USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1136 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 40 TYR OH : rot 180:sc= -0.81 USER MOD Set 1.2: A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 GLN : amide:sc= -3.67! C(o=-4.5!,f=-4.5!) USER MOD Set 2.2: A 107 LYS NZ :NH3+ 180:sc= -0.805 (180deg=-0.788) USER MOD Set 3.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 106 TYR OH : rot 64:sc= 1.95 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 19 THR OG1 : rot 77:sc= 0.101 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 70:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.88) USER MOD Single : A 43 MET CE :methyl 166:sc= -0.193 (180deg=-0.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 57 THR OG1 : rot -30:sc= -0.741 USER MOD Single : A 61 SER OG : rot -68:sc= 0.576 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -53:sc= 0.799 USER MOD Single : A 70 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-3.8!) USER MOD Single : A 75 MET CE :methyl -152:sc= 0 (180deg=-0.000709) USER MOD Single : A 77 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.976 K(o=-0.98,f=-0.027) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.8) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.0375 (180deg=-0.268) USER MOD Single : A 91 MET CE :methyl -109:sc= -2.01 (180deg=-9.26!) USER MOD Single : A 92 LYS NZ :NH3+ 176:sc= 0.00124 (180deg=0.000894) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl -142:sc= 0 (180deg=-0.565) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.73) USER MOD Single : A 108 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.505) USER MOD Single : A 109 GLN : amide:sc= -0.636 K(o=-0.64,f=-1.6!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -1.9! X(o=-1.9!,f=-1.7) USER MOD Single : A 130 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl -163:sc=-0.00516 (180deg=-0.134) USER MOD Single : A 137 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 178 MET CE :methyl -114:sc= 0 (180deg=-2.3!) USER MOD Single : A 180 SER OG : rot -45:sc= 1.28 USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.289 11.871 -14.242 1.00 1.04 N ATOM 123 CA ASP A 12 4.259 12.862 -14.533 1.00 23.42 C ATOM 124 C ASP A 12 4.293 13.996 -13.514 1.00 3.42 C ATOM 125 O ASP A 12 3.901 15.125 -13.812 1.00 21.15 O ATOM 126 CB ASP A 12 2.878 12.206 -14.538 1.00 74.33 C ATOM 127 CG ASP A 12 1.799 13.133 -15.062 1.00 15.14 C ATOM 128 OD1 ASP A 12 1.834 13.466 -16.265 1.00 71.51 O ATOM 129 OD2 ASP A 12 0.918 13.526 -14.268 1.00 62.31 O ATOM 0 HA ASP A 12 4.459 13.279 -15.520 1.00 23.42 H new ATOM 0 HB2 ASP A 12 2.909 11.306 -15.152 1.00 74.33 H new ATOM 0 HB3 ASP A 12 2.624 11.893 -13.525 1.00 74.33 H new ATOM 134 N LYS A 13 4.764 13.690 -12.310 1.00 34.54 N ATOM 135 CA LYS A 13 4.850 14.682 -11.245 1.00 55.44 C ATOM 136 C LYS A 13 5.914 15.728 -11.562 1.00 11.34 C ATOM 137 O LYS A 13 5.660 16.930 -11.484 1.00 53.40 O ATOM 138 CB LYS A 13 5.167 14.004 -9.911 1.00 31.30 C ATOM 139 CG LYS A 13 5.573 14.975 -8.816 1.00 62.11 C ATOM 140 CD LYS A 13 4.832 14.695 -7.520 1.00 13.45 C ATOM 141 CE LYS A 13 4.562 15.976 -6.744 1.00 43.04 C ATOM 142 NZ LYS A 13 3.385 16.712 -7.282 1.00 15.25 N ATOM 0 H LYS A 13 5.093 12.761 -12.047 1.00 34.54 H new ATOM 0 HA LYS A 13 3.884 15.182 -11.169 1.00 55.44 H new ATOM 0 HB2 LYS A 13 4.293 13.443 -9.581 1.00 31.30 H new ATOM 0 HB3 LYS A 13 5.970 13.283 -10.062 1.00 31.30 H new ATOM 0 HG2 LYS A 13 6.647 14.903 -8.645 1.00 62.11 H new ATOM 0 HG3 LYS A 13 5.369 15.996 -9.140 1.00 62.11 H new ATOM 0 HD2 LYS A 13 3.888 14.196 -7.740 1.00 13.45 H new ATOM 0 HD3 LYS A 13 5.418 14.012 -6.905 1.00 13.45 H new ATOM 0 HE2 LYS A 13 4.392 15.736 -5.695 1.00 43.04 H new ATOM 0 HE3 LYS A 13 5.442 16.618 -6.785 1.00 43.04 H new ATOM 0 HZ1 LYS A 13 3.234 17.578 -6.727 1.00 15.25 H new ATOM 0 HZ2 LYS A 13 3.558 16.964 -8.276 1.00 15.25 H new ATOM 0 HZ3 LYS A 13 2.540 16.109 -7.219 1.00 15.25 H new ATOM 156 N VAL A 14 7.106 15.263 -11.920 1.00 25.02 N ATOM 157 CA VAL A 14 8.209 16.158 -12.251 1.00 14.35 C ATOM 158 C VAL A 14 7.852 17.058 -13.429 1.00 35.44 C ATOM 159 O VAL A 14 8.270 18.214 -13.490 1.00 22.12 O ATOM 160 CB VAL A 14 9.489 15.371 -12.589 1.00 53.50 C ATOM 161 CG1 VAL A 14 10.614 16.321 -12.972 1.00 73.11 C ATOM 162 CG2 VAL A 14 9.898 14.492 -11.418 1.00 22.44 C ATOM 0 H VAL A 14 7.333 14.271 -11.988 1.00 25.02 H new ATOM 0 HA VAL A 14 8.392 16.773 -11.370 1.00 14.35 H new ATOM 0 HB VAL A 14 9.284 14.726 -13.443 1.00 53.50 H new ATOM 0 HG11 VAL A 14 11.510 15.747 -13.207 1.00 73.11 H new ATOM 0 HG12 VAL A 14 10.317 16.904 -13.844 1.00 73.11 H new ATOM 0 HG13 VAL A 14 10.822 16.993 -12.140 1.00 73.11 H new ATOM 0 HG21 VAL A 14 10.804 13.943 -11.674 1.00 22.44 H new ATOM 0 HG22 VAL A 14 10.086 15.115 -10.544 1.00 22.44 H new ATOM 0 HG23 VAL A 14 9.097 13.787 -11.195 1.00 22.44 H new ATOM 172 N TYR A 15 7.075 16.519 -14.362 1.00 50.53 N ATOM 173 CA TYR A 15 6.662 17.273 -15.541 1.00 24.44 C ATOM 174 C TYR A 15 5.604 18.310 -15.181 1.00 13.53 C ATOM 175 O TYR A 15 5.388 19.273 -15.916 1.00 41.12 O ATOM 176 CB TYR A 15 6.121 16.326 -16.613 1.00 73.10 C ATOM 177 CG TYR A 15 5.510 17.039 -17.798 1.00 44.32 C ATOM 178 CD1 TYR A 15 4.168 17.396 -17.804 1.00 34.32 C ATOM 179 CD2 TYR A 15 6.277 17.358 -18.912 1.00 63.24 C ATOM 180 CE1 TYR A 15 3.606 18.047 -18.885 1.00 32.22 C ATOM 181 CE2 TYR A 15 5.724 18.010 -19.997 1.00 43.23 C ATOM 182 CZ TYR A 15 4.388 18.352 -19.979 1.00 42.10 C ATOM 183 OH TYR A 15 3.833 19.002 -21.057 1.00 74.13 O ATOM 0 H TYR A 15 6.719 15.564 -14.325 1.00 50.53 H new ATOM 0 HA TYR A 15 7.536 17.794 -15.933 1.00 24.44 H new ATOM 0 HB2 TYR A 15 6.931 15.686 -16.963 1.00 73.10 H new ATOM 0 HB3 TYR A 15 5.371 15.674 -16.165 1.00 73.10 H new ATOM 0 HD1 TYR A 15 3.553 17.160 -16.948 1.00 34.32 H new ATOM 0 HD2 TYR A 15 7.323 17.092 -18.930 1.00 63.24 H new ATOM 0 HE1 TYR A 15 2.560 18.316 -18.873 1.00 32.22 H new ATOM 0 HE2 TYR A 15 6.335 18.251 -20.855 1.00 43.23 H new ATOM 0 HH TYR A 15 4.519 19.143 -21.743 1.00 74.13 H new ATOM 193 N GLU A 16 4.947 18.106 -14.043 1.00 52.32 N ATOM 194 CA GLU A 16 3.910 19.024 -13.585 1.00 63.11 C ATOM 195 C GLU A 16 4.526 20.255 -12.927 1.00 40.52 C ATOM 196 O GLU A 16 4.223 21.388 -13.300 1.00 21.00 O ATOM 197 CB GLU A 16 2.974 18.320 -12.600 1.00 41.42 C ATOM 198 CG GLU A 16 2.063 17.295 -13.253 1.00 54.14 C ATOM 199 CD GLU A 16 0.622 17.763 -13.335 1.00 25.21 C ATOM 200 OE1 GLU A 16 0.073 18.173 -12.291 1.00 74.31 O ATOM 201 OE2 GLU A 16 0.045 17.719 -14.441 1.00 64.33 O ATOM 0 H GLU A 16 5.114 17.314 -13.422 1.00 52.32 H new ATOM 0 HA GLU A 16 3.336 19.346 -14.454 1.00 63.11 H new ATOM 0 HB2 GLU A 16 3.572 17.827 -11.833 1.00 41.42 H new ATOM 0 HB3 GLU A 16 2.362 19.068 -12.095 1.00 41.42 H new ATOM 0 HG2 GLU A 16 2.428 17.077 -14.257 1.00 54.14 H new ATOM 0 HG3 GLU A 16 2.107 16.363 -12.689 1.00 54.14 H new ATOM 208 N ASN A 17 5.392 20.024 -11.946 1.00 11.23 N ATOM 209 CA ASN A 17 6.050 21.114 -11.234 1.00 51.24 C ATOM 210 C ASN A 17 6.730 22.069 -12.211 1.00 55.20 C ATOM 211 O ASN A 17 6.726 23.284 -12.012 1.00 41.11 O ATOM 212 CB ASN A 17 7.079 20.559 -10.247 1.00 54.12 C ATOM 213 CG ASN A 17 6.465 20.221 -8.902 1.00 61.32 C ATOM 214 OD1 ASN A 17 6.391 19.054 -8.517 1.00 72.33 O ATOM 215 ND2 ASN A 17 6.022 21.243 -8.180 1.00 53.23 N ATOM 0 H ASN A 17 5.655 19.092 -11.626 1.00 11.23 H new ATOM 0 HA ASN A 17 5.289 21.666 -10.683 1.00 51.24 H new ATOM 0 HB2 ASN A 17 7.538 19.665 -10.669 1.00 54.12 H new ATOM 0 HB3 ASN A 17 7.875 21.290 -10.107 1.00 54.12 H new ATOM 0 HD21 ASN A 17 5.600 21.077 -7.266 1.00 53.23 H new ATOM 0 HD22 ASN A 17 6.104 22.194 -8.539 1.00 53.23 H new ATOM 222 N VAL A 18 7.312 21.511 -13.268 1.00 33.03 N ATOM 223 CA VAL A 18 7.994 22.312 -14.277 1.00 10.22 C ATOM 224 C VAL A 18 7.059 23.360 -14.871 1.00 23.11 C ATOM 225 O VAL A 18 7.506 24.375 -15.407 1.00 32.13 O ATOM 226 CB VAL A 18 8.548 21.431 -15.412 1.00 41.54 C ATOM 227 CG1 VAL A 18 9.190 22.291 -16.490 1.00 50.35 C ATOM 228 CG2 VAL A 18 9.542 20.419 -14.864 1.00 44.11 C ATOM 0 H VAL A 18 7.325 20.507 -13.447 1.00 33.03 H new ATOM 0 HA VAL A 18 8.824 22.812 -13.777 1.00 10.22 H new ATOM 0 HB VAL A 18 7.719 20.885 -15.862 1.00 41.54 H new ATOM 0 HG11 VAL A 18 9.576 21.651 -17.284 1.00 50.35 H new ATOM 0 HG12 VAL A 18 8.446 22.973 -16.903 1.00 50.35 H new ATOM 0 HG13 VAL A 18 10.009 22.866 -16.057 1.00 50.35 H new ATOM 0 HG21 VAL A 18 9.923 19.805 -15.680 1.00 44.11 H new ATOM 0 HG22 VAL A 18 10.370 20.944 -14.387 1.00 44.11 H new ATOM 0 HG23 VAL A 18 9.046 19.782 -14.132 1.00 44.11 H new ATOM 238 N THR A 19 5.758 23.108 -14.772 1.00 74.13 N ATOM 239 CA THR A 19 4.759 24.028 -15.300 1.00 52.52 C ATOM 240 C THR A 19 4.334 25.044 -14.245 1.00 64.41 C ATOM 241 O THR A 19 4.293 26.245 -14.507 1.00 23.04 O ATOM 242 CB THR A 19 3.512 23.277 -15.804 1.00 21.45 C ATOM 243 OG1 THR A 19 3.883 21.979 -16.283 1.00 51.31 O ATOM 244 CG2 THR A 19 2.822 24.055 -16.913 1.00 41.15 C ATOM 0 H THR A 19 5.371 22.274 -14.331 1.00 74.13 H new ATOM 0 HA THR A 19 5.223 24.549 -16.137 1.00 52.52 H new ATOM 0 HB THR A 19 2.817 23.172 -14.971 1.00 21.45 H new ATOM 0 HG1 THR A 19 4.040 21.382 -15.522 1.00 51.31 H new ATOM 0 HG21 THR A 19 1.945 23.504 -17.252 1.00 41.15 H new ATOM 0 HG22 THR A 19 2.515 25.031 -16.536 1.00 41.15 H new ATOM 0 HG23 THR A 19 3.511 24.189 -17.747 1.00 41.15 H new ATOM 252 N GLY A 20 4.020 24.552 -13.050 1.00 52.23 N ATOM 253 CA GLY A 20 3.603 25.431 -11.973 1.00 62.01 C ATOM 254 C GLY A 20 4.546 26.603 -11.783 1.00 71.33 C ATOM 255 O GLY A 20 4.114 27.756 -11.740 1.00 25.43 O ATOM 0 H GLY A 20 4.047 23.561 -12.809 1.00 52.23 H new ATOM 0 HA2 GLY A 20 2.601 25.805 -12.181 1.00 62.01 H new ATOM 0 HA3 GLY A 20 3.545 24.862 -11.045 1.00 62.01 H new ATOM 259 N LEU A 21 5.836 26.309 -11.668 1.00 43.03 N ATOM 260 CA LEU A 21 6.843 27.347 -11.480 1.00 45.51 C ATOM 261 C LEU A 21 6.794 28.366 -12.615 1.00 22.24 C ATOM 262 O LEU A 21 7.017 29.558 -12.403 1.00 13.01 O ATOM 263 CB LEU A 21 8.238 26.724 -11.399 1.00 41.22 C ATOM 264 CG LEU A 21 8.691 25.932 -12.626 1.00 44.10 C ATOM 265 CD1 LEU A 21 9.479 26.822 -13.575 1.00 1.01 C ATOM 266 CD2 LEU A 21 9.523 24.729 -12.206 1.00 61.25 C ATOM 0 H LEU A 21 6.209 25.360 -11.702 1.00 43.03 H new ATOM 0 HA LEU A 21 6.627 27.862 -10.544 1.00 45.51 H new ATOM 0 HB2 LEU A 21 8.960 27.520 -11.219 1.00 41.22 H new ATOM 0 HB3 LEU A 21 8.269 26.063 -10.533 1.00 41.22 H new ATOM 0 HG LEU A 21 7.806 25.572 -13.150 1.00 44.10 H new ATOM 0 HD11 LEU A 21 9.793 26.241 -14.442 1.00 1.01 H new ATOM 0 HD12 LEU A 21 8.851 27.651 -13.902 1.00 1.01 H new ATOM 0 HD13 LEU A 21 10.358 27.212 -13.062 1.00 1.01 H new ATOM 0 HD21 LEU A 21 9.837 24.177 -13.092 1.00 61.25 H new ATOM 0 HD22 LEU A 21 10.403 25.068 -11.659 1.00 61.25 H new ATOM 0 HD23 LEU A 21 8.926 24.079 -11.566 1.00 61.25 H new ATOM 278 N VAL A 22 6.499 27.888 -13.819 1.00 41.15 N ATOM 279 CA VAL A 22 6.417 28.757 -14.987 1.00 51.03 C ATOM 280 C VAL A 22 5.247 29.727 -14.869 1.00 74.04 C ATOM 281 O VAL A 22 5.426 30.944 -14.925 1.00 31.21 O ATOM 282 CB VAL A 22 6.264 27.941 -16.285 1.00 22.24 C ATOM 283 CG1 VAL A 22 