USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=13 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 Set 1.1: A 58 MET CE :methyl -174:sc= -3.84! (180deg=-3.97!) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -177:sc= -0.261 (180deg=-0.33) USER MOD Set 2.1: A 36 GLN : amide:sc= -0.272 K(o=-1.5,f=-3.9!) USER MOD Set 2.2: A 39 GLN : amide:sc= -1.18 K(o=-1.5,f=-0.32) USER MOD Single : A 9 THR OG1 : rot -33:sc= 0.178 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= -0.139 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.000925 X(o=-0.00093,f=-0.027) USER MOD Single : A 32 THR OG1 : rot 35:sc= -3! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -2.58 K(o=-2.6,f=-0.7) USER MOD Single : A 43 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 53 THR OG1 : rot 119:sc= 1.4 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -159:sc= -0.0703 (180deg=-0.859) USER MOD Single : A 88 GLN : amide:sc= 0.713 K(o=0.71,f=-0.63) USER MOD Single : A 91 SER OG : rot -29:sc= 0.395 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 133 N THR A 9 -231.668 -12.619 104.378 1.00 0.00 N ATOM 134 CA THR A 9 -232.980 -12.382 103.797 1.00 0.00 C ATOM 135 C THR A 9 -233.598 -13.713 103.374 1.00 0.00 C ATOM 136 O THR A 9 -232.971 -14.497 102.662 1.00 0.00 O ATOM 137 CB THR A 9 -232.874 -11.451 102.567 1.00 0.00 C ATOM 138 OG1 THR A 9 -231.870 -11.937 101.663 1.00 0.00 O ATOM 139 CG2 THR A 9 -232.534 -10.023 102.972 1.00 0.00 C ATOM 0 HA THR A 9 -233.610 -11.901 104.546 1.00 0.00 H new ATOM 0 HB THR A 9 -233.847 -11.448 102.075 1.00 0.00 H new ATOM 0 HG1 THR A 9 -231.149 -12.362 102.173 1.00 0.00 H new ATOM 0 HG21 THR A 9 -232.468 -9.398 102.081 1.00 0.00 H new ATOM 0 HG22 THR A 9 -233.312 -9.636 103.630 1.00 0.00 H new ATOM 0 HG23 THR A 9 -231.578 -10.011 103.495 1.00 0.00 H new ATOM 147 N HIS A 10 -234.806 -13.985 103.843 1.00 0.00 N ATOM 148 CA HIS A 10 -235.498 -15.226 103.501 1.00 0.00 C ATOM 149 C HIS A 10 -236.917 -14.931 103.073 1.00 0.00 C ATOM 150 O HIS A 10 -237.572 -14.075 103.642 1.00 0.00 O ATOM 151 CB HIS A 10 -235.524 -16.202 104.681 1.00 0.00 C ATOM 152 CG HIS A 10 -234.197 -16.805 105.019 1.00 0.00 C ATOM 153 ND1 HIS A 10 -233.882 -18.116 104.748 1.00 0.00 N ATOM 154 CD2 HIS A 10 -233.112 -16.280 105.630 1.00 0.00 C ATOM 155 CE1 HIS A 10 -232.663 -18.374 105.179 1.00 0.00 C ATOM 156 NE2 HIS A 10 -232.170 -17.275 105.721 1.00 0.00 N ATOM 0 H HIS A 10 -235.330 -13.366 104.461 1.00 0.00 H new ATOM 0 HA HIS A 10 -234.949 -15.689 102.681 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -235.906 -15.680 105.559 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -236.227 -17.005 104.457 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -233.005 -15.265 105.982 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -232.154 -19.323 105.102 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -231.244 -17.181 106.138 1.00 0.00 H new ATOM 165 N ARG A 11 -237.386 -15.627 102.069 1.00 0.00 N ATOM 166 CA ARG A 11 -238.715 -15.424 101.576 1.00 0.00 C ATOM 167 C ARG A 11 -239.681 -16.440 102.163 1.00 0.00 C ATOM 168 O ARG A 11 -239.421 -17.644 102.152 1.00 0.00 O ATOM 169 CB ARG A 11 -238.704 -15.495 100.071 1.00 0.00 C ATOM 170 CG ARG A 11 -239.374 -14.295 99.481 1.00 0.00 C ATOM 171 CD ARG A 11 -238.822 -13.946 98.121 1.00 0.00 C ATOM 172 NE ARG A 11 -238.886 -15.070 97.187 1.00 0.00 N ATOM 173 CZ ARG A 11 -239.668 -15.105 96.108 1.00 0.00 C ATOM 174 NH1 ARG A 11 -240.478 -14.089 95.832 1.00 0.00 N ATOM 175 NH2 ARG A 11 -239.641 -16.161 95.305 1.00 0.00 N ATOM 0 H ARG A 11 -236.857 -16.346 101.575 1.00 0.00 H new ATOM 0 HA ARG A 11 -239.060 -14.437 101.885 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -237.677 -15.557 99.712 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -239.212 -16.401 99.741 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -240.445 -14.482 99.400 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -239.249 -13.445 100.151 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -239.380 -13.104 97.711 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -237.786 -13.622 98.225 1.00 0.00 H new ATOM 0 HE ARG A 11 -238.294 -15.879 97.373 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -240.504 -13.276 96.447 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -241.074 -14.122 95.005 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -239.022 -16.945 95.514 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -240.239 -16.189 94.479 1.00 0.00 H new ATOM 189 N VAL A 12 -240.802 -15.947 102.654 1.00 0.00 N ATOM 190 CA VAL A 12 -241.800 -16.780 103.296 1.00 0.00 C ATOM 191 C VAL A 12 -243.078 -16.768 102.469 1.00 0.00 C ATOM 192 O VAL A 12 -243.637 -15.706 102.183 1.00 0.00 O ATOM 193 CB VAL A 12 -242.071 -16.304 104.743 1.00 0.00 C ATOM 194 CG1 VAL A 12 -242.248 -14.794 104.792 1.00 0.00 C ATOM 195 CG2 VAL A 12 -243.281 -17.011 105.336 1.00 0.00 C ATOM 0 H VAL A 12 -241.046 -14.957 102.619 1.00 0.00 H new ATOM 0 HA VAL A 12 -241.425 -17.802 103.354 1.00 0.00 H new ATOM 0 HB VAL A 12 -241.203 -16.564 105.348 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -242.437 -14.483 105.819 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -241.342 -14.309 104.427 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -243.091 -14.506 104.164 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -243.447 -16.656 106.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -244.161 -16.797 104.729 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -243.103 -18.086 105.351 1.00 0.00 H new ATOM 205 N THR A 13 -243.508 -17.943 102.040 1.00 0.00 N ATOM 206 CA THR A 13 -244.655 -18.053 101.160 1.00 0.00 C ATOM 207 C THR A 13 -245.943 -17.828 101.954 1.00 0.00 C ATOM 208 O THR A 13 -246.280 -18.620 102.836 1.00 0.00 O ATOM 209 CB THR A 13 -244.739 -19.446 100.516 1.00 0.00 C ATOM 210 OG1 THR A 13 -243.461 -19.820 99.976 1.00 0.00 O ATOM 211 CG2 THR A 13 -245.795 -19.459 99.415 1.00 0.00 C ATOM 0 H THR A 13 -243.078 -18.834 102.288 1.00 0.00 H new ATOM 0 HA THR A 13 -244.539 -17.300 100.381 1.00 0.00 H new ATOM 0 HB THR A 13 -245.024 -20.167 101.283 1.00 0.00 H new ATOM 0 HG1 THR A 13 -243.525 -20.710 99.570 1.00 0.00 H new ATOM 0 HG21 THR A 13 -245.843 -20.452 98.968 1.00 0.00 H new ATOM 0 HG22 THR A 13 -246.766 -19.205 99.839 1.00 0.00 H new ATOM 0 HG23 THR A 13 -245.531 -18.729 98.649 1.00 0.00 H new ATOM 219 N VAL A 14 -246.658 -16.765 101.644 1.00 0.00 N ATOM 220 CA VAL A 14 -247.884 -16.438 102.352 1.00 0.00 C ATOM 221 C VAL A 14 -249.084 -17.041 101.621 1.00 0.00 C ATOM 222 O VAL A 14 -249.273 -16.813 100.430 1.00 0.00 O ATOM 223 CB VAL A 14 -248.043 -14.912 102.481 1.00 0.00 C ATOM 224 CG1 VAL A 14 -249.126 -14.550 103.482 1.00 0.00 C ATOM 225 CG2 VAL A 14 -246.720 -14.275 102.875 1.00 0.00 C ATOM 0 H VAL A 14 -246.411 -16.109 100.903 1.00 0.00 H new ATOM 0 HA VAL A 14 -247.834 -16.861 103.355 1.00 0.00 H new ATOM 0 HB VAL A 14 -248.346 -14.523 101.509 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -249.212 -13.465 103.549 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -250.078 -14.970 103.156 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -248.867 -14.954 104.461 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -246.847 -13.196 102.963 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -246.392 -14.680 103.832 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -245.971 -14.491 102.113 1.00 0.00 H new ATOM 235 N HIS A 15 -249.889 -17.813 102.344 1.00 0.00 N ATOM 236 CA HIS A 15 -250.960 -18.614 101.745 1.00 0.00 C ATOM 237 C HIS A 15 -252.345 -18.006 101.953 1.00 0.00 C ATOM 238 O HIS A 15 -253.350 -18.644 101.648 1.00 0.00 O ATOM 239 CB HIS A 15 -250.929 -20.032 102.338 