS A 15 -252.725 -17.179 101.670 1.00 0.00 C ATOM 238 O HIS A 15 -253.731 -17.286 100.974 1.00 0.00 O ATOM 239 CB HIS A 15 -251.872 -19.494 102.044 1.00 0.00 C ATOM 240 CG HIS A 15 -251.079 -20.606 101.430 1.00 0.00 C ATOM 241 ND1 HIS A 15 -251.485 -21.289 100.305 1.00 0.00 N ATOM 242 CD2 HIS A 15 -249.897 -21.158 101.794 1.00 0.00 C ATOM 243 CE1 HIS A 15 -250.590 -22.210 100.003 1.00 0.00 C ATOM 244 NE2 HIS A 15 -249.618 -22.151 100.893 1.00 0.00 N ATOM 0 H HIS A 15 -250.240 -17.806 103.097 1.00 0.00 H new ATOM 0 HA HIS A 15 -251.341 -18.193 100.407 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -251.698 -19.487 103.120 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -252.934 -19.691 101.895 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -249.288 -20.869 102.638 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -250.644 -22.895 99.170 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -248.792 -22.749 100.908 1.00 0.00 H new ATOM 253 N GLY A 16 -252.607 -16.264 102.619 1.00 0.00 N ATOM 254 CA GLY A 16 -253.714 -15.365 102.907 1.00 0.00 C ATOM 255 C GLY A 16 -253.446 -13.945 102.447 1.00 0.00 C ATOM 256 O GLY A 16 -253.968 -12.998 103.024 1.00 0.00 O ATOM 0 H GLY A 16 -251.775 -16.125 103.192 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.615 -15.737 102.420 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.908 -15.365 103.980 1.00 0.00 H new ATOM 260 N VAL A 17 -252.639 -13.804 101.404 1.00 0.00 N ATOM 261 CA VAL A 17 -252.167 -12.501 100.959 1.00 0.00 C ATOM 262 C VAL A 17 -253.316 -11.521 100.690 1.00 0.00 C ATOM 263 O VAL A 17 -254.418 -11.918 100.304 1.00 0.00 O ATOM 264 CB VAL A 17 -251.297 -12.622 99.692 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.250 -13.700 99.855 1.00 0.00 C ATOM 266 CG2 VAL A 17 -252.140 -12.877 98.450 1.00 0.00 C ATOM 0 H VAL A 17 -252.295 -14.585 100.846 1.00 0.00 H new ATOM 0 HA VAL A 17 -251.565 -12.105 101.777 1.00 0.00 H new ATOM 0 HB VAL A 17 -250.790 -11.666 99.556 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.650 -13.765 98.947 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -249.605 -13.456 100.699 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.739 -14.657 100.036 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -251.490 -12.956 97.579 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -252.697 -13.806 98.573 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.838 -12.052 98.308 1.00 0.00 H new ATOM 326 N PRO A 22 -253.413 -15.958 94.984 1.00 0.00 N ATOM 327 CA PRO A 22 -253.889 -17.015 95.856 1.00 0.00 C ATOM 328 C PRO A 22 -252.866 -17.333 96.923 1.00 0.00 C ATOM 329 O PRO A 22 -253.188 -17.707 98.050 1.00 0.00 O ATOM 330 CB PRO A 22 -254.058 -18.197 94.906 1.00 0.00 C ATOM 331 CG PRO A 22 -253.311 -17.845 93.653 1.00 0.00 C ATOM 332 CD PRO A 22 -252.734 -16.486 93.804 1.00 0.00 C ATOM 0 HA PRO A 22 -254.804 -16.753 96.386 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.663 -19.111 95.350 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -255.112 -18.376 94.692 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -252.520 -18.572 93.469 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -253.980 -17.877 92.793 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.654 -16.522 93.945 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.921 -15.870 92.924 1.00 0.00 H new ATOM 340 N PHE A 23 -251.626 -17.180 96.523 1.00 0.00 N ATOM 341 CA PHE A 23 -250.479 -17.372 97.393 1.00 0.00 C ATOM 342 C PHE A 23 -249.252 -16.761 96.740 1.00 0.00 C ATOM 343 O PHE A 23 -248.990 -16.976 95.557 1.00 0.00 O ATOM 344 CB PHE A 23 -250.254 -18.861 97.719 1.00 0.00 C ATOM 345 CG PHE A 23 -249.925 -19.732 96.538 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.928 -20.236 95.724 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.610 -20.064 96.259 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.622 -21.048 94.653 1.00 0.00 C ATOM 349 CE2 PHE A 23 -248.298 -20.875 95.187 1.00 0.00 C ATOM 350 CZ PHE A 23 -249.305 -21.368 94.383 1.00 0.00 C ATOM 0 H PHE A 23 -251.377 -16.915 95.570 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.670 -16.871 98.342 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -249.445 -18.939 98.445 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -251.151 -19.251 98.199 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.959 -19.990 95.931 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.819 -19.684 96.888 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -251.411 -21.434 94.025 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -247.268 -21.123 94.978 1.00 0.00 H new ATOM 0 HZ PHE A 23 -249.064 -22.003 93.543 1.00 0.00 H new ATOM 360 N THR A 24 -248.540 -15.961 97.499 1.00 0.00 N ATOM 361 CA THR A 24 -247.311 -15.363 97.025 1.00 0.00 C ATOM 362 C THR A 24 -246.345 -15.218 98.186 1.00 0.00 C ATOM 363 O THR A 24 -246.752 -15.134 99.344 1.00 0.00 O ATOM 364 CB THR A 24 -247.546 -14.004 96.322 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.306 -13.475 95.841 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.204 -12.998 97.250 1.00 0.00 C ATOM 0 H THR A 24 -248.792 -15.707 98.454 1.00 0.00 H new ATOM 0 HA THR A 24 -246.881 -16.023 96.272 1.00 0.00 H new ATOM 0 HB THR A 24 -248.219 -14.181 95.483 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.467 -12.616 95.397 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.352 -12.057 96.720 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.168 -13.384 97.580 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.564 -12.830 98.116 1.00 0.00 H new ATOM 374 N VAL A 25 -245.073 -15.201 97.869 1.00 0.00 N ATOM 375 CA VAL A 25 -244.025 -15.333 98.860 1.00 0.00 C ATOM 376 C VAL A 25 -243.226 -14.032 98.957 1.00 0.00 C ATOM 377 O VAL A 25 -242.746 -13.528 97.942 1.00 0.00 O ATOM 378 CB VAL A 25 -243.088 -16.479 98.442 1.00 0.00 C ATOM 379 CG1 VAL A 25 -242.226 -16.953 99.585 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.858 -17.632 97.818 1.00 0.00 C ATOM 0 H VAL A 25 -244.731 -15.095 96.914 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.469 -15.547 99.832 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.420 -16.076 97.681 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.581 -17.762 99.243 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.612 -16.127 99.945 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.861 -17.312 100.395 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -243.163 -18.423 97.535 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.577 -18.021 98.539 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.386 -17.280 96.932 1.00 0.00 H new ATOM 390 N PHE A 26 -243.076 -13.488 100.160 1.00 0.00 N ATOM 391 CA PHE A 26 -242.313 -12.249 100.330 1.00 0.00 C ATOM 392 C PHE A 26 -241.043 -12.510 101.115 1.00 0.00 C ATOM 393 O PHE A 26 -241.015 -13.364 102.001 1.00 0.00 O ATOM 394 CB PHE A 26 -243.131 -11.146 101.010 1.00 0.00 C ATOM 395 CG PHE A 26 -244.468 -10.907 100.367 