6.064 28.864 -17.476 1.00 52.54 C ATOM 284 CG2 VAL A 22 7.474 27.042 -16.494 1.00 14.14 C ATOM 0 H VAL A 22 6.313 26.904 -14.012 1.00 41.15 H new ATOM 0 HA VAL A 22 7.350 29.320 -15.028 1.00 51.03 H new ATOM 0 HB VAL A 22 5.381 27.309 -16.194 1.00 22.24 H new ATOM 0 HG11 VAL A 22 5.958 28.269 -18.383 1.00 52.54 H new ATOM 0 HG12 VAL A 22 5.165 29.461 -17.326 1.00 52.54 H new ATOM 0 HG13 VAL A 22 6.926 29.524 -17.574 1.00 52.54 H new ATOM 0 HG21 VAL A 22 7.350 26.473 -17.415 1.00 14.14 H new ATOM 0 HG22 VAL A 22 8.374 27.653 -16.564 1.00 14.14 H new ATOM 0 HG23 VAL A 22 7.567 26.355 -15.653 1.00 14.14 H new ATOM 294 N LYS A 23 4.047 29.180 -14.706 1.00 14.43 N ATOM 295 CA LYS A 23 2.845 29.996 -14.578 1.00 11.13 C ATOM 296 C LYS A 23 2.971 30.971 -13.412 1.00 12.34 C ATOM 297 O LYS A 23 2.326 32.019 -13.394 1.00 74.01 O ATOM 298 CB LYS A 23 1.617 29.104 -14.380 1.00 50.32 C ATOM 299 CG LYS A 23 1.623 28.343 -13.066 1.00 11.53 C ATOM 300 CD LYS A 23 0.245 27.797 -12.731 1.00 40.23 C ATOM 301 CE LYS A 23 -0.380 28.540 -11.560 1.00 50.25 C ATOM 302 NZ LYS A 23 -1.864 28.601 -11.671 1.00 2.22 N ATOM 0 H LYS A 23 3.881 28.175 -14.659 1.00 14.43 H new ATOM 0 HA LYS A 23 2.726 30.570 -15.497 1.00 11.13 H new ATOM 0 HB2 LYS A 23 0.719 29.720 -14.429 1.00 50.32 H new ATOM 0 HB3 LYS A 23 1.560 28.391 -15.203 1.00 50.32 H new ATOM 0 HG2 LYS A 23 2.337 27.521 -13.124 1.00 11.53 H new ATOM 0 HG3 LYS A 23 1.959 29.001 -12.265 1.00 11.53 H new ATOM 0 HD2 LYS A 23 -0.403 27.881 -13.604 1.00 40.23 H new ATOM 0 HD3 LYS A 23 0.321 26.736 -12.491 1.00 40.23 H new ATOM 0 HE2 LYS A 23 -0.105 28.046 -10.628 1.00 50.25 H new ATOM 0 HE3 LYS A 23 0.023 29.552 -11.515 1.00 50.25 H new ATOM 0 HZ1 LYS A 23 -2.252 29.115 -10.855 1.00 2.22 H new ATOM 0 HZ2 LYS A 23 -2.127 29.095 -12.548 1.00 2.22 H new ATOM 0 HZ3 LYS A 23 -2.251 27.636 -11.688 1.00 2.22 H new ATOM 316 N ALA A 24 3.807 30.620 -12.440 1.00 72.00 N ATOM 317 CA ALA A 24 4.020 31.466 -11.272 1.00 53.13 C ATOM 318 C ALA A 24 4.738 32.756 -11.653 1.00 14.50 C ATOM 319 O ALA A 24 4.333 33.846 -11.248 1.00 5.44 O ATOM 320 CB ALA A 24 4.810 30.713 -10.212 1.00 53.31 C ATOM 0 H ALA A 24 4.348 29.755 -12.438 1.00 72.00 H new ATOM 0 HA ALA A 24 3.045 31.731 -10.863 1.00 53.13 H new ATOM 0 HB1 ALA A 24 4.962 31.357 -9.346 1.00 53.31 H new ATOM 0 HB2 ALA A 24 4.258 29.823 -9.911 1.00 53.31 H new ATOM 0 HB3 ALA A 24 5.777 30.419 -10.619 1.00 53.31 H new ATOM 326 N VAL A 25 5.805 32.626 -12.434 1.00 24.01 N ATOM 327 CA VAL A 25 6.580 33.782 -12.870 1.00 13.04 C ATOM 328 C VAL A 25 5.721 34.743 -13.684 1.00 1.44 C ATOM 329 O VAL A 25 6.020 35.934 -13.774 1.00 4.53 O ATOM 330 CB VAL A 25 7.796 33.357 -13.713 1.00 41.15 C ATOM 331 CG1 VAL A 25 8.610 34.573 -14.128 1.00 0.53 C ATOM 332 CG2 VAL A 25 8.657 32.366 -12.945 1.00 71.32 C ATOM 0 H VAL A 25 6.153 31.731 -12.778 1.00 24.01 H new ATOM 0 HA VAL A 25 6.931 34.286 -11.970 1.00 13.04 H new ATOM 0 HB VAL A 25 7.435 32.866 -14.617 1.00 41.15 H new ATOM 0 HG11 VAL A 25 9.465 34.253 -14.723 1.00 0.53 H new ATOM 0 HG12 VAL A 25 7.987 35.243 -14.720 1.00 0.53 H new ATOM 0 HG13 VAL A 25 8.962 35.096 -13.239 1.00 0.53 H new ATOM 0 HG21 VAL A 25 9.512 32.077 -13.556 1.00 71.32 H new ATOM 0 HG22 VAL A 25 9.010 32.829 -12.023 1.00 71.32 H new ATOM 0 HG23 VAL A 25 8.067 31.482 -12.704 1.00 71.32 H new ATOM 342 N ILE A 26 4.653 34.219 -14.274 1.00 72.32 N ATOM 343 CA ILE A 26 3.750 35.031 -15.080 1.00 14.13 C ATOM 344 C ILE A 26 2.819 35.857 -14.198 1.00 31.20 C ATOM 345 O ILE A 26 2.689 37.067 -14.379 1.00 24.04 O ATOM 346 CB ILE A 26 2.903 34.161 -16.027 1.00 33.42 C ATOM 347 CG1 ILE A 26 3.798 33.193 -16.803 1.00 24.33 C ATOM 348 CG2 ILE A 26 2.108 35.037 -16.983 1.00 13.22 C ATOM 349 CD1 ILE A 26 4.772 33.883 -17.732 1.00 52.41 C ATOM 0 H ILE A 26 4.391 33.235 -14.209 1.00 72.32 H new ATOM 0 HA ILE A 26 4.373 35.700 -15.674 1.00 14.13 H new ATOM 0 HB ILE A 26 2.201 33.579 -15.430 1.00 33.42 H new ATOM 0 HG12 ILE A 26 4.356 32.580 -16.095 1.00 24.33 H new ATOM 0 HG13 ILE A 26 3.170 32.517 -17.384 1.00 24.33 H new ATOM 0 HG21 ILE A 26 1.515 34.407 -17.646 1.00 13.22 H new ATOM 0 HG22 ILE A 26 1.446 35.689 -16.414 1.00 13.22 H new ATOM 0 HG23 ILE A 26 2.793 35.643 -17.576 1.00 13.22 H new ATOM 0 HD11 ILE A 26 5.374 33.135 -18.249 1.00 52.41 H new ATOM 0 HD12 ILE A 26 4.221 34.474 -18.463 1.00 52.41 H new ATOM 0 HD13 ILE A 26 5.425 34.538 -17.154 1.00 52.41 H new ATOM 361 N GLU A 27 2.175 35.194 -13.243 1.00 34.42 N ATOM 362 CA GLU A 27 1.256 35.867 -12.332 1.00 45.41 C ATOM 363 C GLU A 27 1.916 37.090 -11.701 1.00 52.52 C ATOM 364 O GLU A 27 1.443 38.215 -11.862 1.00 2.33 O ATOM 365 CB GLU A 27 0.790 34.905 -11.238 1.00 71.31 C ATOM 366 CG GLU A 27 -0.652 34.453 -11.399 1.00 62.13 C ATOM 367 CD GLU A 27 -1.638 35.601 -11.300 1.00 25.24 C ATOM 368 OE1 GLU A 27 -2.080 35.907 -10.173 1.00 55.11 O ATOM 369 OE2 GLU A 27 -1.966 36.193 -12.349 1.00 44.01 O ATOM 0 H GLU A 27 2.272 34.192 -13.080 1.00 34.42 H new ATOM 0 HA GLU A 27 0.391 36.197 -12.907 1.00 45.41 H new ATOM 0 HB2 GLU A 27 1.438 34.029 -11.236 1.00 71.31 H new ATOM 0 HB3 GLU A 27 0.904 35.389 -10.268 1.00 71.31 H new ATOM 0 HG2 GLU A 27 -0.769 33.961 -12.365 1.00 62.13 H new ATOM 0 HG3 GLU A 27 -0.884 33.712 -10.634 1.00 62.13 H new ATOM 376 N MET A 28 3.010 36.861 -10.983 1.00 20.13 N ATOM 377 CA MET A 28 3.735 37.944 -10.328 1.00 31.31 C ATOM 378 C MET A 28 4.166 39.000 -11.341 1.00 34.03 C ATOM 379 O MET A 28 4.046 40.199 -11.090 1.00 12.11 O ATOM 380 CB MET A 28 4.960 37.395 -9.593 1.00 53.15 C ATOM 381 CG MET A 28 5.899 36.602 -10.487 1.00 44.01 C ATOM 382 SD MET A 28 7.115 35.656 -9.550 1.00 62.33 S ATOM 383 CE MET A 28 8.233 36.957 -9.035 1.00 31.12 C ATOM 0 H MET A 28 3.414 35.936 -10.840 1.00 20.13 H new ATOM 0 HA MET A 28 3.066 38.411 -9.605 1.00 31.31 H new ATOM 0 HB2 MET A 28 5.509 38.225 -9.148 1.00 53.15 H new ATOM 0 HB3 MET A 28 4.627 36.758 -8.774 1.00 53.15 H new ATOM 0 HG2 MET A 28 5.316 35.922 -11.108 1.00 44.01 H new ATOM 0 HG3 MET A 28 6.416 37.285 -11.161 1.00 44.01 H new ATOM 0 HE1 MET A 28 9.042 36.528 -8.444 1.00 31.12 H new ATOM 0 HE2 MET A 28 8.648 37.450 -9.914 1.00 31.12 H new ATOM 0 HE3 MET A 28 7.690 37.686 -8.433 1.00 31.12 H new ATOM 393 N SER A 29 4.668 38.547 -12.485 1.00 35.51 N ATOM 394 CA SER A 29 5.120 39.453 -13.534 1.00 11.03 C ATOM 395 C SER A 29 3.975 40.337 -14.018 1.00 41.44 C ATOM 396 O SER A 29 4.199 41.385 -14.624 1.00 1.40 O ATOM 397 CB SER A 29 5.699 38.661 -14.707 1.00 63.41 C ATOM 398 OG SER A 29 5.855 39.483 -15.851 1.00 34.13 O ATOM 0 H SER A 29 4.772 37.557 -12.709 1.00 35.51 H new ATOM 0 HA SER A 29 5.899 40.092 -13.117 1.00 11.03 H new ATOM 0 HB2 SER A 29 6.664 38.239 -14.424 1.00 63.41 H new ATOM 0 HB3 SER A 29 5.042 37.824 -14.944 1.00 63.41 H new ATOM 0 HG SER A 29 6.228 38.953 -16.586 1.00 34.13 H new ATOM 404 N SER A 30 2.747 39.907 -13.747 1.00 62.42 N ATOM 405 CA SER A 30 1.566 40.656 -14.158 1.00 51.14 C ATOM 406 C SER A 30 1.322 41.839 -13.227 1.00 12.42 C ATOM 407 O SER A 30 1.308 42.992 -13.658 1.00 45.43 O ATOM 408 CB SER A 30 0.338 39.744 -14.176 1.00 13.15 C ATOM 409 OG SER A 30 0.607 38.539 -14.870 1.00 61.15 O ATOM 0 H SER A 30 2.544 39.043 -13.244 1.00 62.42 H new ATOM 0 HA SER A 30 1.740 41.038 -15.164 1.00 51.14 H new ATOM 0 HB2 SER A 30 0.034 39.518 -13.154 1.00 13.15 H new ATOM 0 HB3 SER A 30 -0.496 40.262 -14.650 1.00 13.15 H new ATOM 0 HG SER A 30 1.227 37.991 -14.346 1.00 61.15 H new ATOM 415 N LYS A 31 1.129 41.545 -11.945 1.00 52.45 N ATOM 416 CA LYS A 31 0.886 42.583 -10.950 1.00 61.21 C ATOM 417 C LYS A 31 2.167 42.923 -10.196 1.00 3.25 C ATOM 418 O LYS A 31 2.126 43.313 -9.028 1.00 41.12 O ATOM 419 CB LYS A 31 -0.194 42.130 -9.965 1.00 3.34 C ATOM 420 CG LYS A 31 0.076 40.768 -9.350 1.00 23.12 C ATOM 421 CD LYS A 31 -0.809 40.516 -8.141 1.00 54.21 C ATOM 422 CE LYS A 31 -0.262 39.394 -7.273 1.00 5.03 C ATOM 423 NZ LYS A 31 -0.416 38.063 -7.923 1.00 50.41 N ATOM 0 H LYS A 31 1.136 40.596 -11.571 1.00 52.45 H new ATOM 0 HA LYS A 31 0.543 43.478 -11.470 1.00 61.21 H new ATOM 0 HB2 LYS A 31 -0.280 42.869 -9.168 1.00 3.34 H new ATOM 0 HB3 LYS A 31 -1.155 42.103 -10.479 1.00 3.34 H new ATOM 0 HG2 LYS A 31 -0.095 39.991 -10.095 1.00 23.12 H new ATOM 0 HG3 LYS A 31 1.123 40.702 -9.055 1.00 23.12 H new ATOM 0 HD2 LYS A 31 -0.888 41.429 -7.550 1.00 54.21 H new ATOM 0 HD3 LYS A 31 -1.816 40.263 -8.473 1.00 54.21 H new ATOM 0 HE2 LYS A 31 0.792 39.577 -7.065 1.00 5.03 H new ATOM 0 HE3 LYS A 31 -0.780 39.392 -6.314 1.00 5.03 H new ATOM 0 HZ1 LYS A 31 -0.031 37.325 -7.299 1.00 50.41 H new ATOM 0 HZ2 LYS A 31 -1.424 37.877 -8.098 1.00 50.41 H new ATOM 0 HZ3 LYS A 31 0.099 38.056 -8.826 1.00 50.41 H new ATOM 437 N ILE A 32 3.303 42.775 -10.870 1.00 33.24 N ATOM 438 CA ILE A 32 4.595 43.069 -10.263 1.00 11.32 C ATOM 439 C ILE A 32 4.680 44.530 -9.833 1.00 64.12 C ATOM 440 O ILE A 32 5.203 44.842 -8.764 1.00 3.40 O ATOM 441 CB ILE A 32 5.754 42.761 -11.229 1.00 51.31 C ATOM 442 CG1 ILE A 32 7.094 43.116 -10.582 1.00 42.20 C ATOM 443 CG2 ILE A 32 5.572 43.522 -12.534 1.00 73.21 C ATOM 444 CD1 ILE A 32 8.064 41.957 -10.526 1.00 60.30 C ATOM 0 H ILE A 32 3.354 42.453 -11.837 1.00 33.24 H new ATOM 0 HA ILE A 32 4.685 42.429 -9.386 1.00 11.32 H new ATOM 0 HB ILE A 32 5.750 41.694 -11.450 1.00 51.31 H new ATOM 0 HG12 ILE A 32 7.551 43.935 -11.138 1.00 42.20 H new ATOM 0 HG13 ILE A 32 6.915 43.478 -9.570 1.00 42.20 H new ATOM 0 HG21 ILE A 32 6.399 43.294 -13.206 1.00 73.21 H new ATOM 0 HG22 ILE A 32 4.633 43.225 -13.000 1.00 73.21 H new ATOM 0 HG23 ILE A 32 5.554 44.593 -12.331 1.00 73.21 H new ATOM 0 HD11 ILE A 32 8.992 42.282 -10.055 1.00 60.30 H new ATOM 0 HD12 ILE A 32 7.627 41.145 -9.945 1.00 60.30 H new ATOM 0 HD13 ILE A 32 8.273 41.608 -11.537 1.00 60.30 H new ATOM 456 N GLN A 33 4.162 45.419 -10.674 1.00 14.55 N ATOM 457 CA GLN A 33 4.179 46.848 -10.380 1.00 34.43 C ATOM 458 C GLN A 33 3.392 47.151 -9.109 1.00 54.31 C ATOM 459 O GLN A 33 3.928 47.658 -8.123 1.00 62.54 O ATOM 460 CB GLN A 33 3.599 47.638 -11.554 1.00 1.20 C ATOM 461 CG GLN A 33 4.637 48.452 -12.311 1.00 34.33 C ATOM 462 CD GLN A 33 4.400 48.451 -13.808 1.00 53.51 C ATOM 463 OE1 GLN A 33 4.004 47.438 -14.386 1.00 10.45 O ATOM 464 NE2 GLN A 33 4.641 49.591 -14.446 1.00 71.21 N ATOM 0 H GLN A 33 3.726 45.176 -11.563 1.00 14.55 H new ATOM 0 HA GLN A 33 5.215 47.150 -10.225 1.00 34.43 H new ATOM 0 HB2 GLN A 33 3.118 46.946 -12.245 1.00 1.20 H new ATOM 0 HB3 GLN A 33 2.824 48.308 -11.183 1.00 1.20 H new ATOM 0 HG2 GLN A 33 4.625 49.479 -11.946 1.00 34.33 H new ATOM 0 HG3 GLN A 33 5.629 48.051 -12.104 1.00 34.33 H new ATOM 0 HE21 GLN A 33 4.968 50.406 -13.928 1.00 71.21 H new ATOM 0 HE22 GLN A 33 4.499 49.651 -15.454 1.00 71.21 H new ATOM 473 N PRO A 34 2.088 46.836 -9.130 1.00 40.03 N ATOM 474 CA PRO A 34 1.199 47.066 -7.988 1.00 2.44 C ATOM 475 C PRO A 34 1.505 46.137 -6.818 1.00 65.33 C ATOM 476 O PRO A 34 0.944 46.283 -5.733 1.00 43.50 O ATOM 477 CB PRO A 34 -0.192 46.772 -8.555 1.00 24.31 C ATOM 478 CG PRO A 34 0.052 45.837 -9.689 1.00 21.21 C ATOM 479 CD PRO A 34 1.382 46.230 -10.271 1.00 75.13 C ATOM 0 HA PRO A 34 1.306 48.073 -7.586 1.00 2.44 H