1.00 0.00 C ATOM 240 CG HIS A 15 -250.190 -21.022 101.492 1.00 0.00 C ATOM 241 ND1 HIS A 15 -250.793 -22.104 100.886 1.00 0.00 N ATOM 242 CD2 HIS A 15 -248.879 -21.090 101.158 1.00 0.00 C ATOM 243 CE1 HIS A 15 -249.886 -22.793 100.216 1.00 0.00 C ATOM 244 NE2 HIS A 15 -248.718 -22.198 100.364 1.00 0.00 N ATOM 0 H HIS A 15 -249.821 -17.903 103.358 1.00 0.00 H new ATOM 0 HA HIS A 15 -250.780 -18.640 100.670 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -250.467 -19.994 103.324 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -251.952 -20.380 102.479 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -248.105 -20.401 101.460 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -250.070 -23.691 99.644 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -247.838 -22.511 99.955 1.00 0.00 H new ATOM 253 N GLY A 16 -252.412 -16.788 102.470 1.00 0.00 N ATOM 254 CA GLY A 16 -253.713 -16.176 102.698 1.00 0.00 C ATOM 255 C GLY A 16 -253.795 -14.732 102.237 1.00 0.00 C ATOM 256 O GLY A 16 -254.578 -13.953 102.767 1.00 0.00 O ATOM 0 H GLY A 16 -251.608 -16.218 102.733 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -254.475 -16.758 102.179 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -253.946 -16.223 103.762 1.00 0.00 H new ATOM 260 N VAL A 17 -252.997 -14.374 101.249 1.00 0.00 N ATOM 261 CA VAL A 17 -252.950 -13.003 100.764 1.00 0.00 C ATOM 262 C VAL A 17 -253.996 -12.771 99.672 1.00 0.00 C ATOM 263 O VAL A 17 -254.422 -13.711 99.001 1.00 0.00 O ATOM 264 CB VAL A 17 -251.534 -12.636 100.225 1.00 0.00 C ATOM 265 CG1 VAL A 17 -250.522 -13.715 100.552 1.00 0.00 C ATOM 266 CG2 VAL A 17 -251.541 -12.369 98.724 1.00 0.00 C ATOM 0 H VAL A 17 -252.369 -15.015 100.763 1.00 0.00 H new ATOM 0 HA VAL A 17 -253.174 -12.355 101.611 1.00 0.00 H new ATOM 0 HB VAL A 17 -251.242 -11.715 100.729 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -249.545 -13.428 100.162 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -250.459 -13.839 101.633 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -250.832 -14.655 100.096 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -250.533 -12.117 98.394 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -251.883 -13.260 98.198 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -252.212 -11.538 98.505 1.00 0.00 H new ATOM 326 N PRO A 22 -252.536 -16.238 94.845 1.00 0.00 N ATOM 327 CA PRO A 22 -253.323 -16.830 95.927 1.00 0.00 C ATOM 328 C PRO A 22 -252.425 -17.089 97.107 1.00 0.00 C ATOM 329 O PRO A 22 -252.801 -16.980 98.274 1.00 0.00 O ATOM 330 CB PRO A 22 -253.807 -18.155 95.332 1.00 0.00 C ATOM 331 CG PRO A 22 -253.323 -18.159 93.916 1.00 0.00 C ATOM 332 CD PRO A 22 -252.168 -17.236 93.844 1.00 0.00 C ATOM 0 HA PRO A 22 -254.141 -16.197 96.271 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -253.406 -19.004 95.886 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -254.893 -18.231 95.375 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -253.031 -19.164 93.612 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -254.114 -17.838 93.238 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -251.229 -17.733 94.086 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -252.052 -16.800 92.852 1.00 0.00 H new ATOM 340 N PHE A 23 -251.226 -17.456 96.743 1.00 0.00 N ATOM 341 CA PHE A 23 -250.126 -17.604 97.670 1.00 0.00 C ATOM 342 C PHE A 23 -248.902 -16.938 97.069 1.00 0.00 C ATOM 343 O PHE A 23 -248.542 -17.202 95.922 1.00 0.00 O ATOM 344 CB PHE A 23 -249.859 -19.085 97.993 1.00 0.00 C ATOM 345 CG PHE A 23 -249.560 -19.953 96.798 1.00 0.00 C ATOM 346 CD1 PHE A 23 -250.586 -20.450 96.010 1.00 0.00 C ATOM 347 CD2 PHE A 23 -248.251 -20.280 96.472 1.00 0.00 C ATOM 348 CE1 PHE A 23 -250.313 -21.254 94.921 1.00 0.00 C ATOM 349 CE2 PHE A 23 -247.973 -21.083 95.382 1.00 0.00 C ATOM 350 CZ PHE A 23 -249.006 -21.571 94.606 1.00 0.00 C ATOM 0 H PHE A 23 -250.977 -17.666 95.776 1.00 0.00 H new ATOM 0 HA PHE A 23 -250.377 -17.123 98.615 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -249.020 -19.145 98.686 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -250.728 -19.491 98.510 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -251.610 -20.206 96.250 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -247.440 -19.902 97.077 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -251.122 -21.635 94.315 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -246.950 -21.328 95.138 1.00 0.00 H new ATOM 0 HZ PHE A 23 -248.792 -22.200 93.754 1.00 0.00 H new ATOM 360 N THR A 24 -248.278 -16.066 97.835 1.00 0.00 N ATOM 361 CA THR A 24 -247.165 -15.284 97.337 1.00 0.00 C ATOM 362 C THR A 24 -246.121 -15.100 98.430 1.00 0.00 C ATOM 363 O THR A 24 -246.446 -14.942 99.604 1.00 0.00 O ATOM 364 CB THR A 24 -247.643 -13.919 96.794 1.00 0.00 C ATOM 365 OG1 THR A 24 -246.546 -13.177 96.255 1.00 0.00 O ATOM 366 CG2 THR A 24 -248.326 -13.103 97.873 1.00 0.00 C ATOM 0 H THR A 24 -248.524 -15.881 98.807 1.00 0.00 H new ATOM 0 HA THR A 24 -246.708 -15.826 96.509 1.00 0.00 H new ATOM 0 HB THR A 24 -248.365 -14.119 96.002 1.00 0.00 H new ATOM 0 HG1 THR A 24 -246.869 -12.317 95.915 1.00 0.00 H new ATOM 0 HG21 THR A 24 -248.650 -12.149 97.457 1.00 0.00 H new ATOM 0 HG22 THR A 24 -249.192 -13.648 98.248 1.00 0.00 H new ATOM 0 HG23 THR A 24 -247.628 -12.924 98.691 1.00 0.00 H new ATOM 374 N VAL A 25 -244.870 -15.140 98.026 1.00 0.00 N ATOM 375 CA VAL A 25 -243.753 -15.194 98.952 1.00 0.00 C ATOM 376 C VAL A 25 -243.031 -13.843 99.017 1.00 0.00 C ATOM 377 O VAL A 25 -242.615 -13.311 97.988 1.00 0.00 O ATOM 378 CB VAL A 25 -242.764 -16.270 98.473 1.00 0.00 C ATOM 379 CG1 VAL A 25 -241.803 -16.686 99.558 1.00 0.00 C ATOM 380 CG2 VAL A 25 -243.487 -17.472 97.890 1.00 0.00 C ATOM 0 H VAL A 25 -244.595 -15.136 97.044 1.00 0.00 H new ATOM 0 HA VAL A 25 -244.131 -15.434 99.946 1.00 0.00 H new ATOM 0 HB VAL A 25 -242.172 -15.818 97.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -241.125 -17.447 99.171 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -241.228 -15.820 99.886 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -242.361 -17.092 100.402 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -242.757 -18.212 97.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -244.133 -17.912 98.650 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -244.091 -17.156 97.039 1.00 0.00 H new ATOM 390 N PHE A 26 -242.878 -13.288 100.217 1.00 0.00 N ATOM 391 CA PHE A 26 -242.184 -12.005 100.367 1.00 0.00 C ATOM 392 C PHE A 26 -240.901 -12.169 101.154 1.00 0.00 C ATOM 393 O PHE A 26 -240.800 -13.041 102.019 1.00 0.00 O ATOM 394 CB PHE A 26 -243.060 -10.948 101.036 1.00 0.00 C ATOM 395 CG PHE A 26 -244.363 -10.723 100.331 1.00 0.00 C ATOM 396 CD1 PHE A 26 -244.441 -9.811 99.298 1.00 0.00 C ATOM 397 CD2 PHE A 26 -245.505 -11.422 100.696 1.00 0.00 C ATOM 398 CE1 PHE A 26 -245.630 -9.593 98.637 1.00 0.00 C ATOM 399 CE2 PHE A 26 -246.697 -11.207 100.040 1.00 0.00 C ATOM 400 CZ PHE A 26 -246.760 -10.292 99.008 1.00 0.00 C ATOM 0 H PHE A 26 -243.218 -13.696 101.088 1.00 0.00 H new ATOM 0 HA PHE A 26 -241.949 -11.662 99.359 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -243.259 -11.249 102.064 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -242.512 -10.007 101.080 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -243.559 -9.261 99.004 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -245.459 -12.140 101.501 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -245.677 -8.877 97.830 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -247.581 -11.754 100.333 1.00 0.00 H new ATOM 0 HZ PHE A 26 -247.693 -10.124 98.491 1.00 0.00 H new ATOM 410 N THR A 27 -239.923 -11.336 100.842 1.00 0.00 N ATOM 411 CA THR