USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 243 SER OG : rot 180:sc= 0.0359 USER MOD Set 1.2: A 244 ASN : amide:sc= -0.0983 X(o=-0.062,f=-0.33) USER MOD Set 2.1: A 230 THR OG1 : rot 180:sc= 0.468 USER MOD Set 2.2: A 233 GLN : amide:sc= -0.625 K(o=-0.16,f=1.2) USER MOD Set 3.1: A 222 ASN : amide:sc= -0.22 X(o=0.61,f=0.82) USER MOD Set 3.2: A 241 ASN : amide:sc= 0.835 K(o=0.61,f=-1.2) USER MOD Single : A 158 HIS : no HE2:sc= -4.15! C(o=-4.1!,f=-5.6!) USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 180:sc= 0 USER MOD Single : A 181 SER OG : rot 139:sc= 1.14 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.0027) USER MOD Single : A 198 SER OG : rot 180:sc= 0 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 209 THR OG1 : rot 160:sc= -0.246 USER MOD Single : A 215 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 237 MET CE :methyl 157:sc= -0.073 (180deg=-0.637) USER MOD Single : A 238 MET CE :methyl -126:sc= 0 (180deg=-0.158) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 248 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 250 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 158 -10.272 -6.947 -3.920 1.00 14.53 N ATOM 29 CA HIS A 158 -9.036 -6.466 -4.501 1.00 11.34 C ATOM 30 C HIS A 158 -9.280 -5.231 -5.314 1.00 42.22 C ATOM 31 O HIS A 158 -10.186 -5.205 -6.143 1.00 63.21 O ATOM 32 CB HIS A 158 -8.315 -7.542 -5.312 1.00 33.52 C ATOM 33 CG HIS A 158 -7.325 -8.334 -4.517 1.00 22.24 C ATOM 34 ND1 HIS A 158 -7.649 -9.255 -3.546 1.00 12.44 N ATOM 35 CD2 HIS A 158 -5.984 -8.295 -4.539 1.00 10.20 C ATOM 36 CE1 HIS A 158 -6.530 -9.722 -3.022 1.00 5.13 C ATOM 37 NE2 HIS A 158 -5.529 -9.161 -3.614 1.00 74.13 N ATOM 0 HA HIS A 158 -8.369 -6.206 -3.679 1.00 11.34 H new ATOM 0 HB2 HIS A 158 -9.055 -8.222 -5.735 1.00 33.52 H new ATOM 0 HB3 HIS A 158 -7.801 -7.070 -6.149 1.00 33.52 H new ATOM 0 HD1 HIS A 158 -8.594 -9.530 -3.277 1.00 12.44 H new ATOM 0 HD2 HIS A 158 -5.377 -7.678 -5.185 1.00 10.20 H new ATOM 0 HE1 HIS A 158 -6.463 -10.452 -2.229 1.00 5.13 H new ATOM 46 N ARG A 159 -8.498 -4.208 -5.077 1.00 13.11 N ATOM 47 CA ARG A 159 -8.630 -2.979 -5.817 1.00 4.41 C ATOM 48 C ARG A 159 -7.276 -2.423 -6.149 1.00 31.52 C ATOM 49 O ARG A 159 -6.401 -2.355 -5.291 1.00 51.30 O ATOM 50 CB ARG A 159 -9.409 -1.955 -5.001 1.00 33.31 C ATOM 51 CG ARG A 159 -9.576 -0.584 -5.654 1.00 53.14 C ATOM 52 CD ARG A 159 -10.445 -0.627 -6.886 1.00 40.53 C ATOM 53 NE ARG A 159 -10.580 0.698 -7.521 1.00 1.34 N ATOM 54 CZ ARG A 159 -10.467 0.943 -8.838 1.00 10.13 C ATOM 55 NH1 ARG A 159 -10.107 -0.024 -9.674 1.00 75.10 N ATOM 56 NH2 ARG A 159 -10.697 2.169 -9.311 1.00 23.44 N ATOM 0 H ARG A 159 -7.760 -4.203 -4.373 1.00 13.11 H new ATOM 0 HA ARG A 159 -9.168 -3.190 -6.741 1.00 4.41 H new ATOM 0 HB2 ARG A 159 -10.398 -2.361 -4.790 1.00 33.31 H new ATOM 0 HB3 ARG A 159 -8.908 -1.823 -4.042 1.00 33.31 H new ATOM 0 HG2 ARG A 159 -10.011 0.107 -4.932 1.00 53.14 H new ATOM 0 HG3 ARG A 159 -8.595 -0.191 -5.920 1.00 53.14 H new ATOM 0 HD2 ARG A 159 -10.021 -1.330 -7.603 1.00 40.53 H new ATOM 0 HD3 ARG A 159 -11.433 -1.002 -6.618 1.00 40.53 H new ATOM 0 HE ARG A 159 -10.775 1.492 -6.911 1.00 1.34 H new ATOM 0 HH11 ARG A 159 -9.914 -0.960 -9.318 1.00 75.10 H new ATOM 0 HH12 ARG A 159 -10.023 0.170 -10.672 1.00 75.10 H new ATOM 0 HH21 ARG A 159 -10.959 2.921 -8.673 1.00 23.44 H new ATOM 0 HH22 ARG A 159 -10.611 2.355 -10.310 1.00 23.44 H new ATOM 68 N ARG A 160 -7.114 -2.039 -7.373 1.00 51.51 N ATOM 69 CA ARG A 160 -5.902 -1.405 -7.828 1.00 22.20 C ATOM 70 C ARG A 160 -6.186 -0.007 -8.308 1.00 44.11 C ATOM 71 O ARG A 160 -6.965 0.214 -9.236 1.00 32.51 O ATOM 72 CB ARG A 160 -5.136 -2.226 -8.881 1.00 44.14 C ATOM 73 CG ARG A 160 -5.943 -2.641 -10.088 1.00 53.51 C ATOM 74 CD ARG A 160 -5.078 -3.311 -11.139 1.00 21.25 C ATOM 75 NE ARG A 160 -4.335 -4.480 -10.627 1.00 52.25 N ATOM 76 CZ ARG A 160 -4.332 -5.686 -11.215 1.00 72.33 C ATOM 77 NH1 ARG A 160 -5.191 -5.949 -12.194 1.00 4.01 N ATOM 78 NH2 ARG A 160 -3.484 -6.629 -10.817 1.00 73.33 N ATOM 0 H ARG A 160 -7.821 -2.154 -8.099 1.00 51.51 H new ATOM 0 HA ARG A 160 -5.236 -1.349 -6.967 1.00 22.20 H new ATOM 0 HB2 ARG A 160 -4.280 -1.643 -9.220 1.00 44.14 H new ATOM 0 HB3 ARG A 160 -4.742 -3.122 -8.402 1.00 44.14 H new ATOM 0 HG2 ARG A 160 -6.735 -3.324 -9.779 1.00 53.51 H new ATOM 0 HG3 ARG A 160 -6.428 -1.766 -10.520 1.00 53.51 H new ATOM 0 HD2 ARG A 160 -5.708 -3.626 -11.971 1.00 21.25 H new ATOM 0 HD3 ARG A 160 -4.369 -2.583 -11.534 1.00 21.25 H new ATOM 0 HE ARG A 160 -3.790 -4.363 -9.773 1.00 52.25 H new ATOM 0 HH11 ARG A 160 -5.852 -5.234 -12.498 1.00 4.01 H new ATOM 0 HH12 ARG A 160 -5.189 -6.866 -12.641 1.00 4.01 H new ATOM 0 HH21 ARG A 160 -2.829 -6.439 -10.059 1.00 73.33 H new ATOM 0 HH22 ARG A 160 -3.489 -7.543 -11.270 1.00 73.33 H new ATOM 90 N VAL A 161 -5.579 0.924 -7.657 1.00 23.12 N ATOM 91 CA VAL A 161 -5.758 2.322 -7.946 1.00 32.41 C ATOM 92 C VAL A 161 -4.512 2.923 -8.532 1.00 73.34 C ATOM 93 O VAL A 161 -3.402 2.579 -8.125 1.00 23.02 O ATOM 94 CB VAL A 161 -6.200 3.122 -6.698 1.00 10.43 C ATOM 95 CG1 VAL A 161 -7.603 2.744 -6.324 1.00 4.13 C ATOM 96 CG2 VAL A 161 -5.270 2.845 -5.518 1.00 71.10 C ATOM 0 H VAL A 161 -4.930 0.741 -6.892 1.00 23.12 H new ATOM 0 HA VAL A 161 -6.557 2.387 -8.685 1.00 32.41 H new ATOM 0 HB VAL A 161 -6.155 4.184 -6.938 1.00 10.43 H new ATOM 0 HG11 VAL A 161 -7.910 3.310 -5.444 1.00 4.13 H new ATOM 0 HG12 VAL A 161 -8.274 2.969 -7.153 1.00 4.13 H new ATOM 0 HG13 VAL A 161 -7.646 1.678 -6.102 1.00 4.13 H new ATOM 0 HG21 VAL A 161 -5.600 3.418 -4.652 1.00 71.10 H new ATOM 0 HG22 VAL A 161 -5.292 1.782 -5.279 1.00 71.10 H new ATOM 0 HG23 VAL A 161 -4.253 3.137 -5.780 1.00 71.10 H new ATOM 102 N ARG A 162 -4.689 3.771 -9.518 1.00 54.13 N ATOM 103 CA ARG A 162 -3.583 4.465 -10.124 1.00 3.15 C ATOM 104 C ARG A 162 -3.427 5.789 -9.408 1.00 11.22 C ATOM 105 O ARG A 162 -4.284 6.671 -9.512 1.00 74.21 O ATOM 106 CB ARG A 162 -3.799 4.730 -11.646 1.00 74.42 C ATOM 107 CG ARG A 162 -3.920 3.513 -12.570 1.00 62.13 C ATOM 108 CD ARG A 162 -5.109 2.616 -12.245 1.00 53.43 C ATOM 109 NE ARG A 162 -5.181 1.452 -13.134 1.00 14.03 N ATOM 110 CZ ARG A 162 -6.099 0.477 -13.067 1.00 44.33 C ATOM 111 NH1 ARG A 162 -7.061 0.511 -12.148 1.00 44.54 N ATOM 112 NH2 ARG A 162 -6.054 -0.532 -13.924 1.00 11.31 N ATOM 0 H ARG A 162 -5.599 3.997 -9.919 1.00 54.13 H new ATOM 0 HA ARG A 162 -2.693 3.842 -10.034 1.00 3.15 H new ATOM 0 HB2 ARG A 162 -4.704 5.327 -11.757 1.00 74.42 H new ATOM 0 HB3 ARG A 162 -2.969 5.340 -12.002 1.00 74.42 H new ATOM 0 HG2 ARG A 162 -4.006 3.857 -13.601 1.00 62.13 H new ATOM 0 HG3 ARG A 162 -3.004 2.926 -12.505 1.00 62.13 H new ATOM 0 HD2 ARG A 162 -5.036 2.278 -11.211 1.00 53.43 H new ATOM 0 HD3 ARG A 162 -6.031 3.192 -12.328 1.00 53.43 H new ATOM 0 HE ARG A 162 -4.473 1.378 -13.865 1.00 14.03 H new ATOM 0 HH11 ARG A 162 -7.106 1.285 -11.485 1.00 44.54 H new ATOM 0 HH12 ARG A 162 -7.754 -0.237 -12.107 1.00 44.54 H new ATOM 0 HH21 ARG A 162 -5.322 -0.566 -14.633 1.00 11.31 H new ATOM 0 HH22 ARG A 162 -6.751 -1.275 -13.875 1.00 11.31 H new ATOM 124 N LEU A 163 -2.365 5.925 -8.685 1.00 22.22 N ATOM 125 CA LEU A 163 -2.107 7.113 -7.959 1.00 22.22 C ATOM 126 C LEU A 163 -1.295 8.036 -8.831 1.00 45.50 C ATOM 127 O LEU A 163 -0.366 7.590 -9.531 1.00 60.34 O ATOM 128 CB LEU A 163 -1.403 6.814 -6.614 1.00 1.20 C ATOM 129 CG LEU A 163 -2.063 5.726 -5.752 1.00 11.44 C ATOM 130 CD1 LEU A 163 -1.441 5.659 -4.406 1.00 14.34 C ATOM 131 CD2 LEU A 163 -3.564 5.901 -5.651 1.00 4.43 C ATOM 0 H LEU A 163 -1.649 5.206 -8.584 1.00 22.22 H new ATOM 0 HA LEU A 163 -3.048 7.600 -7.702 1.00 22.22 H new ATOM 0 HB2 LEU A 163 -0.375 6.517 -6.820 1.00 1.20 H new ATOM 0 HB3 LEU A 163 -1.358 7.736 -6.034 1.00 1.20 H new ATOM 0 HG LEU A 163 -1.889 4.775 -6.256 1.00 11.44 H new ATOM 0 HD11 LEU A 163 -1.928 4.881 -3.818 1.00 14.34 H new ATOM 0 HD12 LEU A 163 -0.381 5.428 -4.506 1.00 14.34 H new ATOM 0 HD13 LEU A 163 -1.557 6.619 -3.903 1.00 14.34 H new ATOM 0 HD21 LEU A 163 -3.982 5.107 -5.032 1.00 4.43 H new ATOM 0 HD22 LEU A 163 -3.788 6.868 -5.201 1.00 4.43 H new ATOM 0 HD23 LEU A 163 -4.004 5.853 -6.647 1.00 4.43 H new ATOM 139 N LEU A 164 -1.671 9.296 -8.803 1.00 73.24 N ATOM 140 CA LEU A 164 -1.117 10.345 -9.625 1.00 72.40 C ATOM 141 C LEU A 164 -1.723 10.484 -10.964 1.00 41.31 C ATOM 142 O LEU A 164 -1.368 9.798 -11.922 1.00 41.41 O ATOM 143 CB LEU A 164 0.381 10.485 -9.626 1.00 61.13 C ATOM 144 CG LEU A 164 0.902 11.461 -8.617 1.00 53.13 C ATOM 145 CD1 LEU A 164 2.407 11.439 -8.593 1.00 4.44 C ATOM 146 CD2 LEU A 164 0.376 12.858 -8.945 1.00 71.32 C ATOM 0 H LEU A 164 -2.404 9.630 -8.178 1.00 