1.00 0.00 C ATOM 396 CD1 PHE A 26 -245.583 -11.643 100.739 1.00 0.00 C ATOM 397 CD2 PHE A 26 -244.603 -9.945 99.386 1.00 0.00 C ATOM 398 CE1 PHE A 26 -246.807 -11.421 100.138 1.00 0.00 C ATOM 399 CE2 PHE A 26 -245.822 -9.718 98.777 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.926 -10.456 99.156 1.00 0.00 C ATOM 0 H PHE A 26 -243.464 -13.875 101.021 1.00 0.00 H new ATOM 0 HA PHE A 26 -242.057 -11.897 99.331 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.282 -11.410 102.057 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.559 -10.219 100.995 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -245.494 -12.398 101.506 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -243.743 -9.362 99.091 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -247.669 -12.000 100.435 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -245.911 -8.966 98.007 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.882 -10.279 98.685 1.00 0.00 H new ATOM 410 N THR A 27 -239.992 -11.785 100.771 1.00 0.00 N ATOM 411 CA THR A 27 -238.682 -12.034 101.341 1.00 0.00 C ATOM 412 C THR A 27 -238.459 -11.214 102.602 1.00 0.00 C ATOM 413 O THR A 27 -238.874 -10.058 102.691 1.00 0.00 O ATOM 414 CB THR A 27 -237.570 -11.716 100.331 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.092 -11.784 98.997 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.428 -12.713 100.474 1.00 0.00 C ATOM 0 H THR A 27 -240.022 -11.019 100.099 1.00 0.00 H new ATOM 0 HA THR A 27 -238.645 -13.093 101.597 1.00 0.00 H new ATOM 0 HB THR A 27 -237.196 -10.711 100.528 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.380 -11.579 98.356 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.646 -12.477 99.752 1.00 0.00 H new ATOM 0 HG22 THR A 27 -236.020 -12.656 101.483 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.800 -13.721 100.289 1.00 0.00 H new ATOM 424 N ILE A 28 -237.812 -11.832 103.570 1.00 0.00 N ATOM 425 CA ILE A 28 -237.512 -11.189 104.832 1.00 0.00 C ATOM 426 C ILE A 28 -236.017 -10.915 104.921 1.00 0.00 C ATOM 427 O ILE A 28 -235.298 -11.123 103.949 1.00 0.00 O ATOM 428 CB ILE A 28 -237.961 -12.071 106.002 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.951 -13.190 106.264 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.330 -12.662 105.685 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.278 -14.018 107.476 1.00 0.00 C ATOM 0 H ILE A 28 -237.480 -12.794 103.503 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.054 -10.245 104.888 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.023 -11.460 106.902 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.906 -13.840 105.390 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.960 -12.753 106.388 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.656 -13.291 106.514 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.049 -11.856 105.537 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.266 -13.262 104.777 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.521 -14.792 107.603 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.295 -13.379 108.359 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.255 -14.483 107.346 1.00 0.00 H new ATOM 443 N ASN A 29 -235.550 -10.447 106.071 1.00 0.00 N ATOM 444 CA ASN A 29 -234.124 -10.219 106.278 1.00 0.00 C ATOM 445 C ASN A 29 -233.794 -10.188 107.767 1.00 0.00 C ATOM 446 O ASN A 29 -234.552 -9.640 108.570 1.00 0.00 O ATOM 447 CB ASN A 29 -233.669 -8.917 105.607 1.00 0.00 C ATOM 448 CG ASN A 29 -234.371 -7.689 106.149 1.00 0.00 C ATOM 449 OD1 ASN A 29 -233.885 -7.034 107.070 1.00 0.00 O ATOM 450 ND2 ASN A 29 -235.515 -7.366 105.572 1.00 0.00 N ATOM 0 H ASN A 29 -236.136 -10.218 106.874 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.585 -11.047 105.817 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.594 -8.802 105.743 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -233.849 -8.987 104.534 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.031 -6.545 105.888 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -235.882 -7.938 104.811 1.00 0.00 H new ATOM 457 N GLY A 30 -232.669 -10.795 108.126 1.00 0.00 N ATOM 458 CA GLY A 30 -232.218 -10.790 109.505 1.00 0.00 C ATOM 459 C GLY A 30 -233.114 -11.606 110.418 1.00 0.00 C ATOM 460 O GLY A 30 -233.217 -12.825 110.275 1.00 0.00 O ATOM 0 H GLY A 30 -232.057 -11.294 107.481 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.203 -11.184 109.552 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.178 -9.762 109.866 1.00 0.00 H new ATOM 464 N GLY A 31 -233.773 -10.927 111.344 1.00 0.00 N ATOM 465 CA GLY A 31 -234.653 -11.595 112.280 1.00 0.00 C ATOM 466 C GLY A 31 -236.012 -10.938 112.337 1.00 0.00 C ATOM 467 O GLY A 31 -236.427 -10.428 113.382 1.00 0.00 O ATOM 0 H GLY A 31 -233.713 -9.916 111.465 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.766 -12.640 111.991 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.203 -11.586 113.273 1.00 0.00 H new ATOM 471 N THR A 32 -236.699 -10.930 111.206 1.00 0.00 N ATOM 472 CA THR A 32 -238.012 -10.320 111.116 1.00 0.00 C ATOM 473 C THR A 32 -239.036 -11.036 111.975 1.00 0.00 C ATOM 474 O THR A 32 -239.178 -12.259 111.900 1.00 0.00 O ATOM 475 CB THR A 32 -238.526 -10.315 109.686 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.172 -11.549 109.058 1.00 0.00 O ATOM 477 CG2 THR A 32 -237.957 -9.146 108.900 1.00 0.00 C ATOM 0 H THR A 32 -236.365 -11.342 110.334 1.00 0.00 H new ATOM 0 HA THR A 32 -237.887 -9.298 111.475 1.00 0.00 H new ATOM 0 HB THR A 32 -239.610 -10.205 109.704 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.709 -12.275 109.438 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.343 -9.170 107.881 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.249 -8.210 109.377 1.00 0.00 H new ATOM 0 HG23 THR A 32 -236.870 -9.218 108.877 1.00 0.00 H new ATOM 485 N LYS A 33 -239.757 -10.273 112.780 1.00 0.00 N ATOM 486 CA LYS A 33 -240.890 -10.812 113.507 1.00 0.00 C ATOM 487 C LYS A 33 -242.039 -11.008 112.556 1.00 0.00 C ATOM 488 O LYS A 33 -241.972 -10.590 111.408 1.00 0.00 O ATOM 489 CB LYS A 33 -241.347 -9.878 114.615 1.00 0.00 C ATOM 490 CG LYS A 33 -240.349 -9.721 115.726 1.00 0.00 C ATOM 491 CD LYS A 33 -239.405 -8.560 115.474 1.00 0.00 C ATOM 492 CE LYS A 33 -238.132 -8.686 116.300 1.00 0.00 C ATOM 493 NZ LYS A 33 -237.364 -9.921 115.972 1.00 0.00 N ATOM 0 H LYS A 33 -239.577 -9.283 112.945 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.578 -11.756 113.953 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.558 -8.898 114.187 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -242.283 -10.252 115.030 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -240.875 -9.564 116.668 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -239.774 -10.641 115.831 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.150 -8.520 114.415 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -239.906 -7.623 115.717 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -237.502 -7.813 116.128 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -238.388 -8.691 117.