A 27 -238.596 -11.473 101.413 1.00 0.00 C ATOM 412 C THR A 27 -238.473 -10.722 102.725 1.00 0.00 C ATOM 413 O THR A 27 -238.972 -9.606 102.873 1.00 0.00 O ATOM 414 CB THR A 27 -237.510 -10.973 100.447 1.00 0.00 C ATOM 415 OG1 THR A 27 -238.007 -10.995 99.101 1.00 0.00 O ATOM 416 CG2 THR A 27 -236.273 -11.854 100.545 1.00 0.00 C ATOM 0 H THR A 27 -240.025 -10.555 100.194 1.00 0.00 H new ATOM 0 HA THR A 27 -238.448 -12.537 101.596 1.00 0.00 H new ATOM 0 HB THR A 27 -237.243 -9.952 100.719 1.00 0.00 H new ATOM 0 HG1 THR A 27 -237.311 -10.674 98.490 1.00 0.00 H new ATOM 0 HG21 THR A 27 -235.511 -11.489 99.856 1.00 0.00 H new ATOM 0 HG22 THR A 27 -235.885 -11.825 101.563 1.00 0.00 H new ATOM 0 HG23 THR A 27 -236.535 -12.880 100.286 1.00 0.00 H new ATOM 424 N ILE A 28 -237.810 -11.355 103.668 1.00 0.00 N ATOM 425 CA ILE A 28 -237.562 -10.773 104.967 1.00 0.00 C ATOM 426 C ILE A 28 -236.088 -10.427 105.085 1.00 0.00 C ATOM 427 O ILE A 28 -235.332 -10.630 104.142 1.00 0.00 O ATOM 428 CB ILE A 28 -237.960 -11.750 106.084 1.00 0.00 C ATOM 429 CG1 ILE A 28 -236.902 -12.838 106.262 1.00 0.00 C ATOM 430 CG2 ILE A 28 -239.300 -12.377 105.742 1.00 0.00 C ATOM 431 CD1 ILE A 28 -237.215 -13.797 107.374 1.00 0.00 C ATOM 0 H ILE A 28 -237.426 -12.293 103.554 1.00 0.00 H new ATOM 0 HA ILE A 28 -238.163 -9.870 105.072 1.00 0.00 H new ATOM 0 HB ILE A 28 -238.037 -11.201 107.022 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -236.803 -13.394 105.330 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -235.938 -12.369 106.457 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -239.589 -13.072 106.531 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -240.055 -11.596 105.652 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -239.220 -12.914 104.797 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -236.423 -14.543 107.445 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -237.286 -13.252 108.315 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -238.164 -14.293 107.170 1.00 0.00 H new ATOM 443 N ASN A 29 -235.683 -9.938 106.239 1.00 0.00 N ATOM 444 CA ASN A 29 -234.295 -9.591 106.475 1.00 0.00 C ATOM 445 C ASN A 29 -233.998 -9.632 107.971 1.00 0.00 C ATOM 446 O ASN A 29 -234.827 -9.228 108.789 1.00 0.00 O ATOM 447 CB ASN A 29 -233.961 -8.206 105.906 1.00 0.00 C ATOM 448 CG ASN A 29 -234.686 -7.079 106.614 1.00 0.00 C ATOM 449 OD1 ASN A 29 -234.185 -6.515 107.588 1.00 0.00 O ATOM 450 ND2 ASN A 29 -235.862 -6.735 106.124 1.00 0.00 N ATOM 0 H ASN A 29 -236.300 -9.771 107.034 1.00 0.00 H new ATOM 0 HA ASN A 29 -233.670 -10.322 105.962 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -232.886 -8.040 105.979 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -234.216 -8.184 104.846 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -236.391 -5.976 106.554 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -236.242 -7.228 105.316 1.00 0.00 H new ATOM 457 N GLY A 30 -232.825 -10.145 108.320 1.00 0.00 N ATOM 458 CA GLY A 30 -232.409 -10.198 109.712 1.00 0.00 C ATOM 459 C GLY A 30 -233.333 -11.034 110.578 1.00 0.00 C ATOM 460 O GLY A 30 -233.568 -10.703 111.738 1.00 0.00 O ATOM 0 H GLY A 30 -232.149 -10.528 107.660 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -231.400 -10.606 109.768 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -232.365 -9.185 110.111 1.00 0.00 H new ATOM 464 N GLY A 31 -233.870 -12.106 110.010 1.00 0.00 N ATOM 465 CA GLY A 31 -234.760 -12.982 110.755 1.00 0.00 C ATOM 466 C GLY A 31 -236.189 -12.469 110.816 1.00 0.00 C ATOM 467 O GLY A 31 -237.128 -13.238 110.613 1.00 0.00 O ATOM 0 H GLY A 31 -233.706 -12.387 109.043 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -234.755 -13.971 110.296 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -234.379 -13.099 111.769 1.00 0.00 H new ATOM 471 N THR A 32 -236.340 -11.166 111.085 1.00 0.00 N ATOM 472 CA THR A 32 -237.641 -10.495 111.235 1.00 0.00 C ATOM 473 C THR A 32 -238.548 -11.133 112.286 1.00 0.00 C ATOM 474 O THR A 32 -238.293 -12.222 112.806 1.00 0.00 O ATOM 475 CB THR A 32 -238.439 -10.364 109.915 1.00 0.00 C ATOM 476 OG1 THR A 32 -238.285 -11.521 109.096 1.00 0.00 O ATOM 477 CG2 THR A 32 -238.021 -9.118 109.145 1.00 0.00 C ATOM 0 H THR A 32 -235.548 -10.535 111.207 1.00 0.00 H new ATOM 0 HA THR A 32 -237.357 -9.498 111.572 1.00 0.00 H new ATOM 0 HB THR A 32 -239.492 -10.272 110.181 1.00 0.00 H new ATOM 0 HG1 THR A 32 -238.214 -12.317 109.664 1.00 0.00 H new ATOM 0 HG21 THR A 32 -238.597 -9.050 108.222 1.00 0.00 H new ATOM 0 HG22 THR A 32 -238.207 -8.234 109.755 1.00 0.00 H new ATOM 0 HG23 THR A 32 -236.959 -9.177 108.906 1.00 0.00 H new ATOM 485 N LYS A 33 -239.606 -10.410 112.603 1.00 0.00 N ATOM 486 CA LYS A 33 -240.687 -10.935 113.407 1.00 0.00 C ATOM 487 C LYS A 33 -241.957 -10.892 112.584 1.00 0.00 C ATOM 488 O LYS A 33 -242.011 -10.190 111.576 1.00 0.00 O ATOM 489 CB LYS A 33 -240.862 -10.161 114.702 1.00 0.00 C ATOM 490 CG LYS A 33 -241.177 -8.713 114.492 1.00 0.00 C ATOM 491 CD LYS A 33 -239.919 -7.876 114.342 1.00 0.00 C ATOM 492 CE LYS A 33 -239.106 -7.837 115.627 1.00 0.00 C ATOM 493 NZ LYS A 33 -237.860 -7.043 115.465 1.00 0.00 N ATOM 0 H LYS A 33 -239.737 -9.442 112.309 1.00 0.00 H new ATOM 0 HA LYS A 33 -240.452 -11.961 113.688 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -241.662 -10.618 115.284 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -239.950 -10.245 115.293 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -241.796 -8.601 113.601 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -241.761 -8.343 115.334 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -239.306 -8.283 113.537 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -240.191 -6.861 114.054 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -239.710 -7.408 116.427 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -238.853 -8.853 115.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -237.332 -7.039 116.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -237.273 -7.467 114.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -238.102 -6.067 115.202 1.00 0.00 H new ATOM 507 N ALA A 34 -242.980 -11.602 113.017 1.00 0.00 N ATOM 508 CA ALA A 34 -244.172 -11.800 112.206 1.00 0.00 C ATOM 509 C ALA A 34 -244.922 -10.495 111.941 1.00 0.00 C ATOM 510 O ALA A 34 -245.672 -10.398 110.980 1.00 0.00 O ATOM 511 CB ALA A 34 -245.082 -12.808 112.878 1.00 0.00 C ATOM 0 H ALA A 34 -243.012 -12.055 113.930 1.00 0.00 H new ATOM 0 HA ALA A 34 -243.853 -12.181 111.236 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -245.974 -12.955 112.269 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -244.556 -13.757 112.987 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -245.371 -12.438 113.862 1.00 0.00 H new ATOM 517 N LYS A 35 -244.723 -9.498 112.792 1.00 0.00 N ATOM 518 CA LYS A 35 -245.412 -8.214 112.622 1.00 0.00 C ATOM 519 C LYS A 35 -244.678 -7.349 111.607 1.00 0.00 C ATOM 520 O LYS A 35 -245.285 -6.806 110.678 1.00 0.00 O ATOM 521 CB LYS A 35 -245.595 -7.470 113.953 1.00 0.00 C ATOM 522 CG LYS A 35 -244.314 -7.140 114.702 1.00 0.00 C ATOM 523 CD LYS A 35 -244.622 -6.355 115.967 1.00 0.00 C ATOM 524 CE LYS A 35 -243.380 -6.103 116.802 1.00 0.00 C ATOM 525 NZ LYS A 35 -243.712 -5.451 118.094 1.00 0.00 N ATOM 0 H LYS A 35 -244.100 -9.545 113.598 1.00 0.00 H new ATOM 0 HA LYS A 35 -246.412 -8.427 112.243 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -246.131 -6.541 113.759 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -246.229 -8.074 114.602 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -243.788 -8.060 114.957 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -243.650 -6.561 114.060 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -245.077 -5.402 115.