73.24 H new ATOM 0 HA LEU A 164 -1.446 11.226 -9.073 1.00 72.40 H new ATOM 0 HB2 LEU A 164 0.827 9.509 -9.436 1.00 61.13 H new ATOM 0 HB3 LEU A 164 0.706 10.796 -10.619 1.00 61.13 H new ATOM 0 HG LEU A 164 0.552 11.179 -7.624 1.00 53.13 H new ATOM 0 HD11 LEU A 164 2.770 12.154 -7.854 1.00 4.44 H new ATOM 0 HD12 LEU A 164 2.752 10.439 -8.330 1.00 4.44 H new ATOM 0 HD13 LEU A 164 2.791 11.708 -9.577 1.00 4.44 H new ATOM 0 HD21 LEU A 164 0.754 13.570 -8.212 1.00 71.32 H new ATOM 0 HD22 LEU A 164 0.712 13.149 -9.940 1.00 71.32 H new ATOM 0 HD23 LEU A 164 -0.714 12.852 -8.917 1.00 71.32 H new ATOM 260 N LEU A 172 1.640 11.439 -3.183 1.00 31.11 N ATOM 261 CA LEU A 172 0.311 10.899 -3.440 1.00 52.22 C ATOM 262 C LEU A 172 -0.622 11.180 -2.297 1.00 43.52 C ATOM 263 O LEU A 172 -1.826 11.383 -2.491 1.00 30.03 O ATOM 264 CB LEU A 172 0.350 9.386 -3.654 1.00 31.10 C ATOM 265 CG LEU A 172 1.151 8.840 -4.830 1.00 64.32 C ATOM 266 CD1 LEU A 172 0.763 9.532 -6.077 1.00 44.21 C ATOM 267 CD2 LEU A 172 2.655 8.891 -4.600 1.00 52.03 C ATOM 0 HA LEU A 172 -0.048 11.389 -4.345 1.00 52.22 H new ATOM 0 HB2 LEU A 172 0.744 8.932 -2.745 1.00 31.10 H new ATOM 0 HB3 LEU A 172 -0.678 9.040 -3.763 1.00 31.10 H new ATOM 0 HG LEU A 172 0.905 7.783 -4.927 1.00 64.32 H new ATOM 0 HD11 LEU A 172 1.342 9.133 -6.910 1.00 44.21 H new ATOM 0 HD12 LEU A 172 -0.299 9.375 -6.265 1.00 44.21 H new ATOM 0 HD13 LEU A 172 0.959 10.599 -5.977 1.00 44.21 H new ATOM 0 HD21 LEU A 172 3.170 8.489 -5.472 1.00 52.03 H new ATOM 0 HD22 LEU A 172 2.964 9.924 -4.441 1.00 52.03 H new ATOM 0 HD23 LEU A 172 2.909 8.297 -3.722 1.00 52.03 H new ATOM 275 N GLY A 173 -0.080 11.157 -1.113 1.00 12.54 N ATOM 276 CA GLY A 173 -0.857 11.412 0.047 1.00 12.12 C ATOM 277 C GLY A 173 -1.229 10.149 0.791 1.00 41.32 C ATOM 278 O GLY A 173 -2.378 9.977 1.185 1.00 73.34 O ATOM 0 H GLY A 173 0.905 10.962 -0.934 1.00 12.54 H new ATOM 0 HA2 GLY A 173 -0.301 12.071 0.714 1.00 12.12 H new ATOM 0 HA3 GLY A 173 -1.766 11.941 -0.239 1.00 12.12 H new ATOM 282 N PHE A 174 -0.273 9.264 0.980 1.00 21.31 N ATOM 283 CA PHE A 174 -0.493 8.063 1.760 1.00 73.13 C ATOM 284 C PHE A 174 0.841 7.570 2.267 1.00 43.50 C ATOM 285 O PHE A 174 1.880 7.862 1.679 1.00 11.20 O ATOM 286 CB PHE A 174 -1.204 6.930 0.942 1.00 25.33 C ATOM 287 CG PHE A 174 -0.365 6.289 -0.147 1.00 0.42 C ATOM 288 CD1 PHE A 174 0.029 7.004 -1.250 1.00 13.03 C ATOM 289 CD2 PHE A 174 0.030 4.961 -0.044 1.00 43.22 C ATOM 290 CE1 PHE A 174 0.809 6.426 -2.233 1.00 3.23 C ATOM 291 CE2 PHE A 174 0.809 4.373 -1.033 1.00 13.44 C ATOM 292 CZ PHE A 174 1.202 5.118 -2.128 1.00 11.24 C ATOM 0 H PHE A 174 0.670 9.354 0.602 1.00 21.31 H new ATOM 0 HA PHE A 174 -1.157 8.314 2.587 1.00 73.13 H new ATOM 0 HB2 PHE A 174 -1.525 6.152 1.635 1.00 25.33 H new ATOM 0 HB3 PHE A 174 -2.104 7.344 0.487 1.00 25.33 H new ATOM 0 HD1 PHE A 174 -0.276 8.035 -1.351 1.00 13.03 H new ATOM 0 HD2 PHE A 174 -0.272 4.379 0.814 1.00 43.22 H new ATOM 0 HE1 PHE A 174 1.111 7.010 -3.090 1.00 3.23 H new ATOM 0 HE2 PHE A 174 1.106 3.338 -0.946 1.00 13.44 H new ATOM 0 HZ PHE A 174 1.815 4.672 -2.897 1.00 11.24 H new ATOM 302 N TYR A 175 0.814 6.863 3.344 1.00 42.31 N ATOM 303 CA TYR A 175 1.988 6.256 3.895 1.00 14.23 C ATOM 304 C TYR A 175 1.754 4.798 4.041 1.00 44.32 C ATOM 305 O TYR A 175 0.628 4.365 4.345 1.00 53.43 O ATOM 306 CB TYR A 175 2.355 6.826 5.262 1.00 22.41 C ATOM 307 CG TYR A 175 2.835 8.257 5.266 1.00 24.42 C ATOM 308 CD1 TYR A 175 1.943 9.319 5.311 1.00 3.23 C ATOM 309 CD2 TYR A 175 4.191 8.540 5.241 1.00 72.43 C ATOM 310 CE1 TYR A 175 2.397 10.622 5.330 1.00 35.13 C ATOM 311 CE2 TYR A 175 4.650 9.837 5.266 1.00 71.13 C ATOM 312 CZ TYR A 175 3.750 10.873 5.308 1.00 33.12 C ATOM 313 OH TYR A 175 4.207 12.173 5.345 1.00 72.33 O ATOM 0 H TYR A 175 -0.036 6.684 3.879 1.00 42.31 H new ATOM 0 HA TYR A 175 2.813 6.463 3.213 1.00 14.23 H new ATOM 0 HB2 TYR A 175 1.483 6.753 5.912 1.00 22.41 H new ATOM 0 HB3 TYR A 175 3.133 6.200 5.700 1.00 22.41 H new ATOM 0 HD1 TYR A 175 0.881 9.124 5.331 1.00 3.23 H new ATOM 0 HD2 TYR A 175 4.901 7.727 5.201 1.00 72.43 H new ATOM 0 HE1 TYR A 175 1.694 11.441 5.362 1.00 35.13 H new ATOM 0 HE2 TYR A 175 5.711 10.039 5.253 1.00 71.13 H new ATOM 0 HH TYR A 175 5.187 12.176 5.324 1.00 72.33 H new ATOM 323 N ILE A 176 2.773 4.043 3.837 1.00 50.34 N ATOM 324 CA ILE A 176 2.690 2.630 3.993 1.00 10.41 C ATOM 325 C ILE A 176 3.492 2.224 5.200 1.00 33.04 C ATOM 326 O ILE A 176 4.220 3.035 5.783 1.00 71.32 O ATOM 327 CB ILE A 176 3.148 1.796 2.743 1.00 14.25 C ATOM 328 CG1 ILE A 176 4.680 1.876 2.466 1.00 32.35 C ATOM 329 CG2 ILE A 176 2.345 2.174 1.505 1.00 13.14 C ATOM 330 CD1 ILE A 176 5.214 3.236 2.127 1.00 65.25 C ATOM 0 H ILE A 176 3.692 4.385 3.556 1.00 50.34 H new ATOM 0 HA ILE A 176 1.632 2.400 4.117 1.00 10.41 H new ATOM 0 HB ILE A 176 2.942 0.754 2.987 1.00 14.25 H new ATOM 0 HG12 ILE A 176 5.208 1.508 3.346 1.00 32.35 H new ATOM 0 HG13 ILE A 176 4.917 1.199 1.645 1.00 32.35 H new ATOM 0 HG21 ILE A 176 2.684 1.581 0.656 1.00 13.14 H new ATOM 0 HG22 ILE A 176 1.287 1.980 1.684 1.00 13.14 H new ATOM 0 HG23 ILE A 176 2.488 3.233 1.288 1.00 13.14 H new ATOM 0 HD11 ILE A 176 6.288 3.172 1.955 1.00 65.25 H new ATOM 0 HD12 ILE A 176 4.723 3.606 1.227 1.00 65.25 H new ATOM 0 HD13 ILE A 176 5.019 3.920 2.953 1.00 65.25 H new ATOM 337 N ARG A 177 3.339 1.020 5.570 1.00 62.11 N ATOM 338 CA ARG A 177 3.985 0.456 6.721 1.00 40.41 C ATOM 339 C ARG A 177 4.230 -0.993 6.502 1.00 53.55 C ATOM 340 O ARG A 177 3.518 -1.637 5.734 1.00 33.02 O ATOM 341 CB ARG A 177 3.138 0.628 7.972 1.00 13.43 C ATOM 342 CG ARG A 177 1.694 0.179 7.792 1.00 35.35 C ATOM 343 CD ARG A 177 0.960 0.110 9.103 1.00 14.05 C ATOM 344 NE ARG A 177 -0.456 -0.273 8.943 1.00 22.43 N ATOM 345 CZ ARG A 177 -1.137 -1.046 9.799 1.00 35.21 C ATOM 346 NH1 ARG A 177 -0.516 -1.614 10.818 1.00 23.41 N ATOM 347 NH2 ARG A 177 -2.433 -1.269 9.609 1.00 65.31 N ATOM 0 H ARG A 177 2.742 0.359 5.074 1.00 62.11 H new ATOM 0 HA ARG A 177 4.929 0.982 6.863 1.00 40.41 H new ATOM 0 HB2 ARG A 177 3.588 0.061 8.787 1.00 13.43 H new ATOM 0 HB3 ARG A 177 3.150 1.677 8.269 1.00 13.43 H new ATOM 0 HG2 ARG A 177 1.180 0.870 7.124 1.00 35.35 H new ATOM 0 HG3 ARG A 177 1.675 -0.800 7.314 1.00 35.35 H new ATOM 0 HD2 ARG A 177 1.455 -0.610 9.755 1.00 14.05 H new ATOM 0 HD3 ARG A 177 1.016 1.080 9.598 1.00 14.05 H new ATOM 0 HE ARG A 177 -0.951 0.076 8.122 1.00 22.43 H new ATOM 0 HH11 ARG A 177 0.484 -1.464 10.954 1.00 23.41 H new ATOM 0 HH12 ARG A 177 -1.036 -2.202 11.469 1.00 23.41 H new ATOM 0 HH21 ARG A 177 -2.911 -0.851 8.810 1.00 65.31 H new ATOM 0 HH22 ARG A 177 -2.950 -1.858 10.262 1.00 65.31 H new ATOM 359 N ASP A 178 5.201 -1.499 7.165 1.00 25.31 N ATOM 360 CA ASP A 178 5.537 -2.884 7.072 1.00 4.05 C ATOM 361 C ASP A 178 5.227 -3.549 8.391 1.00 64.21 C ATOM 362 O ASP A 178 5.461 -2.977 9.469 1.00 54.23 O ATOM 363 CB ASP A 178 7.023 -3.067 6.701 1.00 12.21 C ATOM 364 CG ASP A 178 7.980 -2.523 7.749 1.00 11.11 C ATOM 365 OD1 ASP A 178 8.085 -1.290 7.891 1.00 41.33 O ATOM 366 OD2 ASP A 178 8.651 -3.325 8.430 1.00 21.34 O ATOM 0 H ASP A 178 5.797 -0.964 7.797 1.00 25.31 H new ATOM 0 HA ASP A 178 4.946 -3.348 6.282 1.00 4.05 H new ATOM 0 HB2 ASP A 178 7.224 -4.128 6.552 1.00 12.21 H new ATOM 0 HB3 ASP A 178 7.216 -2.569 5.751 1.00 12.21 H new ATOM 371 N GLY A 179 4.673 -4.706 8.313 1.00 50.15 N ATOM 372 CA GLY A 179 4.351 -5.476 9.465 1.00 52.42 C ATOM 373 C GLY A 179 4.417 -6.910 9.104 1.00 30.35 C ATOM 374 O GLY A 179 4.802 -7.235 7.979 1.00 10.11 O ATOM 0 H GLY A 179 4.425 -5.154 7.431 1.00 50.15 H new ATOM 0 HA2 GLY A 179 5.047 -5.257 10.274 1.00 52.42 H new ATOM 0 HA3 GLY A 179 3.354 -5.221 9.825 1.00 52.42 H new ATOM 378 N THR A 180 4.070 -7.781 9.988 1.00 53.11 N ATOM 379 CA THR A 180 4.091 -9.152 9.637 1.00 25.43 C ATOM 380 C THR A 180 2.659 -9.591 9.359 1.00 44.51 C ATOM 381 O THR A 180 1.764 -9.443 10.202 1.00 34.43 O ATOM 382 CB THR A 180 4.689 -10.009 10.746 1.00 64.32 C ATOM 383 OG1 THR A 180 5.483 -9.179 11.610 1.00 12.54 O ATOM 384 CG2 THR A 180 5.626 -11.040 10.137 1.00 53.12 C ATOM 0 H THR A 180 3.774 -7.571 10.941 1.00 53.11 H new ATOM 0 HA THR A 180 4.717 -9.283 8.754 1.00 25.43 H new ATOM 0 HB THR A 180 3.880 -10.490 11.295 1.00 64.32 H new ATOM 0 HG1 THR A 180 5.868 -9.726 12.326 1.00 12.54 H new ATOM 0 HG21 THR A 180 6.055 -11.654 10.929 1.00 53.12 H new ATOM 0 HG22 THR A 180 5.070 -11.674 9.447 1.00 53.12 H new ATOM 0 HG23 THR A 180 6.426 -10.532 9.599 1.00 53.12 H new ATOM 390 N SER A 181 2.449 -10.095 8.201 1.00 1.13 N ATOM 391 CA SER A 181 1.176 -10.535 7.766 1.00 23.51 C ATOM 392 C SER A 181 1.086 -12.021 7.984 1.00 33.31 C ATOM 393 O