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 230 THR OG1 : rot 180:sc= 0.362 USER MOD Set 1.2: A 233 GLN : amide:sc= -0.0948 K(o=0.27,f=1.6) USER MOD Set 2.1: A 222 ASN : amide:sc= -0.563 K(o=-1.8,f=-0.83) USER MOD Set 2.2: A 241 ASN : amide:sc= -1.21 K(o=-1.8,f=-4.8!) USER MOD Single : A 158 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-3!) USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 181 SER OG : rot 95:sc= 1.29 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -0.866 K(o=-0.87,f=0) USER MOD Single : A 198 SER OG : rot -139:sc= 0.266 USER MOD Single : A 208 SER OG : rot 70:sc= 0.727 USER MOD Single : A 209 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 215 ASN : amide:sc= -0.869 K(o=-0.87,f=-0.0016) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 237 MET CE :methyl -127:sc= -0.33 (180deg=-2.87) USER MOD Single : A 238 MET CE :methyl -133:sc= -0.304 (180deg=-0.956) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= -0.0474 X(o=-0.047,f=-0.2) USER MOD Single : A 248 THR OG1 : rot -170:sc= -0.37 USER MOD Single : A 250 LYS NZ :NH3+ -152:sc= 0.266 (180deg=-0.891!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 158 -9.422 -7.832 -2.923 1.00 13.43 N ATOM 29 CA HIS A 158 -8.560 -6.669 -3.103 1.00 40.10 C ATOM 30 C HIS A 158 -8.870 -5.909 -4.378 1.00 21.12 C ATOM 31 O HIS A 158 -9.363 -6.487 -5.337 1.00 61.44 O ATOM 32 CB HIS A 158 -7.053 -6.995 -2.969 1.00 70.41 C ATOM 33 CG HIS A 158 -6.506 -8.110 -3.784 1.00 51.14 C ATOM 34 ND1 HIS A 158 -6.032 -9.274 -3.233 1.00 30.30 N ATOM 35 CD2 HIS A 158 -6.245 -8.184 -5.075 1.00 65.01 C ATOM 36 CE1 HIS A 158 -5.488 -9.998 -4.167 1.00 23.23 C ATOM 37 NE2 HIS A 158 -5.614 -9.363 -5.303 1.00 31.51 N ATOM 0 HA HIS A 158 -8.795 -6.002 -2.273 1.00 40.10 H new ATOM 0 HB2 HIS A 158 -6.493 -6.094 -3.218 1.00 70.41 H new ATOM 0 HB3 HIS A 158 -6.851 -7.217 -1.921 1.00 70.41 H new ATOM 0 HD2 HIS A 158 -6.490 -7.439 -5.818 1.00 65.01 H new ATOM 0 HE1 HIS A 158 -5.014 -10.958 -4.028 1.00 23.23 H new ATOM 0 HE2 HIS A 158 -5.291 -9.699 -6.211 1.00 31.51 H new ATOM 46 N ARG A 159 -8.571 -4.626 -4.387 1.00 34.33 N ATOM 47 CA ARG A 159 -8.829 -3.773 -5.543 1.00 5.43 C ATOM 48 C ARG A 159 -7.553 -3.061 -5.973 1.00 72.21 C ATOM 49 O ARG A 159 -6.720 -2.690 -5.128 1.00 52.21 O ATOM 50 CB ARG A 159 -9.918 -2.743 -5.223 1.00 5.34 C ATOM 51 CG ARG A 159 -10.277 -1.820 -6.385 1.00 75.14 C ATOM 52 CD ARG A 159 -11.347 -0.809 -5.993 1.00 54.23 C ATOM 53 NE ARG A 159 -12.596 -1.443 -5.531 1.00 73.43 N ATOM 54 CZ ARG A 159 -13.716 -0.774 -5.184 1.00 25.23 C ATOM 55 NH1 ARG A 159 -13.806 0.535 -5.383 1.00 63.11 N ATOM 56 NH2 ARG A 159 -14.757 -1.432 -4.691 1.00 13.33 N ATOM 0 H ARG A 159 -8.143 -4.140 -3.598 1.00 34.33 H new ATOM 0 HA ARG A 159 -9.175 -4.405 -6.361 1.00 5.43 H new ATOM 0 HB2 ARG A 159 -10.817 -3.270 -4.903 1.00 5.34 H new ATOM 0 HB3 ARG A 159 -9.589 -2.135 -4.381 1.00 5.34 H new ATOM 0 HG2 ARG A 159 -9.384 -1.293 -6.720 1.00 75.14 H new ATOM 0 HG3 ARG A 159 -10.630 -2.416 -7.227 1.00 75.14 H new ATOM 0 HD2 ARG A 159 -10.959 -0.165 -5.204 1.00 54.23 H new ATOM 0 HD3 ARG A 159 -11.565 -0.169 -6.848 1.00 54.23 H new ATOM 0 HE ARG A 159 -12.615 -2.461 -5.469 1.00 73.43 H new ATOM 0 HH11 ARG A 159 -13.026 1.042 -5.801 1.00 63.11 H new ATOM 0 HH12 ARG A 159 -14.655 1.034 -5.118 1.00 63.11 H new ATOM 0 HH21 ARG A 159 -14.712 -2.444 -4.574 1.00 13.33 H new ATOM 0 HH22 ARG A 159 -15.603 -0.926 -4.429 1.00 13.33 H new ATOM 68 N ARG A 160 -7.390 -2.894 -7.269 1.00 53.14 N ATOM 69 CA ARG A 160 -6.228 -2.212 -7.826 1.00 24.41 C ATOM 70 C ARG A 160 -6.571 -0.791 -8.292 1.00 11.34 C ATOM 71 O ARG A 160 -7.397 -0.585 -9.185 1.00 72.44 O ATOM 72 CB ARG A 160 -5.563 -3.035 -8.951 1.00 10.11 C ATOM 73 CG ARG A 160 -6.451 -3.350 -10.138 1.00 10.31 C ATOM 74 CD ARG A 160 -5.720 -4.195 -11.163 1.00 10.42 C ATOM 75 NE ARG A 160 -6.562 -4.479 -12.327 1.00 54.11 N ATOM 76 CZ ARG A 160 -6.314 -5.420 -13.243 1.00 15.11 C ATOM 77 NH1 ARG A 160 -5.236 -6.183 -13.139 1.00 41.04 N ATOM 78 NH2 ARG A 160 -7.152 -5.592 -14.262 1.00 53.40 N ATOM 0 H ARG A 160 -8.054 -3.224 -7.969 1.00 53.14 H new ATOM 0 HA ARG A 160 -5.498 -2.120 -7.022 1.00 24.41 H new ATOM 0 HB2 ARG A 160 -4.688 -2.491 -9.307 1.00 10.11 H new ATOM 0 HB3 ARG A 160 -5.204 -3.973 -8.528 1.00 10.11 H new ATOM 0 HG2 ARG A 160 -7.343 -3.877 -9.798 1.00 10.31 H new ATOM 0 HG3 ARG A 160 -6.786 -2.422 -10.601 1.00 10.31 H new ATOM 0 HD2 ARG A 160 -4.816 -3.677 -11.485 1.00 10.42 H new ATOM 0 HD3 ARG A 160 -5.404 -5.132 -10.704 1.00 10.42 H new ATOM 0 HE ARG A 160 -7.403 -3.915 -12.448 1.00 54.11 H new ATOM 0 HH11 ARG A 160 -4.593 -6.053 -12.358 1.00 41.04 H new ATOM 0 HH12 ARG A 160 -5.049 -6.900 -13.840 1.00 41.04 H new ATOM 0 HH21 ARG A 160 -7.983 -5.006 -14.344 1.00 53.40 H new ATOM 0 HH22 ARG A 160 -6.964 -6.310 -14.962 1.00 53.40 H new ATOM 90 N VAL A 161 -5.947 0.171 -7.668 1.00 35.55 N ATOM 91 CA VAL A 161 -6.142 1.581 -7.977 1.00 73.23 C ATOM 92 C VAL A 161 -4.878 2.220 -8.534 1.00 63.11 C ATOM 93 O VAL A 161 -3.763 1.912 -8.093 1.00 63.34 O ATOM 94 CB VAL A 161 -6.654 2.395 -6.761 1.00 44.20 C ATOM 95 CG1 VAL A 161 -8.031 1.927 -6.374 1.00 35.12 C ATOM 96 CG2 VAL A 161 -5.703 2.277 -5.572 1.00 62.24 C ATOM 0 H VAL A 161 -5.276 0.006 -6.917 1.00 35.55 H new ATOM 0 HA VAL A 161 -6.915 1.609 -8.745 1.00 73.23 H new ATOM 0 HB VAL A 161 -6.698 3.445 -7.050 1.00 44.20 H new ATOM 0 HG11 VAL A 161 -8.384 2.503 -5.519 1.00 35.12 H new ATOM 0 HG12 VAL A 161 -8.712 2.068 -7.213 1.00 35.12 H new ATOM 0 HG13 VAL A 161 -7.995 0.870 -6.109 1.00 35.12 H new ATOM 0 HG21 VAL A 161 -6.091 2.859 -4.736 1.00 62.24 H new ATOM 0 HG22 VAL A 161 -5.618 1.231 -5.277 1.00 62.24 H new ATOM 0 HG23 VAL A 161 -4.720 2.656 -5.853 1.00 62.24 H new ATOM 102 N ARG A 162 -5.047 3.066 -9.521 1.00 74.51 N ATOM 103 CA ARG A 162 -3.930 3.754 -10.126 1.00 13.10 C ATOM 104 C ARG A 162 -3.884 5.190 -9.606 1.00 43.21 C ATOM 105 O ARG A 162 -4.842 5.943 -9.749 1.00 13.21 O ATOM 106 CB ARG A 162 -4.041 3.730 -11.641 1.00 72.11 C ATOM 107 CG ARG A 162 -2.818 4.280 -12.341 1.00 51.24 C ATOM 108 CD ARG A 162 -2.987 4.256 -13.847 1.00 1.51 C ATOM 109 NE ARG A 162 -3.229 2.899 -14.355 1.00 21.34 N ATOM 110 CZ ARG A 162 -2.959 2.489 -15.592 1.00 41.41 C ATOM 111 NH1 ARG A 162 -2.447 3.337 -16.488 1.00 34.33 N ATOM 112 NH2 ARG A 162 -3.210 1.231 -15.938 1.00 51.00 N ATOM 0 H ARG A 162 -5.954 3.297 -9.926 1.00 74.51 H new ATOM 0 HA ARG A 162 -3.004 3.246 -9.856 1.00 13.10 H new ATOM 0 HB2 ARG A 162 -4.208 2.704 -11.970 1.00 72.11 H new ATOM 0 HB3 ARG A 162 -4.914 4.308 -11.943 1.00 72.11 H new ATOM 0 HG2 ARG A 162 -2.636 5.302 -12.010 1.00 51.24 H new ATOM 0 HG3 ARG A 162 -1.942 3.694 -12.062 1.00 51.24 H new ATOM 0 HD2 ARG A 162 -3.819 4.901 -14.128 1.00 1.51 H new ATOM 0 HD3 ARG A 162 -2.093 4.665 -14.318 1.00 1.51 H new ATOM 0 HE ARG A 162 -3.635 2.220 -13.711 1.00 21.34 H new ATOM 0 HH11 ARG A 162 -2.261 4.305 -16.226 1.00 34.33 H new ATOM 0 HH12 ARG A 162 -2.242 3.017 -17.434 1.00 34.33 H new ATOM 0 HH21 ARG A 162 -3.608 0.584 -15.257 1.00 51.00 H new ATOM 0 HH22 ARG A 162 -3.005 0.912 -16.885 1.00 51.00 H new ATOM 124 N LEU A 163 -2.785 5.541 -9.001 1.00 11.13 N ATOM 125 CA LEU A 163 -2.612 6.814 -8.348 1.00 44.12 C ATOM 126 C LEU A 163 -1.772 7.765 -9.186 1.00 4.44 C ATOM 127 O LEU A 163 -0.808 7.342 -9.842 1.00 70.45 O ATOM 128 CB LEU A 163 -1.923 6.621 -6.987 1.00 22.22 C ATOM 129 CG LEU A 163 -2.506 5.541 -6.085 1.00 20.13 C ATOM 130 CD1 LEU A 163 -1.804 5.555 -4.774 1.00 11.14 C ATOM 131 CD2 LEU A 163 -4.011 5.687 -5.907 1.00 75.13 C ATOM 0 H LEU A 163 -1.964 4.939 -8.945 1.00 11.13 H new ATOM 0 HA LEU A 163 -3.604 7.246 -8.214 1.00 44.12 H new ATOM 0 HB2 LEU A 163 -0.873 6.389 -7.165 1.00 22.22 H new ATOM 0 HB3 LEU A 163 -1.954 7.569 -6.450 1.00 22.22 H new ATOM 0 HG LEU A 163 -2.348 4.576 -6.566 1.00 20.13 H new ATOM 0 HD11 LEU A 163 -2.222 4.782 -4.129 1.00 11.14 H new ATOM 0 HD12 LEU A 163 -0.742 5.364 -4.928 1.00 11.14 H new ATOM 0 HD13 LEU A 163 -1.933 6.529 -4.303 1.00 11.14 H new ATOM 0 HD21 LEU A 163 -4.379 4.894 -5.256 1.00 75.13 H new ATOM 0 HD22 LEU A 163 -4.232 6.656 -5.459 1.00 75.13 H new ATOM 0 HD23 LEU A 163 -4.501 5.616 -6.878 1.00 75.13 H new ATOM 139 N LEU A 164 -2.193 9.022 -9.190 1.00 12.42 N ATOM 140 CA LEU A 164 -1.482 10.158 -9.755 1.00 73.41 C ATOM 141 C LEU A 164 -1.738 10.313 -11.237 1.00 13.44 C ATOM 142 O LEU A 164 -1.089 9.683 -12.081 1.00 1.12 O ATOM 143 CB LEU A 164 0.044 10.137 -9.390 1.00 73.24 C ATOM 144 CG LEU A 164 0.861 11.442 -9.555 1.00 14.24 C ATOM 145 CD1 LEU A 164 2.174 11.304 -8.813 1.00 51.13 C ATOM 146 CD2 LEU A 164 1.145 11.757 -11.018 1.00 50.11 C