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -245.353 -6.901 116.563 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -242.870 -7.048 116.991 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -242.687 -5.473 116.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -242.840 -5.294 118.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -244.176 -4.538 117.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -244.353 -6.064 118.637 1.00 0.00 H new ATOM 539 N GLN A 36 -243.364 -7.237 111.786 1.00 0.00 N ATOM 540 CA GLN A 36 -242.505 -6.582 110.812 1.00 0.00 C ATOM 541 C GLN A 36 -242.658 -7.288 109.481 1.00 0.00 C ATOM 542 O GLN A 36 -242.482 -6.711 108.407 1.00 0.00 O ATOM 543 CB GLN A 36 -241.042 -6.661 111.262 1.00 0.00 C ATOM 544 CG GLN A 36 -240.074 -5.896 110.375 1.00 0.00 C ATOM 545 CD GLN A 36 -240.109 -4.400 110.614 1.00 0.00 C ATOM 546 OE1 GLN A 36 -241.136 -3.837 110.995 1.00 0.00 O ATOM 547 NE2 GLN A 36 -238.979 -3.747 110.399 1.00 0.00 N ATOM 0 H GLN A 36 -242.871 -7.595 112.604 1.00 0.00 H new ATOM 0 HA GLN A 36 -242.790 -5.534 110.721 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -240.966 -6.277 112.279 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -240.739 -7.708 111.293 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -239.062 -6.263 110.549 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -240.310 -6.097 109.330 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -238.151 -4.252 110.084 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -238.936 -2.739 110.549 1.00 0.00 H new ATOM 556 N LEU A 37 -242.981 -8.558 109.563 1.00 0.00 N ATOM 557 CA LEU A 37 -243.123 -9.350 108.388 1.00 0.00 C ATOM 558 C LEU A 37 -244.478 -9.245 107.759 1.00 0.00 C ATOM 559 O LEU A 37 -244.585 -9.269 106.546 1.00 0.00 O ATOM 560 CB LEU A 37 -242.782 -10.786 108.668 1.00 0.00 C ATOM 561 CG LEU A 37 -241.818 -11.296 107.647 1.00 0.00 C ATOM 562 CD1 LEU A 37 -242.521 -11.375 106.311 1.00 0.00 C ATOM 563 CD2 LEU A 37 -240.668 -10.314 107.551 1.00 0.00 C ATOM 0 H LEU A 37 -243.148 -9.055 110.438 1.00 0.00 H new ATOM 0 HA LEU A 37 -242.415 -8.946 107.664 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -242.350 -10.877 109.664 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -243.688 -11.391 108.657 1.00 0.00 H new ATOM 0 HG LEU A 37 -241.448 -12.283 107.925 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -241.828 -11.746 105.556 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -243.372 -12.052 106.387 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -242.872 -10.383 106.025 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -239.950 -10.666 106.810 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -241.048 -9.337 107.253 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -240.178 -10.232 108.521 1.00 0.00 H new ATOM 575 N LEU A 38 -245.508 -9.143 108.555 1.00 0.00 N ATOM 576 CA LEU A 38 -246.828 -8.934 108.017 1.00 0.00 C ATOM 577 C LEU A 38 -246.772 -7.722 107.088 1.00 0.00 C ATOM 578 O LEU A 38 -247.357 -7.718 106.029 1.00 0.00 O ATOM 579 CB LEU A 38 -247.821 -8.737 109.164 1.00 0.00 C ATOM 580 CG LEU A 38 -249.296 -8.931 108.816 1.00 0.00 C ATOM 581 CD1 LEU A 38 -250.068 -7.669 109.145 1.00 0.00 C ATOM 582 CD2 LEU A 38 -249.470 -9.322 107.350 1.00 0.00 C ATOM 0 H LEU A 38 -245.461 -9.201 109.572 1.00 0.00 H new ATOM 0 HA LEU A 38 -247.166 -9.798 107.444 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -247.563 -9.431 109.964 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -247.692 -7.730 109.561 1.00 0.00 H new ATOM 0 HG LEU A 38 -249.694 -9.750 109.415 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -251.120 -7.810 108.896 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -249.973 -7.451 110.209 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -249.667 -6.836 108.567 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -250.530 -9.453 107.132 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -249.063 -8.537 106.713 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -248.942 -10.256 107.157 1.00 0.00 H new ATOM 594 N GLN A 39 -245.975 -6.752 107.479 1.00 0.00 N ATOM 595 CA GLN A 39 -245.602 -5.636 106.667 1.00 0.00 C ATOM 596 C GLN A 39 -245.020 -6.074 105.353 1.00 0.00 C ATOM 597 O GLN A 39 -245.483 -5.680 104.294 1.00 0.00 O ATOM 598 CB GLN A 39 -244.486 -4.966 107.410 1.00 0.00 C ATOM 599 CG GLN A 39 -244.015 -3.716 106.752 1.00 0.00 C ATOM 600 CD GLN A 39 -242.925 -3.004 107.530 1.00 0.00 C ATOM 601 OE1 GLN A 39 -242.070 -2.334 106.955 1.00 0.00 O ATOM 602 NE2 GLN A 39 -242.951 -3.136 108.849 1.00 0.00 N ATOM 0 H GLN A 39 -245.558 -6.727 108.409 1.00 0.00 H new ATOM 0 HA GLN A 39 -246.474 -5.010 106.478 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -244.819 -4.734 108.422 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -243.650 -5.659 107.501 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -243.644 -3.956 105.756 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -244.861 -3.040 106.623 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -243.677 -3.701 109.291 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -242.245 -2.673 109.422 1.00 0.00 H new ATOM 611 N GLN A 40 -243.965 -6.861 105.450 1.00 0.00 N ATOM 612 CA GLN A 40 -243.276 -7.381 104.292 1.00 0.00 C ATOM 613 C GLN A 40 -244.235 -8.123 103.364 1.00 0.00 C ATOM 614 O GLN A 40 -244.045 -8.161 102.152 1.00 0.00 O ATOM 615 CB GLN A 40 -242.130 -8.283 104.751 1.00 0.00 C ATOM 616 CG GLN A 40 -240.842 -7.516 104.956 1.00 0.00 C ATOM 617 CD GLN A 40 -240.472 -6.742 103.717 1.00 0.00 C ATOM 618 OE1 GLN A 40 -239.824 -5.698 103.782 1.00 0.00 O ATOM 619 NE2 GLN A 40 -240.923 -7.239 102.583 1.00 0.00 N ATOM 0 H GLN A 40 -243.563 -7.157 106.340 1.00 0.00 H new ATOM 0 HA GLN A 40 -242.864 -6.551 103.719 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -242.409 -8.776 105.682 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -241.969 -9.067 104.011 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -240.952 -6.832 105.797 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -240.039 -8.208 105.210 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -241.456 -8.109 102.583 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -240.739 -6.754 101.705 1.00 0.00 H new ATOM 628 N ILE A 41 -245.281 -8.661 103.957 1.00 0.00 N ATOM 629 CA ILE A 41 -246.327 -9.391 103.249 1.00 0.00 C ATOM 630 C ILE A 41 -247.300 -8.420 102.612 1.00 0.00 C ATOM 631 O ILE A 41 -247.826 -8.629 101.520 1.00 0.00 O ATOM 632 CB ILE A 41 -247.072 -10.284 104.258 1.00 0.00 C ATOM 633 CG1 ILE A 41 -246.072 -11.240 104.923 1.00 0.00 C ATOM 634 CG2 ILE A 41 -248.205 -11.050 103.608 1.00 0.00 C ATOM 635 CD1 ILE A 41 -244.894 -11.610 104.031 1.00 0.00 C ATOM 0 H ILE A 41 -245.436 -8.605 104.964 1.00 0.00 H new ATOM 0 HA ILE A 41 -245.881 -10.002 102.464 1.00 0.00 H new ATOM 0 HB ILE A 41 -247.523 -9.645 105.017 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -245.695 -10.780 105.836 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -246.594 -12.151 105.217 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -248.703 -11.667 104.356 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -248.921 -10.348 103.181 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -247.807 -11.687 102.818 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -244.230 -12.288 104.568 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -245.260 -12.100 103.129 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -244.347 -10.708 103.757 1.00 0.00 H new ATOM 647 N LEU A 42 -247.501 -7.351 103.330 1.00 0.00 N ATOM 648 CA LEU A 42 -248.376 -6.272 102.955 1.00 0.00 C ATOM 649 C LEU A 42 -247.721 -5.394 101.914 1.00 0.00 C ATOM 650 O LEU A 42 -248.353 -4.547 101.286 1.00 0.00 O ATOM 651 CB LEU A 42 -248.687 -5.528 104.228 1.00 0.00 C ATOM 652 CG LEU A 42 -249.548 -6.361 105.153 1.00 0.00 C ATOM 653 CD1 LEU A 42 -249.912 -5.603 106.378 1.00 0.00 C ATOM 654 CD2 LEU A 42 -250.775 -6.849 104.433 1.00 0.00 C ATOM 0 H LEU A 42 -247.042 -7.200 104.228 1.00 0.00 H new ATOM 0 HA LEU A 42 -249.297 -6.630 102.496 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -247.758 -5.262 104.733 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -249.200 -4.596 103.991 1.00 0.00 H new ATOM 0 HG LEU A 42 -248.968 -7.229 105.466 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -250.530 -6.228 107.022 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -249.006 -5.317 106.912 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -250.467 -4.707 106.100 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -251.383 -7.446 105.113 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -251.355 -5.995 104.083 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -250.478 -7.460 103.581 1.00 0.00 H new ATOM 666 N THR A 43 -246.450 -5.658 101.714 1.00 0.00 N ATOM 667 CA THR A 43 -245.645 -4.967 100.741 1.00 0.00 C ATOM 668 C THR A 43 -245.861 -5.607 99.356 1.00 0.00 C ATOM 669 O THR A 43 -244.968 -5.674 98.512 1.00 0.00 O ATOM 670 CB THR A 43 -244.167 -5.035 101.199 1.00 0.00 C ATOM 671 OG1 THR A 43 -244.050 -4.474 102.513 1.00 0.00 O ATOM 672 CG2 THR A 43 -243.231 -4.293 100.274 1.00 0.00 C ATOM 0 H THR A 43 -245.940 -6.372 102.234 1.00 0.00 H new ATOM 0 HA THR A 43 -245.930 -3.918 100.660 1.00 0.00 H new ATOM 0 HB THR A 43 -243.880 -6.086 101.189 1.00 0.00 H new ATOM 0 HG1 THR A 43 -244.341 -5.133 103.177 1.00 0.00 H new ATOM 0 HG21 THR A 43 -242.210 -4.376 100.646 1.00 0.00 H new ATOM 0 HG22 THR A 43 -243.289 -4.725 99.275 1.00 0.00 H new ATOM 0 HG23 THR A 43 -243.518 -3.242 100.233 1.00 0.00 H new ATOM 823 N THR A 53 -253.065 -3.469 108.623 1.00 0.00 N ATOM 824 CA THR A 53 -254.405 -3.510 109.156 1.00 0.00 C ATOM 825 C THR A 53 -254.532 -4.580 110.242 1.00 0.00 C ATOM 826 O THR A 53 -253.568 -4.937 110.924 1.00 0.00 O ATOM 827 CB THR A 53 -255.380 -3.802 107.988 1.00 0.00 C ATOM 828 OG1 THR A 53 -254.801 -3.321 106.768 1.00 0.00 O ATOM 829 CG2 THR A 53 -256.744 -3.138 108.183 1.00 0.00 C ATOM 0 HA THR A 53 -254.646 -2.552 109.617 1.00 0.00 H new ATOM 0 HB THR A 53 -255.539 -4.880 107.954 1.00 0.00 H new ATOM 0 HG1 THR A 53 -254.679 -4.069 106.147 1.00 0.00 H new ATOM 0 HG21 THR A 53 -257.388 -3.375 107.336 1.00 0.00 H new ATOM 0 HG22 THR A 53 -257.201 -3.508 109.101 1.00 0.00 H new ATOM 0 HG23 THR A 53 -256.616 -2.058 108.251 1.00 0.00 H new ATOM 837 N ASP A 54 -255.726 -5.103 110.361 1.00 0.00 N ATOM 838 CA ASP A 54 -256.083 -6.083 111.377 1.00 0.00 C ATOM 839 C ASP A 54 -255.601 -7.465 110.995 1.00 0.00 C ATOM 840 O ASP A 54 -255.947 -8.462 111.619 1.00 0.00 O ATOM 841 CB ASP A 54 -257.587 -6.109 111.506 1.00 0.00 C ATOM 842 CG ASP A 54 -258.136 -4.922 112.266 1.00 0.00 C ATOM 843 OD1 ASP A 54 -258.119 -4.942 113.514 1.00 0.00 O ATOM 844 OD2 ASP A 54 -258.594 -3.962 111.612 1.00 0.00 O ATOM 0 H ASP A 54 -256.501 -4.859 109.744 1.00 0.00 H new ATOM 0 HA ASP A 54 -255.612 -5.802 112.319 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -258.031 -6.133 110.511 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -257.887 -7.027 112.011 1.00 0.00 H new ATOM 849 N TYR A 55 -254.823 -7.505 109.942 1.00 0.00 N ATOM 850 CA TYR A 55 -254.297 -8.750 109.414 1.00 0.00 C ATOM 851 C TYR A 55 -253.330 -9.408 110.379 1.00 0.00 C ATOM 852 O TYR A 55 -252.614 -8.739 111.127 1.00 0.00 O ATOM 853 CB TYR A 55 -253.556 -8.513 108.104 1.00 0.00 C ATOM 854 CG TYR A 55 -254.335 -7.763 107.071 1.00 0.00 C ATOM 855 CD1 TYR A 55 -255.661 -8.066 106.818 1.00 0.00 C ATOM 856 CD2 TYR A 55 -253.737 -6.748 106.347 1.00 0.00 C ATOM 857 CE1 TYR A 55 -256.372 -7.378 105.866 1.00 0.00 C ATOM 858 CE2 TYR A 55 -254.432 -6.051 105.392 1.00 0.00 C ATOM 859 CZ TYR A 55 -255.756 -6.365 105.152 1.00 0.00 C ATOM 860 OH TYR A 55 -256.461 -5.670 104.198 1.00 0.00 O ATOM 0 H TYR A 55 -254.533 -6.677 109.422 1.00 0.00 H new ATOM 0 HA TYR A 55 -255.155 -9.403 109.256 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -252.638 -7.965 108.316 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -253.263 -9.477 107.689 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -256.143 -8.854 107.377 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -252.703 -6.499 106.537 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -257.406 -7.626 105.675 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -253.949 -5.264 104.833 1.00 0.00 H new ATOM 0 HH TYR A 55 -255.881 -4.993 103.791 1.00 0.00 H new ATOM 870 N PHE A 56 -253.322 -10.723 110.347 1.00 0.00 N ATOM 871 CA PHE A 56 -252.306 -11.511 111.018 1.00 0.00 C ATOM 872 C PHE A 56 -252.128 -12.820 110.268 1.00 0.00 C ATOM 873 O PHE A 56 -252.878 -13.115 109.348 1.00 0.00 O ATOM 874 CB PHE A 56 -252.643 -11.754 112.501 1.00 0.00 C ATOM 875 CG PHE A 56 -253.950 -12.449 112.752 1.00 0.00 C ATOM 876 CD1 PHE A 56 -255.133 -11.730 112.808 1.00 0.00 C ATOM 877 CD2 PHE A 56 -253.992 -13.820 112.946 1.00 0.00 C ATOM 878 CE1 PHE A 56 -256.333 -12.366 113.053 1.00 0.00 C ATOM 879 CE2 PHE A 56 -255.193 -14.459 113.192 1.00 0.00 C ATOM 880 CZ PHE A 56 -256.365 -13.730 113.243 1.00 0.00 C ATOM 0 H PHE A 56 -254.021 -11.279 109.854 1.00 0.00 H new ATOM 0 HA PHE A 56 -251.369 -10.955 111.010 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -251.843 -12.345 112.947 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -252.655 -10.794 113.017 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -255.116 -10.661 112.658 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -253.079 -14.395 112.905 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -257.248 -11.794 113.096 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -255.215 -15.528 113.344 1.00 0.00 H new ATOM 0 HZ PHE A 56 -257.304 -14.228 113.431 1.00 0.00 H new ATOM 890 N LEU A 57 -251.146 -13.596 110.658 1.00 0.00 N ATOM 891 CA LEU A 57 -250.820 -14.835 109.960 1.00 0.00 C ATOM 892 C LEU A 57 -251.420 -15.951 110.767 1.00 0.00 C ATOM 893 O LEU A 57 -251.854 -15.707 111.875 1.00 0.00 O ATOM 894 CB LEU A 57 -249.293 -15.044 109.847 1.00 0.00 C ATOM 895 CG LEU A 57 -248.490 -13.975 109.088 1.00 0.00 C ATOM 896 CD1 LEU A 57 -248.781 -12.607 109.648 1.00 0.00 C ATOM 897 CD2 LEU A 57 -246.998 -14.252 109.178 1.00 0.00 C ATOM 0 H LEU A 57 -250.549 -13.397 111.461 1.00 0.00 H new ATOM 0 HA LEU A 57 -251.214 -14.804 108.944 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -248.887 -15.118 110.856 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -249.119 -16.005 109.362 1.00 0.00 H new ATOM 0 HG LEU A 57 -248.791 -14.010 108.041 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -248.206 -11.860 109.101 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -249.845 -12.391 109.