SER A 181 1.959 -12.757 7.553 1.00 10.44 O ATOM 394 CB SER A 181 1.031 -10.229 6.270 1.00 1.12 C ATOM 395 OG SER A 181 -0.245 -10.604 5.783 1.00 61.10 O ATOM 0 H SER A 181 3.184 -10.217 7.505 1.00 1.13 H new ATOM 0 HA SER A 181 0.386 -10.029 8.321 1.00 23.51 H new ATOM 0 HB2 SER A 181 1.188 -9.164 6.099 1.00 1.12 H new ATOM 0 HB3 SER A 181 1.804 -10.759 5.713 1.00 1.12 H new ATOM 0 HG SER A 181 -0.577 -9.915 5.171 1.00 61.10 H new ATOM 517 N LYS A 191 3.258 -16.176 8.870 1.00 55.41 N ATOM 518 CA LYS A 191 3.520 -14.822 9.198 1.00 42.24 C ATOM 519 C LYS A 191 4.772 -14.399 8.428 1.00 55.25 C ATOM 520 O LYS A 191 5.813 -15.061 8.493 1.00 23.53 O ATOM 521 CB LYS A 191 3.700 -14.723 10.706 1.00 75.01 C ATOM 522 CG LYS A 191 3.494 -13.351 11.285 1.00 22.23 C ATOM 523 CD LYS A 191 3.588 -13.365 12.802 1.00 53.34 C ATOM 524 CE LYS A 191 2.497 -14.244 13.412 1.00 73.12 C ATOM 525 NZ LYS A 191 2.524 -14.240 14.883 1.00 71.22 N ATOM 0 HA LYS A 191 2.703 -14.156 8.920 1.00 42.24 H new ATOM 0 HB2 LYS A 191 3.003 -15.411 11.185 1.00 75.01 H new ATOM 0 HB3 LYS A 191 4.705 -15.060 10.959 1.00 75.01 H new ATOM 0 HG2 LYS A 191 4.241 -12.668 10.880 1.00 22.23 H new ATOM 0 HG3 LYS A 191 2.518 -12.971 10.984 1.00 22.23 H new ATOM 0 HD2 LYS A 191 4.568 -13.733 13.105 1.00 53.34 H new ATOM 0 HD3 LYS A 191 3.497 -12.348 13.185 1.00 53.34 H new ATOM 0 HE2 LYS A 191 1.522 -13.897 13.069 1.00 73.12 H new ATOM 0 HE3 LYS A 191 2.616 -15.266 13.053 1.00 73.12 H new ATOM 0 HZ1 LYS A 191 1.765 -14.851 15.246 1.00 71.22 H new ATOM 0 HZ2 LYS A 191 3.443 -14.596 15.214 1.00 71.22 H new ATOM 0 HZ3 LYS A 191 2.383 -13.270 15.230 1.00 71.22 H new ATOM 539 N GLN A 192 4.655 -13.331 7.700 1.00 44.04 N ATOM 540 CA GLN A 192 5.692 -12.886 6.772 1.00 73.20 C ATOM 541 C GLN A 192 5.627 -11.381 6.622 1.00 23.33 C ATOM 542 O GLN A 192 4.613 -10.796 6.952 1.00 41.32 O ATOM 543 CB GLN A 192 5.458 -13.542 5.400 1.00 1.50 C ATOM 544 CG GLN A 192 4.095 -13.247 4.785 1.00 12.12 C ATOM 545 CD GLN A 192 3.963 -13.797 3.387 1.00 64.14 C ATOM 546 OE1 GLN A 192 3.544 -14.945 3.182 1.00 20.51 O ATOM 547 NE2 GLN A 192 4.303 -12.985 2.411 1.00 21.14 N ATOM 0 H GLN A 192 3.834 -12.726 7.721 1.00 44.04 H new ATOM 0 HA GLN A 192 6.671 -13.171 7.157 1.00 73.20 H new ATOM 0 HB2 GLN A 192 6.234 -13.205 4.713 1.00 1.50 H new ATOM 0 HB3 GLN A 192 5.571 -14.621 5.503 1.00 1.50 H new ATOM 0 HG2 GLN A 192 3.315 -13.674 5.415 1.00 12.12 H new ATOM 0 HG3 GLN A 192 3.934 -12.169 4.765 1.00 12.12 H new ATOM 0 HE21 GLN A 192 4.644 -12.047 2.623 1.00 21.14 H new ATOM 0 HE22 GLN A 192 4.226 -13.293 1.442 1.00 21.14 H new ATOM 555 N PRO A 193 6.691 -10.720 6.136 1.00 35.14 N ATOM 556 CA PRO A 193 6.657 -9.277 5.917 1.00 44.34 C ATOM 557 C PRO A 193 5.538 -8.896 4.942 1.00 32.14 C ATOM 558 O PRO A 193 5.365 -9.523 3.881 1.00 50.31 O ATOM 559 CB PRO A 193 8.036 -8.954 5.312 1.00 71.54 C ATOM 560 CG PRO A 193 8.584 -10.268 4.867 1.00 15.50 C ATOM 561 CD PRO A 193 7.994 -11.299 5.783 1.00 3.42 C ATOM 0 HA PRO A 193 6.460 -8.723 6.835 1.00 44.34 H new ATOM 0 HB2 PRO A 193 7.947 -8.261 4.476 1.00 71.54 H new ATOM 0 HB3 PRO A 193 8.689 -8.484 6.048 1.00 71.54 H new ATOM 0 HG2 PRO A 193 8.317 -10.470 3.830 1.00 15.50 H new ATOM 0 HG3 PRO A 193 9.673 -10.275 4.923 1.00 15.50 H new ATOM 0 HD2 PRO A 193 7.886 -12.264 5.288 1.00 3.42 H new ATOM 0 HD3 PRO A 193 8.616 -11.460 6.663 1.00 3.42 H new ATOM 569 N GLY A 194 4.789 -7.907 5.313 1.00 22.20 N ATOM 570 CA GLY A 194 3.708 -7.451 4.515 1.00 72.42 C ATOM 571 C GLY A 194 3.541 -5.991 4.677 1.00 10.50 C ATOM 572 O GLY A 194 3.772 -5.458 5.767 1.00 14.43 O ATOM 0 H GLY A 194 4.915 -7.393 6.185 1.00 22.20 H new ATOM 0 HA2 GLY A 194 3.892 -7.690 3.468 1.00 72.42 H new ATOM 0 HA3 GLY A 194 2.791 -7.965 4.803 1.00 72.42 H new ATOM 576 N ILE A 195 3.172 -5.334 3.632 1.00 55.41 N ATOM 577 CA ILE A 195 3.008 -3.925 3.673 1.00 32.25 C ATOM 578 C ILE A 195 1.541 -3.558 3.680 1.00 41.24 C ATOM 579 O ILE A 195 0.743 -4.109 2.932 1.00 65.02 O ATOM 580 CB ILE A 195 3.819 -3.174 2.555 1.00 21.24 C ATOM 581 CG1 ILE A 195 5.342 -3.278 2.810 1.00 2.25 C ATOM 582 CG2 ILE A 195 3.408 -1.716 2.425 1.00 34.00 C ATOM 583 CD1 ILE A 195 5.969 -4.635 2.529 1.00 0.02 C ATOM 0 H ILE A 195 2.976 -5.760 2.726 1.00 55.41 H new ATOM 0 HA ILE A 195 3.440 -3.577 4.611 1.00 32.25 H new ATOM 0 HB ILE A 195 3.583 -3.668 1.612 1.00 21.24 H new ATOM 0 HG12 ILE A 195 5.846 -2.532 2.196 1.00 2.25 H new ATOM 0 HG13 ILE A 195 5.536 -3.018 3.851 1.00 2.25 H new ATOM 0 HG21 ILE A 195 3.996 -1.241 1.640 1.00 34.00 H new ATOM 0 HG22 ILE A 195 2.350 -1.658 2.171 1.00 34.00 H new ATOM 0 HG23 ILE A 195 3.583 -1.203 3.371 1.00 34.00 H new ATOM 0 HD11 ILE A 195 7.037 -4.593 2.742 1.00 0.02 H new ATOM 0 HD12 ILE A 195 5.502 -5.390 3.162 1.00 0.02 H new ATOM 0 HD13 ILE A 195 5.817 -4.896 1.482 1.00 0.02 H new ATOM 590 N PHE A 196 1.204 -2.657 4.550 1.00 13.44 N ATOM 591 CA PHE A 196 -0.155 -2.224 4.765 1.00 64.23 C ATOM 592 C PHE A 196 -0.188 -0.719 4.683 1.00 12.32 C ATOM 593 O PHE A 196 0.867 -0.063 4.661 1.00 14.14 O ATOM 594 CB PHE A 196 -0.638 -2.652 6.171 1.00 3.31 C ATOM 595 CG PHE A 196 -0.533 -4.128 6.476 1.00 33.50 C ATOM 596 CD1 PHE A 196 0.671 -4.676 6.905 1.00 11.32 C ATOM 597 CD2 PHE A 196 -1.627 -4.962 6.337 1.00 50.24 C ATOM 598 CE1 PHE A 196 0.779 -6.021 7.187 1.00 65.14 C ATOM 599 CE2 PHE A 196 -1.526 -6.314 6.622 1.00 2.21 C ATOM 600 CZ PHE A 196 -0.321 -6.843 7.044 1.00 60.31 C ATOM 0 H PHE A 196 1.880 -2.185 5.150 1.00 13.44 H new ATOM 0 HA PHE A 196 -0.803 -2.673 4.013 1.00 64.23 H new ATOM 0 HB2 PHE A 196 -0.062 -2.103 6.916 1.00 3.31 H new ATOM 0 HB3 PHE A 196 -1.679 -2.349 6.286 1.00 3.31 H new ATOM 0 HD1 PHE A 196 1.535 -4.038 7.019 1.00 11.32 H new ATOM 0 HD2 PHE A 196 -2.570 -4.555 6.003 1.00 50.24 H new ATOM 0 HE1 PHE A 196 1.722 -6.431 7.519 1.00 65.14 H new ATOM 0 HE2 PHE A 196 -2.389 -6.955 6.514 1.00 2.21 H new ATOM 0 HZ PHE A 196 -0.240 -7.898 7.262 1.00 60.31 H new ATOM 610 N ILE A 197 -1.364 -0.175 4.623 1.00 61.41 N ATOM 611 CA ILE A 197 -1.545 1.259 4.612 1.00 22.40 C ATOM 612 C ILE A 197 -1.345 1.777 6.044 1.00 1.32 C ATOM 613 O ILE A 197 -1.839 1.198 6.986 1.00 50.34 O ATOM 614 CB ILE A 197 -2.952 1.655 4.099 1.00 42.33 C ATOM 615 CG1 ILE A 197 -3.236 1.015 2.732 1.00 72.43 C ATOM 616 CG2 ILE A 197 -3.109 3.178 4.021 1.00 12.13 C ATOM 617 CD1 ILE A 197 -2.275 1.402 1.638 1.00 4.11 C ATOM 0 H ILE A 197 -2.233 -0.707 4.580 1.00 61.41 H new ATOM 0 HA ILE A 197 -0.817 1.704 3.933 1.00 22.40 H new ATOM 0 HB ILE A 197 -3.682 1.278 4.815 1.00 42.33 H new ATOM 0 HG12 ILE A 197 -3.219 -0.069 2.844 1.00 72.43 H new ATOM 0 HG13 ILE A 197 -4.245 1.287 2.422 1.00 72.43 H new ATOM 0 HG21 ILE A 197 -4.107 3.423 3.658 1.00 12.13 H new ATOM 0 HG22 ILE A 197 -2.968 3.610 5.012 1.00 12.13 H new ATOM 0 HG23 ILE A 197 -2.364 3.586 3.338 1.00 12.13 H new ATOM 0 HD11 ILE A 197 -2.557 0.901 0.712 1.00 4.11 H new ATOM 0 HD12 ILE A 197 -2.307 2.482 1.491 1.00 4.11 H new ATOM 0 HD13 ILE A 197 -1.265 1.104 1.919 1.00 4.11 H new ATOM 624 N SER A 198 -0.573 2.790 6.207 1.00 12.04 N ATOM 625 CA SER A 198 -0.309 3.325 7.532 1.00 25.21 C ATOM 626 C SER A 198 -1.062 4.607 7.818 1.00 71.34 C ATOM 627 O SER A 198 -1.477 4.846 8.953 1.00 22.22 O ATOM 628 CB SER A 198 1.203 3.470 7.748 1.00 21.10 C ATOM 629 OG SER A 198 1.555 4.248 8.872 1.00 62.41 O ATOM 0 H SER A 198 -0.102 3.281 5.447 1.00 12.04 H new ATOM 0 HA SER A 198 -0.692 2.609 8.259 1.00 25.21 H new ATOM 0 HB2 SER A 198 1.640 2.477 7.856 1.00 21.10 H new ATOM 0 HB3 SER A 198 1.645 3.918 6.858 1.00 21.10 H new ATOM 0 HG SER A 198 2.531 4.294 8.945 1.00 62.41 H new ATOM 635 N ARG A 199 -1.255 5.410 6.807 1.00 54.34 N ATOM 636 CA ARG A 199 -1.918 6.694 6.958 1.00 31.21 C ATOM 637 C ARG A 199 -2.267 7.285 5.613 1.00 32.44 C ATOM 638 O ARG A 199 -1.523 7.121 4.656 1.00 10.11 O ATOM 639 CB ARG A 199 -1.037 7.674 7.792 1.00 73.32 C ATOM 640 CG ARG A 199 -1.527 9.123 7.814 1.00 15.43 C ATOM 641 CD ARG A 199 -0.753 9.986 8.802 1.00 13.42 C ATOM 642 NE ARG A 199 0.709 9.914 8.629 1.00 23.51 N ATOM 643 CZ ARG A 199 1.568 10.924 8.857 1.00 5.03 C ATOM 644 NH1 ARG A 199 1.121 12.157 9.114 1.00 42.42 N ATOM 645 NH2 ARG A 199 2.872 10.695 8.807 1.00 65.14 N ATOM 0 H ARG A 199 -0.961 5.201 5.853 1.00 54.34 H new ATOM 0 HA ARG A 199 -2.850 6.534 7.500 1.00 31.21 H new ATOM 0 HB2 ARG A 199 -0.984 7.308 8.817 1.00 73.32 H new ATOM 0 HB3 ARG A 199 -0.022 7.655 7.394 1.00 73.32 H new ATOM 0 HG2 ARG A 199 -1.435 9.549 6.815 1.00 15.43 H new ATOM 0 HG3 ARG A 199 -2.586 9.141 8.073 1.00 15.43 H new ATOM 0 HD2 ARG A 199 -1.073 11.023 8.694 1.00 13.42 H new ATOM 0 HD3 ARG A 199 -1.006 9.678 9.817 1.00 13.42 H new