ATOM 0 H LEU A 164 -3.087 9.290 -8.777 1.00 12.42 H new ATOM 0 HA LEU A 164 -1.890 11.055 -9.289 1.00 73.41 H new ATOM 0 HB2 LEU A 164 0.132 9.820 -8.351 1.00 73.24 H new ATOM 0 HB3 LEU A 164 0.520 9.369 -9.999 1.00 73.24 H new ATOM 0 HG LEU A 164 0.269 12.260 -9.145 1.00 14.24 H new ATOM 0 HD11 LEU A 164 2.754 12.220 -8.926 1.00 51.13 H new ATOM 0 HD12 LEU A 164 1.977 11.127 -7.756 1.00 51.13 H new ATOM 0 HD13 LEU A 164 2.737 10.466 -9.223 1.00 51.13 H new ATOM 0 HD21 LEU A 164 1.720 12.680 -11.086 1.00 50.11 H new ATOM 0 HD22 LEU A 164 1.715 10.941 -11.462 1.00 50.11 H new ATOM 0 HD23 LEU A 164 0.203 11.876 -11.554 1.00 50.11 H new ATOM 260 N LEU A 172 2.268 11.083 -3.342 1.00 1.04 N ATOM 261 CA LEU A 172 0.909 10.550 -3.523 1.00 14.11 C ATOM 262 C LEU A 172 -0.011 10.912 -2.378 1.00 3.24 C ATOM 263 O LEU A 172 -1.200 11.165 -2.583 1.00 52.12 O ATOM 264 CB LEU A 172 0.928 9.017 -3.701 1.00 32.01 C ATOM 265 CG LEU A 172 1.637 8.423 -4.941 1.00 74.01 C ATOM 266 CD1 LEU A 172 1.022 8.938 -6.205 1.00 64.44 C ATOM 267 CD2 LEU A 172 3.149 8.648 -4.929 1.00 53.20 C ATOM 0 HA LEU A 172 0.520 11.014 -4.429 1.00 14.11 H new ATOM 0 HB2 LEU A 172 1.395 8.587 -2.815 1.00 32.01 H new ATOM 0 HB3 LEU A 172 -0.106 8.673 -3.715 1.00 32.01 H new ATOM 0 HG LEU A 172 1.489 7.344 -4.898 1.00 74.01 H new ATOM 0 HD11 LEU A 172 1.538 8.506 -7.063 1.00 64.44 H new ATOM 0 HD12 LEU A 172 -0.031 8.660 -6.237 1.00 64.44 H new ATOM 0 HD13 LEU A 172 1.111 10.024 -6.237 1.00 64.44 H new ATOM 0 HD21 LEU A 172 3.589 8.209 -5.824 1.00 53.20 H new ATOM 0 HD22 LEU A 172 3.358 9.718 -4.909 1.00 53.20 H new ATOM 0 HD23 LEU A 172 3.580 8.178 -4.045 1.00 53.20 H new ATOM 275 N GLY A 173 0.523 10.926 -1.197 1.00 61.04 N ATOM 276 CA GLY A 173 -0.257 11.292 -0.063 1.00 12.43 C ATOM 277 C GLY A 173 -0.663 10.105 0.764 1.00 53.52 C ATOM 278 O GLY A 173 -1.772 10.067 1.304 1.00 63.41 O ATOM 0 H GLY A 173 1.494 10.688 -0.996 1.00 61.04 H new ATOM 0 HA2 GLY A 173 0.312 11.985 0.557 1.00 12.43 H new ATOM 0 HA3 GLY A 173 -1.150 11.821 -0.396 1.00 12.43 H new ATOM 282 N PHE A 174 0.206 9.135 0.863 1.00 53.45 N ATOM 283 CA PHE A 174 -0.041 8.009 1.717 1.00 14.24 C ATOM 284 C PHE A 174 1.273 7.521 2.262 1.00 2.32 C ATOM 285 O PHE A 174 2.324 7.712 1.644 1.00 74.42 O ATOM 286 CB PHE A 174 -0.796 6.846 0.991 1.00 74.43 C ATOM 287 CG PHE A 174 -0.031 6.144 -0.125 1.00 23.24 C ATOM 288 CD1 PHE A 174 0.853 5.111 0.166 1.00 53.12 C ATOM 289 CD2 PHE A 174 -0.199 6.510 -1.448 1.00 61.02 C ATOM 290 CE1 PHE A 174 1.551 4.469 -0.835 1.00 53.31 C ATOM 291 CE2 PHE A 174 0.503 5.864 -2.457 1.00 3.42 C ATOM 292 CZ PHE A 174 1.374 4.846 -2.144 1.00 73.21 C ATOM 0 H PHE A 174 1.093 9.104 0.361 1.00 53.45 H new ATOM 0 HA PHE A 174 -0.695 8.337 2.525 1.00 14.24 H new ATOM 0 HB2 PHE A 174 -1.076 6.101 1.736 1.00 74.43 H new ATOM 0 HB3 PHE A 174 -1.721 7.245 0.575 1.00 74.43 H new ATOM 0 HD1 PHE A 174 0.995 4.807 1.192 1.00 53.12 H new ATOM 0 HD2 PHE A 174 -0.883 7.307 -1.699 1.00 61.02 H new ATOM 0 HE1 PHE A 174 2.236 3.671 -0.590 1.00 53.31 H new ATOM 0 HE2 PHE A 174 0.365 6.160 -3.486 1.00 3.42 H new ATOM 0 HZ PHE A 174 1.919 4.343 -2.929 1.00 73.21 H new ATOM 302 N TYR A 175 1.221 6.908 3.386 1.00 50.45 N ATOM 303 CA TYR A 175 2.377 6.340 3.998 1.00 44.13 C ATOM 304 C TYR A 175 2.113 4.896 4.238 1.00 42.04 C ATOM 305 O TYR A 175 0.956 4.488 4.355 1.00 33.42 O ATOM 306 CB TYR A 175 2.732 7.057 5.303 1.00 35.40 C ATOM 307 CG TYR A 175 3.162 8.499 5.122 1.00 44.45 C ATOM 308 CD1 TYR A 175 2.232 9.522 5.050 1.00 30.24 C ATOM 309 CD2 TYR A 175 4.508 8.831 5.018 1.00 13.51 C ATOM 310 CE1 TYR A 175 2.626 10.826 4.881 1.00 62.31 C ATOM 311 CE2 TYR A 175 4.907 10.138 4.849 1.00 43.53 C ATOM 312 CZ TYR A 175 3.960 11.131 4.784 1.00 75.03 C ATOM 313 OH TYR A 175 4.349 12.443 4.605 1.00 63.52 O ATOM 0 H TYR A 175 0.362 6.781 3.921 1.00 50.45 H new ATOM 0 HA TYR A 175 3.234 6.458 3.335 1.00 44.13 H new ATOM 0 HB2 TYR A 175 1.868 7.028 5.967 1.00 35.40 H new ATOM 0 HB3 TYR A 175 3.534 6.510 5.799 1.00 35.40 H new ATOM 0 HD1 TYR A 175 1.180 9.290 5.128 1.00 30.24 H new ATOM 0 HD2 TYR A 175 5.253 8.051 5.071 1.00 13.51 H new ATOM 0 HE1 TYR A 175 1.887 11.611 4.824 1.00 62.31 H new ATOM 0 HE2 TYR A 175 5.956 10.381 4.768 1.00 43.53 H new ATOM 0 HH TYR A 175 5.327 12.491 4.557 1.00 63.52 H new ATOM 323 N ILE A 176 3.145 4.126 4.316 1.00 65.41 N ATOM 324 CA ILE A 176 3.018 2.704 4.463 1.00 71.31 C ATOM 325 C ILE A 176 3.782 2.204 5.675 1.00 74.25 C ATOM 326 O ILE A 176 4.543 2.953 6.300 1.00 31.30 O ATOM 327 CB ILE A 176 3.480 1.960 3.197 1.00 10.41 C ATOM 328 CG1 ILE A 176 4.915 2.357 2.843 1.00 45.13 C ATOM 329 CG2 ILE A 176 2.522 2.219 2.034 1.00 63.11 C ATOM 330 CD1 ILE A 176 5.462 1.657 1.644 1.00 15.22 C ATOM 0 H ILE A 176 4.108 4.461 4.280 1.00 65.41 H new ATOM 0 HA ILE A 176 1.959 2.493 4.613 1.00 71.31 H new ATOM 0 HB ILE A 176 3.467 0.888 3.396 1.00 10.41 H new ATOM 0 HG12 ILE A 176 4.951 3.433 2.670 1.00 45.13 H new ATOM 0 HG13 ILE A 176 5.559 2.149 3.697 1.00 45.13 H new ATOM 0 HG21 ILE A 176 2.869 1.683 1.151 1.00 63.11 H new ATOM 0 HG22 ILE A 176 1.524 1.871 2.301 1.00 63.11 H new ATOM 0 HG23 ILE A 176 2.489 3.287 1.821 1.00 63.11 H new ATOM 0 HD11 ILE A 176 6.482 1.994 1.460 1.00 15.22 H new ATOM 0 HD12 ILE A 176 5.461 0.581 1.819 1.00 15.22 H new ATOM 0 HD13 ILE A 176 4.843 1.884 0.776 1.00 15.22 H new ATOM 337 N ARG A 177 3.558 0.971 6.015 1.00 42.41 N ATOM 338 CA ARG A 177 4.187 0.331 7.158 1.00 63.10 C ATOM 339 C ARG A 177 4.377 -1.144 6.911 1.00 2.34 C ATOM 340 O ARG A 177 3.638 -1.745 6.135 1.00 22.14 O ATOM 341 CB ARG A 177 3.365 0.498 8.448 1.00 10.23 C ATOM 342 CG ARG A 177 1.893 0.106 8.315 1.00 53.12 C ATOM 343 CD ARG A 177 1.287 -0.310 9.638 1.00 72.20 C ATOM 344 NE ARG A 177 1.395 0.720 10.679 1.00 74.10 N ATOM 345 CZ ARG A 177 0.539 0.854 11.701 1.00 32.00 C ATOM 346 NH1 ARG A 177 -0.601 0.155 11.728 1.00 31.22 N ATOM 347 NH2 ARG A 177 0.807 1.713 12.671 1.00 23.44 N ATOM 0 H ARG A 177 2.922 0.359 5.503 1.00 42.41 H new ATOM 0 HA ARG A 177 5.151 0.823 7.286 1.00 63.10 H new ATOM 0 HB2 ARG A 177 3.819 -0.105 9.234 1.00 10.23 H new ATOM 0 HB3 ARG A 177 3.424 1.538 8.770 1.00 10.23 H new ATOM 0 HG2 ARG A 177 1.331 0.947 7.909 1.00 53.12 H new ATOM 0 HG3 ARG A 177 1.801 -0.713 7.602 1.00 53.12 H new ATOM 0 HD2 ARG A 177 0.236 -0.554 9.487 1.00 72.20 H new ATOM 0 HD3 ARG A 177 1.779 -1.219 9.984 1.00 72.20 H new ATOM 0 HE ARG A 177 2.173 1.377 10.620 1.00 74.10 H new ATOM 0 HH11 ARG A 177 -0.824 -0.486 10.967 1.00 31.22 H new ATOM 0 HH12 ARG A 177 -1.247 0.263 12.510 1.00 31.22 H new ATOM 0 HH21 ARG A 177 1.662 2.269 12.638 1.00 23.44 H new ATOM 0 HH22 ARG A 177 0.159 1.819 13.452 1.00 23.44 H new ATOM 359 N ASP A 178 5.349 -1.711 7.572 1.00 24.31 N ATOM 360 CA ASP A 178 5.619 -3.136 7.508 1.00 52.12 C ATOM 361 C ASP A 178 5.114 -3.787 8.761 1.00 1.14 C ATOM 362 O ASP A 178 5.236 -3.228 9.858 1.00 52.25 O ATOM 363 CB ASP A 178 7.122 -3.402 7.361 1.00 30.23 C ATOM 364 CG ASP A 178 7.501 -4.875 7.454 1.00 11.43 C ATOM 365 OD1 ASP A 178 7.369 -5.599 6.471 1.00 25.20 O ATOM 366 OD2 ASP A 178 7.980 -5.314 8.531 1.00 62.04 O ATOM 0 H ASP A 178 5.988 -1.198 8.179 1.00 24.31 H new ATOM 0 HA ASP A 178 5.111 -3.551 6.638 1.00 52.12 H new ATOM 0 HB2 ASP A 178 7.458 -3.011 6.401 1.00 30.23 H new ATOM 0 HB3 ASP A 178 7.656 -2.850 8.135 1.00 30.23 H new ATOM 371 N GLY A 179 4.525 -4.911 8.608 1.00 61.11 N ATOM 372 CA GLY A 179 4.047 -5.658 9.712 1.00 12.31 C ATOM 373 C GLY A 179 3.995 -7.092 9.344 1.00 14.21 C ATOM 374 O GLY A 179 4.555 -7.489 8.316 1.00 73.31 O ATOM 0 H GLY A 179 4.358 -5.347 7.701 1.00 61.11 H new ATOM 0 HA2 GLY A 179 4.700 -5.515 10.573 1.00 12.31 H new ATOM 0 HA3 GLY A 179 3.056 -5.308 10.001 1.00 12.31 H new ATOM 378 N THR A 180 3.374 -7.873 10.139 1.00 70.00 N ATOM 379 CA THR A 180 3.212 -9.244 9.825 1.00 54.12 C ATOM 380 C THR A 180 1.839 -9.533 9.295 1.00 1.10 C ATOM 381 O THR A 180 0.836 -9.211 9.923 1.00 43.42 O ATOM 382 CB THR A 180 3.497 -10.149 11.005 1.00 4.42 C ATOM 383 OG1 THR A 180 3.113 -9.515 12.242 1.00 73.12 O ATOM 384 CG2 THR A 180 4.929 -10.651 11.046 1.00 22.05 C ATOM 0 H THR A 180 2.962 -7.585 11.026 1.00 70.00 H new ATOM 0 HA THR A 180 3.947 -9.457 9.049 1.00 54.12 H new ATOM 0 HB THR A 180 2.881 -11.039 10.872 1.00 4.42 H new ATOM 0 HG1 THR A 180 3.304 -10.117 12.991 1.00 73.12 H new ATOM 0 HG21 THR A 180 5.065 -11.294 11.916 1.00 22.05 H new ATOM 0 HG22 THR A 180 5.142 -11.218 10.140 1.00 22.05 H new ATOM 0 HG23 THR A 180 5.610 -9.803 11.112 1.00 22.05 H new ATOM 390 N SER A 181 1.803 -10.122 8.159 1.00 53.12 N ATOM 391 CA SER A 181 0.593 -10.529 7.561 1.00 24.40 C ATOM 392 C SER A 181 0.558 -12.037 7.603 1.00 33.13 C ATOM 393 O SER A 181 1.495 -12.684 7.158 1.00 11.12 O ATOM 394 CB SER A 181 0.551 -10.038 6.118 1.00 3.43 C ATOM 395 OG SER A 181 -0.668 -10.381 5.498 1.00 44.01 O ATOM 0 H SER A 181 2.634 -10.339 7.608 1.00 53.12 H new ATOM 0 HA SER A 181 -0.267 -10.115 8.087 1.00 24.40 H new ATOM 0 HB2 SER A 181 0.682 -8.956 6.095 1.00 3.43 H new ATOM 0 HB3 SER A 181 1.381 -10.471 5.559 1.00 3.43 H new ATOM 0 HG SER A 181 -1.296 -9.633 5.575 1.00 44.01 H new ATOM 517 N LYS A 191 2.934 -16.268 8.490 1.00 71.34 N ATOM 518 CA LYS A 191 3.063 -14.884 8.803 1.00 50.11 C ATOM 519 C LYS A 191 4.301 -14.360 8.104 1.00 31.34 C ATOM 520 O LYS A 191 5.413 -14.856 8.324 1.00 14.31 O ATOM 521 CB LYS A 191 3.159 -14.714 10.312 1.00 64.20 C ATOM 522 CG LYS A 191 2.852 -13.353 10.814 1.00 63.43 C ATOM 523 CD LYS A 191 2.850 -13.312 12.347 1.00 33.13 C ATOM 524 CE LYS A 191 1.757 -14.203 12.928 1.00 41.41 C ATOM 525 NZ LYS A 191 1.700 -14.155 14.404 1.00 11.42 N ATOM 0 HA LYS A 191 2.195 -14.319 8.462 1.00 50.11 H new ATOM 0 HB2 LYS A 191 2.478 -15.421 10.785 1.00 64.20 H new ATOM 0 HB3 LYS A 191 4.167 -14.982 10.629 1.00 64.20 H new ATOM 0 HG2 LYS A 191 3.588 -12.647 10.430 1.00 63.43 H new ATOM 0 HG3 LYS A 191 1.879 -13.035 10.438 1.00 63.43 H new ATOM 0 HD2 LYS A 191 3.821 -13.634 12.722 1.00 33.13 H new ATOM 0 HD3 LYS A 191 2.702 -12.286 12.685 1.00 33.13 H new ATOM 0 HE2 LYS A 191 0.793 -13.898 12.522 1.00 41.41 H new ATOM 0 HE3 LYS A 191 1.926 -15.232 12.609 1.00 41.41 H new ATOM 0 HZ1 LYS A 191 0.940 -14.779 14.743 1.00 11.42 H new ATOM 0 HZ2 LYS A 191 2.609 -14.472 14.797 1.00 11.42 H new ATOM 0 HZ3 LYS A 191 1.511 -13.180 14.713 1.00 11.42 H new ATOM 539 N GLN A 192 4.106 -13.383 7.294 1.00 65.45 N ATOM 540 CA GLN A 192 5.139 -12.846 6.425 1.00 43.24 C ATOM 541 C GLN A 192 5.176 -11.344 6.562 1.00 13.31 C ATOM 542 O GLN A 192 4.240 -10.763 7.127 1.00 61.45 O ATOM 543 CB GLN A 192 4.816 -13.206 4.952 1.00 62.52 C ATOM 544 CG GLN A 192 3.454 -12.686 4.471 1.00 41.53 C ATOM 545 CD GLN A 192 3.182 -12.934 2.991 1.00 34.12 C ATOM 546 OE1 GLN A 192 2.036 -13.124 2.587 1.00 72.43 O ATOM 547 NE2 GLN A 192 4.210 -12.884 2.167 1.00 41.41 N ATOM 0 H GLN A 192 3.207 -12.909 7.200 1.00 65.45 H new ATOM 0 HA GLN A 192 6.103 -13.270 6.706 1.00 43.24 H new ATOM 0 HB2 GLN A 192 5.597 -12.800 4.309 1.00 62.52 H new ATOM 0 HB3 GLN A 192 4.841 -14.290 4.839 1.00 62.52 H new ATOM 0 HG2 GLN A 192 2.668 -13.160 5.059 1.00 41.53 H new ATOM 0 HG3 GLN A 192 3.396 -11.615 4.666 1.00 41.53 H new ATOM 0 HE21 GLN A 192 5.149 -12.725 2.532 1.00 41.41 H new ATOM 0 HE22 GLN A 192 4.066 -13.004 1.164 1.00 41.41 H new ATOM 555 N PRO A 193 6.257 -10.682 6.101 1.00 53.14 N ATOM 556 CA PRO A 193 6.281 -9.236 6.046 1.00 31.54 C ATOM 557 C PRO A 193 5.176 -8.752 5.108 1.00 22.24 C ATOM 558 O PRO A 193 5.009 -9.275 3.988 1.00 3.42 O ATOM 559 CB PRO A 193 7.669 -8.904 5.461 1.00 2.51 C ATOM 560 CG PRO A 193 8.141 -10.172 4.835 1.00 54.20 C ATOM 561 CD PRO A 193 7.527 -11.277 5.638 1.00 3.50 C ATOM 0 HA PRO A 193 6.119 -8.762 7.014 1.00 31.54 H new ATOM 0 HB2 PRO A 193 7.605 -8.102 4.726 1.00 2.51 H new ATOM 0 HB3 PRO A 193 8.355 -8.570 6.239 1.00 2.51 H new ATOM 0 HG2 PRO A 193 7.834 -10.230 3.791 1.00 54.20 H new ATOM 0 HG3 PRO A 193 9.229 -10.235 4.851 1.00 54.20 H new ATOM 0 HD2 PRO A 193 7.359 -12.169 5.035 1.00 3.50 H new ATOM 0 HD3 PRO A 193 8.163 -11.571 6.473 1.00 3.50 H new ATOM 569 N GLY A 194 4.437 -7.802 5.561 1.00 40.24 N ATOM 570 CA GLY A 194 3.362 -7.283 4.801 1.00 22.05 C ATOM 571 C GLY A 194 3.303 -5.817 4.943 1.00 33.20 C ATOM 572 O GLY A 194 3.506 -5.293 6.042 1.00 5.33 O ATOM 0 H GLY A 194 4.564 -7.363 6.473 1.00 40.24 H new ATOM 0 HA2 GLY A 194 3.486 -7.550 3.751 1.00 22.05 H new ATOM 0 HA3 GLY A 194 2.424 -7.727 5.134 1.00 22.05 H new ATOM 576 N ILE A 195 3.052 -5.145 3.872 1.00 25.44 N ATOM 577 CA ILE A 195 2.992 -3.730 3.895 1.00 2.21 C ATOM 578 C ILE A 195 1.564 -3.251 3.850 1.00 53.42 C ATOM 579 O ILE A 195 0.778 -3.657 2.995 1.00 5.35 O ATOM 580 CB ILE A 195 3.873 -3.048 2.797 1.00 20.23 C ATOM 581 CG1 ILE A 195 5.370 -3.296 3.057 1.00 64.24 C ATOM 582 CG2 ILE A 195 3.603 -1.556 2.701 1.00 72.30 C ATOM 583 CD1 ILE A 195 5.880 -4.680 2.704 1.00 25.50 C ATOM 0 H ILE A 195 2.883 -5.564 2.957 1.00 25.44 H new ATOM 0 HA ILE A 195 3.426 -3.419 4.845 1.00 2.21 H new ATOM 0 HB ILE A 195 3.600 -3.502 1.844 1.00 20.23 H new ATOM 0 HG12 ILE A 195 5.944 -2.562 2.491 1.00 64.24 H new ATOM 0 HG13 ILE A 195 5.571 -3.113 4.113 1.00 64.24 H new ATOM 0 HG21 ILE A 195 4.235 -1.121 1.927 1.00 72.30 H new ATOM 0 HG22 ILE A 195 2.555 -1.391 2.449 1.00 72.30 H new ATOM 0 HG23 ILE A 195 3.824 -1.084 3.658 1.00 72.30 H new ATOM 0 HD11 ILE A 195 6.945 -4.743 2.927 1.00 25.50 H new ATOM 0 HD12 ILE A 195 5.342 -5.426 3.288 1.00 25.50 H new ATOM 0 HD13 ILE A 195 5.720 -4.867 1.642 1.00 25.50 H new ATOM 590 N PHE A 196 1.251 -2.406 4.778 1.00 44.54 N ATOM 591 CA PHE A 196 -0.081 -1.867 4.938 1.00 3.31 C ATOM 592 C PHE A 196 0.020 -0.365 4.835 1.00 0.12 C ATOM 593 O PHE A 196 1.128 0.191 4.888 1.00 52.02 O ATOM 594 CB PHE A 196 -0.625 -2.210 6.347 1.00 10.53 C ATOM 595 CG PHE A 196 -0.624 -3.672 6.723 1.00 73.30 C ATOM 596 CD1 PHE A 196 0.545 -4.294 7.144 1.00 45.14 C ATOM 597 CD2 PHE A 196 -1.787 -4.417 6.671 1.00 45.23 C ATOM 598 CE1 PHE A 196 0.555 -5.627 7.501 1.00 12.41 C ATOM 599 CE2 PHE A 196 -1.785 -5.751 7.032 1.00 22.32 C ATOM 600 CZ PHE A 196 -0.611 -6.358 7.445 1.00 10.03 C ATOM 0 H PHE A 196 1.920 -2.058 5.465 1.00 44.54 H new ATOM 0 HA PHE A 196 -0.743 -2.284 4.179 1.00 3.31 H new ATOM 0 HB2 PHE A 196 -0.034 -1.666 7.084 1.00 10.53 H new ATOM 0 HB3 PHE A 196 -1.647 -1.838 6.420 1.00 10.53 H new ATOM 0 HD1 PHE A 196 1.461 -3.725 7.193 1.00 45.14 H new ATOM 0 HD2 PHE A 196 -2.706 -3.952 6.345 1.00 45.23 H new ATOM 0 HE1 PHE A 196 1.473 -6.095 7.823 1.00 12.41 H new ATOM 0 HE2 PHE A 196 -2.701 -6.321 6.992 1.00 22.32 H new ATOM 0 HZ PHE A 196 -0.610 -7.402 7.722 1.00 10.03 H new ATOM 610 N ILE A 197 -1.098 0.287 4.695 1.00 5.11 N ATOM 611 CA ILE A 197 -1.133 1.731 4.687 1.00 13.32 C ATOM 612 C ILE A 197 -1.008 2.202 6.135 1.00 41.14 C ATOM 613 O ILE A 197 -1.693 1.703 7.008 1.00 4.03 O ATOM 614 CB ILE A 197 -2.451 2.266 4.063 1.00 15.23 C ATOM 615 CG1 ILE A 197 -2.640 1.757 2.619 1.00 43.12 C ATOM 616 CG2 ILE A 197 -2.520 3.793 4.111 1.00 71.34 C ATOM 617 CD1 ILE A 197 -1.568 2.188 1.640 1.00 22.30 C ATOM 0 H ILE A 197 -2.009 -0.159 4.583 1.00 5.11 H new ATOM 0 HA ILE A 197 -0.314 2.114 4.078 1.00 13.32 H new ATOM 0 HB ILE A 197 -3.270 1.876 4.668 1.00 15.23 H new ATOM 0 HG12 ILE A 197 -2.678 0.668 2.636 1.00 43.12 H new ATOM 0 HG13 ILE A 197 -3.606 2.103 2.252 1.00 43.12 H new ATOM 0 HG21 ILE A 197 -3.456 4.129 3.665 1.00 71.34 H new ATOM 0 HG22 ILE A 197 -2.471 4.127 5.147 1.00 71.34 H new ATOM 0 HG23 ILE A 197 -1.682 4.213 3.554 1.00 71.34 H new ATOM 0 HD11 ILE A 197 -1.790 1.780 0.654 1.00 22.30 H new ATOM 0 HD12 ILE A 197 -1.542 3.276 1.585 1.00 22.30 H new ATOM 0 HD13 ILE A 197 -0.599 1.818 1.975 1.00 22.30 H new ATOM 624 N SER A 198 -0.129 3.111 6.396 1.00 42.32 N ATOM 625 CA SER A 198 0.085 3.521 7.753 1.00 42.11 C ATOM 626 C SER A 198 -0.567 4.872 8.040 1.00 25.21 C ATOM 627 O SER A 198 -0.868 5.193 9.189 1.00 34.44 O ATOM 628 CB SER A 198 1.581 3.558 8.060 1.00 54.23 C ATOM 629 OG SER A 198 2.243 4.611 7.380 1.00 25.34 O ATOM 0 H SER A 198 0.449 3.582 5.700 1.00 42.32 H new ATOM 0 HA SER A 198 -0.388 2.790 8.408 1.00 42.11 H new ATOM 0 HB2 SER A 198 1.727 3.674 9.134 1.00 54.23 H new ATOM 0 HB3 SER A 198 2.031 2.606 7.778 1.00 54.23 H new ATOM 0 HG SER A 198 3.105 4.291 7.041 1.00 25.34 H new ATOM 635 N ARG A 199 -0.800 5.650 6.995 1.00 24.53 N ATOM 636 CA ARG A 199 -1.353 6.984 7.140 1.00 41.11 C ATOM 637 C ARG A 199 -1.797 7.494 5.786 1.00 60.34 C ATOM 638 O ARG A 199 -1.191 7.154 4.763 1.00 41.53 O ATOM 639 CB ARG A 199 -0.275 7.948 7.708 1.00 1.50 C ATOM 640 CG ARG A 199 -0.756 9.371 8.011 1.00 74.32 C ATOM 641 CD ARG A 199 -1.784 9.367 9.125 1.00 74.25 C ATOM 642 NE ARG A 199 -2.263 10.709 9.451 1.00 13.41 N ATOM 643 CZ ARG A 199 -3.088 10.991 10.473 1.00 22.22 C ATOM 644 NH1 ARG A 199 -3.525 10.014 11.273 1.00 51.12 N ATOM 645 NH2 ARG A 199 -3.469 12.242 10.701 1.00 2.03 N ATOM 0 H ARG A 199 -0.612 5.376 6.031 1.00 24.53 H new ATOM 0 HA ARG A 199 -2.202 6.942 7.823 1.00 41.11 H new ATOM 0 HB2 ARG A 199 0.127 7.516 8.625 1.00 1.50 H new ATOM 0 HB3 ARG A 199 0.548 8.005 6.995 1.00 1.50 H new ATOM 0 HG2 ARG A 199 0.092 9.993 8.295 1.00 74.32 H new ATOM 0 HG3 ARG A 199 -1.188 9.812 7.113 1.00 74.32 H new ATOM 0 HD2 ARG A 199 -2.629 8.744 8.832 1.00 74.25 H new ATOM 0 HD3 ARG A 199 -1.348 8.914 10.016 1.00 74.25 H new ATOM 0 HE ARG A 199 -1.950 11.482 8.864 1.00 13.41 H new ATOM 0 HH11 ARG A 199 -3.232 9.051 11.109 1.00 51.12 H new ATOM 0 HH12 ARG A 199 -4.151 10.231 12.048 1.00 51.12 H new ATOM 0 HH21 ARG A 199 -3.135 12.995 10.099 1.00 2.03 H new ATOM 0 HH22 ARG A 199 -4.096 12.451 11.478 1.00 2.03 H new ATOM 657 N LEU A 200 -2.850 8.268 5.773 1.00 23.31 N ATOM 658 CA LEU A 200 -3.281 8.940 4.577 1.00 22.43 C ATOM 659 C LEU A 200 -3.087 10.400 4.760 1.00 60.22 C ATOM 660 O LEU A 200 -3.348 10.931 5.846 1.00 24.24 O ATOM 661 CB LEU A 200 -4.766 8.739 4.294 1.00 61.31 C ATOM 662 CG LEU A 200 -5.261 7.366 3.909 1.00 75.23 C ATOM 663 CD1 LEU A 200 -6.754 7.459 3.660 1.00 24.34 C ATOM 664 CD2 LEU A 200 -4.552 6.879 2.657 1.00 75.04 C ATOM 0 H LEU A 200 -3.432 8.450 6.591 1.00 23.31 H new ATOM 0 HA LEU A 200 -2.699 8.528 3.753 1.00 22.43 H new ATOM 0 HB2 LEU A 200 -5.315 9.049 5.183 1.00 61.31 H new ATOM 0 HB3 LEU A 200 -5.044 9.425 3.493 1.00 61.31 H new ATOM 0 HG LEU A 200 -5.054 6.656 4.710 1.00 75.23 H new ATOM 0 HD11 LEU A 200 -7.138 6.478 3.379 1.00 24.34 H new ATOM 0 HD12 LEU A 200 -7.254 7.798 4.567 1.00 24.34 H new ATOM 0 HD13 LEU A 200 -6.945 8.167 2.854 1.00 24.34 H new ATOM 0 HD21 LEU A 200 -4.920 5.888 2.393 1.00 75.04 H new ATOM 0 HD22 LEU A 200 -4.747 7.569 1.836 1.00 75.04 H new ATOM 0 HD23 LEU A 200 -3.479 6.830 2.842 1.00 75.04 H new ATOM 672 N VAL A 201 -2.639 11.055 3.745 1.00 62.30 N ATOM 673 CA VAL A 201 -2.587 12.473 3.780 1.00 72.35 C ATOM 674 C VAL A 201 -3.852 12.948 3.105 1.00 33.40 C ATOM 675 O VAL A 201 -4.053 12.682 1.911 1.00 23.32 O ATOM 676 CB VAL A 201 -1.352 13.038 3.035 1.00 51.24 C ATOM 677 CG1 VAL A 201 -1.309 14.549 3.144 1.00 4.20 C ATOM 678 CG2 VAL A 201 -0.077 12.440 3.585 1.00 64.23 C ATOM 0 H VAL A 201 -2.303 10.630 2.881 1.00 62.30 H new ATOM 0 HA VAL A 201 -2.504 12.819 4.810 1.00 72.35 H new ATOM 0 HB VAL A 201 -1.437 12.766 1.983 1.00 51.24 H new ATOM 0 HG11 VAL A 201 -0.435 14.927 2.615 1.00 4.20 H new ATOM 0 HG12 VAL A 201 -2.211 14.971 2.702 1.00 4.20 H new ATOM 0 HG13 VAL A 201 -1.250 14.837 4.194 1.00 4.20 H new ATOM 0 HG21 VAL A 201 0.778 12.850 3.048 1.00 64.23 H new ATOM 0 HG22 VAL A 201 0.010 12.681 4.645 1.00 64.23 H new ATOM 0 HG23 VAL A 201 -0.099 11.357 3.460 1.00 64.23 H new ATOM 684 N PRO A 202 -4.745 13.612 3.843 1.00 4.32 N ATOM 685 CA PRO A 202 -6.010 14.065 3.294 1.00 52.41 C ATOM 686 C PRO A 202 -5.780 15.064 2.171 1.00 22.45 C ATOM 687 O PRO A 202 -5.061 16.049 2.338 1.00 22.33 O ATOM 688 CB PRO A 202 -6.728 14.717 4.477 1.00 33.42 C ATOM 689 CG PRO A 202 -5.660 15.005 5.471 1.00 73.22 C ATOM 690 CD PRO A 202 -4.594 13.974 5.261 1.00 61.35 C ATOM 0 HA PRO A 202 -6.593 13.253 2.859 1.00 52.41 H new ATOM 0 HB2 PRO A 202 -7.239 15.630 4.173 1.00 33.42 H new ATOM 0 HB3 PRO A 202 -7.485 14.052 4.893 1.00 33.42 H new ATOM 0 HG2 PRO A 202 -5.261 16.010 5.331 1.00 73.22 H new ATOM 0 HG3 PRO A 202 -6.052 14.956 6.487 1.00 73.22 H new ATOM 0 HD2 PRO A 202 -3.602 14.374 5.470 1.00 61.35 H new ATOM 0 HD3 PRO A 202 -4.735 13.112 5.913 1.00 61.35 H new ATOM 698 N GLY A 203 -6.363 14.806 1.041 1.00 62.13 N ATOM 699 CA GLY A 203 -6.125 15.641 -0.099 1.00 3.13 C ATOM 700 C GLY A 203 -5.182 14.981 -1.073 1.00 74.32 C ATOM 701 O GLY A 203 -5.052 15.419 -2.221 1.00 13.22 O ATOM 0 H GLY A 203 -7.004 14.029 0.882 1.00 62.13 H new ATOM 0 HA2 GLY A 203 -7.070 15.860 -0.596 1.00 3.13 H new ATOM 0 HA3 GLY A 203 -5.707 16.594 0.226 1.00 3.13 H new ATOM 705 N GLY A 204 -4.514 13.932 -0.616 1.00 33.44 N ATOM 706 CA GLY A 204 -3.640 13.186 -1.475 1.00 61.14 C ATOM 707 C GLY A 204 -4.429 12.206 -2.293 1.00 22.22 C ATOM 708 O GLY A 204 -5.549 11.863 -1.929 1.00 42.41 O ATOM 0 H GLY A 204 -4.568 13.588 0.343 1.00 33.44 H new ATOM 0 HA2 GLY A 204 -3.097 13.865 -2.132 1.00 61.14 H new ATOM 0 HA3 GLY A 204 -2.896 12.657 -0.879 1.00 61.14 H new ATOM 712 N LEU A 205 -3.832 11.724 -3.354 1.00 21.34 N ATOM 713 CA LEU A 205 -4.456 10.847 -4.327 1.00 45.32 C ATOM 714 C LEU A 205 -5.086 9.599 -3.686 1.00 31.13 C ATOM 715 O LEU A 205 -6.174 9.166 -4.087 1.00 0.20 O ATOM 716 CB LEU A 205 -3.390 10.461 -5.317 1.00 44.01 C ATOM 717 CG LEU A 205 -2.822 11.599 -6.123 1.00 41.43 C ATOM 718 CD1 LEU A 205 -1.526 11.227 -6.706 1.00 73.35 C ATOM 719 CD2 LEU A 205 -3.786 12.029 -7.208 1.00 12.43 C ATOM 0 H LEU A 205 -2.860 11.937 -3.577 1.00 21.34 H new ATOM 0 HA LEU A 205 -5.279 11.371 -4.813 1.00 45.32 H new ATOM 0 HB2 LEU A 205 -2.576 9.976 -4.779 1.00 44.01 H new ATOM 0 HB3 LEU A 205 -3.804 9.722 -6.003 1.00 44.01 H new ATOM 0 HG LEU A 205 -2.669 12.443 -5.450 1.00 41.43 H new ATOM 0 HD11 LEU A 205 -1.134 12.064 -7.284 1.00 73.35 H new ATOM 0 HD12 LEU A 205 -0.826 10.977 -5.908 1.00 73.35 H new ATOM 0 HD13 LEU A 205 -1.655 10.364 -7.359 1.00 73.35 H new ATOM 0 HD21 LEU A 205 -3.352 12.852 -7.775 1.00 12.43 H new ATOM 0 HD22 LEU A 205 -3.979 11.190 -7.876 1.00 12.43 H new ATOM 0 HD23 LEU A 205 -4.722 12.355 -6.755 1.00 12.43 H new ATOM 727 N ALA A 206 -4.418 9.053 -2.683 1.00 3.43 N ATOM 728 CA ALA A 206 -4.898 7.865 -1.987 1.00 51.03 C ATOM 729 C ALA A 206 -6.184 8.160 -1.234 1.00 30.31 C ATOM 730 O ALA A 206 -7.147 7.383 -1.268 1.00 45.44 O ATOM 731 CB ALA A 206 -3.841 7.363 -1.024 1.00 24.40 C ATOM 0 H ALA A 206 -3.533 9.416 -2.328 1.00 3.43 H new ATOM 0 HA ALA A 206 -5.103 7.095 -2.730 1.00 51.03 H new ATOM 0 HB1 ALA A 206 -4.210 6.476 -0.509 1.00 24.40 H new ATOM 0 HB2 ALA A 206 -2.935 7.112 -1.576 1.00 24.40 H new ATOM 0 HB3 ALA A 206 -3.617 8.140 -0.293 1.00 24.40 H new ATOM 737 N GLU A 207 -6.197 9.284 -0.575 1.00 52.13 N ATOM 738 CA GLU A 207 -7.322 9.694 0.207 1.00 24.03 C ATOM 739 C GLU A 207 -8.444 10.206 -0.726 1.00 30.02 C ATOM 740 O GLU A 207 -9.617 9.953 -0.488 1.00 22.15 O ATOM 741 CB GLU A 207 -6.840 10.722 1.263 1.00 62.54 C ATOM 742 CG GLU A 207 -7.846 11.131 2.339 1.00 52.30 C ATOM 743 CD GLU A 207 -8.935 12.029 1.846 1.00 33.14 C ATOM 744 OE1 GLU A 207 -8.637 13.186 1.473 1.00 40.24 O ATOM 745 OE2 GLU A 207 -10.095 11.590 1.805 1.00 64.11 O ATOM 0 H GLU A 207 -5.420 9.944 -0.567 1.00 52.13 H new ATOM 0 HA GLU A 207 -7.760 8.862 0.759 1.00 24.03 H new ATOM 0 HB2 GLU A 207 -5.960 10.312 1.759 1.00 62.54 H new ATOM 0 HB3 GLU A 207 -6.519 11.622 0.739 1.00 62.54 H new ATOM 0 HG2 GLU A 207 -8.294 10.232 2.762 1.00 52.30 H new ATOM 0 HG3 GLU A 207 -7.314 11.633 3.147 1.00 52.30 H new ATOM 752 N SER A 208 -8.054 10.872 -1.817 1.00 53.33 N ATOM 753 CA SER A 208 -9.005 11.381 -2.804 1.00 24.50 C ATOM 754 C SER A 208 -9.816 10.250 -3.439 1.00 12.32 C ATOM 755 O SER A 208 -11.026 10.381 -3.634 1.00 33.20 O ATOM 756 CB SER A 208 -8.287 12.203 -3.878 1.00 1.42 C ATOM 757 OG SER A 208 -7.619 13.323 -3.298 1.00 14.32 O ATOM 0 H SER A 208 -7.078 11.071 -2.038 1.00 53.33 H new ATOM 0 HA SER A 208 -9.704 12.034 -2.281 1.00 24.50 H new ATOM 0 HB2 SER A 208 -7.566 11.575 -4.401 1.00 1.42 H new ATOM 0 HB3 SER A 208 -9.007 12.548 -4.620 1.00 1.42 H new ATOM 0 HG SER A 208 -6.854 13.011 -2.770 1.00 14.32 H new ATOM 763 N THR A 209 -9.167 9.135 -3.755 1.00 61.43 N ATOM 764 CA THR A 209 -9.902 8.010 -4.281 1.00 42.12 C ATOM 765 C THR A 209 -10.706 7.357 -3.149 1.00 32.31 C ATOM 766 O THR A 209 -11.809 6.859 -3.356 1.00 24.54 O ATOM 767 CB THR A 209 -8.995 6.968 -5.038 1.00 12.14 C ATOM 768 OG1 THR A 209 -9.783 5.919 -5.570 1.00 32.41 O ATOM 769 CG2 THR A 209 -7.910 6.379 -4.151 1.00 20.03 C ATOM 0 H THR A 209 -8.161 8.994 -3.657 1.00 61.43 H new ATOM 0 HA THR A 209 -10.588 8.386 -5.041 1.00 42.12 H new ATOM 0 HB THR A 209 -8.505 7.515 -5.844 1.00 12.14 H new ATOM 0 HG1 THR A 209 -9.205 5.281 -6.038 1.00 32.41 H new ATOM 0 HG21 THR A 209 -7.316 5.668 -4.726 1.00 20.03 H new ATOM 0 HG22 THR A 209 -7.265 7.178 -3.785 1.00 20.03 H new ATOM 0 HG23 THR A 209 -8.369 5.868 -3.305 1.00 20.03 H new ATOM 775 N GLY A 210 -10.142 7.396 -1.940 1.00 32.43 N ATOM 776 CA GLY A 210 -10.816 6.877 -0.769 1.00 32.14 C ATOM 777 C GLY A 210 -10.923 5.381 -0.774 1.00 1.10 C ATOM 778 O GLY A 210 -11.647 4.795 0.033 1.00 33.02 O ATOM 0 H GLY A 210 -9.217 7.785 -1.756 1.00 32.43 H new ATOM 0 HA2 GLY A 210 -10.279 7.195 0.124 1.00 32.14 H new ATOM 0 HA3 GLY A 210 -11.816 7.308 -0.710 1.00 32.14 H new ATOM 782 N LEU A 211 -10.219 4.764 -1.686 1.00 61.34 N ATOM 783 CA LEU A 211 -10.229 3.335 -1.809 1.00 61.22 C ATOM 784 C LEU A 211 -9.055 2.770 -1.054 1.00 23.15 C ATOM 785 O LEU A 211 -8.904 1.564 -0.918 1.00 74.00 O ATOM 786 CB LEU A 211 -10.201 2.927 -3.282 1.00 32.53 C ATOM 787 CG LEU A 211 -11.297 3.572 -4.149 1.00 22.43 C ATOM 788 CD1 LEU A 211 -11.248 3.058 -5.578 1.00 41.20 C ATOM 789 CD2 LEU A 211 -12.684 3.371 -3.548 1.00 22.15 C ATOM 0 H LEU A 211 -9.623 5.240 -2.363 1.00 61.34 H new ATOM 0 HA LEU A 211 -11.146 2.931 -1.380 1.00 61.22 H new ATOM 0 HB2 LEU A 211 -9.228 3.187 -3.698 1.00 32.53 H new ATOM 0 HB3 LEU A 211 -10.297 1.843 -3.347 1.00 32.53 H new ATOM 0 HG LEU A 211 -11.098 4.643 -4.169 1.00 22.43 H new ATOM 0 HD11 LEU A 211 -12.035 3.534 -6.163 1.00 41.20 H new ATOM 0 HD12 LEU A 211 -10.278 3.293 -6.016 1.00 41.20 H new ATOM 0 HD13 LEU A 211 -11.396 1.978 -5.581 1.00 41.20 H new ATOM 0 HD21 LEU A 211 -13.430 3.841 -4.189 1.00 22.15 H new ATOM 0 HD22 LEU A 211 -12.895 2.305 -3.467 1.00 22.15 H new ATOM 0 HD23 LEU A 211 -12.720 3.824 -2.557 1.00 22.15 H new ATOM 797 N LEU A 212 -8.226 3.665 -0.566 1.00 21.22 N ATOM 798 CA LEU A 212 -7.131 3.279 0.277 1.00 51.41 C ATOM 799 C LEU A 212 -7.439 3.755 1.686 1.00 22.41 C ATOM 800 O LEU A 212 -7.852 4.910 1.889 1.00 41.25 O ATOM 801 CB LEU A 212 -5.805 3.922 -0.220 1.00 11.21 C ATOM 802 CG LEU A 212 -5.304 3.492 -1.616 1.00 5.22 C ATOM 803 CD1 LEU A 212 -4.036 4.224 -2.006 1.00 45.22 C ATOM 804 CD2 LEU A 212 -5.023 2.035 -1.629 1.00 60.04 C ATOM 0 H LEU A 212 -8.295 4.667 -0.743 1.00 21.22 H new ATOM 0 HA LEU A 212 -7.008 2.196 0.255 1.00 51.41 H new ATOM 0 HB2 LEU A 212 -5.933 5.005 -0.223 1.00 11.21 H new ATOM 0 HB3 LEU A 212 -5.024 3.695 0.506 1.00 11.21 H new ATOM 0 HG LEU A 212 -6.090 3.739 -2.330 1.00 5.22 H new ATOM 0 HD11 LEU A 212 -3.715 3.894 -2.994 1.00 45.22 H new ATOM 0 HD12 LEU A 212 -4.227 5.297 -2.026 1.00 45.22 H new ATOM 0 HD13 LEU A 212 -3.253 4.008 -1.279 1.00 45.22 H new ATOM 0 HD21 LEU A 212 -4.670 1.741 -2.618 1.00 60.04 H new ATOM 0 HD22 LEU A 212 -4.258 1.805 -0.888 1.00 60.04 H new ATOM 0 HD23 LEU A 212 -5.934 1.487 -1.391 1.00 60.04 H new ATOM 812 N ALA A 213 -7.286 2.870 2.628 1.00 41.23 N ATOM 813 CA ALA A 213 -7.455 3.155 4.031 1.00 22.03 C ATOM 814 C ALA A 213 -6.286 2.556 4.779 1.00 1.13 C ATOM 815 O ALA A 213 -5.570 1.737 4.223 1.00 0.24 O ATOM 816 CB ALA A 213 -8.778 2.609 4.540 1.00 21.01 C ATOM 0 H ALA A 213 -7.033 1.900 2.440 1.00 41.23 H new ATOM 0 HA ALA A 213 -7.477 4.233 4.193 1.00 22.03 H new ATOM 0 HB1 ALA A 213 -8.882 2.837 5.601 1.00 21.01 H new ATOM 0 HB2 ALA A 213 -9.598 3.069 3.988 1.00 21.01 H new ATOM 0 HB3 ALA A 213 -8.805 1.529 4.397 1.00 21.01 H new ATOM 822 N VAL A 214 -6.099 2.935 6.023 1.00 33.13 N ATOM 823 CA VAL A 214 -4.993 2.444 6.814 1.00 42.34 C ATOM 824 C VAL A 214 -5.035 0.915 7.050 1.00 24.41 C ATOM 825 O VAL A 214 -4.009 0.270 7.163 1.00 0.14 O ATOM 826 CB VAL A 214 -4.792 3.240 8.132 1.00 50.42 C ATOM 827 CG1 VAL A 214 -4.480 4.702 7.831 1.00 71.03 C ATOM 828 CG2 VAL A 214 -5.996 3.131 9.052 1.00 61.44 C ATOM 0 H VAL A 214 -6.707 3.590 6.514 1.00 33.13 H new ATOM 0 HA VAL A 214 -4.106 2.626 6.206 1.00 42.34 H new ATOM 0 HB VAL A 214 -3.943 2.797 8.653 1.00 50.42 H new ATOM 0 HG11 VAL A 214 -4.342 5.245 8.766 1.00 71.03 H new ATOM 0 HG12 VAL A 214 -3.568 4.765 7.237 1.00 71.03 H new ATOM 0 HG13 VAL A 214 -5.307 5.143 7.274 1.00 71.03 H new ATOM 0 HG21 VAL A 214 -5.812 3.703 9.962 1.00 61.44 H new ATOM 0 HG22 VAL A 214 -6.877 3.527 8.547 1.00 61.44 H new ATOM 0 HG23 VAL A 214 -6.164 2.085 9.309 1.00 61.44 H new ATOM 834 N ASN A 215 -6.225 0.352 7.118 1.00 41.45 N ATOM 835 CA ASN A 215 -6.383 -1.112 7.329 1.00 20.43 C ATOM 836 C ASN A 215 -5.998 -1.907 6.076 1.00 41.53 C ATOM 837 O ASN A 215 -5.880 -3.136 6.120 1.00 51.33 O ATOM 838 CB ASN A 215 -7.813 -1.535 7.803 1.00 3.52 C ATOM 839 CG ASN A 215 -8.932 -1.514 6.728 1.00 1.34 C ATOM 840 OD1 ASN A 215 -9.870 -2.317 6.793 1.00 55.22 O ATOM 841 ND2 ASN A 215 -8.865 -0.623 5.771 1.00 54.32 N ATOM 0 H ASN A 215 -7.103 0.863 7.033 1.00 41.45 H new ATOM 0 HA ASN A 215 -5.695 -1.353 8.140 1.00 20.43 H new ATOM 0 HB2 ASN A 215 -7.752 -2.543 8.213 1.00 3.52 H new ATOM 0 HB3 ASN A 215 -8.111 -0.876 8.619 1.00 3.52 H new ATOM 0 HD21 ASN A 215 -9.596 -0.582 5.060 1.00 54.32 H new ATOM 0 HD22 ASN A 215 -8.082 0.030 5.736 1.00 54.32 H new ATOM 847 N ASP A 216 -5.865 -1.210 4.961 1.00 11.32 N ATOM 848 CA ASP A 216 -5.577 -1.831 3.685 1.00 23.42 C ATOM 849 C ASP A 216 -4.149 -2.313 3.557 1.00 32.22 C ATOM 850 O ASP A 216 -3.184 -1.587 3.849 1.00 12.51 O ATOM 851 CB ASP A 216 -5.967 -0.939 2.513 1.00 23.30 C ATOM 852 CG ASP A 216 -7.462 -0.809 2.345 1.00 14.55 C ATOM 853 OD1 ASP A 216 -8.061 0.075 2.967 1.00 4.21 O ATOM 854 OD2 ASP A 216 -8.055 -1.589 1.581 1.00 4.42 O ATOM 0 H ASP A 216 -5.954 -0.195 4.918 1.00 11.32 H new ATOM 0 HA ASP A 216 -6.204 -2.722 3.650 1.00 23.42 H new ATOM 0 HB2 ASP A 216 -5.535 0.051 2.657 1.00 23.30 H new ATOM 0 HB3 ASP A 216 -5.537 -1.343 1.597 1.00 23.30 H new ATOM 859 N GLU A 217 -4.043 -3.543 3.121 1.00 40.51 N ATOM 860 CA GLU A 217 -2.797 -4.248 2.927 1.00 31.21 C ATOM 861 C GLU A 217 -2.466 -4.302 1.449 1.00 25.20 C ATOM 862 O GLU A 217 -3.319 -4.678 0.632 1.00 61.32 O ATOM 863 CB GLU A 217 -2.965 -5.658 3.457 1.00 52.12 C ATOM 864 CG GLU A 217 -1.778 -6.575 3.282 1.00 33.04 C ATOM 865 CD GLU A 217 -2.113 -7.952 3.754 1.00 34.40 C ATOM 866 OE1 GLU A 217 -1.922 -8.242 4.925 1.00 5.34 O ATOM 867 OE2 GLU A 217 -2.645 -8.759 2.956 1.00 33.45 O ATOM 0 H GLU A 217 -4.858 -4.107 2.880 1.00 40.51 H new ATOM 0 HA GLU A 217 -1.990 -3.737 3.452 1.00 31.21 H new ATOM 0 HB2 GLU A 217 -3.201 -5.600 4.520 1.00 52.12 H new ATOM 0 HB3 GLU A 217 -3.825 -6.111 2.964 1.00 52.12 H new ATOM 0 HG2 GLU A 217 -1.484 -6.604 2.233 1.00 33.04 H new ATOM 0 HG3 GLU A 217 -0.926 -6.189 3.841 1.00 33.04 H new ATOM 874 N VAL A 218 -1.243 -3.973 1.113 1.00 11.01 N ATOM 875 CA VAL A 218 -0.813 -3.915 -0.264 1.00 2.43 C ATOM 876 C VAL A 218 -0.498 -5.317 -0.793 1.00 34.25 C ATOM 877 O VAL A 218 0.213 -6.095 -0.162 1.00 63.14 O ATOM 878 CB VAL A 218 0.424 -2.979 -0.441 1.00 63.14 C ATOM 879 CG1 VAL A 218 0.758 -2.783 -1.912 1.00 20.52 C ATOM 880 CG2 VAL A 218 0.198 -1.632 0.241 1.00 74.44 C ATOM 0 H VAL A 218 -0.515 -3.737 1.788 1.00 11.01 H new ATOM 0 HA VAL A 218 -1.635 -3.497 -0.845 1.00 2.43 H new ATOM 0 HB VAL A 218 1.274 -3.464 0.039 1.00 63.14 H new ATOM 0 HG11 VAL A 218 1.623 -2.127 -2.004 1.00 20.52 H new ATOM 0 HG12 VAL A 218 0.984 -3.748 -2.365 1.00 20.52 H new ATOM 0 HG13 VAL A 218 -0.094 -2.333 -2.422 1.00 20.52 H new ATOM 0 HG21 VAL A 218 1.076 -1.001 0.101 1.00 74.44 H new ATOM 0 HG22 VAL A 218 -0.673 -1.144 -0.197 1.00 74.44 H new ATOM 0 HG23 VAL A 218 0.029 -1.787 1.307 1.00 74.44 H new ATOM 886 N ILE A 219 -1.057 -5.619 -1.935 1.00 11.31 N ATOM 887 CA ILE A 219 -0.871 -6.880 -2.620 1.00 44.10 C ATOM 888 C ILE A 219 0.235 -6.756 -3.650 1.00 41.10 C ATOM 889 O ILE A 219 1.175 -7.563 -3.688 1.00 51.32 O ATOM 890 CB ILE A 219 -2.193 -7.316 -3.337 1.00 21.04 C ATOM 891 CG1 ILE A 219 -3.289 -7.588 -2.323 1.00 64.43 C ATOM 892 CG2 ILE A 219 -1.990 -8.545 -4.213 1.00 4.21 C ATOM 893 CD1 ILE A 219 -2.916 -8.646 -1.333 1.00 65.22 C ATOM 0 H ILE A 219 -1.674 -4.977 -2.433 1.00 11.31 H new ATOM 0 HA ILE A 219 -0.599 -7.633 -1.880 1.00 44.10 H new ATOM 0 HB ILE A 219 -2.492 -6.489 -3.981 1.00 21.04 H new ATOM 0 HG12 ILE A 219 -3.522 -6.666 -1.791 1.00 64.43 H new ATOM 0 HG13 ILE A 219 -4.195 -7.891 -2.847 1.00 64.43 H new ATOM 0 HG21 ILE A 219 -2.933 -8.811 -4.690 1.00 4.21 H new ATOM 0 HG22 ILE A 219 -1.245 -8.327 -4.978 1.00 4.21 H new ATOM 0 HG23 ILE A 219 -1.647 -9.377 -3.598 1.00 4.21 H new ATOM 0 HD11 ILE A 219 -3.739 -8.797 -0.634 1.00 65.22 H new ATOM 0 HD12 ILE A 219 -2.710 -9.579 -1.858 1.00 65.22 H new ATOM 0 HD13 ILE A 219 -2.027 -8.334 -0.785 1.00 65.22 H new ATOM 900 N GLU A 220 0.133 -5.738 -4.464 1.00 54.23 N ATOM 901 CA GLU A 220 1.056 -5.522 -5.538 1.00 23.11 C ATOM 902 C GLU A 220 1.118 -4.044 -5.906 1.00 1.00 C ATOM 903 O GLU A 220 0.161 -3.285 -5.658 1.00 34.40 O ATOM 904 CB GLU A 220 0.657 -6.386 -6.761 1.00 72.11 C ATOM 905 CG GLU A 220 -0.776 -6.202 -7.203 1.00 23.24 C ATOM 906 CD GLU A 220 -1.153 -7.040 -8.399 1.00 3.52 C ATOM 907 OE1 GLU A 220 -1.580 -8.198 -8.214 1.00 44.23 O ATOM 908 OE2 GLU A 220 -1.047 -6.550 -9.540 1.00 34.51 O ATOM 0 H GLU A 220 -0.600 -5.032 -4.396 1.00 54.23 H new ATOM 0 HA GLU A 220 2.052 -5.824 -5.213 1.00 23.11 H new ATOM 0 HB2 GLU A 220 1.317 -6.145 -7.594 1.00 72.11 H new ATOM 0 HB3 GLU A 220 0.820 -7.436 -6.519 1.00 72.11 H new ATOM 0 HG2 GLU A 220 -1.438 -6.450 -6.373 1.00 23.24 H new ATOM 0 HG3 GLU A 220 -0.942 -5.151 -7.440 1.00 23.24 H new ATOM 915 N VAL A 221 2.240 -3.648 -6.459 1.00 61.42 N ATOM 916 CA VAL A 221 2.473 -2.309 -6.928 1.00 75.13 C ATOM 917 C VAL A 221 2.879 -2.377 -8.409 1.00 14.04 C ATOM 918 O VAL A 221 3.810 -3.088 -8.783 1.00 43.34 O ATOM 919 CB VAL A 221 3.543 -1.538 -6.061 1.00 23.25 C ATOM 920 CG1 VAL A 221 4.871 -2.234 -6.043 1.00 22.21 C ATOM 921 CG2 VAL A 221 3.705 -0.108 -6.534 1.00 52.51 C ATOM 0 H VAL A 221 3.037 -4.269 -6.598 1.00 61.42 H new ATOM 0 HA VAL A 221 1.553 -1.734 -6.824 1.00 75.13 H new ATOM 0 HB VAL A 221 3.164 -1.528 -5.039 1.00 23.25 H new ATOM 0 HG11 VAL A 221 5.572 -1.664 -5.433 1.00 22.21 H new ATOM 0 HG12 VAL A 221 4.753 -3.233 -5.622 1.00 22.21 H new ATOM 0 HG13 VAL A 221 5.255 -2.312 -7.060 1.00 22.21 H new ATOM 0 HG21 VAL A 221 4.448 0.397 -5.917 1.00 52.51 H new ATOM 0 HG22 VAL A 221 4.032 -0.104 -7.574 1.00 52.51 H new ATOM 0 HG23 VAL A 221 2.751 0.413 -6.452 1.00 52.51 H new ATOM 927 N ASN A 222 2.096 -1.709 -9.240 1.00 71.13 N ATOM 928 CA ASN A 222 2.220 -1.658 -10.717 1.00 44.40 C ATOM 929 C ASN A 222 1.731 -2.940 -11.368 1.00 10.20 C ATOM 930 O ASN A 222 1.270 -2.954 -12.508 1.00 12.13 O ATOM 931 CB ASN A 222 3.632 -1.311 -11.196 1.00 4.11 C ATOM 932 CG ASN A 222 3.668 -1.132 -12.701 1.00 12.13 C ATOM 933 OD1 ASN A 222 3.945 -2.067 -13.454 1.00 25.35 O ATOM 934 ND2 ASN A 222 3.391 0.065 -13.141 1.00 44.31 N ATOM 0 H ASN A 222 1.311 -1.153 -8.901 1.00 71.13 H new ATOM 0 HA ASN A 222 1.572 -0.841 -11.036 1.00 44.40 H new ATOM 0 HB2 ASN A 222 3.970 -0.396 -10.709 1.00 4.11 H new ATOM 0 HB3 ASN A 222 4.323 -2.102 -10.904 1.00 4.11 H new ATOM 0 HD21 ASN A 222 3.399 0.254 -14.143 1.00 44.31 H new ATOM 0 HD22 ASN A 222 3.167 0.811 -12.483 1.00 44.31 H new ATOM 940 N GLY A 223 1.769 -3.970 -10.612 1.00 41.30 N ATOM 941 CA GLY A 223 1.463 -5.279 -11.085 1.00 40.23 C ATOM 942 C GLY A 223 2.405 -6.277 -10.475 1.00 51.52 C ATOM 943 O GLY A 223 2.202 -7.490 -10.566 1.00 1.53 O ATOM 0 H GLY A 223 2.018 -3.934 -9.624 1.00 41.30 H new ATOM 0 HA2 GLY A 223 0.434 -5.535 -10.832 1.00 40.23 H new ATOM 0 HA3 GLY A 223 1.541 -5.310 -12.172 1.00 40.23 H new ATOM 947 N ILE A 224 3.435 -5.762 -9.843 1.00 14.43 N ATOM 948 CA ILE A 224 4.428 -6.566 -9.201 1.00 24.52 C ATOM 949 C ILE A 224 4.036 -6.768 -7.755 1.00 24.11 C ATOM 950 O ILE A 224 3.813 -5.802 -7.027 1.00 23.42 O ATOM 951 CB ILE A 224 5.801 -5.882 -9.250 1.00 13.40 C ATOM 952 CG1 ILE A 224 6.197 -5.604 -10.704 1.00 70.54 C ATOM 953 CG2 ILE A 224 6.847 -6.754 -8.561 1.00 5.03 C ATOM 954 CD1 ILE A 224 7.501 -4.869 -10.846 1.00 71.22 C ATOM 0 H ILE A 224 3.601 -4.759 -9.764 1.00 14.43 H new ATOM 0 HA ILE A 224 4.493 -7.522 -9.721 1.00 24.52 H new ATOM 0 HB ILE A 224 5.745 -4.931 -8.720 1.00 13.40 H new ATOM 0 HG12 ILE A 224 6.264 -6.551 -11.240 1.00 70.54 H new ATOM 0 HG13 ILE A 224 5.408 -5.022 -11.181 1.00 70.54 H new ATOM 0 HG21 ILE A 224 7.817 -6.259 -8.602 1.00 5.03 H new ATOM 0 HG22 ILE A 224 6.562 -6.910 -7.520 1.00 5.03 H new ATOM 0 HG23 ILE A 224 6.909 -7.717 -9.068 1.00 5.03 H new ATOM 0 HD11 ILE A 224 7.715 -4.708 -11.903 1.00 71.22 H new ATOM 0 HD12 ILE A 224 7.433 -3.906 -10.339 1.00 71.22 H new ATOM 0 HD13 ILE A 224 8.302 -5.459 -10.399 1.00 71.22 H new ATOM 961 N GLU A 225 3.937 -8.007 -7.371 1.00 64.33 N ATOM 962 CA GLU A 225 3.558 -8.414 -6.027 1.00 65.23 C ATOM 963 C GLU A 225 4.495 -7.837 -4.969 1.00 71.24 C ATOM 964 O GLU A 225 5.705 -7.702 -5.185 1.00 21.23 O ATOM 965 CB GLU A 225 3.594 -9.924 -5.952 1.00 74.32 C ATOM 966 CG GLU A 225 4.977 -10.489 -6.212 1.00 73.23 C ATOM 967 CD GLU A 225 4.965 -11.980 -6.371 1.00 4.55 C ATOM 968 OE1 GLU A 225 4.783 -12.451 -7.512 1.00 65.01 O ATOM 969 OE2 GLU A 225 5.133 -12.704 -5.373 1.00 3.31 O ATOM 0 H GLU A 225 4.121 -8.794 -7.994 1.00 64.33 H new ATOM 0 HA GLU A 225 2.557 -8.034 -5.825 1.00 65.23 H new ATOM 0 HB2 GLU A 225 3.255 -10.243 -4.967 1.00 74.32 H new ATOM 0 HB3 GLU A 225 2.895 -10.337 -6.679 1.00 74.32 H new ATOM 0 HG2 GLU A 225 5.389 -10.034 -7.113 1.00 73.23 H new ATOM 0 HG3 GLU A 225 5.637 -10.220 -5.388 1.00 73.23 H new ATOM 976 N VAL A 226 3.934 -7.489 -3.850 1.00 42.33 N ATOM 977 CA VAL A 226 4.719 -7.003 -2.736 1.00 45.35 C ATOM 978 C VAL A 226 4.588 -7.922 -1.541 1.00 20.22 C ATOM 979 O VAL A 226 5.194 -7.695 -0.501 1.00 33.33 O ATOM 980 CB VAL A 226 4.384 -5.545 -2.348 1.00 15.34 C ATOM 981 CG1 VAL A 226 4.674 -4.616 -3.493 1.00 75.23 C ATOM 982 CG2 VAL A 226 2.951 -5.397 -1.923 1.00 42.02 C ATOM 0 H VAL A 226 2.930 -7.530 -3.676 1.00 42.33 H new ATOM 0 HA VAL A 226 5.757 -7.003 -3.068 1.00 45.35 H new ATOM 0 HB VAL A 226 5.016 -5.282 -1.500 1.00 15.34 H new ATOM 0 HG11 VAL A 226 4.432 -3.594 -3.202 1.00 75.23 H new ATOM 0 HG12 VAL A 226 5.730 -4.679 -3.754 1.00 75.23 H new ATOM 0 HG13 VAL A 226 4.070 -4.901 -4.354 1.00 75.23 H new ATOM 0 HG21 VAL A 226 2.755 -4.358 -1.658 1.00 42.02 H new ATOM 0 HG22 VAL A 226 2.296 -5.692 -2.743 1.00 42.02 H new ATOM 0 HG23 VAL A 226 2.760 -6.034 -1.059 1.00 42.02 H new ATOM 988 N ALA A 227 3.827 -8.983 -1.713 1.00 0.23 N ATOM 989 CA ALA A 227 3.619 -9.939 -0.648 1.00 42.43 C ATOM 990 C ALA A 227 4.830 -10.856 -0.519 1.00 73.13 C ATOM 991 O ALA A 227 4.992 -11.813 -1.283 1.00 61.20 O ATOM 992 CB ALA A 227 2.343 -10.740 -0.877 1.00 22.42 C ATOM 0 H ALA A 227 3.342 -9.204 -2.582 1.00 0.23 H new ATOM 0 HA ALA A 227 3.501 -9.395 0.289 1.00 42.43 H new ATOM 0 HB1 ALA A 227 2.209 -11.452 -0.063 1.00 22.42 H new ATOM 0 HB2 ALA A 227 1.490 -10.063 -0.911 1.00 22.42 H new ATOM 0 HB3 ALA A 227 2.416 -11.279 -1.822 1.00 22.42 H new ATOM 998 N GLY A 228 5.702 -10.525 0.410 1.00 23.33 N ATOM 999 CA GLY A 228 6.905 -11.305 0.621 1.00 31.13 C ATOM 1000 C GLY A 228 8.134 -10.458 0.422 1.00 64.25 C ATOM 1001 O GLY A 228 9.250 -10.843 0.797 1.00 70.14 O ATOM 0 H GLY A 228 5.601 -9.722 1.031 1.00 23.33 H new ATOM 0 HA2 GLY A 228 6.903 -11.719 1.629 1.00 31.13 H new ATOM 0 HA3 GLY A 228 6.923 -12.148 -0.070 1.00 31.13 H new ATOM 1005 N LYS A 229 7.926 -9.311 -0.178 1.00 21.10 N ATOM 1006 CA LYS A 229 8.995 -8.349 -0.412 1.00 72.33 C ATOM 1007 C LYS A 229 9.241 -7.583 0.880 1.00 25.25 C ATOM 1008 O LYS A 229 8.455 -7.699 1.825 1.00 31.42 O ATOM 1009 CB LYS A 229 8.575 -7.360 -1.511 1.00 33.31 C ATOM 1010 CG LYS A 229 8.063 -8.023 -2.778 1.00 11.34 C ATOM 1011 CD LYS A 229 9.110 -8.871 -3.447 1.00 63.21 C ATOM 1012 CE LYS A 229 8.505 -9.660 -4.587 1.00 62.23 C ATOM 1013 NZ LYS A 229 9.513 -10.499 -5.283 1.00 53.22 N ATOM 0 H LYS A 229 7.013 -9.011 -0.521 1.00 21.10 H new ATOM 0 HA LYS A 229 9.899 -8.870 -0.727 1.00 72.33 H new ATOM 0 HB2 LYS A 229 7.798 -6.704 -1.117 1.00 33.31 H new ATOM 0 HB3 LYS A 229 9.428 -6.729 -1.763 1.00 33.31 H new ATOM 0 HG2 LYS A 229 7.199 -8.642 -2.537 1.00 11.34 H new ATOM 0 HG3 LYS A 229 7.722 -7.256 -3.473 1.00 11.34 H new ATOM 0 HD2 LYS A 229 9.914 -8.238 -3.822 1.00 63.21 H new ATOM 0 HD3 LYS A 229 9.553 -9.552 -2.721 1.00 63.21 H new ATOM 0 HE2 LYS A 229 7.707 -10.296 -4.204 1.00 62.23 H new ATOM 0 HE3 LYS A 229 8.050 -8.973 -5.301 1.00 62.23 H new ATOM 0 HZ1 LYS A 229 9.055 -11.022 -6.056 1.00 53.22 H new ATOM 0 HZ2 LYS A 229 10.262 -9.891 -5.672 1.00 53.22 H new ATOM 0 HZ3 LYS A 229 9.929 -11.173 -4.609 1.00 53.22 H new ATOM 1027 N THR A 230 10.297 -6.807 0.938 1.00 21.52 N ATOM 1028 CA THR A 230 10.534 -6.029 2.117 1.00 11.14 C ATOM 1029 C THR A 230 9.931 -4.670 1.918 1.00 45.24 C ATOM 1030 O THR A 230 9.630 -4.280 0.771 1.00 0.13 O ATOM 1031 CB THR A 230 12.034 -5.877 2.430 1.00 53.11 C ATOM 1032 OG1 THR A 230 12.703 -5.228 1.337 1.00 11.54 O ATOM 1033 CG2 THR A 230 12.672 -7.228 2.693 1.00 11.24 C ATOM 0 H THR A 230 10.989 -6.702 0.196 1.00 21.52 H new ATOM 0 HA THR A 230 10.078 -6.547 2.961 1.00 11.14 H new ATOM 0 HB THR A 230 12.134 -5.267 3.328 1.00 53.11 H new ATOM 0 HG1 THR A 230 13.656 -5.134 1.546 1.00 11.54 H new ATOM 0 HG21 THR A 230 13.731 -7.094 2.912 1.00 11.24 H new ATOM 0 HG22 THR A 230 12.183 -7.702 3.544 1.00 11.24 H new ATOM 0 HG23 THR A 230 12.561 -7.861 1.812 1.00 11.24 H new ATOM 1039 N LEU A 231 9.765 -3.935 2.993 1.00 23.40 N ATOM 1040 CA LEU A 231 9.214 -2.609 2.920 1.00 12.41 C ATOM 1041 C LEU A 231 10.190 -1.761 2.085 1.00 61.02 C ATOM 1042 O LEU A 231 9.790 -0.907 1.283 1.00 43.33 O ATOM 1043 CB LEU A 231 9.077 -2.015 4.343 1.00 52.40 C ATOM 1044 CG LEU A 231 7.975 -0.944 4.579 1.00 13.01 C ATOM 1045 CD1 LEU A 231 8.121 -0.288 5.938 1.00 12.12 C ATOM 1046 CD2 LEU A 231 7.916 0.090 3.488 1.00 0.23 C ATOM 0 H LEU A 231 10.008 -4.240 3.936 1.00 23.40 H new ATOM 0 HA LEU A 231 8.224 -2.622 2.464 1.00 12.41 H new ATOM 0 HB2 LEU A 231 8.897 -2.839 5.034 1.00 52.40 H new ATOM 0 HB3 LEU A 231 10.036 -1.574 4.616 1.00 52.40 H new ATOM 0 HG LEU A 231 7.025 -1.479 4.555 1.00 13.01 H new ATOM 0 HD11 LEU A 231 7.335 0.455 6.070 1.00 12.12 H new ATOM 0 HD12 LEU A 231 8.039 -1.045 6.718 1.00 12.12 H new ATOM 0 HD13 LEU A 231 9.094 0.198 6.005 1.00 12.12 H new ATOM 0 HD21 LEU A 231 7.127 0.809 3.710 1.00 0.23 H new ATOM 0 HD22 LEU A 231 8.873 0.608 3.426 1.00 0.23 H new ATOM 0 HD23 LEU A 231 7.705 -0.397 2.536 1.00 0.23 