new ATOM 0 HB2 PRO A 34 -0.839 46.322 -7.803 1.00 24.31 H new ATOM 0 HB3 PRO A 34 -0.683 47.685 -8.893 1.00 24.31 H new ATOM 0 HG2 PRO A 34 0.067 44.803 -9.346 1.00 21.21 H new ATOM 0 HG3 PRO A 34 -0.739 45.914 -10.435 1.00 21.21 H new ATOM 0 HD2 PRO A 34 1.920 45.367 -10.664 1.00 75.13 H new ATOM 0 HD3 PRO A 34 1.268 46.936 -11.094 1.00 75.13 H new ATOM 487 N ALA A 35 2.399 45.180 -7.047 1.00 43.23 N ATOM 488 CA ALA A 35 2.782 44.228 -6.012 1.00 13.32 C ATOM 489 C ALA A 35 3.095 44.940 -4.700 1.00 40.32 C ATOM 490 O ALA A 35 4.125 45.599 -4.554 1.00 21.30 O ATOM 491 CB ALA A 35 3.978 43.406 -6.467 1.00 20.32 C ATOM 0 H ALA A 35 2.871 45.044 -7.941 1.00 43.23 H new ATOM 0 HA ALA A 35 1.940 43.558 -5.840 1.00 13.32 H new ATOM 0 HB1 ALA A 35 4.253 42.699 -5.684 1.00 20.32 H new ATOM 0 HB2 ALA A 35 3.720 42.860 -7.374 1.00 20.32 H new ATOM 0 HB3 ALA A 35 4.819 44.069 -6.669 1.00 20.32 H new ATOM 497 N PRO A 36 2.187 44.808 -3.722 1.00 74.23 N ATOM 498 CA PRO A 36 2.344 45.432 -2.405 1.00 64.13 C ATOM 499 C PRO A 36 3.461 44.789 -1.589 1.00 52.23 C ATOM 500 O PRO A 36 3.988 43.733 -1.938 1.00 62.20 O ATOM 501 CB PRO A 36 0.988 45.195 -1.736 1.00 4.22 C ATOM 502 CG PRO A 36 0.440 43.984 -2.408 1.00 63.01 C ATOM 503 CD PRO A 36 0.936 44.038 -3.827 1.00 33.12 C ATOM 0 HA PRO A 36 2.618 46.484 -2.482 1.00 64.13 H new ATOM 0 HB2 PRO A 36 1.098 45.037 -0.663 1.00 4.22 H new ATOM 0 HB3 PRO A 36 0.328 46.052 -1.865 1.00 4.22 H new ATOM 0 HG2 PRO A 36 0.778 43.075 -1.911 1.00 63.01 H new ATOM 0 HG3 PRO A 36 -0.649 43.979 -2.375 1.00 63.01 H new ATOM 0 HD2 PRO A 36 1.111 43.040 -4.230 1.00 33.12 H new ATOM 0 HD3 PRO A 36 0.218 44.526 -4.486 1.00 33.12 H new ATOM 511 N PRO A 37 3.831 45.439 -0.476 1.00 13.40 N ATOM 512 CA PRO A 37 4.888 44.948 0.413 1.00 14.53 C ATOM 513 C PRO A 37 4.472 43.691 1.168 1.00 31.45 C ATOM 514 O PRO A 37 5.317 42.941 1.656 1.00 63.04 O ATOM 515 CB PRO A 37 5.101 46.111 1.387 1.00 74.45 C ATOM 516 CG PRO A 37 3.804 46.845 1.390 1.00 62.44 C ATOM 517 CD PRO A 37 3.245 46.704 0.001 1.00 63.33 C ATOM 0 HA PRO A 37 5.785 44.665 -0.138 1.00 14.53 H new ATOM 0 HB2 PRO A 37 5.354 45.751 2.384 1.00 74.45 H new ATOM 0 HB3 PRO A 37 5.919 46.754 1.063 1.00 74.45 H new ATOM 0 HG2 PRO A 37 3.121 46.427 2.130 1.00 62.44 H new ATOM 0 HG3 PRO A 37 3.950 47.894 1.647 1.00 62.44 H new ATOM 0 HD2 PRO A 37 2.156 46.665 0.008 1.00 63.33 H new ATOM 0 HD3 PRO A 37 3.529 47.543 -0.634 1.00 63.33 H new ATOM 525 N GLU A 38 3.165 43.466 1.261 1.00 51.10 N ATOM 526 CA GLU A 38 2.639 42.298 1.958 1.00 55.33 C ATOM 527 C GLU A 38 2.568 41.093 1.024 1.00 43.42 C ATOM 528 O GLU A 38 2.495 39.951 1.474 1.00 73.42 O ATOM 529 CB GLU A 38 1.250 42.599 2.526 1.00 71.32 C ATOM 530 CG GLU A 38 1.016 42.009 3.906 1.00 24.54 C ATOM 531 CD GLU A 38 -0.083 42.723 4.668 1.00 75.33 C ATOM 532 OE1 GLU A 38 -0.407 43.873 4.305 1.00 63.23 O ATOM 533 OE2 GLU A 38 -0.621 42.130 5.627 1.00 51.41 O ATOM 0 H GLU A 38 2.452 44.077 0.863 1.00 51.10 H new ATOM 0 HA GLU A 38 3.316 42.061 2.778 1.00 55.33 H new ATOM 0 HB2 GLU A 38 1.113 43.679 2.574 1.00 71.32 H new ATOM 0 HB3 GLU A 38 0.495 42.212 1.842 1.00 71.32 H new ATOM 0 HG2 GLU A 38 0.758 40.955 3.807 1.00 24.54 H new ATOM 0 HG3 GLU A 38 1.942 42.058 4.480 1.00 24.54 H new ATOM 540 N GLU A 39 2.591 41.359 -0.279 1.00 0.45 N ATOM 541 CA GLU A 39 2.528 40.297 -1.276 1.00 4.24 C ATOM 542 C GLU A 39 3.927 39.803 -1.633 1.00 24.04 C ATOM 543 O GLU A 39 4.087 38.749 -2.248 1.00 72.24 O ATOM 544 CB GLU A 39 1.813 40.791 -2.535 1.00 22.11 C ATOM 545 CG GLU A 39 1.720 39.744 -3.632 1.00 33.31 C ATOM 546 CD GLU A 39 1.103 38.446 -3.148 1.00 70.41 C ATOM 547 OE1 GLU A 39 0.313 38.489 -2.182 1.00 75.11 O ATOM 548 OE2 GLU A 39 1.411 37.387 -3.735 1.00 15.13 O ATOM 0 H GLU A 39 2.653 42.300 -0.668 1.00 0.45 H new ATOM 0 HA GLU A 39 1.966 39.466 -0.850 1.00 4.24 H new ATOM 0 HB2 GLU A 39 0.807 41.116 -2.268 1.00 22.11 H new ATOM 0 HB3 GLU A 39 2.338 41.665 -2.922 1.00 22.11 H new ATOM 0 HG2 GLU A 39 1.127 40.139 -4.457 1.00 33.31 H new ATOM 0 HG3 GLU A 39 2.717 39.544 -4.024 1.00 33.31 H new ATOM 555 N TYR A 40 4.937 40.572 -1.242 1.00 44.21 N ATOM 556 CA TYR A 40 6.323 40.215 -1.523 1.00 50.20 C ATOM 557 C TYR A 40 6.804 39.116 -0.580 1.00 43.45 C ATOM 558 O TYR A 40 7.660 38.307 -0.938 1.00 30.54 O ATOM 559 CB TYR A 40 7.224 41.444 -1.394 1.00 44.20 C ATOM 560 CG TYR A 40 7.988 41.770 -2.658 1.00 2.35 C ATOM 561 CD1 TYR A 40 7.339 41.849 -3.884 1.00 4.42 C ATOM 562 CD2 TYR A 40 9.358 41.998 -2.626 1.00 3.14 C ATOM 563 CE1 TYR A 40 8.033 42.146 -5.041 1.00 40.31 C ATOM 564 CE2 TYR A 40 10.060 42.297 -3.777 1.00 53.15 C ATOM 565 CZ TYR A 40 9.393 42.370 -4.983 1.00 32.23 C ATOM 566 OH TYR A 40 10.088 42.666 -6.133 1.00 22.14 O ATOM 0 H TYR A 40 4.822 41.446 -0.730 1.00 44.21 H new ATOM 0 HA TYR A 40 6.375 39.840 -2.545 1.00 50.20 H new ATOM 0 HB2 TYR A 40 6.614 42.304 -1.116 1.00 44.20 H new ATOM 0 HB3 TYR A 40 7.933 41.281 -0.583 1.00 44.20 H new ATOM 0 HD1 TYR A 40 6.274 41.675 -3.933 1.00 4.42 H new ATOM 0 HD2 TYR A 40 9.883 41.940 -1.684 1.00 3.14 H new ATOM 0 HE1 TYR A 40 7.513 42.203 -5.986 1.00 40.31 H new ATOM 0 HE2 TYR A 40 11.125 42.473 -3.734 1.00 53.15 H new ATOM 0 HH TYR A 40 11.035 42.796 -5.918 1.00 22.14 H new ATOM 576 N VAL A 41 6.247 39.095 0.626 1.00 30.32 N ATOM 577 CA VAL A 41 6.617 38.095 1.621 1.00 14.12 C ATOM 578 C VAL A 41 6.311 36.686 1.125 1.00 41.43 C ATOM 579 O VAL A 41 7.188 35.826 1.043 1.00 3.40 O ATOM 580 CB VAL A 41 5.879 38.329 2.953 1.00 42.40 C ATOM 581 CG1 VAL A 41 5.644 37.010 3.672 1.00 15.13 C ATOM 582 CG2 VAL A 41 6.661 39.293 3.832 1.00 5.32 C ATOM 0 H VAL A 41 5.538 39.759 0.938 1.00 30.32 H new ATOM 0 HA VAL A 41 7.690 38.194 1.785 1.00 14.12 H new ATOM 0 HB VAL A 41 4.908 38.775 2.737 1.00 42.40 H new ATOM 0 HG11 VAL A 41 5.122 37.195 4.611 1.00 15.13 H new ATOM 0 HG12 VAL A 41 5.040 36.356 3.044 1.00 15.13 H new ATOM 0 HG13 VAL A 41 6.602 36.532 3.878 1.00 15.13 H new ATOM 0 HG21 VAL A 41 6.126 39.447 4.769 1.00 5.32 H new ATOM 0 HG22 VAL A 41 7.646 38.877 4.041 1.00 5.32 H new ATOM 0 HG23 VAL A 41 6.772 40.247 3.316 1.00 5.32 H new ATOM 592 N PRO A 42 5.037 36.442 0.784 1.00 10.50 N ATOM 593 CA PRO A 42 4.586 35.139 0.288 1.00 32.23 C ATOM 594 C PRO A 42 5.120 34.832 -1.107 1.00 2.54 C ATOM 595 O PRO A 42 5.334 33.673 -1.459 1.00 21.25 O ATOM 596 CB PRO A 42 3.062 35.279 0.258 1.00 32.22 C ATOM 597 CG PRO A 42 2.818 36.742 0.118 1.00 65.24 C ATOM 598 CD PRO A 42 3.939 37.421 0.856 1.00 73.20 C ATOM 0 HA PRO A 42 4.941 34.320 0.914 1.00 32.23 H new ATOM 0 HB2 PRO A 42 2.630 34.724 -0.575 1.00 32.22 H new ATOM 0 HB3 PRO A 42 2.611 34.888 1.170 1.00 32.22 H new ATOM 0 HG2 PRO A 42 2.806 37.037 -0.931 1.00 65.24 H new ATOM 0 HG3 PRO A 42 1.851 37.018 0.538 1.00 65.24 H new ATOM 0 HD2 PRO A 42 4.213 38.367 0.389 1.00 73.20 H new ATOM 0 HD3 PRO A 42 3.665 37.642 1.888 1.00 73.20 H new ATOM 606 N MET A 43 5.334 35.880 -1.897 1.00 21.35 N ATOM 607 CA MET A 43 5.845 35.721 -3.253 1.00 45.40 C ATOM 608 C MET A 43 7.102 34.857 -3.263 1.00 22.12 C ATOM 609 O MET A 43 7.198 33.892 -4.021 1.00 33.41 O ATOM 610 CB MET A 43 6.148 37.088 -3.870 1.00 10.54 C ATOM 611 CG MET A 43 5.170 37.493 -4.961 1.00 62.41 C ATOM 612 SD MET A 43 5.917 38.570 -6.199 1.00 65.52 S ATOM 613 CE MET A 43 4.978 40.074 -5.951 1.00 33.11 C ATOM 0 H MET A 43 5.162 36.847 -1.621 1.00 21.35 H new ATOM 0 HA MET A 43 5.078 35.223 -3.847 1.00 45.40 H new ATOM 0 HB2 MET A 43 6.136 37.843 -3.084 1.00 10.54 H new ATOM 0 HB3 MET A 43 7.156 37.075 -4.284 1.00 10.54 H new ATOM 0 HG2 MET A 43 4.785 36.598 -5.449 1.00 62.41 H new ATOM 0 HG3 MET A 43 4.318 38.001 -4.509 1.00 62.41 H new ATOM 0 HE1 MET A 43 5.476 40.901 -6.457 1.00 33.11 H new ATOM 0 HE2 MET A 43 3.976 39.949 -6.360 1.00 33.11 H new ATOM 0 HE3 MET A 43 4.910 40.289 -4.885 1.00 33.11 H new ATOM 623 N VAL A 44 8.065 35.210 -2.416 1.00 75.44 N ATOM 624 CA VAL A 44 9.315 34.465 -2.327 1.00 41.34 C ATOM 625 C VAL A 44 9.058 32.994 -2.023 1.00 23.24 C ATOM 626 O VAL A 44 9.741 32.112 -2.544 1.00 21.33 O ATOM 627 CB VAL A 44 10.240 35.049 -1.243 1.00 12.22 C ATOM 628 CG1 VAL A 44 11.601 34.371 -1.279 1.00 74.51 C ATOM 629 CG2 VAL A 44 10.380 36.554 -1.417 1.00 24.13 C ATOM 0 H VAL A 44 8.003 36.007 -1.782 1.00 75.44 H new ATOM 0 HA VAL A 44 9.805 34.551 -3.297 1.00 41.34 H new ATOM 0 HB VAL A 44 9.792 34.859 -0.267 1.00 12.22 H new ATOM 0 HG11 VAL A 44 12.240 34.797 -0.506 1.00 74.51 H new ATOM 0 HG12 VAL A 44 11.480 33.302 -1.101 1.00 74.51 H new ATOM 0 HG13 VAL A 44 12.059 34.527 -2.256 1.00 74.51 H new ATOM 0 HG21 VAL A 44 11.037 36.950 -0.643 1.00 24.13 H new ATOM 0 HG22 VAL A 44 10.804 36.769 -2.398 1.00 24.13 H new ATOM 0 HG23 VAL A 44 9.399 37.023 -1.335 1.00 24.13 H new ATOM 639 N LYS A 45 8.068 32.735 -1.175 1.00 23.00 N ATOM 640 CA LYS A 45 7.718 31.370 -0.801 1.00 22.14 C ATOM 641 C LYS A 45 7.340 30.549 -2.029 1.00 64.32 C ATOM 642 O LYS A 45 7.608 29.349 -2.091 1.00 3.40 O ATOM 643 CB LYS A 45 6.559 31.375 0.199 1.00 64.41 C ATOM 644 CG LYS A 45 6.960 30.936 1.597 1.00 42.41 C ATOM 645 CD LYS A 45 7.386 32.119 2.451 1.00 30.32 C ATOM 646 CE LYS A 45 8.796 31.937 2.991 1.00 23.00 C ATOM 647 NZ LYS A 45 9.123 32.942 4.040 1.00 54.41 N ATOM 0 H LYS A 45 7.494 33.453 -0.734 1.00 23.00 H new ATOM 0 HA LYS A 45 8.591 30.912 -0.335 1.00 22.14 H new ATOM 0 HB2 LYS A 45 6.138 32.379 0.249 1.00 64.41 H new ATOM 0 HB3 LYS A 45 5.771 30.717 -0.167 1.00 64.41 H new ATOM 0 HG2 LYS A 45 6.123 30.425 2.073 1.00 42.41 H new ATOM 0 HG3 LYS A 45 7.778 30.218 1.534 1.00 42.41 H new ATOM 0 HD2 LYS A 45 7.337 33.033 1.859 1.00 30.32 H new ATOM 0 HD3 LYS A 45 6.690 32.239 3.281 1.00 30.32 H new ATOM 0 HE2 LYS A 45 8.900 30.934 3.404 1.00 23.00 H new ATOM 0 HE3 LYS A 45 9.512 32.020 2.173 1.00 23.00 H new ATOM 0 HZ1 LYS A 45 10.092 32.784 4.382 1.00 54.41 H new ATOM 0 HZ2 LYS A 45 9.049 33.899 3.639 1.00 54.41 H new ATOM 0 HZ3 LYS A 45 8.456 32.846 4.832 1.00 54.41 H new ATOM 661 N GLU A 46 6.718 31.203 -3.005 1.00 2.42 N ATOM 662 CA GLU A 46 6.305 30.532 -4.232 1.00 10.44 C ATOM 663 C GLU A 46 7.518 30.083 -5.041 1.00 40.22 C ATOM 664 O GLU A 46 7.626 28.918 -5.424 1.00 41.23 O ATOM 665 CB GLU A 46 5.429 31.460 -5.077 1.00 3.05 C ATOM 666 CG GLU A 46 4.104 30.840 -5.485 1.00 54.33 C ATOM 667 CD GLU A 46 4.274 29.673 -6.438 1.00 24.11 C ATOM 668 OE1 GLU A 46 5.164 29.744 -7.311 1.00 1.10 O ATOM 669 OE2 GLU A 46 3.518 28.688 -6.310 1.00 34.35 O ATOM 0 H GLU A 46 6.489 32.196 -2.970 1.00 2.42 H new ATOM 0 HA GLU A 46 5.727 29.650 -3.957 1.00 10.44 H new ATOM 0 HB2 GLU A 46 5.235 32.374 -4.516 1.00 3.05 H new ATOM 0 HB3 GLU A 46 5.978 31.747 -5.974 1.00 3.05 H new ATOM 0 HG2 GLU A 46 3.576 30.502 -4.594 1.00 54.33 H new ATOM 0 HG3 GLU A 46 3.481 31.601 -5.956 1.00 54.33 H new ATOM 676 N VAL A 47 8.429 31.016 -5.299 1.00 11.54 N ATOM 677 CA VAL A 47 9.635 30.718 -6.062 1.00 33.10 C ATOM 678 C VAL A 47 10.535 29.745 -5.309 1.00 2.22 C ATOM 679 O VAL A 47 11.035 28.777 -5.880 1.00 24.05 O ATOM 680 CB VAL A 47 10.431 31.998 -6.377 1.00 52.32 C ATOM 681 CG1 VAL A 47 11.550 31.702 -7.364 1.00 54.23 C ATOM 682 CG2 VAL A 47 9.507 33.081 -6.915 1.00 20.24 C ATOM 0 