ATOM 0 HE ARG A 199 1.101 9.028 8.311 1.00 23.51 H new ATOM 0 HH11 ARG A 199 0.118 12.341 9.139 1.00 42.42 H new ATOM 0 HH12 ARG A 199 1.783 12.914 9.285 1.00 42.42 H new ATOM 0 HH21 ARG A 199 3.218 9.759 8.597 1.00 65.14 H new ATOM 0 HH22 ARG A 199 3.530 11.455 8.979 1.00 65.14 H new ATOM 657 N LEU A 200 -3.398 7.926 5.537 1.00 52.22 N ATOM 658 CA LEU A 200 -3.776 8.665 4.362 1.00 63.22 C ATOM 659 C LEU A 200 -3.584 10.112 4.643 1.00 42.11 C ATOM 660 O LEU A 200 -3.935 10.585 5.726 1.00 71.43 O ATOM 661 CB LEU A 200 -5.247 8.475 3.990 1.00 41.10 C ATOM 662 CG LEU A 200 -5.705 7.122 3.490 1.00 51.41 C ATOM 663 CD1 LEU A 200 -7.178 7.213 3.162 1.00 35.35 C ATOM 664 CD2 LEU A 200 -4.931 6.721 2.254 1.00 34.22 C ATOM 0 H LEU A 200 -4.087 7.952 6.289 1.00 52.22 H new ATOM 0 HA LEU A 200 -3.160 8.303 3.539 1.00 63.22 H new ATOM 0 HB2 LEU A 200 -5.844 8.721 4.868 1.00 41.10 H new ATOM 0 HB3 LEU A 200 -5.491 9.210 3.223 1.00 41.10 H new ATOM 0 HG LEU A 200 -5.530 6.369 4.259 1.00 51.41 H new ATOM 0 HD11 LEU A 200 -7.530 6.247 2.799 1.00 35.35 H new ATOM 0 HD12 LEU A 200 -7.734 7.489 4.058 1.00 35.35 H new ATOM 0 HD13 LEU A 200 -7.333 7.969 2.392 1.00 35.35 H new ATOM 0 HD21 LEU A 200 -5.275 5.746 1.910 1.00 34.22 H new ATOM 0 HD22 LEU A 200 -5.091 7.460 1.469 1.00 34.22 H new ATOM 0 HD23 LEU A 200 -3.868 6.668 2.491 1.00 34.22 H new ATOM 672 N VAL A 201 -3.042 10.816 3.711 1.00 24.23 N ATOM 673 CA VAL A 201 -2.936 12.224 3.846 1.00 15.55 C ATOM 674 C VAL A 201 -4.155 12.790 3.177 1.00 43.53 C ATOM 675 O VAL A 201 -4.333 12.636 1.950 1.00 65.30 O ATOM 676 CB VAL A 201 -1.659 12.773 3.173 1.00 31.13 C ATOM 677 CG1 VAL A 201 -1.569 14.283 3.321 1.00 70.14 C ATOM 678 CG2 VAL A 201 -0.425 12.103 3.754 1.00 71.24 C ATOM 0 H VAL A 201 -2.664 10.436 2.843 1.00 24.23 H new ATOM 0 HA VAL A 201 -2.872 12.504 4.897 1.00 15.55 H new ATOM 0 HB VAL A 201 -1.711 12.544 2.109 1.00 31.13 H new ATOM 0 HG11 VAL A 201 -0.660 14.642 2.838 1.00 70.14 H new ATOM 0 HG12 VAL A 201 -2.437 14.747 2.852 1.00 70.14 H new ATOM 0 HG13 VAL A 201 -1.545 14.544 4.379 1.00 70.14 H new ATOM 0 HG21 VAL A 201 0.467 12.500 3.270 1.00 71.24 H new ATOM 0 HG22 VAL A 201 -0.374 12.300 4.825 1.00 71.24 H new ATOM 0 HG23 VAL A 201 -0.481 11.028 3.585 1.00 71.24 H new ATOM 684 N PRO A 202 -5.034 13.422 3.936 1.00 21.43 N ATOM 685 CA PRO A 202 -6.255 13.920 3.386 1.00 65.12 C ATOM 686 C PRO A 202 -5.975 15.109 2.473 1.00 11.03 C ATOM 687 O PRO A 202 -5.329 16.092 2.881 1.00 54.00 O ATOM 688 CB PRO A 202 -7.082 14.326 4.604 1.00 65.31 C ATOM 689 CG PRO A 202 -6.085 14.570 5.689 1.00 24.55 C ATOM 690 CD PRO A 202 -4.898 13.703 5.382 1.00 72.44 C ATOM 0 HA PRO A 202 -6.778 13.187 2.772 1.00 65.12 H new ATOM 0 HB2 PRO A 202 -7.670 15.221 4.401 1.00 65.31 H new ATOM 0 HB3 PRO A 202 -7.784 13.540 4.883 1.00 65.31 H new ATOM 0 HG2 PRO A 202 -5.799 15.621 5.723 1.00 24.55 H new ATOM 0 HG3 PRO A 202 -6.505 14.322 6.664 1.00 24.55 H new ATOM 0 HD2 PRO A 202 -3.961 14.214 5.604 1.00 72.44 H new ATOM 0 HD3 PRO A 202 -4.909 12.786 5.971 1.00 72.44 H new ATOM 698 N GLY A 203 -6.455 15.026 1.266 1.00 11.24 N ATOM 699 CA GLY A 203 -6.142 16.026 0.280 1.00 53.21 C ATOM 700 C GLY A 203 -5.306 15.416 -0.819 1.00 64.42 C ATOM 701 O GLY A 203 -5.105 16.015 -1.880 1.00 22.15 O ATOM 0 H GLY A 203 -7.065 14.277 0.938 1.00 11.24 H new ATOM 0 HA2 GLY A 203 -7.061 16.440 -0.136 1.00 53.21 H new ATOM 0 HA3 GLY A 203 -5.603 16.851 0.744 1.00 53.21 H new ATOM 705 N GLY A 204 -4.807 14.223 -0.554 1.00 14.40 N ATOM 706 CA GLY A 204 -4.061 13.492 -1.539 1.00 73.03 C ATOM 707 C GLY A 204 -4.985 12.617 -2.346 1.00 32.34 C ATOM 708 O GLY A 204 -6.148 12.420 -1.957 1.00 22.11 O ATOM 0 H GLY A 204 -4.910 13.745 0.341 1.00 14.40 H new ATOM 0 HA2 GLY A 204 -3.537 14.185 -2.197 1.00 73.03 H new ATOM 0 HA3 GLY A 204 -3.302 12.880 -1.051 1.00 73.03 H new ATOM 712 N LEU A 205 -4.491 12.054 -3.443 1.00 54.12 N ATOM 713 CA LEU A 205 -5.308 11.244 -4.305 1.00 45.04 C ATOM 714 C LEU A 205 -5.768 9.976 -3.606 1.00 63.12 C ATOM 715 O LEU A 205 -6.852 9.453 -3.887 1.00 43.23 O ATOM 716 CB LEU A 205 -4.580 10.930 -5.596 1.00 63.35 C ATOM 717 CG LEU A 205 -4.215 12.114 -6.469 1.00 24.30 C ATOM 718 CD1 LEU A 205 -3.612 11.656 -7.752 1.00 63.41 C ATOM 719 CD2 LEU A 205 -5.391 13.039 -6.713 1.00 23.04 C ATOM 0 H LEU A 205 -3.522 12.151 -3.748 1.00 54.12 H new ATOM 0 HA LEU A 205 -6.201 11.817 -4.554 1.00 45.04 H new ATOM 0 HB2 LEU A 205 -3.665 10.392 -5.350 1.00 63.35 H new ATOM 0 HB3 LEU A 205 -5.200 10.252 -6.182 1.00 63.35 H new ATOM 0 HG LEU A 205 -3.470 12.696 -5.926 1.00 24.30 H new ATOM 0 HD11 LEU A 205 -3.357 12.521 -8.364 1.00 63.41 H new ATOM 0 HD12 LEU A 205 -2.710 11.080 -7.545 1.00 63.41 H new ATOM 0 HD13 LEU A 205 -4.327 11.031 -8.287 1.00 63.41 H new ATOM 0 HD21 LEU A 205 -5.075 13.870 -7.344 1.00 23.04 H new ATOM 0 HD22 LEU A 205 -6.190 12.489 -7.211 1.00 23.04 H new ATOM 0 HD23 LEU A 205 -5.755 13.424 -5.760 1.00 23.04 H new ATOM 727 N ALA A 206 -4.956 9.502 -2.679 1.00 52.23 N ATOM 728 CA ALA A 206 -5.279 8.320 -1.898 1.00 25.11 C ATOM 729 C ALA A 206 -6.556 8.547 -1.066 1.00 33.43 C ATOM 730 O ALA A 206 -7.478 7.730 -1.084 1.00 14.23 O ATOM 731 CB ALA A 206 -4.106 7.951 -1.015 1.00 4.40 C ATOM 0 H ALA A 206 -4.057 9.923 -2.446 1.00 52.23 H new ATOM 0 HA ALA A 206 -5.474 7.489 -2.576 1.00 25.11 H new ATOM 0 HB1 ALA A 206 -4.354 7.064 -0.432 1.00 4.40 H new ATOM 0 HB2 ALA A 206 -3.234 7.745 -1.636 1.00 4.40 H new ATOM 0 HB3 ALA A 206 -3.884 8.778 -0.341 1.00 4.40 H new ATOM 737 N GLU A 207 -6.618 9.673 -0.373 1.00 53.02 N ATOM 738 CA GLU A 207 -7.797 10.014 0.419 1.00 73.45 C ATOM 739 C GLU A 207 -8.939 10.415 -0.515 1.00 21.34 C ATOM 740 O GLU A 207 -10.110 10.182 -0.222 1.00 3.12 O ATOM 741 CB GLU A 207 -7.492 11.143 1.410 1.00 23.45 C ATOM 742 CG GLU A 207 -8.666 11.518 2.325 1.00 41.22 C ATOM 743 CD GLU A 207 -9.078 10.413 3.274 1.00 55.35 C ATOM 744 OE1 GLU A 207 -8.447 10.284 4.342 1.00 21.21 O ATOM 745 OE2 GLU A 207 -10.062 9.690 2.985 1.00 3.10 O ATOM 0 H GLU A 207 -5.871 10.366 -0.340 1.00 53.02 H new ATOM 0 HA GLU A 207 -8.093 9.139 0.998 1.00 73.45 H new ATOM 0 HB2 GLU A 207 -6.645 10.848 2.029 1.00 23.45 H new ATOM 0 HB3 GLU A 207 -7.186 12.027 0.851 1.00 23.45 H new ATOM 0 HG2 GLU A 207 -8.395 12.400 2.905 1.00 41.22 H new ATOM 0 HG3 GLU A 207 -9.522 11.793 1.708 1.00 41.22 H new ATOM 752 N SER A 208 -8.581 11.026 -1.643 1.00 63.14 N ATOM 753 CA SER A 208 -9.546 11.437 -2.636 1.00 5.04 C ATOM 754 C SER A 208 -10.385 10.224 -3.110 1.00 1.13 C ATOM 755 O SER A 208 -11.603 10.344 -3.292 1.00 22.21 O ATOM 756 CB SER A 208 -8.845 12.140 -3.817 1.00 4.13 C ATOM 757 OG SER A 208 -9.777 12.701 -4.738 1.00 30.50 O ATOM 0 H SER A 208 -7.615 11.245 -1.885 1.00 63.14 H new ATOM 0 HA SER A 208 -10.229 12.157 -2.185 1.00 5.04 H new ATOM 0 HB2 SER A 208 -8.195 12.927 -3.435 1.00 4.13 H new ATOM 0 HB3 SER A 208 -8.208 11.425 -4.337 1.00 4.13 H new ATOM 0 HG SER A 208 -9.292 13.138 -5.469 1.00 30.50 H new ATOM 763 N THR A 209 -9.743 9.057 -3.295 1.00 52.02 N ATOM 764 CA THR A 209 -10.511 7.877 -3.635 1.00 54.20 C ATOM 765 C THR A 209 -11.150 7.318 -2.355 1.00 51.52 C ATOM 766 O THR A 209 -12.309 6.915 -2.353 1.00 64.12 O ATOM 767 CB THR A 209 -9.689 6.762 -4.407 1.00 74.21 C ATOM 768 OG1 THR A 209 -10.580 5.749 -4.864 1.00 3.42 O ATOM 769 CG2 THR A 209 -8.639 6.083 -3.521 1.00 2.34 C ATOM 0 H THR A 209 -8.735 8.920 -3.216 1.00 52.02 H new ATOM 0 HA THR A 209 -11.281 8.184 -4.343 1.00 54.20 H new ATOM 0 HB THR A 209 -9.181 7.262 -5.232 1.00 74.21 H new ATOM 0 HG1 THR A 209 -10.158 5.245 -5.591 1.00 3.42 H new ATOM 0 HG21 THR A 209 -8.106 5.329 -4.101 1.00 2.34 H new ATOM 0 HG22 THR A 209 -7.931 6.829 -3.159 1.00 2.34 H new ATOM 0 HG23 THR A 209 -9.131 5.608 -2.673 1.00 2.34 H new ATOM 775 N GLY A 210 -10.375 7.339 -1.253 1.00 42.52 N ATOM 776 CA GLY A 210 -10.856 6.883 0.039 1.00 34.43 C ATOM 777 C GLY A 210 -11.315 5.449 0.027 1.00 3.52 C ATOM 778 O GLY A 210 -12.237 5.073 0.757 1.00 71.14 O ATOM 0 H GLY A 210 -9.411 7.671 -1.246 1.00 42.52 H new ATOM 0 HA2 GLY A 210 -10.062 6.998 0.777 1.00 34.43 H new ATOM 0 HA3 GLY A 210 -11.681 7.520 0.358 1.00 34.43 H new ATOM 782 N LEU A 211 -10.699 4.647 -0.805 1.00 61.30 N ATOM 783 CA LEU A 211 -11.078 3.277 -0.896 1.00 52.13 C ATOM 784 C LEU A 211 -10.099 2.404 -0.157 1.00 35.42 C ATOM 785 O LEU A 211 -10.416 1.280 0.215 1.00 43.44 O ATOM 786 CB LEU A 211 -11.305 2.852 -2.375 1.00 41.42 C ATOM 787 CG LEU A 211 -10.120 2.734 -3.350 1.00 44.55 C ATOM 788 CD1 LEU A 211 -9.183 1.593 -3.004 1.00 42.23 C ATOM 789 CD2 LEU A 211 -10.662 2.578 -4.747 1.00 15.42 C ATOM 0 H LEU A 211 -9.937 4.926 -1.423 1.00 61.30 H