H new ATOM 1054 N ASP A 232 11.466 -2.040 2.256 1.00 55.31 N ATOM 1055 CA ASP A 232 12.508 -1.338 1.543 1.00 44.03 C ATOM 1056 C ASP A 232 12.354 -1.563 0.042 1.00 51.22 C ATOM 1057 O ASP A 232 12.408 -0.608 -0.741 1.00 32.21 O ATOM 1058 CB ASP A 232 13.882 -1.789 2.012 1.00 63.12 C ATOM 1059 CG ASP A 232 14.986 -0.914 1.483 1.00 34.43 C ATOM 1060 OD1 ASP A 232 15.329 0.089 2.162 1.00 21.11 O ATOM 1061 OD2 ASP A 232 15.537 -1.213 0.423 1.00 4.34 O ATOM 0 H ASP A 232 11.808 -2.760 2.893 1.00 55.31 H new ATOM 0 HA ASP A 232 12.415 -0.272 1.751 1.00 44.03 H new ATOM 0 HB2 ASP A 232 13.910 -1.785 3.102 1.00 63.12 H new ATOM 0 HB3 ASP A 232 14.052 -2.817 1.692 1.00 63.12 H new ATOM 1066 N GLN A 233 12.125 -2.825 -0.359 1.00 42.32 N ATOM 1067 CA GLN A 233 11.871 -3.134 -1.762 1.00 74.31 C ATOM 1068 C GLN A 233 10.618 -2.455 -2.286 1.00 53.55 C ATOM 1069 O GLN A 233 10.665 -1.765 -3.298 1.00 42.23 O ATOM 1070 CB GLN A 233 11.807 -4.648 -2.059 1.00 24.40 C ATOM 1071 CG GLN A 233 13.124 -5.286 -2.517 1.00 72.24 C ATOM 1072 CD GLN A 233 14.236 -5.255 -1.506 1.00 63.10 C ATOM 1073 OE1 GLN A 233 15.017 -4.303 -1.449 1.00 4.12 O ATOM 1074 NE2 GLN A 233 14.349 -6.301 -0.736 1.00 0.31 N ATOM 0 H GLN A 233 12.112 -3.632 0.264 1.00 42.32 H new ATOM 0 HA GLN A 233 12.735 -2.733 -2.291 1.00 74.31 H new ATOM 0 HB2 GLN A 233 11.467 -5.163 -1.160 1.00 24.40 H new ATOM 0 HB3 GLN A 233 11.054 -4.818 -2.828 1.00 24.40 H new ATOM 0 HG2 GLN A 233 12.931 -6.324 -2.789 1.00 72.24 H new ATOM 0 HG3 GLN A 233 13.461 -4.777 -3.420 1.00 72.24 H new ATOM 0 HE21 GLN A 233 13.681 -7.067 -0.816 1.00 0.31 H new ATOM 0 HE22 GLN A 233 15.106 -6.353 -0.054 1.00 0.31 H new ATOM 1082 N VAL A 234 9.509 -2.598 -1.565 1.00 24.40 N ATOM 1083 CA VAL A 234 8.214 -2.098 -2.044 1.00 53.52 C ATOM 1084 C VAL A 234 8.200 -0.590 -2.234 1.00 4.02 C ATOM 1085 O VAL A 234 7.575 -0.082 -3.164 1.00 12.34 O ATOM 1086 CB VAL A 234 7.042 -2.520 -1.141 1.00 63.55 C ATOM 1087 CG1 VAL A 234 7.055 -4.000 -0.936 1.00 51.05 C ATOM 1088 CG2 VAL A 234 7.050 -1.799 0.172 1.00 53.51 C ATOM 0 H VAL A 234 9.476 -3.052 -0.652 1.00 24.40 H new ATOM 0 HA VAL A 234 8.077 -2.565 -3.019 1.00 53.52 H new ATOM 0 HB VAL A 234 6.119 -2.241 -1.649 1.00 63.55 H new ATOM 0 HG11 VAL A 234 6.221 -4.286 -0.295 1.00 51.05 H new ATOM 0 HG12 VAL A 234 6.961 -4.502 -1.899 1.00 51.05 H new ATOM 0 HG13 VAL A 234 7.992 -4.294 -0.464 1.00 51.05 H new ATOM 0 HG21 VAL A 234 6.204 -2.130 0.774 1.00 53.51 H new ATOM 0 HG22 VAL A 234 7.979 -2.015 0.700 1.00 53.51 H new ATOM 0 HG23 VAL A 234 6.973 -0.726 -0.002 1.00 53.51 H new ATOM 1094 N THR A 235 8.929 0.108 -1.387 1.00 44.15 N ATOM 1095 CA THR A 235 8.924 1.552 -1.391 1.00 30.13 C ATOM 1096 C THR A 235 9.590 2.049 -2.640 1.00 20.15 C ATOM 1097 O THR A 235 9.118 2.987 -3.281 1.00 33.41 O ATOM 1098 CB THR A 235 9.649 2.149 -0.156 1.00 55.13 C ATOM 1099 OG1 THR A 235 9.059 1.645 1.047 1.00 20.10 O ATOM 1100 CG2 THR A 235 9.527 3.665 -0.154 1.00 4.51 C ATOM 0 H THR A 235 9.537 -0.309 -0.682 1.00 44.15 H new ATOM 0 HA THR A 235 7.884 1.875 -1.353 1.00 30.13 H new ATOM 0 HB THR A 235 10.700 1.864 -0.206 1.00 55.13 H new ATOM 0 HG1 THR A 235 9.432 0.761 1.249 1.00 20.10 H new ATOM 0 HG21 THR A 235 10.040 4.070 0.718 1.00 4.51 H new ATOM 0 HG22 THR A 235 9.979 4.068 -1.061 1.00 4.51 H new ATOM 0 HG23 THR A 235 8.474 3.945 -0.118 1.00 4.51 H new ATOM 1106 N ASP A 236 10.651 1.370 -3.029 1.00 60.25 N ATOM 1107 CA ASP A 236 11.393 1.787 -4.194 1.00 43.04 C ATOM 1108 C ASP A 236 10.564 1.571 -5.430 1.00 71.14 C ATOM 1109 O ASP A 236 10.653 2.335 -6.384 1.00 23.24 O ATOM 1110 CB ASP A 236 12.728 1.060 -4.320 1.00 71.50 C ATOM 1111 CG ASP A 236 13.547 1.570 -5.490 1.00 52.35 C ATOM 1112 OD1 ASP A 236 14.229 2.618 -5.341 1.00 72.44 O ATOM 1113 OD2 ASP A 236 13.531 0.933 -6.577 1.00 54.43 O ATOM 0 H ASP A 236 11.012 0.539 -2.561 1.00 60.25 H new ATOM 0 HA ASP A 236 11.615 2.848 -4.081 1.00 43.04 H new ATOM 0 HB2 ASP A 236 13.297 1.185 -3.398 1.00 71.50 H new ATOM 0 HB3 ASP A 236 12.549 -0.008 -4.442 1.00 71.50 H new ATOM 1118 N MET A 237 9.696 0.557 -5.393 1.00 24.15 N ATOM 1119 CA MET A 237 8.869 0.283 -6.548 1.00 71.41 C ATOM 1120 C MET A 237 7.808 1.363 -6.628 1.00 12.42 C ATOM 1121 O MET A 237 7.482 1.832 -7.679 1.00 73.42 O ATOM 1122 CB MET A 237 8.246 -1.145 -6.530 1.00 11.11 C ATOM 1123 CG MET A 237 9.204 -2.183 -5.898 1.00 24.21 C ATOM 1124 SD MET A 237 9.080 -3.909 -6.510 1.00 64.30 S ATOM 1125 CE MET A 237 7.521 -4.504 -5.844 1.00 50.34 C ATOM 0 H MET A 237 9.556 -0.065 -4.597 1.00 24.15 H new ATOM 0 HA MET A 237 9.492 0.300 -7.442 1.00 71.41 H new ATOM 0 HB2 MET A 237 7.311 -1.126 -5.971 1.00 11.11 H new ATOM 0 HB3 MET A 237 8.003 -1.448 -7.548 1.00 11.11 H new ATOM 0 HG2 MET A 237 10.227 -1.840 -6.055 1.00 24.21 H new ATOM 0 HG3 MET A 237 9.032 -2.192 -4.822 1.00 24.21 H new ATOM 0 HE1 MET A 237 7.687 -5.439 -5.308 1.00 50.34 H new ATOM 0 HE2 MET A 237 7.111 -3.761 -5.160 1.00 50.34 H new ATOM 0 HE3 MET A 237 6.818 -4.674 -6.660 1.00 50.34 H new ATOM 1135 N MET A 238 7.328 1.797 -5.485 1.00 44.00 N ATOM 1136 CA MET A 238 6.343 2.878 -5.425 1.00 74.00 C ATOM 1137 C MET A 238 6.943 4.166 -5.978 1.00 44.22 C ATOM 1138 O MET A 238 6.287 4.904 -6.700 1.00 34.32 O ATOM 1139 CB MET A 238 5.852 3.086 -3.998 1.00 52.52 C ATOM 1140 CG MET A 238 5.182 1.884 -3.420 1.00 22.32 C ATOM 1141 SD MET A 238 4.694 2.127 -1.725 1.00 2.12 S ATOM 1142 CE MET A 238 4.153 0.478 -1.351 1.00 42.12 C ATOM 0 H MET A 238 7.599 1.423 -4.575 1.00 44.00 H new ATOM 0 HA MET A 238 5.486 2.599 -6.039 1.00 74.00 H new ATOM 0 HB2 MET A 238 6.698 3.360 -3.367 1.00 52.52 H new ATOM 0 HB3 MET A 238 5.156 3.925 -3.980 1.00 52.52 H new ATOM 0 HG2 MET A 238 4.303 1.639 -4.017 1.00 22.32 H new ATOM 0 HG3 MET A 238 5.857 1.030 -3.482 1.00 22.32 H new ATOM 0 HE1 MET A 238 3.187 0.517 -0.848 1.00 42.12 H new ATOM 0 HE2 MET A 238 4.058 -0.092 -2.275 1.00 42.12 H new ATOM 0 HE3 MET A 238 4.882 -0.005 -0.700 1.00 42.12 H new ATOM 1152 N VAL A 239 8.210 4.408 -5.653 1.00 44.03 N ATOM 1153 CA VAL A 239 8.930 5.552 -6.170 1.00 25.55 C ATOM 1154 C VAL A 239 9.119 5.402 -7.685 1.00 54.22 C ATOM 1155 O VAL A 239 8.948 6.353 -8.443 1.00 42.32 O ATOM 1156 CB VAL A 239 10.316 5.709 -5.481 1.00 3.44 C ATOM 1157 CG1 VAL A 239 11.070 6.896 -6.043 1.00 3.54 C ATOM 1158 CG2 VAL A 239 10.158 5.857 -3.977 1.00 44.13 C ATOM 0 H VAL A 239 8.757 3.817 -5.028 1.00 44.03 H new ATOM 0 HA VAL A 239 8.344 6.446 -5.957 1.00 25.55 H new ATOM 0 HB VAL A 239 10.891 4.806 -5.685 1.00 3.44 H new ATOM 0 HG11 VAL A 239 12.035 6.983 -5.544 1.00 3.54 H new ATOM 0 HG12 VAL A 239 11.226 6.755 -7.113 1.00 3.54 H new ATOM 0 HG13 VAL A 239 10.493 7.805 -5.877 1.00 3.54 H new ATOM 0 HG21 VAL A 239 11.140 5.965 -3.517 1.00 44.13 H new ATOM 0 HG22 VAL A 239 9.556 6.739 -3.759 1.00 44.13 H new ATOM 0 HG23 VAL A 239 9.664 4.973 -3.574 1.00 44.13 H new ATOM 1164 N ALA A 240 9.432 4.194 -8.115 1.00 13.43 N ATOM 1165 CA ALA A 240 9.636 3.893 -9.532 1.00 44.02 C ATOM 1166 C ALA A 240 8.357 4.041 -10.334 1.00 13.24 C ATOM 1167 O ALA A 240 8.395 4.242 -11.548 1.00 22.25 O ATOM 1168 CB ALA A 240 10.223 2.502 -9.713 1.00 14.40 C ATOM 0 H ALA A 240 9.553 3.391 -7.498 1.00 13.43 H new ATOM 0 HA ALA A 240 10.349 4.623 -9.915 1.00 44.02 H new ATOM 0 HB1 ALA A 240 10.365 2.302 -10.775 1.00 14.40 H new ATOM 0 HB2 ALA A 240 11.183 2.443 -9.201 1.00 14.40 H new ATOM 0 HB3 ALA A 240 9.542 1.762 -9.293 1.00 14.40 H new ATOM 1174 N ASN A 241 7.239 3.954 -9.669 1.00 55.15 N ATOM 1175 CA ASN A 241 5.956 4.111 -10.321 1.00 35.40 C ATOM 1176 C ASN A 241 5.348 5.462 -9.996 1.00 41.23 C ATOM 1177 O ASN A 241 4.171 5.656 -10.143 1.00 34.00 O ATOM 1178 CB ASN A 241 4.981 2.961 -9.981 1.00 15.52 C ATOM 1179 CG ASN A 241 5.478 1.614 -10.465 1.00 65.41 C ATOM 1180 OD1 ASN A 241 5.270 1.264 -11.588 1.00 1.03 O ATOM 1181 ND2 ASN A 241 6.106 0.844 -9.605 1.00 11.02 N ATOM 0 H ASN A 241 7.184 3.774 -8.667 1.00 55.15 H new ATOM 0 HA ASN A 241 6.133 4.065 -11.396 1.00 35.40 H new ATOM 0 HB2 ASN A 241 4.832 2.923 -8.902 1.00 15.52 H new ATOM 0 HB3 ASN A 241 4.010 3.168 -10.430 1.00 15.52 H new ATOM 0 HD21 ASN A 241 6.430 -0.080 -9.890 1.00 11.02 H new ATOM 0 HD22 ASN A 241 6.269 1.170 -8.653 1.00 11.02 H new ATOM 1187 N SER A 242 6.190 6.408 -9.603 1.00 71.12 N ATOM 1188 CA SER A 242 5.752 7.766 -9.233 1.00 53.22 C ATOM 1189 C SER A 242 4.956 8.486 -10.345 1.00 12.32 C ATOM 1190 O SER A 242 4.196 9.384 -10.050 1.00 0.44 O ATOM 1191 CB SER A 242 6.955 8.621 -8.794 1.00 23.20 C ATOM 1192 OG SER A 242 6.566 9.943 -8.416 1.00 11.22 O ATOM 0 H SER A 242 7.197 6.266 -9.528 1.00 71.12 H new ATOM 0 HA SER A 242 5.064 7.644 -8.396 1.00 53.22 H new ATOM 0 