H VAL A 47 8.354 31.985 -4.990 1.00 11.54 H new ATOM 0 HA VAL A 47 9.313 30.261 -6.997 1.00 33.10 H new ATOM 0 HB VAL A 47 10.881 32.362 -5.453 1.00 52.32 H new ATOM 0 HG11 VAL A 47 12.101 32.618 -7.574 1.00 54.23 H new ATOM 0 HG12 VAL A 47 12.226 30.962 -6.936 1.00 54.23 H new ATOM 0 HG13 VAL A 47 11.125 31.313 -8.290 1.00 54.23 H new ATOM 0 HG21 VAL A 47 10.086 33.978 -7.132 1.00 20.24 H new ATOM 0 HG22 VAL A 47 9.027 32.729 -7.828 1.00 20.24 H new ATOM 0 HG23 VAL A 47 8.745 33.312 -6.170 1.00 20.24 H new ATOM 692 N GLY A 48 10.737 30.010 -4.021 1.00 63.25 N ATOM 693 CA GLY A 48 11.577 29.148 -3.210 1.00 44.51 C ATOM 694 C GLY A 48 11.139 27.698 -3.258 1.00 55.41 C ATOM 695 O GLY A 48 11.967 26.789 -3.201 1.00 22.22 O ATOM 0 H GLY A 48 10.334 30.805 -3.526 1.00 63.25 H new ATOM 0 HA2 GLY A 48 12.609 29.224 -3.554 1.00 44.51 H new ATOM 0 HA3 GLY A 48 11.559 29.496 -2.177 1.00 44.51 H new ATOM 699 N LEU A 49 9.832 27.481 -3.362 1.00 22.42 N ATOM 700 CA LEU A 49 9.284 26.130 -3.416 1.00 33.13 C ATOM 701 C LEU A 49 9.589 25.471 -4.757 1.00 53.43 C ATOM 702 O LEU A 49 9.870 24.275 -4.823 1.00 51.22 O ATOM 703 CB LEU A 49 7.772 26.162 -3.183 1.00 2.35 C ATOM 704 CG LEU A 49 7.185 24.975 -2.419 1.00 62.41 C ATOM 705 CD1 LEU A 49 6.257 25.456 -1.315 1.00 75.02 C ATOM 706 CD2 LEU A 49 6.449 24.041 -3.369 1.00 53.41 C ATOM 0 H LEU A 49 9.133 28.222 -3.411 1.00 22.42 H new ATOM 0 HA LEU A 49 9.755 25.542 -2.628 1.00 33.13 H new ATOM 0 HB2 LEU A 49 7.528 27.075 -2.640 1.00 2.35 H new ATOM 0 HB3 LEU A 49 7.277 26.226 -4.152 1.00 2.35 H new ATOM 0 HG LEU A 49 8.004 24.422 -1.960 1.00 62.41 H new ATOM 0 HD11 LEU A 49 5.849 24.597 -0.783 1.00 75.02 H new ATOM 0 HD12 LEU A 49 6.814 26.083 -0.619 1.00 75.02 H new ATOM 0 HD13 LEU A 49 5.442 26.033 -1.751 1.00 75.02 H new ATOM 0 HD21 LEU A 49 6.038 23.202 -2.808 1.00 53.41 H new ATOM 0 HD22 LEU A 49 5.639 24.583 -3.857 1.00 53.41 H new ATOM 0 HD23 LEU A 49 7.142 23.668 -4.123 1.00 53.41 H new ATOM 718 N ALA A 50 9.533 26.261 -5.825 1.00 1.44 N ATOM 719 CA ALA A 50 9.808 25.756 -7.164 1.00 55.30 C ATOM 720 C ALA A 50 11.276 25.377 -7.317 1.00 65.14 C ATOM 721 O ALA A 50 11.603 24.328 -7.875 1.00 15.11 O ATOM 722 CB ALA A 50 9.416 26.791 -8.209 1.00 32.23 C ATOM 0 H ALA A 50 9.300 27.253 -5.788 1.00 1.44 H new ATOM 0 HA ALA A 50 9.210 24.857 -7.316 1.00 55.30 H new ATOM 0 HB1 ALA A 50 9.627 26.401 -9.205 1.00 32.23 H new ATOM 0 HB2 ALA A 50 8.352 27.010 -8.123 1.00 32.23 H new ATOM 0 HB3 ALA A 50 9.988 27.705 -8.049 1.00 32.23 H new ATOM 728 N LEU A 51 12.159 26.236 -6.820 1.00 44.04 N ATOM 729 CA LEU A 51 13.595 25.991 -6.903 1.00 2.12 C ATOM 730 C LEU A 51 13.985 24.761 -6.090 1.00 23.13 C ATOM 731 O LEU A 51 14.574 23.817 -6.617 1.00 44.31 O ATOM 732 CB LEU A 51 14.370 27.212 -6.405 1.00 2.31 C ATOM 733 CG LEU A 51 14.582 28.334 -7.423 1.00 20.42 C ATOM 734 CD1 LEU A 51 15.195 27.785 -8.702 1.00 24.24 C ATOM 735 CD2 LEU A 51 13.267 29.039 -7.720 1.00 1.50 C ATOM 0 H LEU A 51 11.906 27.108 -6.355 1.00 44.04 H new ATOM 0 HA LEU A 51 13.848 25.809 -7.947 1.00 2.12 H new ATOM 0 HB2 LEU A 51 13.844 27.625 -5.544 1.00 2.31 H new ATOM 0 HB3 LEU A 51 15.346 26.879 -6.053 1.00 2.31 H new ATOM 0 HG LEU A 51 15.273 29.061 -6.996 1.00 20.42 H new ATOM 0 HD11 LEU A 51 15.339 28.597 -9.415 1.00 24.24 H new ATOM 0 HD12 LEU A 51 16.157 27.326 -8.476 1.00 24.24 H new ATOM 0 HD13 LEU A 51 14.529 27.038 -9.133 1.00 24.24 H new ATOM 0 HD21 LEU A 51 13.436 29.834 -8.446 1.00 1.50 H new ATOM 0 HD22 LEU A 51 12.554 28.322 -8.127 1.00 1.50 H new ATOM 0 HD23 LEU A 51 12.868 29.466 -6.800 1.00 1.50 H new ATOM 747 N ARG A 52 13.651 24.778 -4.804 1.00 32.44 N ATOM 748 CA ARG A 52 13.965 23.663 -3.918 1.00 2.01 C ATOM 749 C ARG A 52 13.383 22.360 -4.457 1.00 30.53 C ATOM 750 O ARG A 52 14.080 21.349 -4.557 1.00 3.32 O ATOM 751 CB ARG A 52 13.425 23.933 -2.512 1.00 61.23 C ATOM 752 CG ARG A 52 13.804 22.865 -1.499 1.00 0.21 C ATOM 753 CD ARG A 52 13.220 23.166 -0.128 1.00 13.33 C ATOM 754 NE ARG A 52 12.495 22.023 0.421 1.00 1.45 N ATOM 755 CZ ARG A 52 11.827 22.059 1.569 1.00 10.30 C ATOM 756 NH1 ARG A 52 11.791 23.175 2.285 1.00 64.14 N ATOM 757 NH2 ARG A 52 11.192 20.978 2.003 1.00 62.23 N ATOM 0 H ARG A 52 13.163 25.551 -4.352 1.00 32.44 H new ATOM 0 HA ARG A 52 15.049 23.564 -3.870 1.00 2.01 H new ATOM 0 HB2 ARG A 52 13.798 24.897 -2.168 1.00 61.23 H new ATOM 0 HB3 ARG A 52 12.339 24.009 -2.558 1.00 61.23 H new ATOM 0 HG2 ARG A 52 13.448 21.894 -1.842 1.00 0.21 H new ATOM 0 HG3 ARG A 52 14.890 22.799 -1.427 1.00 0.21 H new ATOM 0 HD2 ARG A 52 14.022 23.448 0.554 1.00 13.33 H new ATOM 0 HD3 ARG A 52 12.548 24.021 -0.200 1.00 13.33 H new ATOM 0 HE ARG A 52 12.502 21.150 -0.106 1.00 1.45 H new ATOM 0 HH11 ARG A 52 12.277 24.009 1.955 1.00 64.14 H new ATOM 0 HH12 ARG A 52 11.277 23.199 3.166 1.00 64.14 H new ATOM 0 HH21 ARG A 52 11.216 20.118 1.455 1.00 62.23 H new ATOM 0 HH22 ARG A 52 10.680 21.007 2.884 1.00 62.23 H new ATOM 771 N THR A 53 12.100 22.389 -4.802 1.00 75.33 N ATOM 772 CA THR A 53 11.423 21.210 -5.329 1.00 12.31 C ATOM 773 C THR A 53 12.032 20.774 -6.656 1.00 71.24 C ATOM 774 O THR A 53 12.135 19.580 -6.941 1.00 61.12 O ATOM 775 CB THR A 53 9.917 21.469 -5.528 1.00 65.01 C ATOM 776 OG1 THR A 53 9.307 21.799 -4.276 1.00 21.05 O ATOM 777 CG2 THR A 53 9.233 20.249 -6.126 1.00 21.24 C ATOM 0 H THR A 53 11.508 23.216 -4.726 1.00 75.33 H new ATOM 0 HA THR A 53 11.553 20.415 -4.594 1.00 12.31 H new ATOM 0 HB THR A 53 9.802 22.305 -6.218 1.00 65.01 H new ATOM 0 HG1 THR A 53 9.347 22.768 -4.138 1.00 21.05 H new ATOM 0 HG21 THR A 53 8.171 20.455 -6.257 1.00 21.24 H new ATOM 0 HG22 THR A 53 9.680 20.019 -7.093 1.00 21.24 H new ATOM 0 HG23 THR A 53 9.357 19.398 -5.457 1.00 21.24 H new ATOM 785 N LEU A 54 12.435 21.747 -7.466 1.00 13.35 N ATOM 786 CA LEU A 54 13.035 21.463 -8.764 1.00 42.33 C ATOM 787 C LEU A 54 14.221 20.515 -8.620 1.00 71.53 C ATOM 788 O LEU A 54 14.428 19.631 -9.453 1.00 55.04 O ATOM 789 CB LEU A 54 13.485 22.762 -9.435 1.00 44.31 C ATOM 790 CG LEU A 54 12.548 23.326 -10.504 1.00 20.14 C ATOM 791 CD1 LEU A 54 13.047 24.677 -10.992 1.00 73.24 C ATOM 792 CD2 LEU A 54 12.416 22.352 -11.665 1.00 65.32 C ATOM 0 H LEU A 54 12.357 22.740 -7.246 1.00 13.35 H new ATOM 0 HA LEU A 54 12.282 20.981 -9.387 1.00 42.33 H new ATOM 0 HB2 LEU A 54 13.619 23.519 -8.662 1.00 44.31 H new ATOM 0 HB3 LEU A 54 14.462 22.593 -9.889 1.00 44.31 H new ATOM 0 HG LEU A 54 11.562 23.465 -10.060 1.00 20.14 H new ATOM 0 HD11 LEU A 54 12.368 25.063 -11.752 1.00 73.24 H new ATOM 0 HD12 LEU A 54 13.088 25.374 -10.155 1.00 73.24 H new ATOM 0 HD13 LEU A 54 14.043 24.564 -11.419 1.00 73.24 H new ATOM 0 HD21 LEU A 54 11.746 22.770 -12.416 1.00 65.32 H new ATOM 0 HD22 LEU A 54 13.396 22.180 -12.109 1.00 65.32 H new ATOM 0 HD23 LEU A 54 12.011 21.407 -11.303 1.00 65.32 H new ATOM 804 N LEU A 55 14.996 20.702 -7.558 1.00 32.43 N ATOM 805 CA LEU A 55 16.160 19.861 -7.302 1.00 63.25 C ATOM 806 C LEU A 55 15.753 18.399 -7.144 1.00 53.53 C ATOM 807 O LEU A 55 16.385 17.504 -7.705 1.00 15.44 O ATOM 808 CB LEU A 55 16.892 20.337 -6.046 1.00 61.24 C ATOM 809 CG LEU A 55 17.839 21.523 -6.230 1.00 42.24 C ATOM 810 CD1 LEU A 55 17.875 22.378 -4.973 1.00 34.10 C ATOM 811 CD2 LEU A 55 19.237 21.039 -6.588 1.00 51.32 C ATOM 0 H LEU A 55 14.840 21.429 -6.860 1.00 32.43 H new ATOM 0 HA LEU A 55 16.830 19.942 -8.158 1.00 63.25 H new ATOM 0 HB2 LEU A 55 16.148 20.605 -5.296 1.00 61.24 H new ATOM 0 HB3 LEU A 55 17.463 19.500 -5.644 1.00 61.24 H new ATOM 0 HG LEU A 55 17.467 22.136 -7.051 1.00 42.24 H new ATOM 0 HD11 LEU A 55 18.554 23.217 -5.123 1.00 34.10 H new ATOM 0 HD12 LEU A 55 16.874 22.755 -4.760 1.00 34.10 H new ATOM 0 HD13 LEU A 55 18.222 21.776 -4.133 1.00 34.10 H new ATOM 0 HD21 LEU A 55 19.898 21.897 -6.715 1.00 51.32 H new ATOM 0 HD22 LEU A 55 19.618 20.403 -5.789 1.00 51.32 H new ATOM 0 HD23 LEU A 55 19.198 20.470 -7.517 1.00 51.32 H new ATOM 823 N ALA A 56 14.691 18.166 -6.379 1.00 45.10 N ATOM 824 CA ALA A 56 14.197 16.814 -6.151 1.00 12.13 C ATOM 825 C ALA A 56 13.502 16.267 -7.393 1.00 62.40 C ATOM 826 O ALA A 56 13.711 15.116 -7.778 1.00 30.40 O ATOM 827 CB ALA A 56 13.249 16.793 -4.961 1.00 75.10 C ATOM 0 H ALA A 56 14.157 18.896 -5.907 1.00 45.10 H new ATOM 0 HA ALA A 56 15.051 16.173 -5.933 1.00 12.13 H new ATOM 0 HB1 ALA A 56 12.887 15.777 -4.802 1.00 75.10 H new ATOM 0 HB2 ALA A 56 13.776 17.134 -4.070 1.00 75.10 H new ATOM 0 HB3 ALA A 56 12.404 17.452 -5.158 1.00 75.10 H new ATOM 833 N THR A 57 12.674 17.098 -8.017 1.00 51.34 N ATOM 834 CA THR A 57 11.947 16.697 -9.215 1.00 70.11 C ATOM 835 C THR A 57 12.892 16.130 -10.268 1.00 44.31 C ATOM 836 O THR A 57 12.687 15.026 -10.771 1.00 61.33 O ATOM 837 CB THR A 57 11.169 17.879 -9.823 1.00 2.41 C ATOM 838 OG1 THR A 57 12.082 18.887 -10.273 1.00 22.31 O ATOM 839 CG2 THR A 57 10.209 18.476 -8.805 1.00 3.21 C ATOM 0 H THR A 57 12.490 18.054 -7.712 1.00 51.34 H new ATOM 0 HA THR A 57 11.240 15.925 -8.911 1.00 70.11 H new ATOM 0 HB THR A 57 10.591 17.508 -10.670 1.00 2.41 H new ATOM 0 HG1 THR A 57 12.890 18.867 -9.719 1.00 22.31 H new ATOM 0 HG21 THR A 57 9.671 19.309 -9.257 1.00 3.21 H new ATOM 0 HG22 THR A 57 9.497 17.715 -8.486 1.00 3.21 H new ATOM 0 HG23 THR A 57 10.770 18.833 -7.941 1.00 3.21 H new ATOM 847 N VAL A 58 13.930 16.893 -10.597 1.00 40.21 N ATOM 848 CA VAL A 58 14.909 16.466 -11.590 1.00 31.14 C ATOM 849 C VAL A 58 15.678 15.240 -11.111 1.00 35.52 C ATOM 850 O VAL A 58 16.088 14.400 -11.912 1.00 24.21 O ATOM 851 CB VAL A 58 15.909 17.592 -11.912 1.00 64.30 C ATOM 852 CG1 VAL A 58 16.789 17.886 -10.706 1.00 52.23 C ATOM 853 CG2 VAL A 58 16.755 17.222 -13.121 1.00 51.24 C ATOM 0 H VAL A 58 14.115 17.810 -10.190 1.00 40.21 H new ATOM 0 HA VAL A 58 14.354 16.213 -12.494 1.00 31.14 H new ATOM 0 HB VAL A 58 15.348 18.495 -12.151 1.00 64.30 H new ATOM 0 HG11 VAL A 58 17.489 18.684 -10.952 1.00 52.23 H new ATOM 0 HG12 VAL A 58 16.165 18.196 -9.868 1.00 52.23 H new ATOM 0 HG13 VAL A 58 17.344 16.988 -10.433 1.00 52.23 H new ATOM 0 HG21 VAL A 58 17.456 18.029 -13.335 1.00 51.24 H new ATOM 0 HG22 VAL A 58 17.308 16.306 -12.912 1.00 51.24 H new ATOM 0 HG23 VAL A 58 16.108 17.066 -13.984 1.00 51.24 H new ATOM 863 N ASP A 59 15.868 15.142 -9.800 1.00 0.43 N ATOM 864 CA ASP A 59 16.586 14.017 -9.213 1.00 3.13 C ATOM 865 C ASP A 59 15.934 12.694 -9.601 1.00 64.15 C ATOM 866 O ASP A 59 16.617 11.690 -9.799 1.00 63.35 O ATOM 867 CB ASP A 59 16.630 14.151 -7.690 1.00 35.33 C ATOM 868 CG ASP A 59 17.875 13.528 -7.089 1.00 55.10 C ATOM 869 OD1 ASP A 59 18.041 12.297 -7.214 1.00 43.03 O ATOM 870 OD2 ASP A 59 18.682 14.272 -6.493 1.00 32.21 O ATOM 0 H ASP A 59 15.535 15.828 -9.123 1.00 0.43 H new ATOM 0 HA ASP A 59 17.605 14.026 -9.600 1.00 3.13 H new ATOM 0 HB2 ASP A 59 16.589 15.206 -7.420 1.00 35.33 H new ATOM 0 HB3 ASP A 59 15.747 13.677 -7.261 1.00 35.33 H new ATOM 875 N GLU A 60 14.609 12.701 -9.708 1.00 2.45 N ATOM 876 CA GLU A 60 13.866 11.501 -10.071 1.00 32.35 C ATOM 877 C GLU A 60 13.746 11.372 -11.586 1.00 41.44 C ATOM 878 O GLU A 60 13.450 10.297 -12.108 1.00 0.34 O ATOM 879 CB GLU A 60 12.473 11.526 -9.438 1.00 74.13 C ATOM 880 CG GLU A 60 12.480 11.887 -7.962 1.00 45.34 C ATOM 881 CD GLU A 60 11.752 10.868 -7.108 1.00 62.33 C ATOM 882 OE1 GLU A 60 10.696 10.369 -7.552 1.00 2.45 O ATOM 883 OE2 GLU A 60 12.237 10.568 -5.997 1.00 44.54 O ATOM 0 H GLU A 60 14.029 13.524 -9.548 1.00 2.45 H new ATOM 0 HA GLU A 60 14.414 10.638 -9.693 1.00 32.35 H new ATOM 0 HB2 GLU A 60 11.852 12.243 -9.975 1.00 74.13 H new ATOM 0 HB3 GLU A 60 12.010 10.547 -9.562 1.00 74.13 H new ATOM 0 HG2 GLU A 60 13.511 11.974 -7.618 1.00 45.34 H new ATOM 0 HG3 GLU A 60 12.016 12.864 -7.829 1.00 45.34 H new ATOM 890 N SER A 61 13.978 12.477 -12.288 1.00 51.30 N ATOM 891 CA SER A 61 13.892 12.491 -13.744 1.00 30.44 C ATOM 892 C SER A 61 15.086 11.771 -14.365 1.00 14.51 C ATOM 893 O SER A 61 15.010 11.276 -15.490 1.00 20.31 O ATOM 894 CB SER A 61 13.825 13.930 -14.259 1.00 34.44 C ATOM 895 OG SER A 61 15.107 14.394 -14.644 1.00 73.24 O ATOM 0 H SER A 61 14.227 13.374 -11.872 1.00 51.30 H new ATOM 0 HA SER A 61 12.982 11.967 -14.035 1.00 30.44 H new ATOM 0 HB2 SER A 61 13.145 13.984 -15.109 1.00 34.44 H new ATOM 0 HB3 SER A 61 13.418 14.579 -13.483 1.00 34.44 H new ATOM 0 HG SER A 61 15.673 14.489 -13.849 1.00 73.24 H new ATOM 901 N LEU A 62 16.187 11.719 -13.624 1.00 61.33 N ATOM 902 CA LEU A 62 17.399 11.060 -14.101 1.00 14.42 C ATOM 903 C LEU A 62 17.093 9.651 -14.598 1.00 51.34 C ATOM 904 O LEU A 62 17.305 9.319 -15.765 1.00 32.33 O ATOM 905 CB LEU A 62 18.444 11.004 -12.986 1.00 4.22 C ATOM 906 CG LEU A 62 19.737 11.781 -13.238 1.00 62.34 C ATOM 907 CD1 LEU A 62 20.195 12.483 -11.969 1.00 71.43 C ATOM 908 CD2 LEU A 62 20.825 10.851 -13.758 1.00 15.50 C ATOM 0 H LEU A 62 16.266 12.125 -12.691 1.00 61.33 H new ATOM 0 HA LEU A 62 17.796 11.641 -14.934 1.00 14.42 H new ATOM 0 HB2 LEU A 62 17.989 11.382 -12.070 1.00 4.22 H new ATOM 0 HB3 LEU A 62 18.700 9.960 -12.808 1.00 4.22 H new ATOM 0 HG LEU A 62 19.541 12.539 -13.996 1.00 62.34 H new ATOM 0 HD11 LEU A 62 21.116 13.030 -12.168 1.00 71.43 H new ATOM 0 HD12 LEU A 62 19.423 13.179 -11.639 1.00 71.43 H new ATOM 0 HD13 LEU A 62 20.374 11.744 -11.188 1.00 71.43 H new ATOM 0 HD21 LEU A 62 21.738 11.421 -13.932 1.00 15.50 H new ATOM 0 HD22 LEU A 62 21.019 10.071 -13.022 1.00 15.50 H new ATOM 0 HD23 LEU A 62 20.498 10.395 -14.693 1.00 15.50 H new ATOM 920 N PRO A 63 16.581 8.803 -13.695 1.00 33.41 N ATOM 921 CA PRO A 63 16.232 7.416 -14.020 1.00 11.34 C ATOM 922 C PRO A 63 15.019 7.324 -14.939 1.00 70.21 C ATOM 923 O PRO A 63 15.022 6.572 -15.914 1.00 30.44 O ATOM 924 CB PRO A 63 15.916 6.801 -12.654 1.00 60.22 C ATOM 925 CG PRO A 63 15.500 7.953 -11.806 1.00 44.03 C ATOM 926 CD PRO A 63 16.302 9.131 -12.287 1.00 11.13 C ATOM 0 HA PRO A 63 17.034 6.908 -14.556 1.00 11.34 H new ATOM 0 HB2 PRO A 63 15.122 6.058 -12.729 1.00 60.22 H new ATOM 0 HB3 PRO A 63 16.787 6.296 -12.236 1.00 60.22 H new ATOM 0 HG2 PRO A 63 14.431 8.143 -11.903 1.00 44.03 H new ATOM 0 HG3 PRO A 63 15.694 7.752 -10.752 1.00 44.03 H new ATOM 0 HD2 PRO A 63 15.743 10.062 -12.195 1.00 11.13 H new ATOM 0 HD3 PRO A 63 17.221 9.253 -11.713 1.00 11.13 H new ATOM 934 N VAL A 64 13.983 8.094 -14.623 1.00 74.02 N ATOM 935 CA VAL A 64 12.763 8.100 -15.422 1.00 60.02 C ATOM 936 C VAL A 64 13.074 8.322 -16.898 1.00 60.31 C ATOM 937 O VAL A 64 12.353 7.843 -17.775 1.00 24.53 O ATOM 938 CB VAL A 64 11.785 9.190 -14.946 1.00 1.35 C ATOM 939 CG1 VAL A 64 10.580 9.269 -15.871 1.00 22.43 C ATOM 940 CG2 VAL A 64 11.351 8.926 -13.512 1.00 35.31 C ATOM 0 H VAL A 64 13.964 8.722 -13.819 1.00 74.02 H new ATOM 0 HA VAL A 64 12.297 7.123 -15.294 1.00 60.02 H new ATOM 0 HB VAL A 64 12.298 10.151 -14.975 1.00 1.35 H new ATOM 0 HG11 VAL A 64 9.901 10.045 -15.518 1.00 22.43 H new ATOM 0 HG12 VAL A 64 10.912 9.509 -16.881 1.00 22.43 H new ATOM 0 HG13 VAL A 64 10.063 8.309 -15.878 1.00 22.43 H new ATOM 0 HG21 VAL A 64 10.660 9.706 -13.192 1.00 35.31 H new ATOM 0 HG22 VAL A 64 10.856 7.957 -13.454 1.00 35.31 H new ATOM 0 HG23 VAL A 64 12.225 8.926 -12.861 1.00 35.31 H new ATOM 950 N LEU A 65 14.152 9.050 -17.167 1.00 13.42 N ATOM 951 CA LEU A 65 14.560 9.336 -18.538 1.00 31.00 C ATOM 952 C LEU A 65 15.755 8.478 -18.940 1.00 72.44 C ATOM 953 O LEU A 65 16.494 7.965 -18.099 1.00 54.13 O ATOM 954 CB LEU A 65 14.908 10.818 -18.689 1.00 70.22 C ATOM 955 CG LEU A 65 13.729 11.764 -18.918 1.00 11.31 C ATOM 956 CD1 LEU A 65 13.108 11.523 -20.285 1.00 43.22 C ATOM 957 CD2 LEU A 65 12.688 11.595 -17.820 1.00 64.15 C ATOM 0 H LEU A 65 14.760 9.453 -16.454 1.00 13.42 H new ATOM 0 HA LEU A 65 13.726 9.096 -19.197 1.00 31.00 H new ATOM 0 HB2 LEU A 65 15.437 11.140 -17.792 1.00 70.22 H new ATOM 0 HB3 LEU A 65 15.601 10.925 -19.523 1.00 70.22 H new ATOM 0 HG LEU A 65 14.099 12.789 -18.886 1.00 11.31 H new ATOM 0 HD11 LEU A 65 12.271 12.206 -20.430 1.00 43.22 H new ATOM 0 HD12 LEU A 65 13.855 11.696 -21.060 1.00 43.22 H new ATOM 0 HD13 LEU A 65 12.753 10.494 -20.347 1.00 43.22 H new ATOM 0 HD21 LEU A 65 11.856 12.276 -17.999 1.00 64.15 H new ATOM 0 HD22 LEU A 65 12.323 10.568 -17.820 1.00 64.15 H new ATOM 0 HD23 LEU A 65 13.139 11.820 -16.853 1.00 64.15 H new ATOM 969 N PRO A 66 15.952 8.318 -20.257 1.00 60.44 N ATOM 970 CA PRO A 66 17.058 7.524 -20.802 1.00 10.14 C ATOM 971 C PRO A 66 18.412 8.189 -20.580 1.00 63.11 C ATOM 972 O PRO A 66 18.570 9.388 -20.808 1.00 23.15 O ATOM 973 CB PRO A 66 16.738 7.448 -22.297 1.00 32.25 C ATOM 974 CG PRO A 66 15.908 8.655 -22.568 1.00 72.32 C ATOM 975 CD PRO A 66 15.111 8.900 -21.317 1.00 31.42 C ATOM 0 HA PRO A 66 17.137 6.550 -20.320 1.00 10.14 H new ATOM 0 HB2 PRO A 66 17.648 7.450 -22.897 1.00 32.25 H new ATOM 0 HB3 PRO A 66 16.198 6.533 -22.540 1.00 32.25 H new ATOM 0 HG2 PRO A 66 16.535 9.514 -22.806 1.00 72.32 H new ATOM 0 HG3 PRO A 66 15.252 8.493 -23.423 1.00 72.32 H new ATOM 0 HD2 PRO A 66 14.937 9.963 -21.153 1.00 31.42 H new ATOM 0 HD3 PRO A 66 14.133 8.420 -21.363 1.00 31.42 H new ATOM 983 N ALA A 67 19.387 7.402 -20.136 1.00 12.14 N ATOM 984 CA ALA A 67 20.728 7.915 -19.886 1.00 64.51 C ATOM 985 C ALA A 67 21.343 8.488 -21.159 1.00 34.14 C ATOM 986 O ALA A 67 21.602 7.760 -22.116 1.00 65.25 O ATOM 987 CB ALA A 67 21.615 6.817 -19.318 1.00 24.41 C ATOM 0 H ALA A 67 19.273 6.407 -19.942 1.00 12.14 H new ATOM 0 HA ALA A 67 20.652 8.721 -19.156 1.00 64.51 H new ATOM 0 HB1 ALA A 67 22.614 7.214 -19.136 1.00 24.41 H new ATOM 0 HB2 ALA A 67 21.192 6.456 -18.381 1.00 24.41 H new ATOM 0 HB3 ALA A 67 21.676 5.994 -20.030 1.00 24.41 H new ATOM 993 N SER A 68 21.572 9.797 -21.162 1.00 14.23 N ATOM 994 CA SER A 68 22.151 10.469 -22.319 1.00 2.11 C ATOM 995 C SER A 68 22.237 11.975 -22.087 1.00 32.55 C ATOM 996 O SER A 68 23.149 12.640 -22.578 1.00 0.33 O ATOM 997 CB SER A 68 21.321 10.181 -23.571 1.00 52.32 C ATOM 998 OG SER A 68 21.441 11.231 -24.515 1.00 44.05 O ATOM 0 H SER A 68 21.365 10.413 -20.376 1.00 14.23 H new ATOM 0 HA SER A 68 23.160 10.083 -22.464 1.00 2.11 H new ATOM 0 HB2 SER A 68 21.649 9.244 -24.021 1.00 52.32 H new ATOM 0 HB3 SER A 68 20.274 10.053 -23.296 1.00 52.32 H new ATOM 0 HG SER A 68 20.902 11.022 -25.307 1.00 44.05 H new ATOM 1004 N THR A 69 21.279 12.506 -21.333 1.00 52.24 N ATOM 1005 CA THR A 69 21.244 13.932 -21.036 1.00 14.52 C ATOM 1006 C THR A 69 21.524 14.193 -19.560 1.00 45.44 C ATOM 1007 O THR A 69 20.891 15.047 -18.939 1.00 12.11 O ATOM 1008 CB THR A 69 19.881 14.550 -21.404 1.00 64.24 C ATOM 1009 OG1 THR A 69 19.899 15.960 -21.155 1.00 70.22 O ATOM 1010 CG2 THR A 69 18.760 13.902 -20.606 1.00 1.53 C ATOM 0 H THR A 69 20.518 11.970 -20.917 1.00 52.24 H new ATOM 0 HA THR A 69 22.022 14.399 -21.640 1.00 14.52 H new ATOM 0 HB THR A 69 19.700 14.372 -22.464 1.00 64.24 H new ATOM 0 HG1 THR A 69 20.189 16.126 -20.234 1.00 70.22 H new ATOM 0 HG21 THR A 69 17.808 14.354 -20.883 1.00 1.53 H new ATOM 0 HG22 THR A 69 18.730 12.834 -20.821 1.00 1.53 H new ATOM 0 HG23 THR A 69 18.937 14.053 -19.541 1.00 1.53 H new ATOM 1018 N HIS A 70 22.479 13.454 -19.004 1.00 72.45 N ATOM 1019 CA HIS A 70 22.845 13.607 -17.601 1.00 35.52 C ATOM 1020 C HIS A 70 23.744 14.823 -17.403 1.00 62.22 C ATOM 1021 O HIS A 70 23.466 15.683 -16.568 1.00 4.14 O ATOM 1022 CB HIS A 70 23.551 12.348 -17.096 1.00 33.11 C ATOM 1023 CG HIS A 70 22.634 11.177 -16.920 1.00 60.51 C ATOM 1024 ND1 HIS A 70 23.031 9.990 -16.340 1.00 44.32 N ATOM 1025 CD2 HIS A 70 21.331 11.014 -17.250 1.00 44.42 C ATOM 1026 CE1 HIS A 70 22.013 9.149 -16.323 1.00 24.52 C ATOM 1027 NE2 HIS A 70 20.970 9.746 -16.869 1.00 35.22 N ATOM 0 H HIS A 70 23.013 12.743 -19.504 1.00 72.45 H new ATOM 0 HA HIS A 70 21.931 13.757 -17.027 1.00 35.52 H new ATOM 0 HB2 HIS A 70 24.341 12.078 -17.797 1.00 33.11 H new ATOM 0 HB3 HIS A 70 24.032 12.569 -16.143 1.00 33.11 H new ATOM 0 HD2 HIS A 70 20.694 11.746 -17.725 1.00 44.42 H new ATOM 0 HE1 HIS A 70 22.031 8.143 -15.929 1.00 24.52 H new ATOM 0 HE2 HIS A 70 20.045 9.332 -16.988 1.00 35.22 H new ATOM 1035 N ARG A 71 24.823 14.887 -18.177 1.00 30.23 N ATOM 1036 CA ARG A 71 25.764 15.996 -18.085 1.00 42.40 C ATOM 1037 C ARG A 71 25.037 17.335 -18.175 1.00 20.11 C ATOM 1038 O ARG A 71 25.224 18.211 -17.331 1.00 42.05 O ATOM 1039 CB ARG A 71 26.812 15.897 -19.195 1.00 51.53 C ATOM 1040 CG ARG A 71 28.212 15.596 -18.686 1.00 40.14 C ATOM 1041 CD ARG A 71 29.270 15.963 -19.716 1.00 32.34 C ATOM 1042 NE ARG A 71 29.872 17.265 -19.442 1.00 75.10 N ATOM 1043 CZ ARG A 71 30.792 17.827 -20.218 1.00 33.11 C ATOM 1044 NH1 ARG A 71 31.213 17.204 -21.310 1.00 22.02 N ATOM 1045 NH2 ARG A 71 31.292 19.015 -19.902 1.00 72.24 N ATOM 0 H ARG A 71 25.067 14.184 -18.874 1.00 30.23 H new ATOM 0 HA ARG A 71 26.263 15.937 -17.118 1.00 42.40 H new ATOM 0 HB2 ARG A 71 26.514 15.117 -19.896 1.00 51.53 H new ATOM 0 HB3 ARG A 71 26.830 16.835 -19.750 1.00 51.53 H new ATOM 0 HG2 ARG A 71 28.392 16.150 -17.764 1.00 40.14 H new ATOM 0 HG3 ARG A 71 28.292 14.537 -18.442 1.00 40.14 H new ATOM 0 HD2 ARG A 71 30.047 15.199 -19.725 1.00 32.34 H new ATOM 0 HD3 ARG A 71 28.821 15.973 -20.709 1.00 32.34 H new ATOM 0 HE ARG A 71 29.569 17.770 -18.609 1.00 75.10 H new ATOM 0 HH11 ARG A 71 30.830 16.291 -21.556 1.00 22.02 H new ATOM 0 HH12 ARG A 71 31.920 17.638 -21.904 1.00 22.02 H new ATOM 0 HH21 ARG A 71 30.970 19.497 -19.063 1.00 72.24 H new ATOM 0 HH22 ARG A 71 31.998 19.446 -20.498 1.00 72.24 H new ATOM 1059 N GLU A 72 24.208 17.484 -19.203 1.00 41.44 N ATOM 1060 CA GLU A 72 23.454 18.717 -19.403 1.00 65.44 C ATOM 1061 C GLU A 72 22.716 19.115 -18.129 1.00 53.51 C ATOM 1062 O GLU A 72 22.922 20.205 -17.595 1.00 5.34 O ATOM 1063 CB GLU A 72 22.458 18.551 -20.553 1.00 23.42 C ATOM 1064 CG GLU A 72 23.117 18.430 -21.917 1.00 2.43 C ATOM 1065 CD GLU A 72 22.118 18.168 -23.026 1.00 53.04 C ATOM 1066 OE1 GLU A 72 21.228 19.019 -23.236 1.00 33.13 O ATOM 1067 OE2 GLU A 72 22.225 17.113 -23.685 1.00 31.40 O ATOM 0 H GLU A 72 24.041 16.768 -19.910 1.00 41.44 H new ATOM 0 HA GLU A 72 24.160 19.508 -19.655 1.00 65.44 H new ATOM 0 HB2 GLU A 72 21.852 17.664 -20.372 1.00 23.42 H new ATOM 0 HB3 GLU A 72 21.780 19.404 -20.561 1.00 23.42 H new ATOM 0 HG2 GLU A 72 23.664 19.347 -22.135 1.00 2.43 H new ATOM 0 HG3 GLU A 72 23.848 17.622 -21.893 1.00 2.43 H new ATOM 1074 N ILE A 73 21.854 18.225 -17.649 1.00 12.51 N ATOM 1075 CA