new ATOM 0 HA LEU A 211 -12.040 3.141 -0.402 1.00 52.13 H new ATOM 0 HB2 LEU A 211 -11.803 1.883 -2.357 1.00 41.42 H new ATOM 0 HB3 LEU A 211 -12.008 3.564 -2.809 1.00 41.42 H new ATOM 0 HG LEU A 211 -9.523 3.643 -3.273 1.00 44.55 H new ATOM 0 HD11 LEU A 211 -8.367 1.560 -3.726 1.00 42.23 H new ATOM 0 HD12 LEU A 211 -8.776 1.747 -2.004 1.00 42.23 H new ATOM 0 HD13 LEU A 211 -9.731 0.651 -3.032 1.00 42.23 H new ATOM 0 HD21 LEU A 211 -9.834 2.493 -5.451 1.00 15.42 H new ATOM 0 HD22 LEU A 211 -11.277 1.680 -4.800 1.00 15.42 H new ATOM 0 HD23 LEU A 211 -11.267 3.448 -5.002 1.00 15.42 H new ATOM 797 N LEU A 212 -8.918 2.941 0.081 1.00 53.14 N ATOM 798 CA LEU A 212 -7.893 2.212 0.765 1.00 2.12 C ATOM 799 C LEU A 212 -7.723 2.828 2.140 1.00 3.22 C ATOM 800 O LEU A 212 -7.695 4.059 2.280 1.00 21.41 O ATOM 801 CB LEU A 212 -6.537 2.201 -0.030 1.00 73.14 C ATOM 802 CG LEU A 212 -5.681 3.488 -0.092 1.00 14.25 C ATOM 803 CD1 LEU A 212 -4.353 3.219 -0.812 1.00 1.33 C ATOM 804 CD2 LEU A 212 -6.409 4.639 -0.759 1.00 12.52 C ATOM 0 H LEU A 212 -8.653 3.887 -0.195 1.00 53.14 H new ATOM 0 HA LEU A 212 -8.191 1.167 0.853 1.00 2.12 H new ATOM 0 HB2 LEU A 212 -5.914 1.415 0.397 1.00 73.14 H new ATOM 0 HB3 LEU A 212 -6.762 1.908 -1.056 1.00 73.14 H new ATOM 0 HG LEU A 212 -5.482 3.782 0.938 1.00 14.25 H new ATOM 0 HD11 LEU A 212 -3.765 4.136 -0.846 1.00 1.33 H new ATOM 0 HD12 LEU A 212 -3.797 2.451 -0.275 1.00 1.33 H new ATOM 0 HD13 LEU A 212 -4.552 2.879 -1.828 1.00 1.33 H new ATOM 0 HD21 LEU A 212 -5.763 5.517 -0.776 1.00 12.52 H new ATOM 0 HD22 LEU A 212 -6.671 4.361 -1.780 1.00 12.52 H new ATOM 0 HD23 LEU A 212 -7.317 4.867 -0.201 1.00 12.52 H new ATOM 812 N ALA A 213 -7.651 2.009 3.131 1.00 61.51 N ATOM 813 CA ALA A 213 -7.561 2.457 4.485 1.00 54.44 C ATOM 814 C ALA A 213 -6.424 1.772 5.194 1.00 23.22 C ATOM 815 O ALA A 213 -5.899 0.780 4.718 1.00 32.23 O ATOM 816 CB ALA A 213 -8.868 2.216 5.212 1.00 11.24 C ATOM 0 H ALA A 213 -7.653 0.994 3.027 1.00 61.51 H new ATOM 0 HA ALA A 213 -7.364 3.529 4.481 1.00 54.44 H new ATOM 0 HB1 ALA A 213 -8.781 2.563 6.242 1.00 11.24 H new ATOM 0 HB2 ALA A 213 -9.669 2.761 4.712 1.00 11.24 H new ATOM 0 HB3 ALA A 213 -9.096 1.150 5.207 1.00 11.24 H new ATOM 822 N VAL A 214 -6.064 2.304 6.339 1.00 71.11 N ATOM 823 CA VAL A 214 -4.937 1.841 7.132 1.00 15.53 C ATOM 824 C VAL A 214 -4.972 0.329 7.462 1.00 61.43 C ATOM 825 O VAL A 214 -3.942 -0.304 7.618 1.00 44.51 O ATOM 826 CB VAL A 214 -4.753 2.695 8.404 1.00 3.03 C ATOM 827 CG1 VAL A 214 -4.623 4.162 8.031 1.00 40.02 C ATOM 828 CG2 VAL A 214 -5.877 2.481 9.403 1.00 32.22 C ATOM 0 H VAL A 214 -6.557 3.092 6.760 1.00 71.11 H new ATOM 0 HA VAL A 214 -4.061 1.976 6.497 1.00 15.53 H new ATOM 0 HB VAL A 214 -3.834 2.373 8.894 1.00 3.03 H new ATOM 0 HG11 VAL A 214 -4.494 4.757 8.935 1.00 40.02 H new ATOM 0 HG12 VAL A 214 -3.759 4.297 7.381 1.00 40.02 H new ATOM 0 HG13 VAL A 214 -5.524 4.486 7.509 1.00 40.02 H new ATOM 0 HG21 VAL A 214 -5.706 3.102 10.282 1.00 32.22 H new ATOM 0 HG22 VAL A 214 -6.828 2.755 8.945 1.00 32.22 H new ATOM 0 HG23 VAL A 214 -5.906 1.432 9.700 1.00 32.22 H new ATOM 834 N ASN A 215 -6.140 -0.225 7.578 1.00 45.03 N ATOM 835 CA ASN A 215 -6.270 -1.649 7.925 1.00 3.22 C ATOM 836 C ASN A 215 -6.006 -2.562 6.729 1.00 75.32 C ATOM 837 O ASN A 215 -5.777 -3.769 6.898 1.00 64.31 O ATOM 838 CB ASN A 215 -7.648 -1.976 8.528 1.00 35.23 C ATOM 839 CG ASN A 215 -7.935 -1.242 9.821 1.00 23.12 C ATOM 840 OD1 ASN A 215 -7.587 -1.708 10.912 1.00 15.51 O ATOM 841 ND2 ASN A 215 -8.595 -0.128 9.726 1.00 52.44 N ATOM 0 H ASN A 215 -7.025 0.264 7.443 1.00 45.03 H new ATOM 0 HA ASN A 215 -5.507 -1.839 8.680 1.00 3.22 H new ATOM 0 HB2 ASN A 215 -8.421 -1.729 7.801 1.00 35.23 H new ATOM 0 HB3 ASN A 215 -7.711 -3.049 8.708 1.00 35.23 H new ATOM 0 HD21 ASN A 215 -8.842 0.392 10.568 1.00 52.44 H new ATOM 0 HD22 ASN A 215 -8.866 0.227 8.809 1.00 52.44 H new ATOM 847 N ASP A 216 -6.020 -1.987 5.542 1.00 11.23 N ATOM 848 CA ASP A 216 -5.911 -2.742 4.303 1.00 2.14 C ATOM 849 C ASP A 216 -4.472 -3.135 3.997 1.00 32.50 C ATOM 850 O ASP A 216 -3.514 -2.476 4.450 1.00 53.33 O ATOM 851 CB ASP A 216 -6.505 -1.948 3.142 1.00 52.52 C ATOM 852 CG ASP A 216 -7.956 -1.555 3.378 1.00 72.42 C ATOM 853 OD1 ASP A 216 -8.693 -2.280 4.106 1.00 31.13 O ATOM 854 OD2 ASP A 216 -8.373 -0.519 2.852 1.00 0.22 O ATOM 0 H ASP A 216 -6.107 -0.980 5.406 1.00 11.23 H new ATOM 0 HA ASP A 216 -6.479 -3.663 4.433 1.00 2.14 H new ATOM 0 HB2 ASP A 216 -5.911 -1.048 2.982 1.00 52.52 H new ATOM 0 HB3 ASP A 216 -6.438 -2.541 2.230 1.00 52.52 H new ATOM 859 N GLU A 217 -4.328 -4.194 3.217 1.00 54.14 N ATOM 860 CA GLU A 217 -3.026 -4.766 2.882 1.00 51.33 C ATOM 861 C GLU A 217 -2.659 -4.525 1.426 1.00 31.01 C ATOM 862 O GLU A 217 -3.497 -4.646 0.546 1.00 3.34 O ATOM 863 CB GLU A 217 -3.011 -6.270 3.203 1.00 61.11 C ATOM 864 CG GLU A 217 -1.719 -6.999 2.849 1.00 34.53 C ATOM 865 CD GLU A 217 -1.806 -8.479 3.129 1.00 52.50 C ATOM 866 OE1 GLU A 217 -2.286 -9.240 2.262 1.00 52.23 O ATOM 867 OE2 GLU A 217 -1.425 -8.908 4.225 1.00 50.11 O ATOM 0 H GLU A 217 -5.114 -4.687 2.794 1.00 54.14 H new ATOM 0 HA GLU A 217 -2.275 -4.264 3.492 1.00 51.33 H new ATOM 0 HB2 GLU A 217 -3.202 -6.399 4.268 1.00 61.11 H new ATOM 0 HB3 GLU A 217 -3.835 -6.746 2.672 1.00 61.11 H new ATOM 0 HG2 GLU A 217 -1.493 -6.843 1.794 1.00 34.53 H new ATOM 0 HG3 GLU A 217 -0.894 -6.571 3.419 1.00 34.53 H new ATOM 874 N VAL A 218 -1.399 -4.207 1.189 1.00 65.11 N ATOM 875 CA VAL A 218 -0.906 -3.931 -0.137 1.00 32.32 C ATOM 876 C VAL A 218 -0.456 -5.236 -0.799 1.00 75.31 C ATOM 877 O VAL A 218 0.433 -5.930 -0.307 1.00 40.43 O ATOM 878 CB VAL A 218 0.271 -2.911 -0.112 1.00 70.10 C ATOM 879 CG1 VAL A 218 0.661 -2.511 -1.517 1.00 5.54 C ATOM 880 CG2 VAL A 218 -0.081 -1.677 0.713 1.00 71.32 C ATOM 0 H VAL A 218 -0.690 -4.134 1.919 1.00 65.11 H new ATOM 0 HA VAL A 218 -1.716 -3.485 -0.714 1.00 32.32 H new ATOM 0 HB VAL A 218 1.122 -3.400 0.361 1.00 70.10 H new ATOM 0 HG11 VAL A 218 1.485 -1.798 -1.477 1.00 5.54 H new ATOM 0 HG12 VAL A 218 0.973 -3.395 -2.074 1.00 5.54 H new ATOM 0 HG13 VAL A 218 -0.193 -2.051 -2.015 1.00 5.54 H new ATOM 0 HG21 VAL A 218 0.761 -0.985 0.710 1.00 71.32 H new ATOM 0 HG22 VAL A 218 -0.954 -1.188 0.281 1.00 71.32 H new ATOM 0 HG23 VAL A 218 -0.302 -1.975 1.738 1.00 71.32 H new ATOM 886 N ILE A 219 -1.078 -5.543 -1.904 1.00 52.53 N ATOM 887 CA ILE A 219 -0.848 -6.767 -2.641 1.00 35.21 C ATOM 888 C ILE A 219 0.259 -6.617 -3.683 1.00 65.44 C ATOM 889 O ILE A 219 1.227 -7.388 -3.692 1.00 33.13 O ATOM 890 CB ILE A 219 -2.167 -7.244 -3.337 1.00 74.51 C ATOM 891 CG1 ILE A 219 -3.221 -7.615 -2.291 1.00 14.05 C ATOM 892 CG2 ILE A 219 -1.917 -8.419 -4.272 1.00 11.02 C ATOM 893 CD1 ILE A 219 -2.767 -8.708 -1.380 1.00 0.01 C ATOM 0 H ILE A 219 -1.778 -4.937 -2.332 1.00 52.53 H new ATOM 0 HA ILE A 219 -0.524 -7.516 -1.918 1.00 35.21 H new ATOM 0 HB ILE A 219 -2.539 -6.414 -3.938 1.00 74.51 H new ATOM 0 HG12 ILE A 219 -3.467 -6.733 -1.700 1.00 14.05 H new ATOM 0 HG13 ILE A 219 -4.136 -7.925 -2.796 1.00 14.05 H new ATOM 0 HG21 ILE A 219 -2.856 -8.721 -4.736 1.00 11.02 H new ATOM 0 HG22 ILE A 219 -1.208 -8.124 -5.046 1.00 11.02 H new ATOM 0 HG23 ILE A 219 -1.507 -9.255 -3.705 1.00 11.02 H new ATOM 0 HD11 ILE A 219 -3.553 -8.931 -0.659 1.00 0.01 H new ATOM 0 HD12 ILE A 219 -2.548 -9.601 -1.965 1.00 0.01 H new ATOM 0 HD13 ILE A 219 -1.868 -8.391 -0.851 1.00 0.01 H new ATOM 900 N GLU A 220 0.131 -5.633 -4.544 1.00 50.43 N ATOM 901 CA GLU A 220 1.072 -5.456 -5.635 1.00 30.10 C ATOM 902 C GLU A 220 1.114 -4.011 -6.107 1.00 43.11 C ATOM 903 O GLU A 220 0.122 -3.278 -5.978 1.00 34.41 O ATOM 904 CB GLU A 220 0.703 -6.389 -6.811 1.00 44.12 C ATOM 905 CG GLU A 220 -0.713 -6.229 -7.303 1.00 11.43 C ATOM 906 CD GLU A 220 -1.025 -7.061 -8.510 1.00 34.01 C ATOM 907 OE1 GLU A 220 -1.283 -8.275 -8.367 1.00 51.25 O ATOM 908 OE2 GLU A 220 -1.048 -6.510 -9.621 1.00 62.35 O ATOM 0 H GLU A 220 -0.616 -4.940 -4.513 1.00 50.43 H new ATOM 0 HA GLU A 220 2.064 -5.715 -5.266 1.00 30.10 H new ATOM 0 HB2 GLU A 220 1.387 -6.201 -7.638 1.00 44.12 H new ATOM 0 HB3 GLU A 220 0.854 -7.423 -6.501 1.00 44.12 H new ATOM 0 HG2 GLU A 220 -1.400 -6.496 -6.500 1.00 11.43 H new ATOM 0 HG3 GLU A 220 -0.891 -5.180 -7.539 1.00 11.43 H new ATOM 915 N VAL A 221 2.253 -3.603 -6.639 1.00 33.24 N ATOM 916 CA VAL A 221 2.410 -2.286 -7.204 1.00 64.31 C ATOM 917 C VAL A 221 2.832 -2.399 -8.678 1.00 22.15 C ATOM 918 O VAL A 221 3.798 -3.076 -9.014 1.00 23.02 O ATOM 919 CB VAL A 221 3.410 -1.373 -6.398 1.00 63.33 C ATOM 920 CG1 VAL A 221 4.780 -1.952 -6.342 1.00 64.35 C ATOM 921 CG2 VAL A 221 3.455 0.029 -6.974 1.00 25.33 C ATOM 