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -248.504 -12.579 110.702 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -246.451 -13.482 108.633 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -246.689 -14.245 110.223 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -246.782 -15.227 108.742 1.00 0.00 H new ATOM 909 N MET A 58 -251.494 -17.148 110.227 1.00 0.00 N ATOM 910 CA MET A 58 -251.923 -18.289 111.021 1.00 0.00 C ATOM 911 C MET A 58 -251.325 -19.563 110.477 1.00 0.00 C ATOM 912 O MET A 58 -251.472 -19.863 109.296 1.00 0.00 O ATOM 913 CB MET A 58 -253.442 -18.445 111.043 1.00 0.00 C ATOM 914 CG MET A 58 -254.216 -17.247 111.579 1.00 0.00 C ATOM 915 SD MET A 58 -255.936 -17.646 111.925 1.00 0.00 S ATOM 916 CE MET A 58 -256.096 -19.070 110.872 1.00 0.00 C ATOM 0 H MET A 58 -251.267 -17.360 109.255 1.00 0.00 H new ATOM 0 HA MET A 58 -251.577 -18.104 112.038 1.00 0.00 H new ATOM 0 HB2 MET A 58 -253.783 -18.652 110.029 1.00 0.00 H new ATOM 0 HB3 MET A 58 -253.692 -19.317 111.648 1.00 0.00 H new ATOM 0 HG2 MET A 58 -253.738 -16.887 112.490 1.00 0.00 H new ATOM 0 HG3 MET A 58 -254.172 -16.435 110.853 1.00 0.00 H new ATOM 0 HE1 MET A 58 -257.134 -19.403 110.866 1.00 0.00 H new ATOM 0 HE2 MET A 58 -255.793 -18.809 109.858 1.00 0.00 H new ATOM 0 HE3 MET A 58 -255.460 -19.872 111.246 1.00 0.00 H new ATOM 926 N GLU A 59 -250.645 -20.293 111.339 1.00 0.00 N ATOM 927 CA GLU A 59 -250.114 -21.591 111.000 1.00 0.00 C ATOM 928 C GLU A 59 -251.182 -22.659 111.187 1.00 0.00 C ATOM 929 O GLU A 59 -251.455 -23.082 112.309 1.00 0.00 O ATOM 930 CB GLU A 59 -248.927 -21.867 111.907 1.00 0.00 C ATOM 931 CG GLU A 59 -247.654 -22.162 111.163 1.00 0.00 C ATOM 932 CD GLU A 59 -247.465 -23.638 110.907 1.00 0.00 C ATOM 933 OE1 GLU A 59 -246.863 -24.316 111.760 1.00 0.00 O ATOM 934 OE2 GLU A 59 -247.920 -24.134 109.857 1.00 0.00 O ATOM 0 H GLU A 59 -250.447 -19.999 112.295 1.00 0.00 H new ATOM 0 HA GLU A 59 -249.799 -21.609 109.957 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -248.768 -21.005 112.555 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -249.164 -22.712 112.554 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -247.660 -21.629 110.212 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -246.806 -21.784 111.735 1.00 0.00 H new ATOM 1262 N ARG A 78 -252.527 -22.239 114.619 1.00 0.00 N ATOM 1263 CA ARG A 78 -251.982 -21.235 115.516 1.00 0.00 C ATOM 1264 C ARG A 78 -252.062 -19.860 114.878 1.00 0.00 C ATOM 1265 O ARG A 78 -251.369 -19.579 113.897 1.00 0.00 O ATOM 1266 CB ARG A 78 -250.525 -21.549 115.870 1.00 0.00 C ATOM 1267 CG ARG A 78 -250.342 -22.807 116.698 1.00 0.00 C ATOM 1268 CD ARG A 78 -248.885 -22.981 117.092 1.00 0.00 C ATOM 1269 NE ARG A 78 -248.676 -24.122 117.983 1.00 0.00 N ATOM 1270 CZ ARG A 78 -248.075 -24.035 119.168 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -247.721 -22.851 119.654 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -247.862 -25.131 119.882 1.00 0.00 N ATOM 0 HA ARG A 78 -252.575 -21.246 116.431 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -249.952 -21.648 114.948 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -250.106 -20.704 116.416 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -250.962 -22.753 117.593 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -250.677 -23.675 116.130 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -248.282 -23.111 116.193 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -248.534 -22.073 117.582 1.00 0.00 H new ATOM 0 HE ARG A 78 -249.010 -25.037 117.679 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -247.909 -22.003 119.119 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -247.261 -22.789 120.562 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -248.158 -26.039 119.524 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -247.402 -25.067 120.790 1.00 0.00 H new ATOM 1286 N ALA A 79 -252.919 -19.015 115.419 1.00 0.00 N ATOM 1287 CA ALA A 79 -253.032 -17.648 114.949 1.00 0.00 C ATOM 1288 C ALA A 79 -251.749 -16.883 115.297 1.00 0.00 C ATOM 1289 O ALA A 79 -251.423 -16.711 116.472 1.00 0.00 O ATOM 1290 CB ALA A 79 -254.242 -16.973 115.575 1.00 0.00 C ATOM 0 H ALA A 79 -253.548 -19.252 116.186 1.00 0.00 H new ATOM 0 HA ALA A 79 -253.165 -17.648 113.867 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -254.314 -15.947 115.213 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -255.145 -17.519 115.302 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -254.135 -16.968 116.660 1.00 0.00 H new ATOM 1296 N ILE A 80 -251.030 -16.448 114.277 1.00 0.00 N ATOM 1297 CA ILE A 80 -249.727 -15.804 114.428 1.00 0.00 C ATOM 1298 C ILE A 80 -249.793 -14.503 115.216 1.00 0.00 C ATOM 1299 O ILE A 80 -250.577 -13.602 114.906 1.00 0.00 O ATOM 1300 CB ILE A 80 -249.068 -15.557 113.055 1.00 0.00 C ATOM 1301 CG1 ILE A 80 -248.465 -16.862 112.526 1.00 0.00 C ATOM 1302 CG2 ILE A 80 -248.003 -14.472 113.136 1.00 0.00 C ATOM 1303 CD1 ILE A 80 -247.371 -17.413 113.411 1.00 0.00 C ATOM 0 H ILE A 80 -251.334 -16.531 113.307 1.00 0.00 H new ATOM 0 HA ILE A 80 -249.113 -16.498 115.003 1.00 0.00 H new ATOM 0 HB ILE A 80 -249.837 -15.211 112.365 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -249.255 -17.607 112.429 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -248.064 -16.691 111.527 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -247.559 -14.324 112.152 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -248.458 -13.540 113.473 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -247.229 -14.774 113.841 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -246.986 -18.337 112.981 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -246.564 -16.685 113.488 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -247.773 -17.615 114.404 1.00 0.00 H new ATOM 1315 N GLY A 81 -248.965 -14.435 116.250 1.00 0.00 N ATOM 1316 CA GLY A 81 -248.759 -13.201 116.964 1.00 0.00 C ATOM 1317 C GLY A 81 -247.483 -12.528 116.503 1.00 0.00 C ATOM 1318 O GLY A 81 -246.640 -13.166 115.877 1.00 0.00 O ATOM 0 H GLY A 81 -248.429 -15.226 116.606 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -249.607 -12.535 116.803 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -248.707 -13.398 118.035 1.00 0.00 H new ATOM 1322 N PRO A 82 -247.308 -11.239 116.798 1.00 0.00 N ATOM 1323 CA PRO A 82 -246.150 -10.472 116.357 1.00 0.00 C ATOM 1324 C PRO A 82 -244.826 -11.000 116.891 1.00 0.00 C ATOM 1325 O PRO A 82 -243.807 -10.964 116.195 1.00 0.00 O ATOM 1326 CB PRO A 82 -246.422 -9.068 116.899 1.00 0.00 C ATOM 1327 CG PRO A 82 -247.889 -9.035 117.114 1.00 0.00 C ATOM 1328 CD PRO A 82 -248.221 -10.416 117.577 1.00 0.00 C ATOM 0 HA PRO A 82 -246.040 -10.520 115.274 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -245.880 -8.888 117.827 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -246.106 -8.301 116.192 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -248.166 -8.288 117.858 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -248.421 -8.784 116.196 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -248.060 -10.534 118.648 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -249.263 -10.670 117.382 1.00 0.00 H new ATOM 1336 N GLU A 83 -244.847 -11.479 118.123 1.00 0.00 N ATOM 1337 CA GLU A 83 -243.650 -11.962 118.777 1.00 0.00 C ATOM 1338 C GLU A 83 -243.421 -13.440 118.510 1.00 0.00 C ATOM 1339 O GLU A 83 -242.283 -13.908 118.487 1.00 0.00 O ATOM 1340 CB GLU A 83 -243.754 -11.693 120.263 1.00 0.00 C ATOM 1341 CG GLU A 83 -243.725 -10.208 120.576 1.00 0.00 C ATOM 1342 CD GLU A 83 -243.480 -9.907 122.034 1.00 0.00 C ATOM 1343 OE1 GLU A 83 -242.300 -9.849 122.440 1.00 0.00 O ATOM 1344 OE2 GLU A 83 -244.463 -9.703 122.777 1.00 0.00 O ATOM 0 H GLU A 83 -245.691 -11.543 118.693 1.00 0.00 H new ATOM 0 HA GLU A 83 -242.791 -11.430 118.369 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -244.678 -12.126 120.646 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -242.932 -12.188 120.779 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -242.946 -9.734 119.979 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -244.673 -9.762 120.275 1.00 0.00 H new ATOM 1351 N GLU A 84 -244.508 -14.174 118.349 1.00 0.00 N ATOM 1352 CA GLU A 84 -244.433 -15.549 117.869 1.00 0.00 C ATOM 1353 C GLU A 84 -244.026 -15.551 116.398 1.00 0.00 C ATOM 1354 O GLU A 84 -244.863 -15.595 115.498 1.00 0.00 O ATOM 1355 CB GLU A 84 -245.760 -16.278 118.067 1.00 0.00 C