ILE A 73 21.085 18.484 -16.438 1.00 33.10 C ATOM 1076 C ILE A 73 21.998 18.863 -15.277 1.00 60.01 C ATOM 1077 O ILE A 73 21.675 19.746 -14.484 1.00 11.32 O ATOM 1078 CB ILE A 73 20.242 17.260 -16.035 1.00 34.24 C ATOM 1079 CG1 ILE A 73 19.260 16.899 -17.151 1.00 71.03 C ATOM 1080 CG2 ILE A 73 19.498 17.534 -14.736 1.00 72.30 C ATOM 1081 CD1 ILE A 73 18.593 15.555 -16.959 1.00 21.03 C ATOM 0 H ILE A 73 21.671 17.319 -18.080 1.00 12.51 H new ATOM 0 HA ILE A 73 20.419 19.318 -16.659 1.00 33.10 H new ATOM 0 HB ILE A 73 20.910 16.413 -15.877 1.00 34.24 H new ATOM 0 HG12 ILE A 73 18.493 17.671 -17.212 1.00 71.03 H new ATOM 0 HG13 ILE A 73 19.789 16.900 -18.104 1.00 71.03 H new ATOM 0 HG21 ILE A 73 18.907 16.660 -14.464 1.00 72.30 H new ATOM 0 HG22 ILE A 73 20.216 17.747 -13.944 1.00 72.30 H new ATOM 0 HG23 ILE A 73 18.838 18.391 -14.868 1.00 72.30 H new ATOM 0 HD11 ILE A 73 17.911 15.366 -17.788 1.00 21.03 H new ATOM 0 HD12 ILE A 73 19.352 14.773 -16.928 1.00 21.03 H new ATOM 0 HD13 ILE A 73 18.035 15.556 -16.023 1.00 21.03 H new ATOM 1093 N GLU A 74 23.141 18.190 -15.186 1.00 34.41 N ATOM 1094 CA GLU A 74 24.101 18.457 -14.122 1.00 44.31 C ATOM 1095 C GLU A 74 24.487 19.934 -14.096 1.00 32.42 C ATOM 1096 O GLU A 74 24.456 20.575 -13.046 1.00 43.11 O ATOM 1097 CB GLU A 74 25.352 17.595 -14.306 1.00 3.54 C ATOM 1098 CG GLU A 74 25.475 16.475 -13.286 1.00 54.24 C ATOM 1099 CD GLU A 74 25.685 16.990 -11.876 1.00 12.32 C ATOM 1100 OE1 GLU A 74 26.690 17.695 -11.646 1.00 22.32 O ATOM 1101 OE2 GLU A 74 24.845 16.689 -11.002 1.00 51.13 O ATOM 0 H GLU A 74 23.424 17.457 -15.836 1.00 34.41 H new ATOM 0 HA GLU A 74 23.631 18.205 -13.171 1.00 44.31 H new ATOM 0 HB2 GLU A 74 25.342 17.164 -15.307 1.00 3.54 H new ATOM 0 HB3 GLU A 74 26.234 18.232 -14.242 1.00 3.54 H new ATOM 0 HG2 GLU A 74 24.574 15.862 -13.314 1.00 54.24 H new ATOM 0 HG3 GLU A 74 26.309 15.829 -13.561 1.00 54.24 H new ATOM 1108 N MET A 75 24.850 20.465 -15.259 1.00 14.14 N ATOM 1109 CA MET A 75 25.241 21.866 -15.369 1.00 74.44 C ATOM 1110 C MET A 75 24.066 22.785 -15.051 1.00 34.21 C ATOM 1111 O MET A 75 24.240 23.844 -14.448 1.00 75.52 O ATOM 1112 CB MET A 75 25.768 22.161 -16.775 1.00 74.40 C ATOM 1113 CG MET A 75 27.170 21.629 -17.022 1.00 41.02 C ATOM 1114 SD MET A 75 28.217 22.811 -17.893 1.00 23.31 S ATOM 1115 CE MET A 75 29.831 22.072 -17.656 1.00 25.44 C ATOM 0 H MET A 75 24.882 19.947 -16.137 1.00 14.14 H new ATOM 0 HA MET A 75 26.033 22.054 -14.644 1.00 74.44 H new ATOM 0 HB2 MET A 75 25.089 21.725 -17.508 1.00 74.40 H new ATOM 0 HB3 MET A 75 25.763 23.239 -16.937 1.00 74.40 H new ATOM 0 HG2 MET A 75 27.631 21.375 -16.068 1.00 41.02 H new ATOM 0 HG3 MET A 75 27.108 20.708 -17.602 1.00 41.02 H new ATOM 0 HE1 MET A 75 30.593 22.851 -17.669 1.00 25.44 H new ATOM 0 HE2 MET A 75 29.857 21.555 -16.697 1.00 25.44 H new ATOM 0 HE3 MET A 75 30.026 21.360 -18.458 1.00 25.44 H new ATOM 1125 N ALA A 76 22.870 22.373 -15.460 1.00 41.11 N ATOM 1126 CA ALA A 76 21.667 23.159 -15.217 1.00 31.04 C ATOM 1127 C ALA A 76 21.364 23.251 -13.725 1.00 2.41 C ATOM 1128 O ALA A 76 20.824 24.252 -13.253 1.00 71.45 O ATOM 1129 CB ALA A 76 20.484 22.557 -15.961 1.00 0.51 C ATOM 0 H ALA A 76 22.709 21.499 -15.961 1.00 41.11 H new ATOM 0 HA ALA A 76 21.841 24.169 -15.589 1.00 31.04 H new ATOM 0 HB1 ALA A 76 19.592 23.154 -15.770 1.00 0.51 H new ATOM 0 HB2 ALA A 76 20.693 22.548 -17.031 1.00 0.51 H new ATOM 0 HB3 ALA A 76 20.318 21.537 -15.616 1.00 0.51 H new ATOM 1135 N GLN A 77 21.715 22.202 -12.988 1.00 42.24 N ATOM 1136 CA GLN A 77 21.479 22.166 -11.550 1.00 20.10 C ATOM 1137 C GLN A 77 22.255 23.272 -10.843 1.00 14.42 C ATOM 1138 O GLN A 77 21.676 24.095 -10.133 1.00 53.20 O ATOM 1139 CB GLN A 77 21.878 20.803 -10.981 1.00 11.34 C ATOM 1140 CG GLN A 77 20.724 19.818 -10.896 1.00 74.32 C ATOM 1141 CD GLN A 77 20.884 18.827 -9.760 1.00 62.22 C ATOM 1142 OE1 GLN A 77 21.679 19.039 -8.844 1.00 32.23 O ATOM 1143 NE2 GLN A 77 20.128 17.736 -9.814 1.00 45.23 N ATOM 0 H GLN A 77 22.164 21.366 -13.363 1.00 42.24 H new ATOM 0 HA GLN A 77 20.415 22.327 -11.378 1.00 20.10 H new ATOM 0 HB2 GLN A 77 22.665 20.375 -11.602 1.00 11.34 H new ATOM 0 HB3 GLN A 77 22.299 20.943 -9.985 1.00 11.34 H new ATOM 0 HG2 GLN A 77 19.792 20.367 -10.765 1.00 74.32 H new ATOM 0 HG3 GLN A 77 20.645 19.275 -11.838 1.00 74.32 H new ATOM 0 HE21 GLN A 77 19.482 17.601 -10.592 1.00 45.23 H new ATOM 0 HE22 GLN A 77 20.193 17.033 -9.077 1.00 45.23 H new ATOM 1152 N LYS A 78 23.568 23.287 -11.041 1.00 24.33 N ATOM 1153 CA LYS A 78 24.425 24.292 -10.423 1.00 53.43 C ATOM 1154 C LYS A 78 23.898 25.698 -10.696 1.00 35.51 C ATOM 1155 O LYS A 78 23.851 26.539 -9.798 1.00 4.41 O ATOM 1156 CB LYS A 78 25.857 24.163 -10.947 1.00 0.14 C ATOM 1157 CG LYS A 78 26.916 24.343 -9.872 1.00 54.13 C ATOM 1158 CD LYS A 78 28.318 24.271 -10.454 1.00 13.45 C ATOM 1159 CE LYS A 78 29.357 24.779 -9.466 1.00 22.33 C ATOM 1160 NZ LYS A 78 30.741 24.641 -9.998 1.00 3.44 N ATOM 0 H LYS A 78 24.063 22.614 -11.626 1.00 24.33 H new ATOM 0 HA LYS A 78 24.422 24.124 -9.346 1.00 53.43 H new ATOM 0 HB2 LYS A 78 25.980 23.182 -11.406 1.00 0.14 H new ATOM 0 HB3 LYS A 78 26.017 24.904 -11.730 1.00 0.14 H new ATOM 0 HG2 LYS A 78 26.775 25.304 -9.378 1.00 54.13 H new ATOM 0 HG3 LYS A 78 26.797 23.573 -9.110 1.00 54.13 H new ATOM 0 HD2 LYS A 78 28.547 23.241 -10.728 1.00 13.45 H new ATOM 0 HD3 LYS A 78 28.364 24.862 -11.369 1.00 13.45 H new ATOM 0 HE2 LYS A 78 29.159 25.826 -9.236 1.00 22.33 H new ATOM 0 HE3 LYS A 78 29.270 24.226 -8.531 1.00 22.33 H new ATOM 0 HZ1 LYS A 78 31.420 24.998 -9.296 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 30.939 23.639 -10.193 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 30.831 25.190 -10.877 1.00 3.44 H new ATOM 1174 N LEU A 79 23.500 25.944 -11.939 1.00 53.21 N ATOM 1175 CA LEU A 79 22.974 27.248 -12.330 1.00 33.34 C ATOM 1176 C LEU A 79 21.757 27.619 -11.487 1.00 64.32 C ATOM 1177 O LEU A 79 21.597 28.771 -11.083 1.00 1.04 O ATOM 1178 CB LEU A 79 22.600 27.245 -13.813 1.00 15.12 C ATOM 1179 CG LEU A 79 22.784 28.570 -14.554 1.00 21.30 C ATOM 1180 CD1 LEU A 79 24.040 28.531 -15.411 1.00 55.14 C ATOM 1181 CD2 LEU A 79 21.562 28.878 -15.407 1.00 45.23 C ATOM 0 H LEU A 79 23.531 25.258 -12.694 1.00 53.21 H new ATOM 0 HA LEU A 79 23.752 27.992 -12.160 1.00 33.34 H new ATOM 0 HB2 LEU A 79 23.197 26.484 -14.316 1.00 15.12 H new ATOM 0 HB3 LEU A 79 21.557 26.943 -13.903 1.00 15.12 H new ATOM 0 HG LEU A 79 22.896 29.365 -13.817 1.00 21.30 H new ATOM 0 HD11 LEU A 79 24.155 29.482 -15.931 1.00 55.14 H new ATOM 0 HD12 LEU A 79 24.909 28.357 -14.776 1.00 55.14 H new ATOM 0 HD13 LEU A 79 23.957 27.726 -16.141 1.00 55.14 H new ATOM 0 HD21 LEU A 79 21.710 29.824 -15.927 1.00 45.23 H new ATOM 0 HD22 LEU A 79 21.418 28.082 -16.137 1.00 45.23 H new ATOM 0 HD23 LEU A 79 20.681 28.949 -14.769 1.00 45.23 H new ATOM 1193 N LEU A 80 20.904 26.635 -11.225 1.00 10.23 N ATOM 1194 CA LEU A 80 19.702 26.857 -10.428 1.00 4.22 C ATOM 1195 C LEU A 80 20.052 27.468 -9.075 1.00 14.44 C ATOM 1196 O LEU A 80 19.471 28.474 -8.668 1.00 70.13 O ATOM 1197 CB LEU A 80 18.950 25.541 -10.227 1.00 34.14 C ATOM 1198 CG LEU A 80 17.488 25.663 -9.793 1.00 24.24 C ATOM 1199 CD1 LEU A 80 16.605 26.003 -10.983 1.00 12.24 C ATOM 1200 CD2 LEU A 80 17.020 24.376 -9.129 1.00 0.01 C ATOM 0 H LEU A 80 21.022 25.676 -11.552 1.00 10.23 H new ATOM 0 HA LEU A 80 19.062 27.555 -10.967 1.00 4.22 H new ATOM 0 HB2 LEU A 80 18.985 24.979 -11.160 1.00 34.14 H new ATOM 0 HB3 LEU A 80 19.482 24.952 -9.480 1.00 34.14 H new ATOM 0 HG LEU A 80 17.410 26.472 -9.067 1.00 24.24 H new ATOM 0 HD11 LEU A 80 15.569 26.086 -10.655 1.00 12.24 H new ATOM 0 HD12 LEU A 80 16.926 26.951 -11.415 1.00 12.24 H new ATOM 0 HD13 LEU A 80 16.687 25.216 -11.733 1.00 12.24 H new ATOM 0 HD21 LEU A 80 15.978 24.481 -8.827 1.00 0.01 H new ATOM 0 HD22 LEU A 80 17.112 23.549 -9.833 1.00 0.01 H new ATOM 0 HD23 LEU A 80 17.634 24.175 -8.251 1.00 0.01 H new ATOM 1212 N ASN A 81 21.006 26.855 -8.382 1.00 71.54 N ATOM 1213 CA ASN A 81 21.434 27.339 -7.075 1.00 41.42 C ATOM 1214 C ASN A 81 21.783 28.823 -7.133 1.00 42.41 C ATOM 1215 O ASN A 81 21.258 29.626 -6.361 1.00 24.41 O ATOM 1216 CB ASN A 81 22.641 26.539 -6.582 1.00 31.14 C ATOM 1217 CG ASN A 81 23.066 26.939 -5.182 1.00 24.51 C ATOM 1218 OD1 ASN A 81 24.248 27.162 -4.921 1.00 5.15 O ATOM 1219 ND2 ASN A 81 22.102 27.030 -4.274 1.00 33.01 N ATOM 0 H ASN A 81 21.498 26.021 -8.704 1.00 71.54 H new ATOM 0 HA ASN A 81 20.608 27.205 -6.377 1.00 41.42 H new ATOM 0 HB2 ASN A 81 22.399 25.476 -6.596 1.00 31.14 H new ATOM 0 HB3 ASN A 81 23.475 26.685 -7.268 1.00 31.14 H new ATOM 0 HD21 ASN A 81 22.328 27.294 -3.315 1.00 33.01 H new ATOM 0 HD22 ASN A 81 21.135 26.836 -4.535 1.00 33.01 H new ATOM 1226 N SER A 82 22.672 29.181 -8.054 1.00 42.12 N ATOM 1227 CA SER A 82 23.094 30.568 -8.211 1.00 42.14 C ATOM 1228 C SER A 82 21.887 31.491 -8.351 1.00 62.32 C ATOM 1229 O SER A 82 21.815 32.538 -7.709 1.00 1.43 O ATOM 1230 CB SER A 82 24.004 30.711 -9.433 1.00 1.21 C ATOM 1231 OG SER A 82 24.730 31.927 -9.388 1.00 44.22 O ATOM 0 H SER A 82 23.114 28.530 -8.703 1.00 42.12 H new ATOM 0 HA SER A 82 23.648 30.856 -7.318 1.00 42.14 H new ATOM 0 HB2 SER A 82 24.697 29.871 -9.474 1.00 1.21 H new ATOM 0 HB3 SER A 82 23.405 30.675 -10.343 1.00 1.21 H new ATOM 0 HG SER A 82 25.305 31.994 -10.179 1.00 44.22 H new ATOM 1237 N ASP A 83 20.942 31.093 -9.195 1.00 54.34 N ATOM 1238 CA ASP A 83 19.736 31.883 -9.420 1.00 63.31 C ATOM 1239 C ASP A 83 19.001 32.137 -8.108 1.00 51.20 C ATOM 1240 O ASP A 83 18.529 33.246 -7.853 1.00 44.21 O ATOM 1241 CB ASP A 83 18.811 31.170 -10.408 1.00 1.31 C ATOM 1242 CG ASP A 83 19.344 31.203 -11.827 1.00 13.11 C ATOM 1243 OD1 ASP A 83 19.446 32.310 -12.396 1.00 63.42 O ATOM 1244 OD2 ASP A 83 19.657 30.122 -12.369 1.00 1.15 O ATOM 0 H ASP A 83 20.987 30.229 -9.735 1.00 54.34 H new ATOM 0 HA ASP A 83 20.033 32.844 -9.841 1.00 63.31 H new ATOM 0 HB2 ASP A 83 18.680 30.134 -10.096 1.00 1.31 H new ATOM 0 HB3 ASP A 83 17.827 31.637 -10.382 1.00 1.31 H new ATOM 1249 N LEU A 84 18.906 31.103 -7.279 1.00 55.42 N ATOM 1250 CA LEU A 84 18.226 31.214 -5.993 1.00 2.10 C ATOM 1251 C LEU A 84 18.753 32.405 -5.200 1.00 4.45 C ATOM 1252 O LEU A 84 17.996 33.302 -4.829 1.00 73.45 O ATOM 1253 CB LEU A 84 18.409 29.928 -5.185 1.00 74.13 C ATOM 1254 CG LEU A 84 17.584 29.819 -3.902 1.00 25.30 C ATOM 1255 CD1 LEU A 84 16.112 30.069 -4.190 1.00 4.51 C ATOM 1256 CD2 LEU A 84 17.779 28.454 -3.258 1.00 32.31 C ATOM 0 H LEU A 84 19.291 30.179 -7.474 1.00 55.42 H new ATOM 0 HA LEU A 84 17.164 31.369 -6.183 1.00 2.10 H new ATOM 0 HB2 LEU A 84 18.161 29.082 -5.826 1.00 74.13 H new ATOM 0 HB3 LEU A 84 19.463 29.833 -4.925 1.00 74.13 H new ATOM 0 HG LEU A 84 17.930 30.581 -3.204 1.00 25.30 H new ATOM 0 HD11 LEU A 84 15.541 29.987 -3.265 1.00 4.51 H new ATOM 0 HD12 LEU A 84 15.987 31.069 -4.606 1.00 4.51 H new ATOM 0 HD13 LEU A 84 15.751 29.331 -4.906 1.00 4.51 H new ATOM 0 HD21 LEU A 84 17.185 28.394 -2.346 1.00 32.31 H new ATOM 0 HD22 LEU A 84 17.460 27.676 -3.951 1.00 32.31 H new ATOM 0 HD23 LEU A 84 18.832 28.314 -3.015 1.00 32.31 H new ATOM 1268 N ALA A 85 