0 H VAL A 221 3.092 -4.181 -6.689 1.00 33.24 H new ATOM 0 HA VAL A 221 1.441 -1.792 -7.137 1.00 64.31 H new ATOM 0 HB VAL A 221 3.033 -1.321 -5.377 1.00 63.33 H new ATOM 0 HG11 VAL A 221 5.433 -1.287 -5.776 1.00 64.35 H new ATOM 0 HG12 VAL A 221 4.744 -2.926 -5.854 1.00 64.35 H new ATOM 0 HG13 VAL A 221 5.168 -2.067 -7.354 1.00 64.35 H new ATOM 0 HG21 VAL A 221 4.153 0.637 -6.398 1.00 25.33 H new ATOM 0 HG22 VAL A 221 3.783 -0.015 -8.013 1.00 25.33 H new ATOM 0 HG23 VAL A 221 2.461 0.474 -6.926 1.00 25.33 H new ATOM 927 N ASN A 222 2.037 -1.791 -9.541 1.00 4.45 N ATOM 928 CA ASN A 222 2.254 -1.715 -11.003 1.00 4.33 C ATOM 929 C ASN A 222 2.133 -3.105 -11.658 1.00 51.21 C ATOM 930 O ASN A 222 2.353 -3.279 -12.853 1.00 13.33 O ATOM 931 CB ASN A 222 3.617 -1.057 -11.319 1.00 53.01 C ATOM 932 CG ASN A 222 3.721 -0.553 -12.749 1.00 70.12 C ATOM 933 OD1 ASN A 222 4.126 -1.262 -13.658 1.00 71.10 O ATOM 934 ND2 ASN A 222 3.386 0.704 -12.939 1.00 22.23 N ATOM 0 H ASN A 222 1.185 -1.313 -9.246 1.00 4.45 H new ATOM 0 HA ASN A 222 1.472 -1.087 -11.430 1.00 4.33 H new ATOM 0 HB2 ASN A 222 3.779 -0.224 -10.634 1.00 53.01 H new ATOM 0 HB3 ASN A 222 4.413 -1.779 -11.136 1.00 53.01 H new ATOM 0 HD21 ASN A 222 3.460 1.117 -13.869 1.00 22.23 H new ATOM 0 HD22 ASN A 222 3.052 1.267 -12.157 1.00 22.23 H new ATOM 940 N GLY A 223 1.717 -4.066 -10.875 1.00 34.40 N ATOM 941 CA GLY A 223 1.604 -5.418 -11.359 1.00 51.45 C ATOM 942 C GLY A 223 2.593 -6.351 -10.692 1.00 11.15 C ATOM 943 O GLY A 223 2.542 -7.564 -10.893 1.00 30.44 O ATOM 0 H GLY A 223 1.451 -3.938 -9.899 1.00 34.40 H new ATOM 0 HA2 GLY A 223 0.591 -5.781 -11.185 1.00 51.45 H new ATOM 0 HA3 GLY A 223 1.766 -5.431 -12.437 1.00 51.45 H new ATOM 947 N ILE A 224 3.490 -5.795 -9.901 1.00 62.24 N ATOM 948 CA ILE A 224 4.484 -6.581 -9.207 1.00 54.14 C ATOM 949 C ILE A 224 4.066 -6.761 -7.766 1.00 15.23 C ATOM 950 O ILE A 224 3.824 -5.782 -7.060 1.00 61.11 O ATOM 951 CB ILE A 224 5.860 -5.894 -9.222 1.00 4.22 C ATOM 952 CG1 ILE A 224 6.313 -5.630 -10.654 1.00 33.24 C ATOM 953 CG2 ILE A 224 6.884 -6.770 -8.496 1.00 41.23 C ATOM 954 CD1 ILE A 224 7.624 -4.895 -10.729 1.00 31.33 C ATOM 0 H ILE A 224 3.548 -4.792 -9.724 1.00 62.24 H new ATOM 0 HA ILE A 224 4.561 -7.541 -9.717 1.00 54.14 H new ATOM 0 HB ILE A 224 5.779 -4.937 -8.707 1.00 4.22 H new ATOM 0 HG12 ILE A 224 6.404 -6.580 -11.181 1.00 33.24 H new ATOM 0 HG13 ILE A 224 5.548 -5.051 -11.171 1.00 33.24 H new ATOM 0 HG21 ILE A 224 7.857 -6.279 -8.509 1.00 41.23 H new ATOM 0 HG22 ILE A 224 6.567 -6.920 -7.464 1.00 41.23 H new ATOM 0 HG23 ILE A 224 6.958 -7.735 -8.997 1.00 41.23 H new ATOM 0 HD11 ILE A 224 7.893 -4.737 -11.773 1.00 31.33 H new ATOM 0 HD12 ILE A 224 7.530 -3.931 -10.228 1.00 31.33 H new ATOM 0 HD13 ILE A 224 8.400 -5.484 -10.240 1.00 31.33 H new ATOM 961 N GLU A 225 3.972 -7.996 -7.346 1.00 60.24 N ATOM 962 CA GLU A 225 3.579 -8.341 -5.987 1.00 72.55 C ATOM 963 C GLU A 225 4.530 -7.756 -4.955 1.00 41.42 C ATOM 964 O GLU A 225 5.756 -7.812 -5.098 1.00 61.12 O ATOM 965 CB GLU A 225 3.494 -9.851 -5.834 1.00 75.54 C ATOM 966 CG GLU A 225 4.806 -10.553 -6.082 1.00 54.12 C ATOM 967 CD GLU A 225 4.634 -12.042 -6.237 1.00 63.43 C ATOM 968 OE1 GLU A 225 4.356 -12.491 -7.365 1.00 64.35 O ATOM 969 OE2 GLU A 225 4.760 -12.780 -5.242 1.00 34.50 O ATOM 0 H GLU A 225 4.166 -8.805 -7.937 1.00 60.24 H new ATOM 0 HA GLU A 225 2.596 -7.906 -5.807 1.00 72.55 H new ATOM 0 HB2 GLU A 225 3.148 -10.088 -4.828 1.00 75.54 H new ATOM 0 HB3 GLU A 225 2.747 -10.238 -6.527 1.00 75.54 H new ATOM 0 HG2 GLU A 225 5.269 -10.147 -6.981 1.00 54.12 H new ATOM 0 HG3 GLU A 225 5.486 -10.352 -5.254 1.00 54.12 H new ATOM 976 N VAL A 226 3.959 -7.189 -3.938 1.00 3.21 N ATOM 977 CA VAL A 226 4.716 -6.626 -2.855 1.00 54.34 C ATOM 978 C VAL A 226 4.395 -7.344 -1.574 1.00 0.45 C ATOM 979 O VAL A 226 4.924 -7.028 -0.508 1.00 74.44 O ATOM 980 CB VAL A 226 4.486 -5.105 -2.709 1.00 12.22 C ATOM 981 CG1 VAL A 226 4.991 -4.390 -3.924 1.00 44.44 C ATOM 982 CG2 VAL A 226 3.031 -4.774 -2.486 1.00 42.11 C ATOM 0 H VAL A 226 2.948 -7.101 -3.832 1.00 3.21 H new ATOM 0 HA VAL A 226 5.773 -6.762 -3.084 1.00 54.34 H new ATOM 0 HB VAL A 226 5.040 -4.772 -1.831 1.00 12.22 H new ATOM 0 HG11 VAL A 226 4.824 -3.319 -3.811 1.00 44.44 H new ATOM 0 HG12 VAL A 226 6.058 -4.581 -4.041 1.00 44.44 H new ATOM 0 HG13 VAL A 226 4.459 -4.749 -4.805 1.00 44.44 H new ATOM 0 HG21 VAL A 226 2.914 -3.695 -2.389 1.00 42.11 H new ATOM 0 HG22 VAL A 226 2.443 -5.128 -3.333 1.00 42.11 H new ATOM 0 HG23 VAL A 226 2.683 -5.260 -1.575 1.00 42.11 H new ATOM 988 N ALA A 227 3.562 -8.348 -1.688 1.00 70.22 N ATOM 989 CA ALA A 227 3.164 -9.116 -0.545 1.00 2.25 C ATOM 990 C ALA A 227 4.205 -10.172 -0.264 1.00 40.33 C ATOM 991 O ALA A 227 4.262 -11.202 -0.932 1.00 53.25 O ATOM 992 CB ALA A 227 1.795 -9.737 -0.756 1.00 11.43 C ATOM 0 H ALA A 227 3.146 -8.651 -2.569 1.00 70.22 H new ATOM 0 HA ALA A 227 3.088 -8.456 0.319 1.00 2.25 H new ATOM 0 HB1 ALA A 227 1.517 -10.314 0.126 1.00 11.43 H new ATOM 0 HB2 ALA A 227 1.060 -8.949 -0.921 1.00 11.43 H new ATOM 0 HB3 ALA A 227 1.824 -10.394 -1.625 1.00 11.43 H new ATOM 998 N GLY A 228 5.063 -9.890 0.672 1.00 74.54 N ATOM 999 CA GLY A 228 6.113 -10.810 1.011 1.00 65.41 C ATOM 1000 C GLY A 228 7.455 -10.194 0.817 1.00 14.44 C ATOM 1001 O GLY A 228 8.461 -10.698 1.315 1.00 52.03 O ATOM 0 H GLY A 228 5.058 -9.028 1.217 1.00 74.54 H new ATOM 0 HA2 GLY A 228 6.002 -11.126 2.048 1.00 65.41 H new ATOM 0 HA3 GLY A 228 6.029 -11.705 0.394 1.00 65.41 H new ATOM 1005 N LYS A 229 7.478 -9.107 0.089 1.00 41.44 N ATOM 1006 CA LYS A 229 8.707 -8.389 -0.159 1.00 4.01 C ATOM 1007 C LYS A 229 9.072 -7.574 1.067 1.00 24.33 C ATOM 1008 O LYS A 229 8.286 -7.465 2.010 1.00 3.13 O ATOM 1009 CB LYS A 229 8.545 -7.448 -1.353 1.00 10.54 C ATOM 1010 CG LYS A 229 7.988 -8.104 -2.591 1.00 2.25 C ATOM 1011 CD LYS A 229 8.828 -9.268 -3.037 1.00 62.32 C ATOM 1012 CE LYS A 229 8.180 -9.968 -4.198 1.00 33.14 C ATOM 1013 NZ LYS A 229 8.951 -11.144 -4.625 1.00 53.34 N ATOM 0 H LYS A 229 6.653 -8.695 -0.347 1.00 41.44 H new ATOM 0 HA LYS A 229 9.494 -9.110 -0.378 1.00 4.01 H new ATOM 0 HB2 LYS A 229 7.890 -6.626 -1.066 1.00 10.54 H new ATOM 0 HB3 LYS A 229 9.516 -7.013 -1.592 1.00 10.54 H new ATOM 0 HG2 LYS A 229 6.971 -8.445 -2.395 1.00 2.25 H new ATOM 0 HG3 LYS A 229 7.929 -7.370 -3.395 1.00 2.25 H new ATOM 0 HD2 LYS A 229 9.821 -8.920 -3.322 1.00 62.32 H new ATOM 0 HD3 LYS A 229 8.960 -9.967 -2.211 1.00 62.32 H new ATOM 0 HE2 LYS A 229 7.172 -10.275 -3.920 1.00 33.14 H new ATOM 0 HE3 LYS A 229 8.083 -9.274 -5.033 1.00 33.14 H new ATOM 0 HZ1 LYS A 229 8.472 -11.600 -5.428 1.00 53.34 H new ATOM 0 HZ2 LYS A 229 9.905 -10.847 -4.914 1.00 53.34 H new ATOM 0 HZ3 LYS A 229 9.022 -11.818 -3.836 1.00 53.34 H new ATOM 1027 N THR A 230 10.232 -6.989 1.049 1.00 14.12 N ATOM 1028 CA THR A 230 10.642 -6.170 2.137 1.00 71.23 C ATOM 1029 C THR A 230 10.254 -4.751 1.827 1.00 14.40 C ATOM 1030 O THR A 230 9.936 -4.438 0.663 1.00 32.22 O ATOM 1031 CB THR A 230 12.157 -6.287 2.383 1.00 30.14 C ATOM 1032 OG1 THR A 230 12.867 -6.037 1.158 1.00 61.32 O ATOM 1033 CG2 THR A 230 12.509 -7.674 2.910 1.00 3.41 C ATOM 0 H THR A 230 10.908 -7.067 0.289 1.00 14.12 H new ATOM 0 HA THR A 230 10.149 -6.499 3.051 1.00 71.23 H new ATOM 0 HB THR A 230 12.448 -5.548 3.129 1.00 30.14 H new ATOM 0 HG1 THR A 230 13.831 -6.111 1.318 1.00 61.32 H new ATOM 0 HG21 THR A 230 13.584 -7.737 3.078 1.00 3.41 H new ATOM 0 HG22 THR A 230 11.984 -7.850 3.849 1.00 3.41 H new ATOM 0 HG23 THR A 230 12.211 -8.427 2.181 1.00 3.41 H new ATOM 1039 N LEU A 231 10.271 -3.892 2.820 1.00 52.31 N ATOM 1040 CA LEU A 231 9.869 -2.534 2.623 1.00 74.01 C ATOM 1041 C LEU A 231 10.770 -1.845 1.597 1.00 32.33 C ATOM 1042 O LEU A 231 10.297 -1.068 0.778 1.00 20.13 O ATOM 1043 CB LEU A 231 9.845 -1.778 3.935 1.00 51.42 C ATOM 1044 CG LEU A 231 9.339 -0.352 3.854 1.00 23.44 C ATOM 1045 CD1 LEU A 231 7.884 -0.308 3.378 1.00 42.22 C ATOM 1046 CD2 LEU A 231 9.497 0.337 5.183 1.00 15.41 C ATOM 0 H LEU A 231 10.561 -4.118 3.771 1.00 52.31 H new ATOM 0 HA LEU A 231 8.854 -2.534 2.227 1.00 74.01 H new ATOM 0 HB2 LEU A 231 9.221 -2.327 4.640 1.00 51.42 H new ATOM 0 HB3 LEU A 231 10.855 -1.765 4.346 1.00 51.42 H new ATOM 0 HG LEU A 231 9.940 0.183 3.118 1.00 23.44 H new ATOM 0 HD11 LEU A 231 7.548 0.728 3.330 1.00 42.22 H new ATOM 0 HD12 LEU A 231 7.811 -0.760 2.389 1.00 42.22 H new ATOM 0 HD13 LEU A 231 7.256 -0.861 4.076 1.00 42.22 H new ATOM 0 HD21 LEU A 231 9.129 1.360 5.108 1.00 15.41 H new ATOM 0 HD22 LEU A 231 8.926 -0.199 5.941 1.00 15.41 H new ATOM 0 HD23 LEU A 231 10.550 0.350 5.463 1.00 15.41 H new ATOM 1054 N ASP A 232 