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -236.431 -9.881 116.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -237.883 -10.754 116.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -237.242 -9.990 114.942 1.00 0.00 H new ATOM 507 N ALA A 34 -243.109 -11.589 113.048 1.00 0.00 N ATOM 508 CA ALA A 34 -244.313 -11.745 112.249 1.00 0.00 C ATOM 509 C ALA A 34 -244.935 -10.378 111.966 1.00 0.00 C ATOM 510 O ALA A 34 -245.723 -10.219 111.045 1.00 0.00 O ATOM 511 CB ALA A 34 -245.302 -12.646 112.961 1.00 0.00 C ATOM 0 H ALA A 34 -243.175 -11.962 113.995 1.00 0.00 H new ATOM 0 HA ALA A 34 -244.050 -12.209 111.298 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -246.199 -12.754 112.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.852 -13.626 113.121 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.567 -12.207 113.923 1.00 0.00 H new ATOM 517 N LYS A 35 -244.571 -9.401 112.785 1.00 0.00 N ATOM 518 CA LYS A 35 -245.106 -8.039 112.670 1.00 0.00 C ATOM 519 C LYS A 35 -244.368 -7.280 111.576 1.00 0.00 C ATOM 520 O LYS A 35 -244.981 -6.733 110.658 1.00 0.00 O ATOM 521 CB LYS A 35 -245.010 -7.291 114.017 1.00 0.00 C ATOM 522 CG LYS A 35 -243.590 -7.155 114.564 1.00 0.00 C ATOM 523 CD LYS A 35 -243.550 -6.497 115.940 1.00 0.00 C ATOM 524 CE LYS A 35 -244.071 -7.423 117.029 1.00 0.00 C ATOM 525 NZ LYS A 35 -243.924 -6.836 118.386 1.00 0.00 N ATOM 0 H LYS A 35 -243.902 -9.522 113.545 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.160 -8.103 112.401 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -245.437 -6.295 113.897 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -245.621 -7.813 114.753 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.132 -8.142 114.624 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -242.991 -6.568 113.867 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -242.526 -6.204 116.172 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -244.147 -5.585 115.923 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -245.122 -7.644 116.843 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -243.534 -8.370 116.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -244.261 -7.516 119.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -242.923 -6.617 118.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -244.485 -5.963 118.449 1.00 0.00 H new ATOM 539 N GLN A 36 -243.040 -7.282 111.667 1.00 0.00 N ATOM 540 CA GLN A 36 -242.204 -6.695 110.642 1.00 0.00 C ATOM 541 C GLN A 36 -242.407 -7.454 109.347 1.00 0.00 C ATOM 542 O GLN A 36 -242.150 -6.947 108.256 1.00 0.00 O ATOM 543 CB GLN A 36 -240.735 -6.756 111.060 1.00 0.00 C ATOM 544 CG GLN A 36 -240.410 -5.937 112.299 1.00 0.00 C ATOM 545 CD GLN A 36 -240.597 -4.452 112.078 1.00 0.00 C ATOM 546 OE1 GLN A 36 -241.670 -3.900 112.321 1.00 0.00 O ATOM 547 NE2 GLN A 36 -239.550 -3.798 111.611 1.00 0.00 N ATOM 0 H GLN A 36 -242.525 -7.688 112.448 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.479 -5.650 110.502 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.463 -7.796 111.242 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.118 -6.405 110.233 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -241.047 -6.261 113.122 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -239.380 -6.130 112.598 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -238.680 -4.296 111.424 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -239.611 -2.795 111.438 1.00 0.00 H new ATOM 556 N LEU A 37 -242.840 -8.695 109.482 1.00 0.00 N ATOM 557 CA LEU A 37 -243.071 -9.525 108.340 1.00 0.00 C ATOM 558 C LEU A 37 -244.423 -9.347 107.721 1.00 0.00 C ATOM 559 O LEU A 37 -244.534 -9.379 106.508 1.00 0.00 O ATOM 560 CB LEU A 37 -242.851 -10.972 108.667 1.00 0.00 C ATOM 561 CG LEU A 37 -241.947 -11.593 107.660 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.668 -11.669 106.336 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.730 -10.711 107.517 1.00 0.00 C ATOM 0 H LEU A 37 -243.036 -9.140 110.379 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.341 -9.199 107.599 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.418 -11.066 109.663 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.805 -11.498 108.684 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.653 -12.595 107.971 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -242.014 -12.123 105.591 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.568 -12.274 106.446 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -242.944 -10.665 106.014 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -240.050 -11.145 106.783 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.037 -9.719 107.186 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.223 -10.632 108.479 1.00 0.00 H new ATOM 575 N LEU A 38 -245.452 -9.198 108.518 1.00 0.00 N ATOM 576 CA LEU A 38 -246.751 -8.903 107.970 1.00 0.00 C ATOM 577 C LEU A 38 -246.588 -7.701 107.038 1.00 0.00 C ATOM 578 O LEU A 38 -247.126 -7.674 105.946 1.00 0.00 O ATOM 579 CB LEU A 38 -247.752 -8.658 109.112 1.00 0.00 C ATOM 580 CG LEU A 38 -249.237 -8.705 108.726 1.00 0.00 C ATOM 581 CD1 LEU A 38 -249.937 -7.410 109.099 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.413 -9.008 107.243 1.00 0.00 C ATOM 0 H LEU A 38 -245.417 -9.275 109.534 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.153 -9.735 107.392 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.575 -9.401 109.889 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.541 -7.682 109.550 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.700 -9.515 109.290 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -250.988 -7.469 108.815 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.860 -7.252 110.175 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.466 -6.578 108.575 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.475 -9.035 107.001 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -248.926 -8.232 106.653 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -248.964 -9.974 107.013 1.00 0.00 H new ATOM 594 N GLN A 39 -245.734 -6.779 107.446 1.00 0.00 N ATOM 595 CA GLN A 39 -245.269 -5.707 106.618 1.00 0.00 C ATOM 596 C GLN A 39 -244.670 -6.206 105.329 1.00 0.00 C ATOM 597 O GLN A 39 -245.032 -5.757 104.267 1.00 0.00 O ATOM 598 CB GLN A 39 -244.147 -5.054 107.355 1.00 0.00 C ATOM 599 CG GLN A 39 -243.732 -3.782 106.705 1.00 0.00 C ATOM 600 CD GLN A 39 -242.494 -3.159 107.325 1.00 0.00 C ATOM 601 OE1 GLN A 39 -241.605 -3.990 107.857 1.00 0.00 O flip ATOM 602 NE2 GLN A 39 -242.331 -1.941 107.317 1.00 0.00 N flip ATOM 0 H GLN A 39 -245.342 -6.765 108.387 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.111 -5.051 106.397 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.452 -4.856 108.382 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.296 -5.734 107.401 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.544 -3.968 105.648 