20.058 32.409 -4.944 1.00 34.14 N ATOM 1269 CA ALA A 85 20.687 33.492 -4.198 1.00 71.12 C ATOM 1270 C ALA A 85 20.424 34.840 -4.861 1.00 72.20 C ATOM 1271 O ALA A 85 20.252 35.852 -4.182 1.00 61.25 O ATOM 1272 CB ALA A 85 22.183 33.246 -4.073 1.00 2.33 C ATOM 0 H ALA A 85 20.700 31.674 -5.242 1.00 34.14 H new ATOM 0 HA ALA A 85 20.249 33.516 -3.200 1.00 71.12 H new ATOM 0 HB1 ALA A 85 22.640 34.062 -3.514 1.00 2.33 H new ATOM 0 HB2 ALA A 85 22.355 32.306 -3.549 1.00 2.33 H new ATOM 0 HB3 ALA A 85 22.627 33.193 -5.067 1.00 2.33 H new ATOM 1278 N GLU A 86 20.395 34.845 -6.190 1.00 75.11 N ATOM 1279 CA GLU A 86 20.154 36.070 -6.943 1.00 51.04 C ATOM 1280 C GLU A 86 18.747 36.602 -6.683 1.00 24.42 C ATOM 1281 O GLU A 86 18.555 37.798 -6.460 1.00 73.34 O ATOM 1282 CB GLU A 86 20.347 35.821 -8.441 1.00 24.33 C ATOM 1283 CG GLU A 86 19.234 36.392 -9.302 1.00 14.22 C ATOM 1284 CD GLU A 86 19.560 36.350 -10.782 1.00 22.41 C ATOM 1285 OE1 GLU A 86 20.358 37.194 -11.239 1.00 4.25 O ATOM 1286 OE2 GLU A 86 19.017 35.471 -11.484 1.00 22.54 O ATOM 0 H GLU A 86 20.535 34.015 -6.767 1.00 75.11 H new ATOM 0 HA GLU A 86 20.874 36.817 -6.610 1.00 51.04 H new ATOM 0 HB2 GLU A 86 21.296 36.256 -8.754 1.00 24.33 H new ATOM 0 HB3 GLU A 86 20.416 34.747 -8.616 1.00 24.33 H new ATOM 0 HG2 GLU A 86 18.316 35.833 -9.120 1.00 14.22 H new ATOM 0 HG3 GLU A 86 19.043 37.423 -9.005 1.00 14.22 H new ATOM 1293 N LEU A 87 17.768 35.705 -6.712 1.00 73.04 N ATOM 1294 CA LEU A 87 16.378 36.082 -6.480 1.00 12.40 C ATOM 1295 C LEU A 87 16.180 36.579 -5.051 1.00 41.35 C ATOM 1296 O LEU A 87 15.749 37.712 -4.832 1.00 73.40 O ATOM 1297 CB LEU A 87 15.454 34.894 -6.751 1.00 71.21 C ATOM 1298 CG LEU A 87 15.647 34.186 -8.093 1.00 14.22 C ATOM 1299 CD1 LEU A 87 15.523 32.680 -7.925 1.00 34.15 C ATOM 1300 CD2 LEU A 87 14.640 34.695 -9.114 1.00 13.32 C ATOM 0 H LEU A 87 17.911 34.712 -6.894 1.00 73.04 H new ATOM 0 HA LEU A 87 16.128 36.892 -7.165 1.00 12.40 H new ATOM 0 HB2 LEU A 87 15.592 34.163 -5.954 1.00 71.21 H new ATOM 0 HB3 LEU A 87 14.422 35.241 -6.691 1.00 71.21 H new ATOM 0 HG LEU A 87 16.649 34.409 -8.458 1.00 14.22 H new ATOM 0 HD11 LEU A 87 15.663 32.193 -8.890 1.00 34.15 H new ATOM 0 HD12 LEU A 87 16.283 32.328 -7.227 1.00 34.15 H new ATOM 0 HD13 LEU A 87 14.534 32.437 -7.537 1.00 34.15 H new ATOM 0 HD21 LEU A 87 14.792 34.180 -10.063 1.00 13.32 H new ATOM 0 HD22 LEU A 87 13.629 34.503 -8.755 1.00 13.32 H new ATOM 0 HD23 LEU A 87 14.777 35.767 -9.257 1.00 13.32 H new ATOM 1312 N ILE A 88 16.500 35.726 -4.084 1.00 42.43 N ATOM 1313 CA ILE A 88 16.361 36.080 -2.677 1.00 53.52 C ATOM 1314 C ILE A 88 17.066 37.397 -2.369 1.00 60.11 C ATOM 1315 O ILE A 88 16.559 38.221 -1.609 1.00 44.02 O ATOM 1316 CB ILE A 88 16.928 34.980 -1.761 1.00 2.30 C ATOM 1317 CG1 ILE A 88 16.270 33.635 -2.074 1.00 53.24 C ATOM 1318 CG2 ILE A 88 16.722 35.349 -0.300 1.00 13.54 C ATOM 1319 CD1 ILE A 88 14.767 33.644 -1.905 1.00 14.23 C ATOM 0 H ILE A 88 16.857 34.785 -4.249 1.00 42.43 H new ATOM 0 HA ILE A 88 15.294 36.188 -2.483 1.00 53.52 H new ATOM 0 HB ILE A 88 17.999 34.891 -1.946 1.00 2.30 H new ATOM 0 HG12 ILE A 88 16.511 33.352 -3.099 1.00 53.24 H new ATOM 0 HG13 ILE A 88 16.696 32.871 -1.424 1.00 53.24 H new ATOM 0 HG21 ILE A 88 17.128 34.562 0.335 1.00 13.54 H new ATOM 0 HG22 ILE A 88 17.234 36.287 -0.086 1.00 13.54 H new ATOM 0 HG23 ILE A 88 15.657 35.463 -0.100 1.00 13.54 H new ATOM 0 HD11 ILE A 88 14.368 32.658 -2.144 1.00 14.23 H new ATOM 0 HD12 ILE A 88 14.518 33.896 -0.874 1.00 14.23 H new ATOM 0 HD13 ILE A 88 14.330 34.384 -2.575 1.00 14.23 H new ATOM 1331 N ASN A 89 18.238 37.588 -2.966 1.00 70.12 N ATOM 1332 CA ASN A 89 19.013 38.805 -2.757 1.00 1.43 C ATOM 1333 C ASN A 89 18.251 40.028 -3.258 1.00 42.40 C ATOM 1334 O ASN A 89 18.019 40.979 -2.511 1.00 31.35 O ATOM 1335 CB ASN A 89 20.363 38.704 -3.469 1.00 42.23 C ATOM 1336 CG ASN A 89 21.399 37.966 -2.644 1.00 31.42 C ATOM 1337 OD1 ASN A 89 21.080 37.373 -1.613 1.00 74.31 O ATOM 1338 ND2 ASN A 89 22.648 37.999 -3.094 1.00 74.43 N ATOM 0 H ASN A 89 18.672 36.915 -3.598 1.00 70.12 H new ATOM 0 HA ASN A 89 19.183 38.918 -1.686 1.00 1.43 H new ATOM 0 HB2 ASN A 89 20.230 38.192 -4.422 1.00 42.23 H new ATOM 0 HB3 ASN A 89 20.728 39.706 -3.693 1.00 42.23 H new ATOM 0 HD21 ASN A 89 23.388 37.521 -2.580 1.00 74.43 H new ATOM 0 HD22 ASN A 89 22.867 38.503 -3.953 1.00 74.43 H new ATOM 1345 N LYS A 90 17.864 39.997 -4.529 1.00 13.34 N ATOM 1346 CA LYS A 90 17.126 41.101 -5.131 1.00 41.23 C ATOM 1347 C LYS A 90 15.913 41.472 -4.284 1.00 71.32 C ATOM 1348 O LYS A 90 15.692 42.643 -3.980 1.00 14.34 O ATOM 1349 CB LYS A 90 16.679 40.730 -6.547 1.00 12.10 C ATOM 1350 CG LYS A 90 17.831 40.535 -7.517 1.00 52.45 C ATOM 1351 CD LYS A 90 18.280 41.855 -8.122 1.00 55.13 C ATOM 1352 CE LYS A 90 19.402 41.654 -9.129 1.00 21.03 C ATOM 1353 NZ LYS A 90 18.974 40.805 -10.275 1.00 51.40 N ATOM 0 H LYS A 90 18.049 39.219 -5.162 1.00 13.34 H new ATOM 0 HA LYS A 90 17.789 41.964 -5.180 1.00 41.23 H new ATOM 0 HB2 LYS A 90 16.091 39.813 -6.505 1.00 12.10 H new ATOM 0 HB3 LYS A 90 16.022 41.512 -6.928 1.00 12.10 H new ATOM 0 HG2 LYS A 90 18.669 40.067 -6.999 1.00 52.45 H new ATOM 0 HG3 LYS A 90 17.527 39.854 -8.312 1.00 52.45 H new ATOM 0 HD2 LYS A 90 17.434 42.339 -8.610 1.00 55.13 H new ATOM 0 HD3 LYS A 90 18.616 42.524 -7.330 1.00 55.13 H new ATOM 0 HE2 LYS A 90 19.735 42.623 -9.500 1.00 21.03 H new ATOM 0 HE3 LYS A 90 20.256 41.192 -8.634 1.00 21.03 H new ATOM 0 HZ1 LYS A 90 19.661 40.896 -11.050 1.00 51.40 H new ATOM 0 HZ2 LYS A 90 18.925 39.811 -9.972 1.00 51.40 H new ATOM 0 HZ3 LYS A 90 18.037 41.113 -10.605 1.00 51.40 H new ATOM 1367 N MET A 91 15.131 40.466 -3.906 1.00 24.51 N ATOM 1368 CA MET A 91 13.942 40.687 -3.091 1.00 62.43 C ATOM 1369 C MET A 91 14.297 41.413 -1.798 1.00 32.35 C ATOM 1370 O MET A 91 13.635 42.377 -1.413 1.00 34.31 O ATOM 1371 CB MET A 91 13.262 39.354 -2.772 1.00 12.11 C ATOM 1372 CG MET A 91 11.846 39.507 -2.240 1.00 21.22 C ATOM 1373 SD MET A 91 11.776 39.495 -0.438 1.00 62.52 S ATOM 1374 CE MET A 91 10.030 39.785 -0.165 1.00 40.21 C ATOM 0 H MET A 91 15.299 39.490 -4.151 1.00 24.51 H new ATOM 0 HA MET A 91 13.253 41.311 -3.659 1.00 62.43 H new ATOM 0 HB2 MET A 91 13.239 38.742 -3.674 1.00 12.11 H new ATOM 0 HB3 MET A 91 13.861 38.816 -2.037 1.00 12.11 H new ATOM 0 HG2 MET A 91 11.422 40.440 -2.610 1.00 21.22 H new ATOM 0 HG3 MET A 91 11.226 38.699 -2.629 1.00 21.22 H new ATOM 0 HE1 MET A 91 9.886 40.789 0.234 1.00 40.21 H new ATOM 0 HE2 MET A 91 9.493 39.689 -1.109 1.00 40.21 H new ATOM 0 HE3 MET A 91 9.647 39.054 0.547 1.00 40.21 H new ATOM 1384 N LYS A 92 15.345 40.944 -1.129 1.00 62.24 N ATOM 1385 CA LYS A 92 15.789 41.549 0.121 1.00 61.50 C ATOM 1386 C LYS A 92 15.978 43.054 -0.040 1.00 24.54 C ATOM 1387 O LYS A 92 15.744 43.822 0.894 1.00 5.12 O ATOM 1388 CB LYS A 92 17.098 40.906 0.586 1.00 71.12 C ATOM 1389 CG LYS A 92 16.950 39.449 0.990 1.00 2.20 C ATOM 1390 CD LYS A 92 16.963 39.286 2.501 1.00 74.33 C ATOM 1391 CE LYS A 92 16.511 37.893 2.914 1.00 10.53 C ATOM 1392 NZ LYS A 92 16.438 37.751 4.395 1.00 52.21 N ATOM 0 H LYS A 92 15.903 40.146 -1.432 1.00 62.24 H new ATOM 0 HA LYS A 92 15.019 41.376 0.873 1.00 61.50 H new ATOM 0 HB2 LYS A 92 17.834 40.979 -0.215 1.00 71.12 H new ATOM 0 HB3 LYS A 92 17.490 41.471 1.432 1.00 71.12 H new ATOM 0 HG2 LYS A 92 16.018 39.052 0.588 1.00 2.20 H new ATOM 0 HG3 LYS A 92 17.760 38.865 0.553 1.00 2.20 H new ATOM 0 HD2 LYS A 92 17.968 39.471 2.880 1.00 74.33 H new ATOM 0 HD3 LYS A 92 16.310 40.031 2.954 1.00 74.33 H new ATOM 0 HE2 LYS A 92 15.533 37.685 2.480 1.00 10.53 H new ATOM 0 HE3 LYS A 92 17.202 37.152 2.512 1.00 10.53 H new ATOM 0 HZ1 LYS A 92 16.062 36.812 4.636 1.00 52.21 H new ATOM 0 HZ2 LYS A 92 17.389 37.858 4.801 1.00 52.21 H new ATOM 0 HZ3 LYS A 92 15.811 38.484 4.784 1.00 52.21 H new ATOM 1406 N LEU A 93 16.402 43.468 -1.228 1.00 55.35 N ATOM 1407 CA LEU A 93 16.621 44.882 -1.512 1.00 14.51 C ATOM 1408 C LEU A 93 15.295 45.633 -1.594 1.00 3.11 C ATOM 1409 O LEU A 93 15.092 46.631 -0.903 1.00 21.01 O ATOM 1410 CB LEU A 93 17.395 45.047 -2.821 1.00 75.52 C ATOM 1411 CG LEU A 93 18.775 44.391 -2.872 1.00 31.34 C ATOM 1412 CD1 LEU A 93 19.131 44.006 -4.299 1.00 43.22 C ATOM 1413 CD2 LEU A 93 19.829 45.321 -2.289 1.00 31.11 C ATOM 0 H LEU A 93 16.601 42.845 -2.011 1.00 55.35 H new ATOM 0 HA LEU A 93 17.207 45.304 -0.695 1.00 14.51 H new ATOM 0 HB2 LEU A 93 16.791 44.639 -3.631 1.00 75.52 H new ATOM 0 HB3 LEU A 93 17.514 46.113 -3.018 1.00 75.52 H new ATOM 0 HG LEU A 93 18.747 43.483 -2.270 1.00 31.34 H new ATOM 0 HD11 LEU A 93 20.117 43.541 -4.315 1.00 43.22 H new ATOM 0 HD12 LEU A 93 18.391 43.303 -4.681 1.00 43.22 H new ATOM 0 HD13 LEU A 93 19.141 44.898 -4.925 1.00 43.22 H new ATOM 0 HD21 LEU A 93 20.805 44.838 -2.333 1.00 31.11 H new ATOM 0 HD22 LEU A 93 19.856 46.247 -2.864 1.00 31.11 H new ATOM 0 HD23 LEU A 93 19.582 45.546 -1.251 1.00 31.11 H new ATOM 1425 N ALA A 94 14.396 45.145 -2.442 1.00 30.33 N ATOM 1426 CA ALA A 94 13.089 45.767 -2.611 1.00 34.33 C ATOM 1427 C ALA A 94 12.371 45.909 -1.273 1.00 23.15 C ATOM 1428 O ALA A 94 11.538 46.797 -1.097 1.00 12.11 O ATOM 1429 CB ALA A 94 12.241 44.959 -3.583 1.00 24.24 C ATOM 0 H ALA A 94 14.549 44.321 -3.023 1.00 30.33 H new ATOM 0 HA ALA A 94 13.240 46.766 -3.021 1.00 34.33 H new ATOM 0 HB1 ALA A 94 11.268 45.435 -3.699 1.00 24.24 H new ATOM 0 HB2 ALA A 94 12.741 44.913 -4.551 1.00 24.24 H new ATOM 0 HB3 ALA A 94 12.107 43.949 -3.196 1.00 24.24 H new ATOM 1435 N GLN A 95 12.701 45.028 -0.333 1.00 53.23 N ATOM 1436 CA GLN A 95 12.086 45.056 0.989 1.00 72.14 C ATOM 1437 C GLN A 95 12.496 46.310 1.753 1.00 12.15 C ATOM 1438 O GLN A 95 11.748 46.806 2.596 1.00 41.24 O ATOM 1439 CB GLN A 95 12.478 43.809 1.783 1.00 72.21 C ATOM 1440 CG GLN A 95 11.450 42.691 1.707 1.00 1.31 C ATOM 1441 CD GLN A 95 10.502 42.689 2.890 1.00 1.11 C ATOM 1442 OE1 GLN A 95 10.753 42.032 3.901 1.00 64.24 O ATOM 1443 NE2 GLN A 95 9.404 43.427 2.771 1.00 63.42 N ATOM 0 H GLN A 95 13.390 44.287 -0.463 1.00 53.23 H new ATOM 0 HA GLN A 95 11.004 45.070 0.859 1.00 72.14 H new ATOM 0 HB2 GLN A 95 13.434 43.438 1.413 1.00 72.21 H new ATOM 0 HB3 GLN A 95 12.626 44.085 2.827 1.00 72.21 H new ATOM 0 HG2 GLN A 95 10.876 42.793 0.786 1.00 1.31 H new ATOM 0 HG3 GLN A 95 11.965 41.732 1.657 1.00 1.31 H new ATOM 0 HE21 GLN A 95 9.235 43.956 1.915 1.00 63.42 H new ATOM 0 HE22 GLN A 95 8.730 43.465 3.535 1.00 63.42 H new ATOM 1452 N GLN A 96 13.688 46.817 1.454 1.00 34.43 N ATOM 1453 CA GLN A 96 14.197 48.012 2.115 1.00 13.42 C ATOM 1454 C GLN A 96 14.058 49.234 1.213 1.00 70.03 C ATOM 1455 O GLN A 96 14.025 50.369 1.688 1.00 1.24 O ATOM 1456 CB GLN A 96 15.662 47.818 2.509 1.00 11.43 C ATOM 1457 CG GLN A 96 16.600 47.693 1.320 1.00 44.41 C ATOM 1458 CD GLN A 96 18.051 47.924 1.694 1.00 21.15 C ATOM 1459 OE1 GLN A 96 18.744 47.006 2.136 1.00 53.34 O ATOM 1460 NE2 GLN A 96 18.520 49.154 1.520 1.00 14.11 N ATOM 0 H GLN A 96 14.319 46.419 0.758 1.00 34.43 H new ATOM 0 HA GLN A 96 13.605 48.178 3.015 1.00 13.42 H new ATOM 0 HB2 GLN A 96 15.979 48.660 3.124 1.00 11.43 H new ATOM 0 HB3 GLN A 96 15.748 46.923 3.125 1.00 11.43 