12.057 -2.166 1.628 1.00 50.21 N ATOM 1055 CA ASP A 232 13.012 -1.638 0.647 1.00 72.42 C ATOM 1056 C ASP A 232 12.572 -2.006 -0.753 1.00 12.12 C ATOM 1057 O ASP A 232 12.438 -1.138 -1.614 1.00 11.10 O ATOM 1058 CB ASP A 232 14.424 -2.180 0.897 1.00 2.41 C ATOM 1059 CG ASP A 232 15.430 -1.687 -0.130 1.00 64.43 C ATOM 1060 OD1 ASP A 232 15.933 -0.558 0.015 1.00 33.52 O ATOM 1061 OD2 ASP A 232 15.751 -2.434 -1.087 1.00 72.12 O ATOM 0 H ASP A 232 12.470 -2.790 2.321 1.00 50.21 H new ATOM 0 HA ASP A 232 13.035 -0.553 0.753 1.00 72.42 H new ATOM 0 HB2 ASP A 232 14.752 -1.883 1.893 1.00 2.41 H new ATOM 0 HB3 ASP A 232 14.399 -3.270 0.881 1.00 2.41 H new ATOM 1066 N GLN A 233 12.300 -3.297 -0.953 1.00 1.10 N ATOM 1067 CA GLN A 233 11.856 -3.814 -2.238 1.00 24.21 C ATOM 1068 C GLN A 233 10.629 -3.089 -2.764 1.00 34.15 C ATOM 1069 O GLN A 233 10.615 -2.642 -3.905 1.00 13.32 O ATOM 1070 CB GLN A 233 11.582 -5.319 -2.175 1.00 22.35 C ATOM 1071 CG GLN A 233 12.824 -6.176 -2.055 1.00 14.13 C ATOM 1072 CD GLN A 233 12.502 -7.652 -1.953 1.00 64.51 C ATOM 1073 OE1 GLN A 233 12.385 -8.345 -2.955 1.00 33.21 O ATOM 1074 NE2 GLN A 233 12.412 -8.152 -0.749 1.00 72.40 N ATOM 0 H GLN A 233 12.383 -4.008 -0.227 1.00 1.10 H new ATOM 0 HA GLN A 233 12.676 -3.633 -2.934 1.00 24.21 H new ATOM 0 HB2 GLN A 233 10.931 -5.522 -1.324 1.00 22.35 H new ATOM 0 HB3 GLN A 233 11.037 -5.615 -3.071 1.00 22.35 H new ATOM 0 HG2 GLN A 233 13.464 -6.006 -2.921 1.00 14.13 H new ATOM 0 HG3 GLN A 233 13.390 -5.869 -1.175 1.00 14.13 H new ATOM 0 HE21 GLN A 233 12.515 -7.545 0.064 1.00 72.40 H new ATOM 0 HE22 GLN A 233 12.239 -9.149 -0.623 1.00 72.40 H new ATOM 1082 N VAL A 234 9.627 -2.934 -1.919 1.00 61.32 N ATOM 1083 CA VAL A 234 8.351 -2.365 -2.349 1.00 10.22 C ATOM 1084 C VAL A 234 8.429 -0.845 -2.545 1.00 64.02 C ATOM 1085 O VAL A 234 7.821 -0.295 -3.465 1.00 52.34 O ATOM 1086 CB VAL A 234 7.214 -2.712 -1.351 1.00 35.35 C ATOM 1087 CG1 VAL A 234 7.205 -4.189 -1.078 1.00 31.50 C ATOM 1088 CG2 VAL A 234 7.335 -1.947 -0.059 1.00 43.54 C ATOM 0 H VAL A 234 9.666 -3.191 -0.933 1.00 61.32 H new ATOM 0 HA VAL A 234 8.123 -2.816 -3.315 1.00 10.22 H new ATOM 0 HB VAL A 234 6.272 -2.418 -1.814 1.00 35.35 H new ATOM 0 HG11 VAL A 234 6.404 -4.425 -0.377 1.00 31.50 H new ATOM 0 HG12 VAL A 234 7.042 -4.730 -2.010 1.00 31.50 H new ATOM 0 HG13 VAL A 234 8.162 -4.486 -0.649 1.00 31.50 H new ATOM 0 HG21 VAL A 234 6.517 -2.224 0.606 1.00 43.54 H new ATOM 0 HG22 VAL A 234 8.286 -2.185 0.417 1.00 43.54 H new ATOM 0 HG23 VAL A 234 7.289 -0.877 -0.264 1.00 43.54 H new ATOM 1094 N THR A 235 9.211 -0.193 -1.724 1.00 21.45 N ATOM 1095 CA THR A 235 9.287 1.253 -1.743 1.00 41.44 C ATOM 1096 C THR A 235 10.082 1.681 -2.936 1.00 61.40 C ATOM 1097 O THR A 235 9.776 2.682 -3.580 1.00 35.45 O ATOM 1098 CB THR A 235 9.894 1.841 -0.450 1.00 45.34 C ATOM 1099 OG1 THR A 235 9.183 1.328 0.684 1.00 51.23 O ATOM 1100 CG2 THR A 235 9.748 3.354 -0.453 1.00 63.31 C ATOM 0 H THR A 235 9.809 -0.639 -1.029 1.00 21.45 H new ATOM 0 HA THR A 235 8.270 1.640 -1.805 1.00 41.44 H new ATOM 0 HB THR A 235 10.948 1.566 -0.399 1.00 45.34 H new ATOM 0 HG1 THR A 235 9.524 0.437 0.908 1.00 51.23 H new ATOM 0 HG21 THR A 235 10.178 3.763 0.461 1.00 63.31 H new ATOM 0 HG22 THR A 235 10.269 3.768 -1.316 1.00 63.31 H new ATOM 0 HG23 THR A 235 8.692 3.617 -0.507 1.00 63.31 H new ATOM 1106 N ASP A 236 11.087 0.884 -3.256 1.00 53.03 N ATOM 1107 CA ASP A 236 11.905 1.119 -4.421 1.00 35.33 C ATOM 1108 C ASP A 236 11.035 1.108 -5.656 1.00 31.21 C ATOM 1109 O ASP A 236 11.267 1.876 -6.593 1.00 63.44 O ATOM 1110 CB ASP A 236 12.999 0.067 -4.531 1.00 42.44 C ATOM 1111 CG ASP A 236 13.884 0.257 -5.733 1.00 40.23 C ATOM 1112 OD1 ASP A 236 14.771 1.135 -5.696 1.00 71.24 O ATOM 1113 OD2 ASP A 236 13.723 -0.478 -6.726 1.00 10.44 O ATOM 0 H ASP A 236 11.354 0.061 -2.715 1.00 53.03 H new ATOM 0 HA ASP A 236 12.385 2.093 -4.328 1.00 35.33 H new ATOM 0 HB2 ASP A 236 13.611 0.093 -3.629 1.00 42.44 H new ATOM 0 HB3 ASP A 236 12.541 -0.921 -4.577 1.00 42.44 H new ATOM 1118 N MET A 237 9.981 0.272 -5.635 1.00 12.12 N ATOM 1119 CA MET A 237 9.078 0.221 -6.763 1.00 65.33 C ATOM 1120 C MET A 237 8.235 1.479 -6.742 1.00 23.53 C ATOM 1121 O MET A 237 8.057 2.118 -7.742 1.00 11.44 O ATOM 1122 CB MET A 237 8.110 -0.991 -6.756 1.00 50.15 C ATOM 1123 CG MET A 237 8.604 -2.273 -6.146 1.00 4.20 C ATOM 1124 SD MET A 237 7.556 -3.655 -6.655 1.00 1.44 S ATOM 1125 CE MET A 237 8.230 -5.009 -5.733 1.00 2.23 C ATOM 0 H MET A 237 9.750 -0.355 -4.865 1.00 12.12 H new ATOM 0 HA MET A 237 9.699 0.127 -7.654 1.00 65.33 H new ATOM 0 HB2 MET A 237 7.204 -0.694 -6.227 1.00 50.15 H new ATOM 0 HB3 MET A 237 7.824 -1.198 -7.787 1.00 50.15 H new ATOM 0 HG2 MET A 237 9.634 -2.456 -6.453 1.00 4.20 H new ATOM 0 HG3 MET A 237 8.605 -2.190 -5.059 1.00 4.20 H new ATOM 0 HE1 MET A 237 7.474 -5.787 -5.624 1.00 2.23 H new ATOM 0 HE2 MET A 237 9.094 -5.414 -6.260 1.00 2.23 H new ATOM 0 HE3 MET A 237 8.537 -4.661 -4.747 1.00 2.23 H new ATOM 1135 N MET A 238 7.744 1.837 -5.568 1.00 13.03 N ATOM 1136 CA MET A 238 6.865 3.002 -5.411 1.00 14.10 C ATOM 1137 C MET A 238 7.544 4.290 -5.852 1.00 61.24 C ATOM 1138 O MET A 238 6.935 5.110 -6.517 1.00 21.44 O ATOM 1139 CB MET A 238 6.337 3.118 -3.983 1.00 72.23 C ATOM 1140 CG MET A 238 5.545 1.922 -3.548 1.00 52.40 C ATOM 1141 SD MET A 238 4.996 2.033 -1.852 1.00 60.25 S ATOM 1142 CE MET A 238 4.279 0.420 -1.689 1.00 24.41 C ATOM 0 H MET A 238 7.936 1.339 -4.699 1.00 13.03 H new ATOM 0 HA MET A 238 6.010 2.844 -6.069 1.00 14.10 H new ATOM 0 HB2 MET A 238 7.177 3.257 -3.302 1.00 72.23 H new ATOM 0 HB3 MET A 238 5.712 4.008 -3.905 1.00 72.23 H new ATOM 0 HG2 MET A 238 4.678 1.810 -4.199 1.00 52.40 H new ATOM 0 HG3 MET A 238 6.153 1.026 -3.670 1.00 52.40 H new ATOM 0 HE1 MET A 238 3.250 0.513 -1.340 1.00 24.41 H new ATOM 0 HE2 MET A 238 4.290 -0.083 -2.656 1.00 24.41 H new ATOM 0 HE3 MET A 238 4.855 -0.163 -0.970 1.00 24.41 H new ATOM 1152 N VAL A 239 8.809 4.443 -5.499 1.00 30.31 N ATOM 1153 CA VAL A 239 9.593 5.591 -5.912 1.00 70.24 C ATOM 1154 C VAL A 239 9.775 5.585 -7.437 1.00 12.43 C ATOM 1155 O VAL A 239 9.692 6.625 -8.095 1.00 20.11 O ATOM 1156 CB VAL A 239 10.981 5.598 -5.209 1.00 41.01 C ATOM 1157 CG1 VAL A 239 11.836 6.751 -5.689 1.00 41.31 C ATOM 1158 CG2 VAL A 239 10.812 5.676 -3.700 1.00 13.11 C ATOM 0 H VAL A 239 9.319 3.776 -4.920 1.00 30.31 H new ATOM 0 HA VAL A 239 9.057 6.494 -5.619 1.00 70.24 H new ATOM 0 HB VAL A 239 11.486 4.667 -5.466 1.00 41.01 H new ATOM 0 HG11 VAL A 239 12.799 6.727 -5.179 1.00 41.31 H new ATOM 0 HG12 VAL A 239 11.993 6.665 -6.764 1.00 41.31 H new ATOM 0 HG13 VAL A 239 11.333 7.693 -5.470 1.00 41.31 H new ATOM 0 HG21 VAL A 239 11.792 5.680 -3.224 1.00 13.11 H new ATOM 0 HG22 VAL A 239 10.279 6.591 -3.440 1.00 13.11 H new ATOM 0 HG23 VAL A 239 10.243 4.813 -3.353 1.00 13.11 H new ATOM 1164 N ALA A 240 9.973 4.402 -7.992 1.00 45.43 N ATOM 1165 CA ALA A 240 10.175 4.253 -9.427 1.00 34.13 C ATOM 1166 C ALA A 240 8.858 4.391 -10.196 1.00 51.32 C ATOM 1167 O ALA A 240 8.843 4.651 -11.398 1.00 71.32 O ATOM 1168 CB ALA A 240 10.866 2.932 -9.731 1.00 41.24 C ATOM 0 H ALA A 240 9.999 3.526 -7.470 1.00 45.43 H new ATOM 0 HA ALA A 240 10.825 5.060 -9.765 1.00 34.13 H new ATOM 0 HB1 ALA A 240 11.010 2.836 -10.807 1.00 41.24 H new ATOM 0 HB2 ALA A 240 11.835 2.905 -9.232 1.00 41.24 H new ATOM 0 HB3 ALA A 240 10.249 2.108 -9.372 1.00 41.24 H new ATOM 1174 N ASN A 241 7.767 4.209 -9.499 1.00 51.24 N ATOM 1175 CA ASN A 241 6.447 4.359 -10.075 1.00 44.20 C ATOM 1176 C ASN A 241 5.788 5.614 -9.563 1.00 51.25 C ATOM 1177 O ASN A 241 4.590 5.738 -9.607 1.00 32.20 O ATOM 1178 CB ASN A 241 5.537 3.136 -9.823 1.00 32.13 C ATOM 1179 CG ASN A 241 6.017 1.871 -10.491 1.00 52.31 C ATOM 1180 OD1 ASN A 241 5.703 1.609 -11.631 1.00 25.41 O ATOM 1181 ND2 ASN A 241 6.753 1.077 -9.784 1.00 23.10 N ATOM 0 H ASN A 241 7.764 3.952 -8.512 1.00 51.24 H new ATOM 0 HA ASN A 241 6.584 4.434 -11.154 1.00 44.20 H new ATOM 0 HB2 ASN A 241 5.465 2.964 -8.749 1.00 32.13 H new ATOM 0 HB3 ASN A 241 4.532 3.364 -10.177 1.00 32.13 H new ATOM 0 HD21 ASN A 241 7.087 0.200 -10.184 1.00 23.10 H new ATOM 0 HD22 ASN A 241 7.000 1.328 -8.826 1.00 23.10 H new ATOM 1187 N SER A 242 6.587 6.560 -9.097 1.00 52.04 N ATOM 1188 CA SER A 242 6.064 7.852 -8.620 1.00 44.32 C ATOM 1189 C SER A 242 5.398 8.592 -9.795 1.00 42.42 C ATOM 1190 O SER A 242 4.565 9.476 -9.611 1.00 54.33 O ATOM 1191 CB SER A 242 7.193 8.681 -7.974 1.00 54.34 C ATOM 1192 OG SER A 242 6.706 9.867 -7.364 1.00 75.04 O ATOM 0 H SER A 242 7.601 6.468 -9.035 1.00 52.04 H new ATOM 0 HA SER A 242 5.310 7.690 -7.850 1.00 44.32 H new ATOM 0 HB2 