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.555 -3.069 106.762 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -243.037 -1.335 106.899 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -241.490 -1.536 107.729 1.00 0.00 H new ATOM 611 N GLN A 40 -243.702 -7.089 105.443 1.00 0.00 N ATOM 612 CA GLN A 40 -243.044 -7.647 104.279 1.00 0.00 C ATOM 613 C GLN A 40 -244.048 -8.286 103.326 1.00 0.00 C ATOM 614 O GLN A 40 -243.824 -8.355 102.122 1.00 0.00 O ATOM 615 CB GLN A 40 -241.988 -8.661 104.716 1.00 0.00 C ATOM 616 CG GLN A 40 -240.629 -8.034 104.945 1.00 0.00 C ATOM 617 CD GLN A 40 -240.211 -7.197 103.760 1.00 0.00 C ATOM 618 OE1 GLN A 40 -240.794 -7.504 102.615 1.00 0.00 O flip ATOM 619 NE2 GLN A 40 -239.424 -6.258 103.880 1.00 0.00 N flip ATOM 0 H GLN A 40 -243.351 -7.438 106.335 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.554 -6.836 103.739 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.317 -9.148 105.634 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -241.901 -9.438 103.956 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.657 -7.414 105.841 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -239.890 -8.815 105.122 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -238.999 -6.061 104.786 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -239.197 -5.677 103.073 1.00 0.00 H new ATOM 628 N ILE A 41 -245.150 -8.719 103.894 1.00 0.00 N ATOM 629 CA ILE A 41 -246.247 -9.336 103.173 1.00 0.00 C ATOM 630 C ILE A 41 -247.136 -8.258 102.534 1.00 0.00 C ATOM 631 O ILE A 41 -247.790 -8.476 101.515 1.00 0.00 O ATOM 632 CB ILE A 41 -247.067 -10.193 104.164 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.150 -11.184 104.905 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.201 -10.924 103.483 1.00 0.00 C ATOM 635 CD1 ILE A 41 -245.075 -11.833 104.041 1.00 0.00 C ATOM 0 H ILE A 41 -245.316 -8.651 104.898 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.857 -9.968 102.375 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.513 -9.513 104.889 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.666 -10.661 105.730 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.766 -11.969 105.343 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -248.748 -11.513 104.219 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -248.875 -10.202 103.022 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -247.799 -11.586 102.716 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.480 -12.514 104.650 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.546 -12.389 103.230 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.429 -11.061 103.624 1.00 0.00 H new ATOM 647 N LEU A 42 -247.136 -7.101 103.169 1.00 0.00 N ATOM 648 CA LEU A 42 -248.001 -5.977 102.830 1.00 0.00 C ATOM 649 C LEU A 42 -247.357 -5.019 101.833 1.00 0.00 C ATOM 650 O LEU A 42 -248.004 -4.521 100.911 1.00 0.00 O ATOM 651 CB LEU A 42 -248.276 -5.230 104.119 1.00 0.00 C ATOM 652 CG LEU A 42 -249.130 -6.020 105.098 1.00 0.00 C ATOM 653 CD1 LEU A 42 -249.124 -5.362 106.439 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.547 -6.162 104.589 1.00 0.00 C ATOM 0 H LEU A 42 -246.519 -6.908 103.957 1.00 0.00 H new ATOM 0 HA LEU A 42 -248.909 -6.358 102.362 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.328 -4.978 104.595 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -248.776 -4.290 103.887 1.00 0.00 H new ATOM 0 HG LEU A 42 -248.702 -7.018 105.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -249.739 -5.938 107.130 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -248.102 -5.314 106.816 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -249.526 -4.353 106.351 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.137 -6.731 105.308 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -250.988 -5.174 104.460 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.539 -6.684 103.632 1.00 0.00 H new ATOM 666 N THR A 43 -246.075 -4.801 102.048 1.00 0.00 N ATOM 667 CA THR A 43 -245.327 -3.687 101.523 1.00 0.00 C ATOM 668 C THR A 43 -245.568 -3.423 100.046 1.00 0.00 C ATOM 669 O THR A 43 -245.202 -4.192 99.157 1.00 0.00 O ATOM 670 CB THR A 43 -243.816 -3.851 101.811 1.00 0.00 C ATOM 671 OG1 THR A 43 -243.095 -2.698 101.363 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.248 -5.102 101.151 1.00 0.00 C ATOM 0 H THR A 43 -245.506 -5.426 102.619 1.00 0.00 H new ATOM 0 HA THR A 43 -245.700 -2.808 102.048 1.00 0.00 H new ATOM 0 HB THR A 43 -243.700 -3.956 102.890 1.00 0.00 H new ATOM 0 HG1 THR A 43 -242.141 -2.815 101.553 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.185 -5.182 101.377 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.767 -5.982 101.532 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.386 -5.038 100.072 1.00 0.00 H new ATOM 823 N THR A 53 -253.876 -3.238 108.514 1.00 0.00 N ATOM 824 CA THR A 53 -254.896 -3.300 109.544 1.00 0.00 C ATOM 825 C THR A 53 -254.821 -4.607 110.351 1.00 0.00 C ATOM 826 O THR A 53 -253.740 -5.153 110.556 1.00 0.00 O ATOM 827 CB THR A 53 -256.292 -3.093 108.892 1.00 0.00 C ATOM 828 OG1 THR A 53 -257.329 -3.029 109.878 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.605 -4.194 107.890 1.00 0.00 C ATOM 0 HA THR A 53 -254.722 -2.499 110.263 1.00 0.00 H new ATOM 0 HB THR A 53 -256.255 -2.140 108.365 1.00 0.00 H new ATOM 0 HG1 THR A 53 -258.193 -2.897 109.436 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.588 -4.019 107.453 1.00 0.00 H new ATOM 0 HG22 THR A 53 -255.852 -4.194 107.102 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.600 -5.159 108.396 1.00 0.00 H new ATOM 837 N ASP A 54 -255.987 -5.086 110.784 1.00 0.00 N ATOM 838 CA ASP A 54 -256.150 -6.210 111.719 1.00 0.00 C ATOM 839 C ASP A 54 -255.695 -7.553 111.170 1.00 0.00 C ATOM 840 O ASP A 54 -256.081 -8.608 111.671 1.00 0.00 O ATOM 841 CB ASP A 54 -257.610 -6.330 112.042 1.00 0.00 C ATOM 842 CG ASP A 54 -258.089 -5.249 112.982 1.00 0.00 C ATOM 843 OD1 ASP A 54 -257.767 -5.323 114.187 1.00 0.00 O ATOM 844 OD2 ASP A 54 -258.767 -4.310 112.522 1.00 0.00 O ATOM 0 H ASP A 54 -256.879 -4.691 110.485 1.00 0.00 H new ATOM 0 HA ASP A 54 -255.526 -5.989 112.585 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.187 -6.285 111.119 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -257.800 -7.306 112.489 1.00 0.00 H new ATOM 849 N TYR A 55 -254.928 -7.500 110.127 1.00 0.00 N ATOM 850 CA TYR A 55 -254.345 -8.695 109.534 1.00 0.00 C ATOM 851 C TYR A 55 -253.333 -9.355 110.469 1.00 0.00 C ATOM 852 O TYR A 55 -252.665 -8.687 111.258 1.00 0.00 O ATOM 853 CB TYR A 55 -253.648 -8.348 108.231 1.00 0.00 C ATOM 854 CG TYR A 55 -254.578 -8.055 107.091 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.451 -9.021 106.633 1.00 0.00 C ATOM 856 CD2 TYR A 55 -254.580 -6.815 106.470 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.302 -8.770 105.583 1.00 0.00 C ATOM 858 CE2 TYR A 55 -255.431 -6.550 105.417 1.00 0.00 C ATOM 859 CZ TYR A 55 -256.294 -7.534 104.976 1.00 0.00 C ATOM 860 OH TYR A 55 -257.148 -7.280 103.926 1.00 0.00 O ATOM 0 H TYR A 55 -254.679 -6.633 109.651 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.161 -9.394 109.352 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -253.009 -7.481 108.395 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -252.997 -9.176 107.950 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -255.466 -9.991 107.108 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -253.906 -6.046 106.816 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -256.975 -9.540 105.235 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -255.422 -5.581 104.941 1.00 0.00 H new ATOM 0 HH TYR A 55 -257.016 -6.361 103.612 1.00 0.00 H new ATOM 870 N PHE A 56 -253.238 -10.672 110.359 1.00 0.00 N ATOM 871 CA PHE A 56 -252.240 -11.458 111.075 1.00 0.00 C ATOM 872 C PHE A 56 -252.034 -12.771 110.333 1.00 0.00 C ATOM 873 O PHE A 56 -252.717 -13.039 109.363 1.00 0.00 O ATOM 874 CB PHE A 56 -252.650 -11.713 112.538 1.00 0.00 C ATOM 875 CG PHE A 56 -253.969 -12.407 112.695 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.147 -11.686 112.621 1.00 0.00 C ATOM 877 CD2 PHE A 56 -254.036 -13.776 112.916 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.367 -12.307 112.761 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.261 -14.405 113.055 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.430 -13.666 112.977 1.00 0.00 C ATOM 0 H PHE A 56 -253.854 -11.230 109.768 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.306 -10.897 111.108 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.878 -12.312 113.021 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.689 -10.759 113.064 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -255.109 -10.620 112.451 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.126 -14.354 112.980 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.277 -11.728 112.701 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.305 -15.471 113.224 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.388 -14.154 113.085 1.00 0.00 H new ATOM 890 N LEU A 57 -251.103 -13.584 110.782 1.00 0.00 N ATOM 891 CA LEU A 57 -250.758 -14.824 110.084 1.00 0.00 C ATOM 892 C LEU A 57 -251.400 -15.966 110.834 1.00 0.00 C ATOM 893 O LEU A 57 -251.915 -15.739 111.909 1.00 0.00 O ATOM 894 CB LEU A 57 -249.231 -15.039 110.018 1.00 0.00 C ATOM 895 CG LEU A 57 -248.408 -13.960 109.295 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.638 -12.606 109.923 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.927 -14.298 109.326 1.00 0.00 C ATOM 0 H LEU A 57 -250.563 -13.416 111.631 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.120 -14.770 109.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.856 -15.125 111.038 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.044 -15.994 109.528 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.737 -13.928 108.256 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.047 -11.856 109.397 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.695 -12.348 109.855 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.338 -12.635 110.971 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.365 -13.520 108.808 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.590 -14.361 110.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.762 -15.255 108.831 1.00 0.00 H new ATOM 909 N MET A 58 -251.423 -17.164 110.263 1.00 0.00 N ATOM 910 CA MET A 58 -251.891 -18.356 110.981 1.00 0.00 C ATOM 911 C MET A 58 -251.346 -19.615 110.333 1.00 0.00 C ATOM 912 O MET A 58 -250.998 -19.608 109.153 1.00 0.00 O ATOM 913 CB MET A 58 -253.417 -18.485 110.998 1.00 0.00 C ATOM 914 CG MET A 58 -254.181 -17.337 111.632 1.00 0.00 C ATOM 915 SD MET A 58 -255.888 -17.782 111.982 1.00 0.00 S ATOM 916 CE MET A 58 -256.076 -19.116 110.812 1.00 0.00 C ATOM 0 H MET A 58 -251.124 -17.342 109.304 1.00 0.00 H new ATOM 0 HA MET A 58 -251.531 -18.241 112.003 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.762 -18.600 109.971 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.677 -19.402 111.526 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.687 -17.038 112.556 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.160 -16.475 110.966 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.134 -19.345 110.689 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.654 -18.820 109.851 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.554 -19.999 111.180 1.00 0.00 H new ATOM 926 N GLU A 59 -251.270 -20.688 111.108 1.00 0.00 N ATOM 927 CA GLU A 59 -250.947 -22.000 110.568 1.00 0.00 C ATOM 928 C GLU A 59 -252.216 -22.783 110.273 1.00 0.00 C ATOM 929 O GLU A 59 -253.088 -22.915 111.131 1.00 0.00 O ATOM 930 CB GLU A 59 -250.096 -22.807 111.538 1.00 0.00 C ATOM 931 CG GLU A 59 -248.622 -22.469 111.503 1.00 0.00 C ATOM 932 CD GLU A 59 -247.816 -23.422 112.354 1.00 0.00 C ATOM 933 OE1 GLU A 59 -247.795 -24.634 112.040 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.233 -22.978 113.359 1.00 0.00 O ATOM 0 H GLU A 59 -251.428 -20.675 112.116 1.00 0.00 H new ATOM 0 HA GLU A 59 -250.385 -21.838 109.648 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -250.469 -22.648 112.550 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -250.219 -23.867 111.316 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -248.263 -22.506 110.474 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -248.473 -21.449 111.856 1.00 0.00 H new ATOM 1262 N ARG A 78 -253.610 -22.440 115.129 1.00 0.00 N ATOM 1263 CA ARG A 78 -252.931 -21.446 115.932 1.00 0.00 C ATOM 1264 C ARG A 78 -252.642 -20.209 115.103 1.00 0.00 C ATOM 1265 O ARG A 78 -251.998 -20.272 114.051 1.00 0.00 O ATOM 1266 CB ARG A 78 -251.651 -22.002 116.573 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.663 -22.619 115.600 1.00 0.00 C ATOM 1268 CD ARG A 78 -249.439 -23.152 116.329 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.540 -23.867 115.434 1.00 0.00 N ATOM 1270 CZ ARG A 78 -248.252 -25.162 115.546 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -248.706 -25.865 116.572 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -247.481 -25.743 114.641 1.00 0.00 N ATOM 0 HA ARG A 78 -253.595 -21.167 116.750 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -251.153 -21.196 117.112 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -251.929 -22.754 117.311 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -251.145 -23.428 115.051 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.357 -21.874 114.865 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -248.905 -22.324 116.794 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -249.756 -23.817 117.132 1.00 0.00 H new ATOM 0 HE ARG A 78 -248.104 -23.344 114.675 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -249.281 -25.415 117.284 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -248.481 -26.857 116.650 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -247.110 -25.199 113.862 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -247.257 -26.735 114.722 1.00 0.00 H new ATOM 1286 N ALA A 79 -253.158 -19.091 115.575 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.019 -17.827 114.886 1.00 0.00 C ATOM 1288 C ALA A 79 -251.676 -17.185 115.235 1.00 0.00 C ATOM 1289 O ALA A 79 -251.220 -17.262 116.374 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.156 -16.896 115.268 1.00 0.00 C ATOM 0 H ALA A 79 -253.685 -19.035 116.447 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.057 -18.006 113.811 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.041 -15.947 114.744 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.107 -17.351 114.992 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.137 -16.721 116.344 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.055 -16.564 114.255 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.793 -15.862 114.435 1.00 0.00 C ATOM 1298 C ILE A 80 -250.006 -14.436 114.910 1.00 0.00 C ATOM 1299 O ILE A 80 -250.552 -13.596 114.192 1.00 0.00 O ATOM 1300 CB ILE A 80 -248.952 -15.854 113.140 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.304 -17.218 112.938 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -247.886 -14.769 113.182 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.358 -17.571 114.057 1.00 0.00 C ATOM 0 H ILE A 80 -251.412 -16.529 113.300 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.246 -16.409 115.203 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.616 -15.640 112.302 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.080 -17.980 112.867 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -247.763 -17.225 111.992 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.310 -14.788 112.257 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.362 -13.795 113.293 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.220 -14.945 114.027 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -246.921 -18.552 113.868 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.565 -16.825 114.112 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.903 -17.592 115.001 1.00 0.00 H new ATOM 1315 N GLY A 81 -249.586 -14.188 116.136 1.00 0.00 N ATOM 1316 CA GLY A 81 -249.499 -12.837 116.618 1.00 0.00 C ATOM 1317 C GLY A 81 -248.107 -12.296 116.381 1.00 0.00 C ATOM 1318 O GLY A 81 -247.155 -13.072 116.351 1.00 0.00 O ATOM 0 H GLY A 81 -249.303 -14.903 116.806 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -250.233 -12.212 116.110 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -249.735 -12.805 117.682 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.962 -10.982 116.182 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.671 -10.331 115.959 1.00 0.00 C ATOM 1324 C PRO A 82 -245.567 -10.768 116.920 1.00 0.00 C ATOM 1325 O PRO A 82 -244.388 -10.767 116.556 1.00 0.00 O ATOM 1326 CB PRO A 82 -247.005 -8.857 116.153 1.00 0.00 C ATOM 1327 CG PRO A 82 -248.395 -8.752 115.659 1.00 0.00 C ATOM 1328 CD PRO A 82 -249.057 -10.013 116.127 1.00 0.00 C ATOM 0 HA PRO A 82 -246.263 -10.585 114.981 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -246.927 -8.562 117.199 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -246.329 -8.214 115.589 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.893 -7.870 116.061 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.425 -8.668 114.573 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -249.524 -9.881 117.103 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.840 -10.333 115.439 1.00 0.00 H new ATOM 1336 N GLU A 83 -245.949 -11.115 118.144 1.00 0.00 N ATOM 1337 CA GLU A 83 -245.011 -11.593 119.145 1.00 0.00 C ATOM 1338 C GLU A 83 -244.411 -12.942 118.753 1.00 0.00 C ATOM 1339 O GLU A 83 -243.201 -13.148 118.844 1.00 0.00 O ATOM 1340 CB GLU A 83 -245.725 -11.695 120.477 1.00 0.00 C ATOM 1341 CG GLU A 83 -246.269 -10.359 120.932 1.00 0.00 C ATOM 1342 CD GLU A 83 -245.205 -9.280 120.955 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -244.351 -9.307 121.864 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -245.215 -8.406 120.064 1.00 0.00 O ATOM 0 H GLU A 83 -246.916 -11.072 118.467 1.00 0.00 H new ATOM 0 HA GLU A 83 -244.186 -10.885 119.221 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -246.543 -12.411 120.396 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -245.037 -12.081 121.229 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -247.078 -10.054 120.268 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -246.697 -10.464 121.929 1.00 0.00 H new ATOM 1351 N GLU A 84 -245.268 -13.851 118.316 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.840 -15.174 117.885 1.00 0.00 C ATOM 1353 C GLU A 84 -244.220 -15.098 116.494 1.00 0.00 C ATOM 1354 O GLU A 84 -244.919 -14.996 115.486 1.00 0.00 O ATOM 1355 CB GLU A 84 -246.028 -16.134 117.898 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.685 -16.235 119.264 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.975 -17.027 119.243 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -249.033 -16.430 118.966 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.944 -18.243 119.529 1.00 0.00 O ATOM 0 H GLU A 84 -246.274 -13.695 118.250 1.00 0.00 H new ATOM 0 HA GLU A 84 -244.084 -15.549 118.575 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.766 -15.802 117.168 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.694 -17.123 117.586 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.990 -16.702 119.962 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.887 -15.232 119.639 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.898 -15.141 116.451 1.00 0.00 N ATOM 1367 CA GLU A 85 -242.163 -14.919 115.220 1.00 0.00 C ATOM 1368 C GLU A 85 -242.118 -16.169 114.346 1.00 0.00 C ATOM 1369 O GLU A 85 -241.882 -17.286 114.821 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.760 -14.423 115.546 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.771 -13.127 116.335 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.381 -12.645 116.706 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.597 -12.310 115.793 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -239.077 -12.562 117.913 1.00 0.00 O ATOM 0 H GLU A 85 -242.310 -15.329 117.263 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.686 -14.157 114.643 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.231 -15.187 116.116 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -240.206 -14.276 114.619 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -241.272 -12.356 115.749 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.355 -13.267 117.244 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.328 -15.956 113.057 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.414 -17.042 112.090 1.00 0.00 C ATOM 1383 C ILE A 86 -241.118 -17.830 112.004 1.00 0.00 C ATOM 1384 O ILE A 86 -241.135 -19.029 111.765 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.787 -16.511 110.697 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.787 -15.442 110.237 