ATOM 1356 CG GLU A 84 -246.127 -16.447 119.527 1.00 0.00 C ATOM 1357 CD GLU A 84 -247.390 -17.255 119.728 1.00 0.00 C ATOM 1358 OE1 GLU A 84 -248.484 -16.753 119.396 1.00 0.00 O ATOM 1359 OE2 GLU A 84 -247.291 -18.398 120.221 1.00 0.00 O ATOM 0 H GLU A 84 -245.454 -13.844 118.542 1.00 0.00 H new ATOM 0 HA GLU A 84 -243.681 -16.083 118.450 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -246.551 -15.726 117.560 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -245.704 -17.259 117.596 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -245.303 -16.934 120.049 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -246.255 -15.464 119.980 1.00 0.00 H new ATOM 1366 N GLU A 85 -242.726 -15.474 116.176 1.00 0.00 N ATOM 1367 CA GLU A 85 -242.181 -15.249 114.850 1.00 0.00 C ATOM 1368 C GLU A 85 -242.212 -16.509 113.993 1.00 0.00 C ATOM 1369 O GLU A 85 -242.059 -17.631 114.483 1.00 0.00 O ATOM 1370 CB GLU A 85 -240.754 -14.732 114.971 1.00 0.00 C ATOM 1371 CG GLU A 85 -240.647 -13.497 115.846 1.00 0.00 C ATOM 1372 CD GLU A 85 -239.217 -13.180 116.220 1.00 0.00 C ATOM 1373 OE1 GLU A 85 -238.467 -14.121 116.558 1.00 0.00 O ATOM 1374 OE2 GLU A 85 -238.829 -11.999 116.169 1.00 0.00 O ATOM 0 H GLU A 85 -242.021 -15.565 116.907 1.00 0.00 H new ATOM 0 HA GLU A 85 -242.806 -14.507 114.352 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -240.121 -15.519 115.382 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -240.371 -14.502 113.977 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -241.080 -12.645 115.322 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -241.233 -13.645 116.753 1.00 0.00 H new ATOM 1381 N ILE A 86 -242.380 -16.295 112.700 1.00 0.00 N ATOM 1382 CA ILE A 86 -242.477 -17.375 111.732 1.00 0.00 C ATOM 1383 C ILE A 86 -241.206 -18.214 111.681 1.00 0.00 C ATOM 1384 O ILE A 86 -241.261 -19.418 111.444 1.00 0.00 O ATOM 1385 CB ILE A 86 -242.789 -16.808 110.339 1.00 0.00 C ATOM 1386 CG1 ILE A 86 -241.782 -15.710 109.970 1.00 0.00 C ATOM 1387 CG2 ILE A 86 -244.208 -16.272 110.329 1.00 0.00 C ATOM 1388 CD1 ILE A 86 -242.132 -14.946 108.710 1.00 0.00 C ATOM 0 H ILE A 86 -242.453 -15.364 112.290 1.00 0.00 H new ATOM 0 HA ILE A 86 -243.289 -18.028 112.051 1.00 0.00 H new ATOM 0 HB ILE A 86 -242.703 -17.598 109.593 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -241.708 -15.007 110.799 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -240.798 -16.162 109.846 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -244.437 -15.868 109.343 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -244.903 -17.079 110.561 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -244.305 -15.484 111.076 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -241.371 -14.189 108.520 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -242.177 -15.636 107.867 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -243.101 -14.463 108.835 1.00 0.00 H new ATOM 1400 N MET A 87 -240.066 -17.586 111.931 1.00 0.00 N ATOM 1401 CA MET A 87 -238.797 -18.302 111.939 1.00 0.00 C ATOM 1402 C MET A 87 -238.706 -19.224 113.142 1.00 0.00 C ATOM 1403 O MET A 87 -237.938 -20.188 113.143 1.00 0.00 O ATOM 1404 CB MET A 87 -237.619 -17.331 111.902 1.00 0.00 C ATOM 1405 CG MET A 87 -237.335 -16.812 110.507 1.00 0.00 C ATOM 1406 SD MET A 87 -237.006 -18.158 109.347 1.00 0.00 S ATOM 1407 CE MET A 87 -237.012 -17.278 107.791 1.00 0.00 C ATOM 0 H MET A 87 -239.993 -16.588 112.130 1.00 0.00 H new ATOM 0 HA MET A 87 -238.750 -18.916 111.039 1.00 0.00 H new ATOM 0 HB2 MET A 87 -237.826 -16.490 112.564 1.00 0.00 H new ATOM 0 HB3 MET A 87 -236.730 -17.829 112.288 1.00 0.00 H new ATOM 0 HG2 MET A 87 -238.186 -16.229 110.156 1.00 0.00 H new ATOM 0 HG3 MET A 87 -236.478 -16.139 110.536 1.00 0.00 H new ATOM 0 HE1 MET A 87 -237.197 -17.979 106.977 1.00 0.00 H new ATOM 0 HE2 MET A 87 -237.797 -16.522 107.804 1.00 0.00 H new ATOM 0 HE3 MET A 87 -236.046 -16.796 107.642 1.00 0.00 H new ATOM 1417 N GLN A 88 -239.519 -18.955 114.156 1.00 0.00 N ATOM 1418 CA GLN A 88 -239.557 -19.819 115.325 1.00 0.00 C ATOM 1419 C GLN A 88 -240.346 -21.055 114.963 1.00 0.00 C ATOM 1420 O GLN A 88 -240.016 -22.173 115.341 1.00 0.00 O ATOM 1421 CB GLN A 88 -240.216 -19.124 116.515 1.00 0.00 C ATOM 1422 CG GLN A 88 -239.480 -17.891 116.992 1.00 0.00 C ATOM 1423 CD GLN A 88 -240.218 -17.179 118.108 1.00 0.00 C ATOM 1424 OE1 GLN A 88 -240.948 -17.801 118.878 1.00 0.00 O ATOM 1425 NE2 GLN A 88 -240.033 -15.873 118.204 1.00 0.00 N ATOM 0 H GLN A 88 -240.152 -18.156 114.192 1.00 0.00 H new ATOM 0 HA GLN A 88 -238.538 -20.073 115.616 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -241.233 -18.844 116.242 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -240.291 -19.832 117.340 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -238.486 -18.175 117.339 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -239.342 -17.206 116.155 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -239.419 -15.395 117.545 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -240.504 -15.344 118.937 1.00 0.00 H new ATOM 1434 N ILE A 89 -241.387 -20.810 114.190 1.00 0.00 N ATOM 1435 CA ILE A 89 -242.276 -21.848 113.710 1.00 0.00 C ATOM 1436 C ILE A 89 -241.556 -22.788 112.749 1.00 0.00 C ATOM 1437 O ILE A 89 -241.577 -24.010 112.905 1.00 0.00 O ATOM 1438 CB ILE A 89 -243.463 -21.210 112.992 1.00 0.00 C ATOM 1439 CG1 ILE A 89 -244.056 -20.111 113.874 1.00 0.00 C ATOM 1440 CG2 ILE A 89 -244.505 -22.259 112.648 1.00 0.00 C ATOM 1441 CD1 ILE A 89 -244.433 -20.566 115.271 1.00 0.00 C ATOM 0 H ILE A 89 -241.641 -19.874 113.875 1.00 0.00 H new ATOM 0 HA ILE A 89 -242.620 -22.426 114.568 1.00 0.00 H new ATOM 0 HB ILE A 89 -243.124 -20.765 112.056 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -243.336 -19.296 113.952 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -244.942 -19.707 113.385 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -245.343 -21.785 112.137 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -244.062 -23.012 111.997 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -244.859 -22.734 113.563 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -244.845 -19.725 115.829 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -245.178 -21.359 115.207 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -243.547 -20.941 115.783 1.00 0.00 H new ATOM 1453 N LEU A 90 -240.894 -22.191 111.769 1.00 0.00 N ATOM 1454 CA LEU A 90 -240.221 -22.932 110.712 1.00 0.00 C ATOM 1455 C LEU A 90 -239.026 -23.713 111.248 1.00 0.00 C ATOM 1456 O LEU A 90 -238.663 -24.757 110.707 1.00 0.00 O ATOM 1457 CB LEU A 90 -239.775 -21.962 109.620 1.00 0.00 C ATOM 1458 CG LEU A 90 -240.918 -21.204 108.936 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -240.405 -19.923 108.303 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -241.591 -22.084 107.892 1.00 0.00 C ATOM 0 H LEU A 90 -240.808 -21.178 111.684 1.00 0.00 H new ATOM 0 HA LEU A 90 -240.923 -23.655 110.297 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -239.085 -21.238 110.054 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -239.220 -22.517 108.863 1.00 0.00 H new ATOM 0 HG LEU A 90 -241.657 -20.940 109.692 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -241.231 -19.399 107.822 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -239.970 -19.286 109.073 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -239.646 -20.164 107.559 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -242.400 -21.530 107.416 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -240.860 -22.378 107.138 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -241.995 -22.975 108.373 1.00 0.00 H new ATOM 1472 N SER A 91 -238.415 -23.210 112.311 1.00 0.00 N ATOM 