SER A 242 7.705 8.074 -7.227 1.00 54.34 H new ATOM 0 HB3 SER A 242 7.930 8.941 -8.733 1.00 54.34 H new ATOM 0 HG SER A 242 7.453 10.361 -6.966 1.00 75.04 H new ATOM 1198 N SER A 243 5.798 8.234 -10.991 1.00 32.23 N ATOM 1199 CA SER A 243 5.201 8.740 -12.185 1.00 21.04 C ATOM 1200 C SER A 243 3.757 8.194 -12.372 1.00 71.31 C ATOM 1201 O SER A 243 2.889 8.889 -12.907 1.00 1.13 O ATOM 1202 CB SER A 243 6.096 8.369 -13.353 1.00 41.03 C ATOM 1203 OG SER A 243 6.438 6.977 -13.304 1.00 52.33 O ATOM 0 H SER A 243 6.558 7.574 -11.156 1.00 32.23 H new ATOM 0 HA SER A 243 5.110 9.825 -12.124 1.00 21.04 H new ATOM 0 HB2 SER A 243 5.589 8.592 -14.292 1.00 41.03 H new ATOM 0 HB3 SER A 243 7.003 8.973 -13.329 1.00 41.03 H new ATOM 0 HG SER A 243 7.014 6.755 -14.065 1.00 52.33 H new ATOM 1209 N ASN A 244 3.516 6.959 -11.906 1.00 31.52 N ATOM 1210 CA ASN A 244 2.206 6.301 -12.004 1.00 22.54 C ATOM 1211 C ASN A 244 2.145 5.066 -11.090 1.00 23.01 C ATOM 1212 O ASN A 244 2.677 3.992 -11.408 1.00 12.42 O ATOM 1213 CB ASN A 244 1.811 5.956 -13.479 1.00 2.30 C ATOM 1214 CG ASN A 244 2.777 5.016 -14.212 1.00 0.01 C ATOM 1215 OD1 ASN A 244 2.626 3.791 -14.192 1.00 22.50 O ATOM 1216 ND2 ASN A 244 3.752 5.578 -14.886 1.00 60.53 N ATOM 0 H ASN A 244 4.227 6.388 -11.449 1.00 31.52 H new ATOM 0 HA ASN A 244 1.461 7.016 -11.655 1.00 22.54 H new ATOM 0 HB2 ASN A 244 0.820 5.502 -13.476 1.00 2.30 H new ATOM 0 HB3 ASN A 244 1.734 6.885 -14.044 1.00 2.30 H new ATOM 0 HD21 ASN A 244 4.409 5.000 -15.411 1.00 60.53 H new ATOM 0 HD22 ASN A 244 3.854 6.593 -14.885 1.00 60.53 H new ATOM 1222 N LEU A 245 1.542 5.238 -9.940 1.00 13.31 N ATOM 1223 CA LEU A 245 1.436 4.175 -8.952 1.00 21.50 C ATOM 1224 C LEU A 245 0.188 3.364 -9.095 1.00 12.52 C ATOM 1225 O LEU A 245 -0.863 3.814 -8.747 1.00 73.24 O ATOM 1226 CB LEU A 245 1.420 4.727 -7.532 1.00 32.54 C ATOM 1227 CG LEU A 245 2.701 4.865 -6.746 1.00 53.31 C ATOM 1228 CD1 LEU A 245 2.351 5.357 -5.384 1.00 1.01 C ATOM 1229 CD2 LEU A 245 3.424 3.549 -6.653 1.00 60.12 C ATOM 0 H LEU A 245 1.108 6.116 -9.655 1.00 13.31 H new ATOM 0 HA LEU A 245 2.312 3.551 -9.130 1.00 21.50 H new ATOM 0 HB2 LEU A 245 0.963 5.715 -7.577 1.00 32.54 H new ATOM 0 HB3 LEU A 245 0.752 4.093 -6.949 1.00 32.54 H new ATOM 0 HG LEU A 245 3.367 5.567 -7.248 1.00 53.31 H new ATOM 0 HD11 LEU A 245 3.260 5.466 -4.792 1.00 1.01 H new ATOM 0 HD12 LEU A 245 1.851 6.322 -5.463 1.00 1.01 H new ATOM 0 HD13 LEU A 245 1.686 4.643 -4.899 1.00 1.01 H new ATOM 0 HD21 LEU A 245 4.343 3.678 -6.081 1.00 60.12 H new ATOM 0 HD22 LEU A 245 2.787 2.818 -6.155 1.00 60.12 H new ATOM 0 HD23 LEU A 245 3.667 3.196 -7.655 1.00 60.12 H new ATOM 1237 N ILE A 246 0.286 2.191 -9.598 1.00 62.11 N ATOM 1238 CA ILE A 246 -0.844 1.315 -9.524 1.00 43.32 C ATOM 1239 C ILE A 246 -0.643 0.453 -8.310 1.00 13.45 C ATOM 1240 O ILE A 246 0.283 -0.323 -8.259 1.00 13.31 O ATOM 1241 CB ILE A 246 -0.951 0.429 -10.782 1.00 62.14 C ATOM 1242 CG1 ILE A 246 -1.217 1.303 -11.995 1.00 42.03 C ATOM 1243 CG2 ILE A 246 -2.084 -0.592 -10.619 1.00 4.23 C ATOM 1244 CD1 ILE A 246 -1.098 0.596 -13.326 1.00 33.15 C ATOM 0 H ILE A 246 1.113 1.811 -10.058 1.00 62.11 H new ATOM 0 HA ILE A 246 -1.765 1.894 -9.460 1.00 43.32 H new ATOM 0 HB ILE A 246 -0.013 -0.109 -10.919 1.00 62.14 H new ATOM 0 HG12 ILE A 246 -2.220 1.721 -11.911 1.00 42.03 H new ATOM 0 HG13 ILE A 246 -0.520 2.141 -11.981 1.00 42.03 H new ATOM 0 HG21 ILE A 246 -2.148 -1.210 -11.514 1.00 4.23 H new ATOM 0 HG22 ILE A 246 -1.882 -1.225 -9.755 1.00 4.23 H new ATOM 0 HG23 ILE A 246 -3.028 -0.067 -10.472 1.00 4.23 H new ATOM 0 HD11 ILE A 246 -1.305 1.300 -14.132 1.00 33.15 H new ATOM 0 HD12 ILE A 246 -0.088 0.202 -13.439 1.00 33.15 H new ATOM 0 HD13 ILE A 246 -1.815 -0.224 -13.368 1.00 33.15 H new ATOM 1251 N ILE A 247 -1.476 0.601 -7.340 1.00 53.44 N ATOM 1252 CA ILE A 247 -1.353 -0.191 -6.148 1.00 13.10 C ATOM 1253 C ILE A 247 -2.607 -0.972 -5.885 1.00 45.02 C ATOM 1254 O ILE A 247 -3.712 -0.420 -5.877 1.00 4.41 O ATOM 1255 CB ILE A 247 -0.948 0.670 -4.910 1.00 5.01 C ATOM 1256 CG1 ILE A 247 0.480 1.203 -5.088 1.00 23.42 C ATOM 1257 CG2 ILE A 247 -1.063 -0.127 -3.618 1.00 20.32 C ATOM 1258 CD1 ILE A 247 0.947 2.124 -3.984 1.00 40.42 C ATOM 0 H ILE A 247 -2.253 1.261 -7.340 1.00 53.44 H new ATOM 0 HA ILE A 247 -0.544 -0.902 -6.317 1.00 13.10 H new ATOM 0 HB ILE A 247 -1.637 1.512 -4.840 1.00 5.01 H new ATOM 0 HG12 ILE A 247 1.165 0.357 -5.152 1.00 23.42 H new ATOM 0 HG13 ILE A 247 0.540 1.735 -6.038 1.00 23.42 H new ATOM 0 HG21 ILE A 247 -0.774 0.502 -2.776 1.00 20.32 H new ATOM 0 HG22 ILE A 247 -2.093 -0.459 -3.486 1.00 20.32 H new ATOM 0 HG23 ILE A 247 -0.405 -0.995 -3.666 1.00 20.32 H new ATOM 0 HD11 ILE A 247 1.965 2.453 -4.191 1.00 40.42 H new ATOM 0 HD12 ILE A 247 0.289 2.992 -3.931 1.00 40.42 H new ATOM 0 HD13 ILE A 247 0.923 1.593 -3.033 1.00 40.42 H new ATOM 1265 N THR A 248 -2.430 -2.244 -5.714 1.00 44.30 N ATOM 1266 CA THR A 248 -3.494 -3.130 -5.408 1.00 72.41 C ATOM 1267 C THR A 248 -3.488 -3.398 -3.924 1.00 42.43 C ATOM 1268 O THR A 248 -2.509 -3.907 -3.399 1.00 51.21 O ATOM 1269 CB THR A 248 -3.313 -4.475 -6.138 1.00 14.43 C ATOM 1270 OG1 THR A 248 -3.205 -4.257 -7.558 1.00 2.21 O ATOM 1271 CG2 THR A 248 -4.489 -5.408 -5.864 1.00 55.01 C ATOM 0 H THR A 248 -1.520 -2.699 -5.786 1.00 44.30 H new ATOM 0 HA THR A 248 -4.431 -2.672 -5.725 1.00 72.41 H new ATOM 0 HB THR A 248 -2.400 -4.938 -5.765 1.00 14.43 H new ATOM 0 HG1 THR A 248 -3.089 -5.117 -8.013 1.00 2.21 H new ATOM 0 HG21 THR A 248 -4.336 -6.350 -6.391 1.00 55.01 H new ATOM 0 HG22 THR A 248 -4.561 -5.598 -4.793 1.00 55.01 H new ATOM 0 HG23 THR A 248 -5.411 -4.943 -6.212 1.00 55.01 H new ATOM 1277 N VAL A 249 -4.538 -3.035 -3.257 1.00 42.24 N ATOM 1278 CA VAL A 249 -4.682 -3.356 -1.864 1.00 63.11 C ATOM 1279 C VAL A 249 -5.906 -4.206 -1.683 1.00 32.25 C ATOM 1280 O VAL A 249 -6.769 -4.288 -2.585 1.00 4.43 O ATOM 1281 CB VAL A 249 -4.738 -2.111 -0.881 1.00 70.43 C ATOM 1282 CG1 VAL A 249 -3.442 -1.327 -0.891 1.00 5.41 C ATOM 1283 CG2 VAL A 249 -5.929 -1.195 -1.170 1.00 11.33 C ATOM 0 H VAL A 249 -5.317 -2.511 -3.655 1.00 42.24 H new ATOM 0 HA VAL A 249 -3.774 -3.890 -1.586 1.00 63.11 H new ATOM 0 HB VAL A 249 -4.876 -2.519 0.120 1.00 70.43 H new ATOM 0 HG11 VAL A 249 -3.522 -0.483 -0.205 1.00 5.41 H new ATOM 0 HG12 VAL A 249 -2.623 -1.974 -0.577 1.00 5.41 H new ATOM 0 HG13 VAL A 249 -3.247 -0.959 -1.898 1.00 5.41 H new ATOM 0 HG21 VAL A 249 -5.923 -0.359 -0.471 1.00 11.33 H new ATOM 0 HG22 VAL A 249 -5.858 -0.816 -2.190 1.00 11.33 H new ATOM 0 HG23 VAL A 249 -6.856 -1.757 -1.056 1.00 11.33 H new ATOM 1289 N LYS A 250 -5.962 -4.855 -0.586 1.00 21.24 N ATOM 1290 CA LYS A 250 -7.079 -5.643 -0.221 1.00 31.14 C ATOM 1291 C LYS A 250 -7.533 -5.237 1.156 1.00 34.23 C ATOM 1292 O LYS A 250 -6.710 -5.116 2.073 1.00 61.54 O ATOM 1293 CB LYS A 250 -6.758 -7.139 -0.236 1.00 71.50 C ATOM 1294 CG LYS A 250 -5.527 -7.505 0.568 1.00 23.40 C ATOM 1295 CD LYS A 250 -5.470 -8.983 0.899 1.00 44.23 C ATOM 1296 CE LYS A 250 -6.604 -9.365 1.834 1.00 10.52 C ATOM 1297 NZ LYS A 250 -6.546 -10.785 2.229 1.00 74.32 N ATOM 0 H LYS A 250 -5.212 -4.855 0.105 1.00 21.24 H new ATOM 0 HA LYS A 250 -7.868 -5.472 -0.953 1.00 31.14 H new ATOM 0 HB2 LYS A 250 -7.614 -7.689 0.155 1.00 71.50 H new ATOM 0 HB3 LYS A 250 -6.617 -7.461 -1.268 1.00 71.50 H new ATOM 0 HG2 LYS A 250 -4.635 -7.227 0.008 1.00 23.40 H new ATOM 0 HG3 LYS A 250 -5.516 -6.928 1.493 1.00 23.40 H new ATOM 0 HD2 LYS A 250 -5.534 -9.569 -0.018 1.00 44.23 H new ATOM 0 HD3 LYS A 250 -4.513 -9.221 1.363 1.00 44.23 H new ATOM 0 HE2 LYS A 250 -6.564 -8.740 2.726 1.00 10.52 H new ATOM 0 HE3 LYS A 250 -7.558 -9.164 1.347 1.00 10.52 H new ATOM 0 HZ1 LYS A 250 -7.339 -11.001 2.867 1.00 74.32 H new ATOM 0 HZ2 LYS A 250 -6.611 -11.384 1.381 1.00 74.32 H new ATOM 0 HZ3 LYS A 250 -5.647 -10.973 2.718 1.00 74.32 H new ATOM 1311 N PRO A 251 -8.814 -4.994 1.318 1.00 43.43 N ATOM 1312 CA PRO A 251 -9.385 -4.638 2.597 1.00 32.02 C ATOM 1313 C PRO A 251 -9.223 -5.740 3.630 1.00 64.52 C ATOM 1314 O PRO A 251 -9.162 -6.944 3.285 1.00 74.41 O ATOM 1315 CB PRO A 251 -10.858 -4.396 2.294 1.00 22.12 C ATOM 1316 CG PRO A 251 -11.102 -5.118 1.021 1.00 75.01 C ATOM 1317 CD PRO A 251 -9.831 -5.010 0.259 1.00 12.13 C ATOM 0 HA PRO A 251 -8.888 -3.769 3.029 1.00 32.02 H new ATOM 0 HB2 PRO A 251 -11.495 -4.776 3.093 1.00 22.12 H new ATOM 0 HB3 PRO A 251 -11.072 -3.332 2.194 1.00 22.12 H new ATOM 0 HG2 PRO A 251 -11.364 -6.160 1.204 1.00 75.01 H new ATOM 0 HG3 PRO A 251 -11.930 -4.674 0.469 1.00 75.01 H new ATOM 0 HD2 PRO A 251 -9.694 -5.852 -0.420 1.00 12.13 H new ATOM 0 HD3 PRO A 251 -9.798 -4.104 -0.346 1.00 12.13 H new