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -244.195 -15.951 110.739 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.106 -14.845 108.884 1.00 0.00 C ATOM 0 H ILE A 86 -242.444 -15.028 112.651 1.00 0.00 H new ATOM 0 HA ILE A 86 -243.198 -17.713 112.441 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.748 -17.329 109.977 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.758 -14.643 110.978 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.790 -15.882 110.203 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.466 -15.573 109.753 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.891 -16.738 111.029 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -244.242 -15.139 111.465 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.354 -14.098 108.629 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.106 -15.632 108.130 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -243.088 -14.374 108.917 1.00 0.00 H new ATOM 1400 N MET A 87 -239.995 -17.165 112.222 1.00 0.00 N ATOM 1401 CA MET A 87 -238.711 -17.842 112.191 1.00 0.00 C ATOM 1402 C MET A 87 -238.540 -18.743 113.402 1.00 0.00 C ATOM 1403 O MET A 87 -237.724 -19.659 113.382 1.00 0.00 O ATOM 1404 CB MET A 87 -237.549 -16.857 112.061 1.00 0.00 C ATOM 1405 CG MET A 87 -237.247 -16.521 110.611 1.00 0.00 C ATOM 1406 SD MET A 87 -236.851 -17.994 109.645 1.00 0.00 S ATOM 1407 CE MET A 87 -237.061 -17.389 107.975 1.00 0.00 C ATOM 0 H MET A 87 -239.947 -16.166 112.421 1.00 0.00 H new ATOM 0 HA MET A 87 -238.697 -18.470 111.300 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.787 -15.942 112.603 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.660 -17.282 112.527 1.00 0.00 H new ATOM 0 HG2 MET A 87 -238.107 -16.017 110.169 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.411 -15.823 110.567 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.256 -18.227 107.306 1.00 0.00 H new ATOM 0 HE2 MET A 87 -237.901 -16.696 107.942 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.154 -16.875 107.658 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.325 -18.501 114.444 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.289 -19.362 115.618 1.00 0.00 C ATOM 1419 C GLN A 88 -240.055 -20.629 115.291 1.00 0.00 C ATOM 1420 O GLN A 88 -239.721 -21.729 115.726 1.00 0.00 O ATOM 1421 CB GLN A 88 -239.915 -18.657 116.825 1.00 0.00 C ATOM 1422 CG GLN A 88 -239.196 -17.377 117.208 1.00 0.00 C ATOM 1423 CD GLN A 88 -239.907 -16.602 118.301 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -241.136 -16.620 118.400 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -239.135 -15.924 119.133 1.00 0.00 N ATOM 0 H GLN A 88 -239.986 -17.726 114.501 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.257 -19.599 115.875 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -240.958 -18.428 116.604 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -239.912 -19.337 117.677 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -238.186 -17.619 117.540 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -239.098 -16.744 116.326 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -238.122 -15.937 119.014 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -239.552 -15.388 119.894 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.077 -20.439 114.477 1.00 0.00 N ATOM 1435 CA ILE A 89 -241.940 -21.518 114.035 1.00 0.00 C ATOM 1436 C ILE A 89 -241.244 -22.403 113.004 1.00 0.00 C ATOM 1437 O ILE A 89 -241.165 -23.624 113.153 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.209 -20.932 113.413 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -243.796 -19.882 114.356 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.218 -22.028 113.108 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.048 -20.378 115.766 1.00 0.00 C ATOM 0 H ILE A 89 -241.333 -19.526 114.102 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.187 -22.129 114.903 1.00 0.00 H new ATOM 0 HB ILE A 89 -242.958 -20.453 112.467 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -243.117 -19.030 114.399 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.735 -19.520 113.938 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.112 -21.587 112.667 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -243.781 -22.740 112.408 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.485 -22.543 114.031 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.464 -19.570 116.367 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -244.752 -21.210 115.739 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.109 -20.712 116.207 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.703 -21.760 111.982 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.126 -22.449 110.837 1.00 0.00 C ATOM 1455 C LEU A 90 -238.814 -23.137 111.188 1.00 0.00 C ATOM 1456 O LEU A 90 -238.515 -24.208 110.664 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.915 -21.452 109.698 1.00 0.00 C ATOM 1458 CG LEU A 90 -241.195 -20.794 109.178 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.870 -19.529 108.403 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.975 -21.765 108.305 1.00 0.00 C ATOM 0 H LEU A 90 -240.651 -20.743 111.922 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.822 -23.227 110.523 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.234 -20.672 110.038 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.425 -21.965 108.871 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.813 -20.523 110.034 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.793 -19.076 108.042 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -240.352 -18.826 109.055 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -240.231 -19.776 107.555 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.882 -21.281 107.944 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -241.361 -22.065 107.456 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -242.242 -22.646 108.889 1.00 0.00 H new ATOM 1472 N SER A 91 -238.037 -22.537 112.084 1.00 0.00 N ATOM 1473 CA SER A 91 -236.750 -23.109 112.464 1.00 0.00 C ATOM 1474 C SER A 91 -236.934 -24.294 113.412 1.00 0.00 C ATOM 1475 O SER A 91 -235.975 -24.996 113.730 1.00 0.00 O ATOM 1476 CB SER A 91 -235.856 -22.049 113.106 1.00 0.00 C ATOM 1477 OG SER A 91 -235.684 -20.935 112.239 1.00 0.00 O ATOM 0 H SER A 91 -238.272 -21.664 112.556 1.00 0.00 H new ATOM 0 HA SER A 91 -236.265 -23.470 111.557 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.296 -21.718 114.047 1.00 0.00 H new ATOM 0 HB3 SER A 91 -234.885 -22.483 113.344 1.00 0.00 H new ATOM 0 HG SER A 91 -236.345 -20.245 112.457 1.00 0.00 H new ATOM 1658 N ILE A 103 -248.868 -20.833 106.159 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.346 -19.557 106.680 1.00 0.00 C ATOM 1660 C ILE A 103 -250.502 -18.995 105.871 1.00 0.00 C ATOM 1661 O ILE A 103 -250.439 -18.899 104.643 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.228 -18.494 106.723 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.046 -18.997 107.560 