1473 CA SER A 91 -237.293 -23.899 112.925 1.00 0.00 C ATOM 1474 C SER A 91 -237.783 -24.913 113.960 1.00 0.00 C ATOM 1475 O SER A 91 -236.985 -25.647 114.544 1.00 0.00 O ATOM 1476 CB SER A 91 -236.340 -22.892 113.577 1.00 0.00 C ATOM 1477 OG SER A 91 -235.177 -23.534 114.076 1.00 0.00 O ATOM 0 H SER A 91 -238.676 -22.333 112.762 1.00 0.00 H new ATOM 0 HA SER A 91 -236.753 -24.437 112.145 1.00 0.00 H new ATOM 0 HB2 SER A 91 -236.055 -22.133 112.849 1.00 0.00 H new ATOM 0 HB3 SER A 91 -236.852 -22.377 114.390 1.00 0.00 H new ATOM 0 HG SER A 91 -235.395 -24.455 114.330 1.00 0.00 H new ATOM 1658 N ILE A 103 -249.585 -20.868 106.202 1.00 0.00 N ATOM 1659 CA ILE A 103 -249.846 -19.564 106.794 1.00 0.00 C ATOM 1660 C ILE A 103 -250.946 -18.847 106.035 1.00 0.00 C ATOM 1661 O ILE A 103 -250.784 -18.521 104.864 1.00 0.00 O ATOM 1662 CB ILE A 103 -248.594 -18.664 106.792 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -247.488 -19.276 107.655 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -248.941 -17.260 107.278 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -246.283 -18.376 107.819 1.00 0.00 C ATOM 0 HA ILE A 103 -250.148 -19.746 107.825 1.00 0.00 H new ATOM 0 HB ILE A 103 -248.227 -18.591 105.768 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -247.894 -19.510 108.639 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -247.170 -20.218 107.209 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -248.045 -16.640 107.269 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -249.691 -16.822 106.620 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -249.335 -17.313 108.293 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -245.539 -18.873 108.442 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -245.853 -18.162 106.841 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -246.588 -17.443 108.293 1.00 0.00 H new ATOM 1677 N VAL A 104 -252.044 -18.571 106.705 1.00 0.00 N ATOM 1678 CA VAL A 104 -253.136 -17.867 106.090 1.00 0.00 C ATOM 1679 C VAL A 104 -253.198 -16.470 106.650 1.00 0.00 C ATOM 1680 O VAL A 104 -253.366 -16.277 107.854 1.00 0.00 O ATOM 1681 CB VAL A 104 -254.486 -18.576 106.297 1.00 0.00 C ATOM 1682 CG1 VAL A 104 -254.663 -19.710 105.299 1.00 0.00 C ATOM 1683 CG2 VAL A 104 -254.602 -19.090 107.705 1.00 0.00 C ATOM 0 H VAL A 104 -252.199 -18.827 107.680 1.00 0.00 H new ATOM 0 HA VAL A 104 -252.953 -17.840 105.016 1.00 0.00 H new ATOM 0 HB VAL A 104 -255.280 -17.848 106.128 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -255.625 -20.195 105.466 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -254.629 -19.311 104.285 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -253.862 -20.438 105.429 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -255.563 -19.588 107.832 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -253.797 -19.798 107.901 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -254.530 -18.256 108.404 1.00 0.00 H new ATOM 1693 N LEU A 105 -252.997 -15.501 105.790 1.00 0.00 N ATOM 1694 CA LEU A 105 -253.129 -14.128 106.189 1.00 0.00 C ATOM 1695 C LEU A 105 -254.599 -13.842 106.432 1.00 0.00 C ATOM 1696 O LEU A 105 -255.403 -13.782 105.503 1.00 0.00 O ATOM 1697 CB LEU A 105 -252.593 -13.205 105.111 1.00 0.00 C ATOM 1698 CG LEU A 105 -252.297 -11.800 105.593 1.00 0.00 C ATOM 1699 CD1 LEU A 105 -251.355 -11.879 106.776 1.00 0.00 C ATOM 1700 CD2 LEU A 105 -251.708 -10.956 104.475 1.00 0.00 C ATOM 0 H LEU A 105 -252.742 -15.641 104.812 1.00 0.00 H new ATOM 0 HA LEU A 105 -252.554 -13.953 107.098 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -251.681 -13.636 104.699 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -253.317 -13.154 104.298 1.00 0.00 H new ATOM 0 HG LEU A 105 -253.224 -11.317 105.903 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -251.134 -10.873 107.133 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -251.823 -12.453 107.576 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -250.429 -12.368 106.472 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -251.504 -9.952 104.846 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -250.780 -11.410 104.127 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -252.417 -10.901 103.649 1.00 0.00 H new ATOM 1712 N LYS A 106 -254.938 -13.696 107.682 1.00 0.00 N ATOM 1713 CA LYS A 106 -256.310 -13.515 108.086 1.00 0.00 C ATOM 1714 C LYS A 106 -256.563 -12.047 108.383 1.00 0.00 C ATOM 1715 O LYS A 106 -255.678 -11.206 108.218 1.00 0.00 O ATOM 1716 CB LYS A 106 -256.622 -14.334 109.340 1.00 0.00 C ATOM 1717 CG LYS A 106 -256.323 -15.814 109.203 1.00 0.00 C ATOM 1718 CD LYS A 106 -257.196 -16.491 108.159 1.00 0.00 C ATOM 1719 CE LYS A 106 -258.661 -16.522 108.568 1.00 0.00 C ATOM 1720 NZ LYS A 106 -258.876 -17.189 109.884 1.00 0.00 N ATOM 0 H LYS A 106 -254.271 -13.699 108.454 1.00 0.00 H new ATOM 0 HA LYS A 106 -256.953 -13.853 107.273 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -256.047 -13.934 110.175 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -257.676 -14.209 109.590 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -255.275 -15.946 108.936 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -256.470 -16.302 110.167 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -257.097 -15.966 107.209 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -256.844 -17.510 107.998 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -259.043 -15.502 108.615 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -259.237 -17.043 107.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -259.894 -17.228 110.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -258.492 -18.155 109.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -258.392 -16.650 110.630 1.00 0.00 H new ATOM 1734 N THR A 107 -257.755 -11.754 108.847 1.00 0.00 N ATOM 1735 CA THR A 107 -258.097 -10.452 109.323 1.00 0.00 C ATOM 1736 C THR A 107 -258.480 -10.617 110.781 1.00 0.00 C ATOM 1737 O THR A 107 -258.746 -11.733 111.235 1.00 0.00 O ATOM 1738 CB THR A 107 -259.280 -9.840 108.538 1.00 0.00 C ATOM 1739 OG1 THR A 107 -260.461 -10.637 108.722 1.00 0.00 O ATOM 1740 CG2 THR A 107 -258.962 -9.749 107.053 1.00 0.00 C ATOM 0 H THR A 107 -258.518 -12.428 108.901 1.00 0.00 H new ATOM 0 HA THR A 107 -257.253 -9.774 109.193 1.00 0.00 H new ATOM 0 HB THR A 107 -259.452 -8.834 108.922 1.00 0.00 H new ATOM 0 HG1 THR A 107 -261.205 -10.240 108.222 1.00 0.00 H new ATOM 0 HG21 THR A 107 -259.811 -9.315 106.525 1.00 0.00 H new ATOM 0 HG22 THR A 107 -258.084 -9.120 106.907 1.00 0.00 H new ATOM 0 HG23 THR A 107 -258.763 -10.747 106.662 1.00 0.00 H new ATOM 1748 N GLN A 108 -258.509 -9.533 111.499 1.00 0.00 N ATOM 1749 CA GLN A 108 -258.910 -9.525 112.903 1.00 0.00 C ATOM 1750 C GLN A 108 -260.430 -9.570 112.975 1.00 0.00 C ATOM 1751 O GLN A 108 -261.082 -8.710 113.564 1.00 0.00 O ATOM 1752 CB GLN A 108 -258.341 -8.291 113.617 1.00 0.00 C ATOM 1753 CG GLN A 108 -258.316 -8.384 115.136 1.00 0.00 C ATOM 1754 CD GLN A 108 -259.473 -7.656 115.799 1.00 0.00 C ATOM 1755 OE1 GLN A 108 -259.979 -8.086 116.837 1.00 0.00 O ATOM 1756 NE2 GLN A 108 -259.865 -6.522 115.236 1.00 0.00 N ATOM 0 H GLN A 108 -258.255 -8.614 111.137 1.00 0.00 H new ATOM 0 HA GLN A 108 -258.508 -10.400 113.414 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -257.325 -8.120 113.261 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -258.930 -7.420 113.331 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -258.339 -9.433 115.430 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -257.377 -7.971 115.504 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -259.421 -6.199 114.376 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -260.611 -5.972 115.663 1.00 0.00 H new