HB2 SER A 242 7.456 8.137 -7.955 1.00 23.20 H new ATOM 0 HB3 SER A 242 7.677 8.675 -9.609 1.00 23.20 H new ATOM 0 HG SER A 242 7.358 10.452 -8.143 1.00 11.22 H new ATOM 1198 N SER A 243 5.147 8.110 -11.595 1.00 53.12 N ATOM 1199 CA SER A 243 4.422 8.762 -12.680 1.00 45.44 C ATOM 1200 C SER A 243 2.966 8.235 -12.786 1.00 41.23 C ATOM 1201 O SER A 243 2.089 8.908 -13.329 1.00 64.42 O ATOM 1202 CB SER A 243 5.180 8.577 -13.995 1.00 23.42 C ATOM 1203 OG SER A 243 6.518 9.064 -13.872 1.00 53.21 O ATOM 0 H SER A 243 5.786 7.370 -11.886 1.00 53.12 H new ATOM 0 HA SER A 243 4.358 9.828 -12.463 1.00 45.44 H new ATOM 0 HB2 SER A 243 5.194 7.522 -14.269 1.00 23.42 H new ATOM 0 HB3 SER A 243 4.665 9.107 -14.796 1.00 23.42 H new ATOM 0 HG SER A 243 6.991 8.937 -14.721 1.00 53.21 H new ATOM 1209 N ASN A 244 2.739 7.041 -12.258 1.00 35.24 N ATOM 1210 CA ASN A 244 1.427 6.375 -12.224 1.00 14.04 C ATOM 1211 C ASN A 244 1.527 5.139 -11.365 1.00 51.53 C ATOM 1212 O ASN A 244 1.959 4.066 -11.797 1.00 50.15 O ATOM 1213 CB ASN A 244 0.829 6.081 -13.634 1.00 3.12 C ATOM 1214 CG ASN A 244 1.725 5.266 -14.552 1.00 40.42 C ATOM 1215 OD1 ASN A 244 1.649 4.038 -14.609 1.00 70.51 O ATOM 1216 ND2 ASN A 244 2.565 5.943 -15.290 1.00 71.14 N ATOM 0 H ASN A 244 3.478 6.486 -11.827 1.00 35.24 H new ATOM 0 HA ASN A 244 0.712 7.067 -11.778 1.00 14.04 H new ATOM 0 HB2 ASN A 244 -0.116 5.552 -13.509 1.00 3.12 H new ATOM 0 HB3 ASN A 244 0.601 7.029 -14.121 1.00 3.12 H new ATOM 0 HD21 ASN A 244 3.183 5.455 -15.938 1.00 71.14 H new ATOM 0 HD22 ASN A 244 2.602 6.960 -15.218 1.00 71.14 H new ATOM 1222 N LEU A 245 1.185 5.312 -10.131 1.00 42.15 N ATOM 1223 CA LEU A 245 1.391 4.316 -9.141 1.00 3.40 C ATOM 1224 C LEU A 245 0.162 3.410 -9.044 1.00 33.33 C ATOM 1225 O LEU A 245 -0.867 3.823 -8.574 1.00 42.35 O ATOM 1226 CB LEU A 245 1.629 5.032 -7.803 1.00 13.12 C ATOM 1227 CG LEU A 245 2.433 4.287 -6.742 1.00 61.53 C ATOM 1228 CD1 LEU A 245 2.521 5.081 -5.477 1.00 23.40 C ATOM 1229 CD2 LEU A 245 1.884 2.941 -6.479 1.00 50.20 C ATOM 0 H LEU A 245 0.748 6.164 -9.780 1.00 42.15 H new ATOM 0 HA LEU A 245 2.249 3.694 -9.397 1.00 3.40 H new ATOM 0 HB2 LEU A 245 2.137 5.974 -8.011 1.00 13.12 H new ATOM 0 HB3 LEU A 245 0.657 5.281 -7.376 1.00 13.12 H new ATOM 0 HG LEU A 245 3.441 4.157 -7.136 1.00 61.53 H new ATOM 0 HD11 LEU A 245 3.099 4.526 -4.739 1.00 23.40 H new ATOM 0 HD12 LEU A 245 3.010 6.034 -5.679 1.00 23.40 H new ATOM 0 HD13 LEU A 245 1.518 5.262 -5.091 1.00 23.40 H new ATOM 0 HD21 LEU A 245 2.486 2.445 -5.718 1.00 50.20 H new ATOM 0 HD22 LEU A 245 0.856 3.030 -6.128 1.00 50.20 H new ATOM 0 HD23 LEU A 245 1.905 2.354 -7.397 1.00 50.20 H new ATOM 1237 N ILE A 246 0.277 2.194 -9.485 1.00 50.43 N ATOM 1238 CA ILE A 246 -0.829 1.267 -9.351 1.00 13.40 C ATOM 1239 C ILE A 246 -0.625 0.430 -8.090 1.00 35.10 C ATOM 1240 O ILE A 246 0.345 -0.277 -7.979 1.00 61.14 O ATOM 1241 CB ILE A 246 -0.944 0.314 -10.575 1.00 62.02 C ATOM 1242 CG1 ILE A 246 -1.041 1.117 -11.875 1.00 31.14 C ATOM 1243 CG2 ILE A 246 -2.166 -0.596 -10.424 1.00 41.55 C ATOM 1244 CD1 ILE A 246 -1.054 0.261 -13.130 1.00 54.05 C ATOM 0 H ILE A 246 1.109 1.815 -9.936 1.00 50.43 H new ATOM 0 HA ILE A 246 -1.748 1.849 -9.291 1.00 13.40 H new ATOM 0 HB ILE A 246 -0.047 -0.304 -10.616 1.00 62.02 H new ATOM 0 HG12 ILE A 246 -1.948 1.721 -11.850 1.00 31.14 H new ATOM 0 HG13 ILE A 246 -0.199 1.808 -11.927 1.00 31.14 H new ATOM 0 HG21 ILE A 246 -2.235 -1.258 -11.287 1.00 41.55 H new ATOM 0 HG22 ILE A 246 -2.066 -1.192 -9.517 1.00 41.55 H new ATOM 0 HG23 ILE A 246 -3.068 0.013 -10.361 1.00 41.55 H new ATOM 0 HD11 ILE A 246 -1.124 0.903 -14.008 1.00 54.05 H new ATOM 0 HD12 ILE A 246 -0.136 -0.324 -13.181 1.00 54.05 H new ATOM 0 HD13 ILE A 246 -1.911 -0.412 -13.103 1.00 54.05 H new ATOM 1251 N ILE A 247 -1.505 0.541 -7.153 1.00 54.12 N ATOM 1252 CA ILE A 247 -1.439 -0.265 -5.953 1.00 73.15 C ATOM 1253 C ILE A 247 -2.709 -1.041 -5.746 1.00 32.44 C ATOM 1254 O ILE A 247 -3.814 -0.540 -5.943 1.00 42.43 O ATOM 1255 CB ILE A 247 -1.005 0.532 -4.661 1.00 4.24 C ATOM 1256 CG1 ILE A 247 0.515 0.632 -4.589 1.00 1.25 C ATOM 1257 CG2 ILE A 247 -1.550 -0.083 -3.387 1.00 51.14 C ATOM 1258 CD1 ILE A 247 1.032 1.455 -3.427 1.00 14.41 C ATOM 0 H ILE A 247 -2.293 1.187 -7.185 1.00 54.12 H new ATOM 0 HA ILE A 247 -0.632 -0.979 -6.119 1.00 73.15 H new ATOM 0 HB ILE A 247 -1.433 1.531 -4.743 1.00 4.24 H new ATOM 0 HG12 ILE A 247 0.931 -0.373 -4.520 1.00 1.25 H new ATOM 0 HG13 ILE A 247 0.883 1.066 -5.519 1.00 1.25 H new ATOM 0 HG21 ILE A 247 -1.221 0.505 -2.530 1.00 51.14 H new ATOM 0 HG22 ILE A 247 -2.639 -0.092 -3.424 1.00 51.14 H new ATOM 0 HG23 ILE A 247 -1.182 -1.104 -3.290 1.00 51.14 H new ATOM 0 HD11 ILE A 247 2.122 1.474 -3.451 1.00 14.41 H new ATOM 0 HD12 ILE A 247 0.649 2.473 -3.503 1.00 14.41 H new ATOM 0 HD13 ILE A 247 0.698 1.011 -2.489 1.00 14.41 H new ATOM 1265 N THR A 248 -2.534 -2.269 -5.414 1.00 52.24 N ATOM 1266 CA THR A 248 -3.601 -3.150 -5.142 1.00 42.21 C ATOM 1267 C THR A 248 -3.625 -3.430 -3.656 1.00 23.13 C ATOM 1268 O THR A 248 -2.623 -3.849 -3.104 1.00 61.34 O ATOM 1269 CB THR A 248 -3.350 -4.435 -5.905 1.00 53.35 C ATOM 1270 OG1 THR A 248 -3.151 -4.095 -7.283 1.00 44.13 O ATOM 1271 CG2 THR A 248 -4.508 -5.394 -5.769 1.00 12.05 C ATOM 0 H THR A 248 -1.613 -2.698 -5.322 1.00 52.24 H new ATOM 0 HA THR A 248 -4.556 -2.720 -5.444 1.00 42.21 H new ATOM 0 HB THR A 248 -2.471 -4.934 -5.497 1.00 53.35 H new ATOM 0 HG1 THR A 248 -3.144 -4.912 -7.824 1.00 44.13 H new ATOM 0 HG21 THR A 248 -4.294 -6.305 -6.329 1.00 12.05 H new ATOM 0 HG22 THR A 248 -4.655 -5.640 -4.717 1.00 12.05 H new ATOM 0 HG23 THR A 248 -5.413 -4.930 -6.163 1.00 12.05 H new ATOM 1277 N VAL A 249 -4.740 -3.188 -3.013 1.00 5.12 N ATOM 1278 CA VAL A 249 -4.855 -3.429 -1.584 1.00 54.30 C ATOM 1279 C VAL A 249 -6.136 -4.137 -1.228 1.00 23.43 C ATOM 1280 O VAL A 249 -7.150 -4.051 -1.940 1.00 64.22 O ATOM 1281 CB VAL A 249 -4.785 -2.143 -0.700 1.00 34.51 C ATOM 1282 CG1 VAL A 249 -3.442 -1.436 -0.764 1.00 74.43 C ATOM 1283 CG2 VAL A 249 -5.938 -1.200 -0.998 1.00 71.12 C ATOM 0 H VAL A 249 -5.586 -2.824 -3.451 1.00 5.12 H new ATOM 0 HA VAL A 249 -3.986 -4.050 -1.368 1.00 54.30 H new ATOM 0 HB VAL A 249 -4.888 -2.480 0.331 1.00 34.51 H new ATOM 0 HG11 VAL A 249 -3.465 -0.552 -0.126 1.00 74.43 H new ATOM 0 HG12 VAL A 249 -2.659 -2.111 -0.420 1.00 74.43 H new ATOM 0 HG13 VAL A 249 -3.237 -1.137 -1.792 1.00 74.43 H new ATOM 0 HG21 VAL A 249 -5.858 -0.316 -0.365 1.00 71.12 H new ATOM 0 HG22 VAL A 249 -5.902 -0.901 -2.046 1.00 71.12 H new ATOM 0 HG23 VAL A 249 -6.883 -1.705 -0.797 1.00 71.12 H new ATOM 1289 N LYS A 250 -6.062 -4.844 -0.148 1.00 31.01 N ATOM 1290 CA LYS A 250 -7.189 -5.489 0.486 1.00 5.15 C ATOM 1291 C LYS A 250 -7.215 -5.122 1.931 1.00 22.15 C ATOM 1292 O LYS A 250 -6.178 -5.203 2.604 1.00 33.33 O ATOM 1293 CB LYS A 250 -7.125 -7.008 0.404 1.00 35.31 C ATOM 1294 CG LYS A 250 -5.719 -7.564 0.442 1.00 73.35 C ATOM 1295 CD LYS A 250 -5.672 -8.981 0.986 1.00 13.53 C ATOM 1296 CE LYS A 250 -6.089 -9.026 2.465 1.00 65.14 C ATOM 1297 NZ LYS A 250 -5.227 -8.204 3.320 1.00 12.22 N ATOM 0 H LYS A 250 -5.183 -5.001 0.345 1.00 31.01 H new ATOM 0 HA LYS A 250 -8.081 -5.151 -0.042 1.00 5.15 H new ATOM 0 HB2 LYS A 250 -7.695 -7.431 1.231 1.00 35.31 H new ATOM 0 HB3 LYS A 250 -7.609 -7.333 -0.517 1.00 35.31 H new ATOM 0 HG2 LYS A 250 -5.298 -7.549 -0.563 1.00 73.35 H new ATOM 0 HG3 LYS A 250 -5.093 -6.920 1.059 1.00 73.35 H new ATOM 0 HD2 LYS A 250 -6.333 -9.620 0.400 1.00 13.53 H new ATOM 0 HD3 LYS A 250 -4.664 -9.381 0.878 1.00 13.53 H new ATOM 0 HE2 LYS A 250 -7.120 -8.684 2.558 1.00 65.14 H new ATOM 0 HE3 LYS A 250 -6.063 -10.058 2.815 1.00 65.14 H new ATOM 0 HZ1 LYS A 250 -5.212 -8.600 4.281 1.00 12.22 H new ATOM 0 HZ2 LYS A 250 -4.261 -8.196 2.934 1.00 12.22 H new ATOM 0 HZ3 LYS A 250 -5.595 -7.232 3.352 1.00 12.22 H new ATOM 1311 N PRO A 251 -8.365 -4.733 2.438 1.00 23.43 N ATOM 1312 CA PRO A 251 -8.533 -4.427 3.842 1.00 73.44 C ATOM 1313 C PRO A 251 -8.252 -5.659 4.701 1.00 23.05 C ATOM 1314 O PRO A 251 -8.390 -6.795 4.222 1.00 3.15 O ATOM 1315 CB PRO A 251 -9.998 -3.991 3.967 1.00 50.31 C ATOM 1316 CG PRO A 251 -10.666 -4.516 2.746 1.00 61.15 C ATOM 1317 CD PRO A 251 -9.618 -4.537 1.679 1.00 24.13 C ATOM 0 HA PRO A 251 -7.844 -3.656 4.186 1.00 73.44 H new ATOM 0 HB2 PRO A 251 -10.454 -4.396 4.870 1.00 50.31 H new ATOM 0 HB3 PRO A 251 -10.082 -2.906 4.026 1.00 50.31 H new ATOM 0 HG2 PRO A 251 -11.066 -5.515 2.919 1.00 61.15 H new ATOM 0 HG3 PRO A 251 -11.504 -3.882 2.457 1.00 61.15 H new ATOM 0 HD2 PRO A 251 -9.786 -5.343 0.965 1.00 24.13 H new ATOM 0 HD3 PRO A 251 -9.603 -3.607 1.111 1.00 24.13 H new