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.761 -17.182 107.289 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -245.972 -17.955 107.793 1.00 0.00 C ATOM 0 HA ILE A 103 -249.688 -19.773 107.692 1.00 0.00 H new ATOM 0 HB ILE A 103 -247.881 -18.315 105.705 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.418 -19.344 108.524 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -246.601 -19.858 107.062 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -247.960 -16.444 107.312 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.573 -16.817 106.659 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.132 -17.346 108.301 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.170 -18.386 108.392 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.571 -17.625 106.835 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.400 -17.102 108.320 1.00 0.00 H new ATOM 1677 N VAL A 104 -251.544 -18.603 106.581 1.00 0.00 N ATOM 1678 CA VAL A 104 -252.648 -17.877 106.008 1.00 0.00 C ATOM 1679 C VAL A 104 -252.730 -16.520 106.656 1.00 0.00 C ATOM 1680 O VAL A 104 -252.952 -16.411 107.860 1.00 0.00 O ATOM 1681 CB VAL A 104 -253.993 -18.595 106.210 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.232 -19.630 105.123 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.055 -19.226 107.574 1.00 0.00 C ATOM 0 H VAL A 104 -251.643 -18.784 107.580 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.467 -17.799 104.936 1.00 0.00 H new ATOM 0 HB VAL A 104 -254.787 -17.851 106.139 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.190 -20.121 105.292 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.243 -19.140 104.150 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.435 -20.373 105.146 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.014 -19.729 107.699 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.248 -19.952 107.676 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -253.948 -18.455 108.337 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.487 -15.490 105.880 1.00 0.00 N ATOM 1694 CA LEU A 105 -252.723 -14.155 106.362 1.00 0.00 C ATOM 1695 C LEU A 105 -254.226 -13.993 106.529 1.00 0.00 C ATOM 1696 O LEU A 105 -254.979 -13.949 105.557 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.194 -13.120 105.388 1.00 0.00 C ATOM 1698 CG LEU A 105 -251.954 -11.756 106.004 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -250.909 -11.885 107.089 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.525 -10.757 104.943 1.00 0.00 C ATOM 0 H LEU A 105 -252.131 -15.551 104.926 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.204 -14.004 107.309 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.259 -13.483 104.961 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -252.901 -13.016 104.565 1.00 0.00 H new ATOM 0 HG LEU A 105 -252.880 -11.384 106.444 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -250.729 -10.909 107.539 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.262 -12.577 107.854 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -249.982 -12.262 106.658 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.358 -9.784 105.406 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.603 -11.099 104.473 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.306 -10.670 104.188 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.643 -13.960 107.761 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.039 -13.889 108.102 1.00 0.00 C ATOM 1714 C LYS A 106 -256.403 -12.465 108.493 1.00 0.00 C ATOM 1715 O LYS A 106 -255.567 -11.560 108.447 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.354 -14.846 109.251 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.282 -16.314 108.862 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.453 -16.727 107.978 1.00 0.00 C ATOM 1719 CE LYS A 106 -257.437 -18.226 107.698 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.650 -18.675 106.963 1.00 0.00 N ATOM 0 H LYS A 106 -254.019 -13.982 108.568 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.629 -14.182 107.234 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -255.656 -14.661 110.068 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.353 -14.628 109.630 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.346 -16.505 108.337 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.273 -16.928 109.763 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -258.391 -16.456 108.463 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -257.411 -16.179 107.037 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -256.549 -18.476 107.117 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -257.364 -18.769 108.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -258.595 -19.700 106.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -259.497 -18.462 107.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.708 -18.178 106.051 1.00 0.00 H new ATOM 1734 N THR A 107 -257.633 -12.279 108.911 1.00 0.00 N ATOM 1735 CA THR A 107 -258.115 -11.000 109.315 1.00 0.00 C ATOM 1736 C THR A 107 -258.706 -11.159 110.706 1.00 0.00 C ATOM 1737 O THR A 107 -259.152 -12.248 111.073 1.00 0.00 O ATOM 1738 CB THR A 107 -259.220 -10.488 108.369 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.353 -11.362 108.424 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.735 -10.405 106.934 1.00 0.00 C ATOM 0 H THR A 107 -258.326 -13.025 108.977 1.00 0.00 H new ATOM 0 HA THR A 107 -257.294 -10.283 109.295 1.00 0.00 H new ATOM 0 HB THR A 107 -259.496 -9.487 108.701 1.00 0.00 H new ATOM 0 HG1 THR A 107 -261.052 -11.030 107.822 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.542 -10.040 106.298 1.00 0.00 H new ATOM 0 HG22 THR A 107 -257.889 -9.721 106.875 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.426 -11.394 106.597 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.714 -10.096 111.464 1.00 0.00 N ATOM 1749 CA GLN A 108 -259.404 -10.062 112.758 1.00 0.00 C ATOM 1750 C GLN A 108 -260.910 -9.922 112.548 1.00 0.00 C ATOM 1751 O GLN A 108 -261.622 -9.327 113.358 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.876 -8.909 113.618 1.00 0.00 C ATOM 1753 CG GLN A 108 -257.737 -9.306 114.544 1.00 0.00 C ATOM 1754 CD GLN A 108 -258.181 -10.261 115.637 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -259.431 -10.135 116.067 1.00 0.00 O flip ATOM 1756 NE2 GLN A 108 -257.407 -11.100 116.097 1.00 0.00 N flip ATOM 0 H GLN A 108 -258.248 -9.223 111.217 1.00 0.00 H new ATOM 0 HA GLN A 108 -259.209 -10.998 113.281 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -258.537 -8.106 112.964 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -259.695 -8.509 114.216 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -256.944 -9.772 113.959 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -257.314 -8.410 114.999 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -256.454 -11.165 115.739 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -257.719 -11.730 116.836 1.00 0.00 H new