H new ATOM 0 HG2 GLN A 96 16.495 46.700 0.882 1.00 44.41 H new ATOM 0 HG3 GLN A 96 16.307 48.411 0.554 1.00 44.41 H new ATOM 0 HE21 GLN A 96 17.911 49.885 1.151 1.00 14.11 H new ATOM 0 HE22 GLN A 96 19.489 49.368 1.755 1.00 14.11 H new ATOM 1469 N TYR A 97 13.978 48.994 -0.091 1.00 74.32 N ATOM 1470 CA TYR A 97 13.845 50.075 -1.061 1.00 23.42 C ATOM 1471 C TYR A 97 12.382 50.298 -1.431 1.00 43.32 C ATOM 1472 O TYR A 97 12.072 50.779 -2.521 1.00 61.45 O ATOM 1473 CB TYR A 97 14.659 49.763 -2.318 1.00 24.13 C ATOM 1474 CG TYR A 97 16.150 49.940 -2.134 1.00 14.35 C ATOM 1475 CD1 TYR A 97 16.709 51.206 -2.014 1.00 40.44 C ATOM 1476 CD2 TYR A 97 16.998 48.841 -2.078 1.00 0.34 C ATOM 1477 CE1 TYR A 97 18.070 51.373 -1.847 1.00 1.12 C ATOM 1478 CE2 TYR A 97 18.360 48.998 -1.909 1.00 2.42 C ATOM 1479 CZ TYR A 97 18.891 50.266 -1.794 1.00 44.24 C ATOM 1480 OH TYR A 97 20.248 50.428 -1.626 1.00 75.11 O ATOM 0 H TYR A 97 14.003 48.060 -0.501 1.00 74.32 H new ATOM 0 HA TYR A 97 14.229 50.988 -0.605 1.00 23.42 H new ATOM 0 HB2 TYR A 97 14.459 48.736 -2.625 1.00 24.13 H new ATOM 0 HB3 TYR A 97 14.322 50.409 -3.128 1.00 24.13 H new ATOM 0 HD1 TYR A 97 16.068 52.075 -2.052 1.00 40.44 H new ATOM 0 HD2 TYR A 97 16.585 47.847 -2.168 1.00 0.34 H new ATOM 0 HE1 TYR A 97 18.489 52.365 -1.758 1.00 1.12 H new ATOM 0 HE2 TYR A 97 19.005 48.133 -1.867 1.00 2.42 H new ATOM 0 HH TYR A 97 20.683 49.550 -1.609 1.00 75.11 H new ATOM 1490 N VAL A 98 11.486 49.947 -0.515 1.00 22.54 N ATOM 1491 CA VAL A 98 10.055 50.110 -0.742 1.00 63.32 C ATOM 1492 C VAL A 98 9.505 51.294 0.045 1.00 61.31 C ATOM 1493 O VAL A 98 8.599 51.989 -0.413 1.00 41.22 O ATOM 1494 CB VAL A 98 9.276 48.840 -0.350 1.00 43.12 C ATOM 1495 CG1 VAL A 98 9.591 48.442 1.084 1.00 53.02 C ATOM 1496 CG2 VAL A 98 7.782 49.053 -0.538 1.00 12.44 C ATOM 0 H VAL A 98 11.726 49.547 0.392 1.00 22.54 H new ATOM 0 HA VAL A 98 9.923 50.294 -1.808 1.00 63.32 H new ATOM 0 HB VAL A 98 9.588 48.026 -1.004 1.00 43.12 H new ATOM 0 HG11 VAL A 98 9.032 47.543 1.343 1.00 53.02 H new ATOM 0 HG12 VAL A 98 10.659 48.246 1.181 1.00 53.02 H new ATOM 0 HG13 VAL A 98 9.308 49.252 1.757 1.00 53.02 H new ATOM 0 HG21 VAL A 98 7.247 48.146 -0.256 1.00 12.44 H new ATOM 0 HG22 VAL A 98 7.450 49.880 0.090 1.00 12.44 H new ATOM 0 HG23 VAL A 98 7.576 49.286 -1.583 1.00 12.44 H new ATOM 1506 N MET A 99 10.060 51.517 1.232 1.00 54.12 N ATOM 1507 CA MET A 99 9.625 52.619 2.083 1.00 62.04 C ATOM 1508 C MET A 99 10.158 53.950 1.562 1.00 11.23 C ATOM 1509 O MET A 99 9.658 55.016 1.924 1.00 34.35 O ATOM 1510 CB MET A 99 10.094 52.396 3.522 1.00 42.04 C ATOM 1511 CG MET A 99 11.579 52.650 3.723 1.00 64.11 C ATOM 1512 SD MET A 99 11.909 54.205 4.573 1.00 2.24 S ATOM 1513 CE MET A 99 13.689 54.123 4.752 1.00 65.24 C ATOM 0 H MET A 99 10.811 50.950 1.626 1.00 54.12 H new ATOM 0 HA MET A 99 8.536 52.652 2.065 1.00 62.04 H new ATOM 0 HB2 MET A 99 9.529 53.051 4.185 1.00 42.04 H new ATOM 0 HB3 MET A 99 9.866 51.371 3.815 1.00 42.04 H new ATOM 0 HG2 MET A 99 12.010 51.829 4.296 1.00 64.11 H new ATOM 0 HG3 MET A 99 12.077 52.658 2.753 1.00 64.11 H new ATOM 0 HE1 MET A 99 13.977 54.535 5.719 1.00 65.24 H new ATOM 0 HE2 MET A 99 14.014 53.084 4.688 1.00 65.24 H new ATOM 0 HE3 MET A 99 14.162 54.700 3.957 1.00 65.24 H new ATOM 1523 N THR A 100 11.176 53.883 0.710 1.00 25.15 N ATOM 1524 CA THR A 100 11.778 55.083 0.142 1.00 72.52 C ATOM 1525 C THR A 100 11.017 55.545 -1.096 1.00 23.02 C ATOM 1526 O THR A 100 10.268 56.520 -1.047 1.00 35.00 O ATOM 1527 CB THR A 100 13.253 54.847 -0.234 1.00 51.42 C ATOM 1528 OG1 THR A 100 13.401 53.568 -0.861 1.00 11.41 O ATOM 1529 CG2 THR A 100 14.143 54.920 0.997 1.00 4.41 C ATOM 0 H THR A 100 11.601 53.010 0.398 1.00 25.15 H new ATOM 0 HA THR A 100 11.726 55.857 0.908 1.00 72.52 H new ATOM 0 HB THR A 100 13.557 55.629 -0.930 1.00 51.42 H new ATOM 0 HG1 THR A 100 14.341 53.427 -1.098 1.00 11.41 H new ATOM 0 HG21 THR A 100 15.180 54.750 0.707 1.00 4.41 H new ATOM 0 HG22 THR A 100 14.051 55.905 1.455 1.00 4.41 H new ATOM 0 HG23 THR A 100 13.837 54.157 1.713 1.00 4.41 H new ATOM 1537 N SER A 101 11.215 54.839 -2.204 1.00 70.24 N ATOM 1538 CA SER A 101 10.550 55.179 -3.456 1.00 55.35 C ATOM 1539 C SER A 101 10.984 54.238 -4.576 1.00 40.30 C ATOM 1540 O SER A 101 10.203 53.920 -5.474 1.00 1.40 O ATOM 1541 CB SER A 101 10.856 56.627 -3.844 1.00 41.21 C ATOM 1542 OG SER A 101 10.623 56.846 -5.225 1.00 24.33 O ATOM 0 H SER A 101 11.831 54.028 -2.260 1.00 70.24 H new ATOM 0 HA SER A 101 9.476 55.069 -3.309 1.00 55.35 H new ATOM 0 HB2 SER A 101 10.236 57.303 -3.256 1.00 41.21 H new ATOM 0 HB3 SER A 101 11.894 56.859 -3.606 1.00 41.21 H new ATOM 0 HG SER A 101 10.824 57.779 -5.447 1.00 24.33 H new ATOM 1548 N LEU A 102 12.235 53.796 -4.516 1.00 22.10 N ATOM 1549 CA LEU A 102 12.776 52.891 -5.524 1.00 72.32 C ATOM 1550 C LEU A 102 12.243 51.475 -5.327 1.00 2.13 C ATOM 1551 O LEU A 102 12.990 50.566 -4.967 1.00 23.13 O ATOM 1552 CB LEU A 102 14.304 52.885 -5.466 1.00 44.41 C ATOM 1553 CG LEU A 102 14.974 54.247 -5.276 1.00 14.03 C ATOM 1554 CD1 LEU A 102 16.487 54.099 -5.247 1.00 32.23 C ATOM 1555 CD2 LEU A 102 14.551 55.208 -6.378 1.00 31.34 C ATOM 0 H LEU A 102 12.894 54.050 -3.780 1.00 22.10 H new ATOM 0 HA LEU A 102 12.457 53.247 -6.504 1.00 72.32 H new ATOM 0 HB2 LEU A 102 14.614 52.233 -4.649 1.00 44.41 H new ATOM 0 HB3 LEU A 102 14.681 52.443 -6.388 1.00 44.41 H new ATOM 0 HG LEU A 102 14.652 54.658 -4.319 1.00 14.03 H new ATOM 0 HD11 LEU A 102 16.946 55.078 -5.111 1.00 32.23 H new ATOM 0 HD12 LEU A 102 16.773 53.447 -4.422 1.00 32.23 H new ATOM 0 HD13 LEU A 102 16.828 53.666 -6.187 1.00 32.23 H new ATOM 0 HD21 LEU A 102 15.037 56.172 -6.227 1.00 31.34 H new ATOM 0 HD22 LEU A 102 14.843 54.802 -7.347 1.00 31.34 H new ATOM 0 HD23 LEU A 102 13.469 55.339 -6.351 1.00 31.34 H new ATOM 1567 N GLN A 103 10.948 51.297 -5.567 1.00 22.21 N ATOM 1568 CA GLN A 103 10.317 49.991 -5.417 1.00 14.23 C ATOM 1569 C GLN A 103 10.286 49.245 -6.746 1.00 51.15 C ATOM 1570 O GLN A 103 10.918 48.200 -6.896 1.00 74.33 O ATOM 1571 CB GLN A 103 8.895 50.148 -4.874 1.00 2.25 C ATOM 1572 CG GLN A 103 8.045 48.897 -5.025 1.00 14.45 C ATOM 1573 CD GLN A 103 7.251 48.577 -3.773 1.00 54.15 C ATOM 1574 OE1 GLN A 103 6.351 49.324 -3.387 1.00 72.32 O ATOM 1575 NE2 GLN A 103 7.580 47.462 -3.132 1.00 72.24 N ATOM 0 H GLN A 103 10.316 52.040 -5.866 1.00 22.21 H new ATOM 0 HA GLN A 103 10.908 49.410 -4.709 1.00 14.23 H new ATOM 0 HB2 GLN A 103 8.945 50.418 -3.819 1.00 2.25 H new ATOM 0 HB3 GLN A 103 8.407 50.974 -5.391 1.00 2.25 H new ATOM 0 HG2 GLN A 103 7.359 49.027 -5.862 1.00 14.45 H new ATOM 0 HG3 GLN A 103 8.689 48.052 -5.268 1.00 14.45 H new ATOM 0 HE21 GLN A 103 8.333 46.872 -3.488 1.00 72.24 H new ATOM 0 HE22 GLN A 103 7.080 47.195 -2.284 1.00 72.24 H new ATOM 1584 N GLN A 104 9.547 49.790 -7.708 1.00 21.51 N ATOM 1585 CA GLN A 104 9.434 49.174 -9.025 1.00 32.12 C ATOM 1586 C GLN A 104 10.812 48.912 -9.624 1.00 12.42 C ATOM 1587 O GLN A 104 10.999 47.960 -10.380 1.00 70.02 O ATOM 1588 CB GLN A 104 8.619 50.068 -9.961 1.00 1.32 C ATOM 1589 CG GLN A 104 7.240 50.416 -9.423 1.00 25.10 C ATOM 1590 CD GLN A 104 7.008 51.911 -9.336 1.00 51.42 C ATOM 1591 OE1 GLN A 104 7.513 52.678 -10.156 1.00 42.52 O ATOM 1592 NE2 GLN A 104 6.239 52.334 -8.339 1.00 43.44 N ATOM 0 H GLN A 104 9.018 50.656 -7.600 1.00 21.51 H new ATOM 0 HA GLN A 104 8.922 48.219 -8.909 1.00 32.12 H new ATOM 0 HB2 GLN A 104 9.172 50.990 -10.143 1.00 1.32 H new ATOM 0 HB3 GLN A 104 8.509 49.568 -10.923 1.00 1.32 H new ATOM 0 HG2 GLN A 104 6.480 49.971 -10.066 1.00 25.10 H new ATOM 0 HG3 GLN A 104 7.118 49.975 -8.434 1.00 25.10 H new ATOM 0 HE21 GLN A 104 5.841 51.663 -7.682 1.00 43.44 H new ATOM 0 HE22 GLN A 104 6.047 53.330 -8.230 1.00 43.44 H new ATOM 1601 N GLU A 105 11.773 49.765 -9.280 1.00 75.43 N ATOM 1602 CA GLU A 105 13.133 49.625 -9.786 1.00 41.20 C ATOM 1603 C GLU A 105 13.666 48.218 -9.532 1.00 44.20 C ATOM 1604 O GLU A 105 13.764 47.404 -10.451 1.00 5.52 O ATOM 1605 CB GLU A 105 14.053 50.657 -9.130 1.00 51.22 C ATOM 1606 CG GLU A 105 13.889 52.061 -9.689 1.00 21.31 C ATOM 1607 CD GLU A 105 15.078 52.952 -9.386 1.00 61.41 C ATOM 1608 OE1 GLU A 105 16.151 52.413 -9.043 1.00 44.53 O ATOM 1609 OE2 GLU A 105 14.935 54.188 -9.493 1.00 33.25 O ATOM 0 H GLU A 105 11.635 50.558 -8.654 1.00 75.43 H new ATOM 0 HA GLU A 105 13.113 49.798 -10.862 1.00 41.20 H new ATOM 0 HB2 GLU A 105 13.857 50.677 -8.058 1.00 51.22 H new ATOM 0 HB3 GLU A 105 15.089 50.342 -9.259 1.00 51.22 H new ATOM 0 HG2 GLU A 105 13.748 52.004 -10.768 1.00 21.31 H new ATOM 0 HG3 GLU A 105 12.987 52.511 -9.273 1.00 21.31 H new ATOM 1616 N TYR A 106 14.010 47.940 -8.280 1.00 21.44 N ATOM 1617 CA TYR A 106 14.536 46.633 -7.904 1.00 64.32 C ATOM 1618 C TYR A 106 13.596 45.518 -8.352 1.00 23.42 C ATOM 1619 O TYR A 106 14.027 44.395 -8.618 1.00 53.33 O ATOM 1620 CB TYR A 106 14.748 46.560 -6.391 1.00 14.11 C ATOM 1621 CG TYR A 106 16.019 47.232 -5.924 1.00 51.20 C ATOM 1622 CD1 TYR A 106 16.057 48.600 -5.681 1.00 74.42 C ATOM 1623 CD2 TYR A 106 17.183 46.499 -5.725 1.00 15.32 C ATOM 1624 CE1 TYR A 106 17.216 49.218 -5.255 1.00 62.23 C ATOM 1625 CE2 TYR A 106 18.346 47.109 -5.298 1.00 24.24 C ATOM 1626 CZ TYR A 106 18.358 48.468 -5.065 1.00 3.32 C ATOM 1627 OH TYR A 106 19.515 49.080 -4.639 1.00 41.12 O ATOM 0 H TYR A 106 13.934 48.602 -7.508 1.00 21.44 H new ATOM 0 HA TYR A 106 15.495 46.498 -8.405 1.00 64.32 H new ATOM 0 HB2 TYR A 106 13.897 47.023 -5.891 1.00 14.11 H new ATOM 0 HB3 TYR A 106 14.767 45.514 -6.085 1.00 14.11 H new ATOM 0 HD1 TYR A 106 15.164 49.190 -5.828 1.00 74.42 H new ATOM 0 HD2 TYR A 106 17.178 45.435 -5.907 1.00 15.32 H new ATOM 0 HE1 TYR A 106 17.228 50.282 -5.072 1.00 62.23 H new ATOM 0 HE2 TYR A 106 19.242 46.525 -5.147 1.00 24.24 H new ATOM 0 HH TYR A 106 19.378 49.452 -3.743 1.00 41.12 H new ATOM 1637 N LYS A 107 12.309 45.835 -8.433 1.00 13.41 N ATOM 1638 CA LYS A 107 11.305 44.863 -8.850 1.00 0.41 C ATOM 1639 C LYS A 107 11.517 44.452 -10.303 1.00 52.25 C ATOM 1640 O LYS A 107 11.481 43.267 -10.636 1.00 11.30 O ATOM 1641 CB LYS A 107 9.900 45.443 -8.672 1.00 73.43 C ATOM 1642 CG LYS A 107 9.428 45.463 -7.228 1.00 44.35 C ATOM 1643 CD LYS A 107 8.053 44.833 -7.082 1.00 5.44 C ATOM 1644 CE LYS A 107 7.376 45.269 -5.791 1.00 61.51 C ATOM 1645 NZ LYS A 107 6.424 46.391 -6.016 1.00 10.33 N ATOM 0 H LYS A 107 11.936 46.759 -8.215 1.00 13.41 H new ATOM 0 HA LYS A 107 11.408 43.978 -8.222 1.00 0.41 H new ATOM 0 HB2 LYS A 107 9.883 46.460 -9.065 1.00 73.43 H new ATOM 0 HB3 LYS A 107 9.197 44.860 -9.267 1.00 73.43 H new ATOM 0 HG2 LYS A 107 10.143 44.927 -6.603 1.00 44.35 H new ATOM 0 HG3 LYS A 107 9.398 46.491 -6.868 1.00 44.35 H new ATOM 0 HD2 LYS A 107 7.431 45.112 -7.933 1.00 5.44 H new ATOM 0 HD3 LYS A 107 8.145 43.747 -7.097 1.00 5.44 H new ATOM 0 HE2 LYS A 107 6.844 44.423 -5.356 1.00 61.51 H new ATOM 0 HE3 LYS A 107 8.133 45.574 -5.069 1.00 61.51 H new ATOM 0 HZ1 LYS A 107 5.983 46.659 -5.113 1.00 10.33 H new ATOM 0 HZ2 LYS A 107 6.936 47.207 -6.407 1.00 10.33 H new ATOM 0 HZ3 LYS A 107 5.687 46.092 -6.685 1.00 10.33 H new ATOM 1659 N LYS A 108 11.739 45.438 -11.166 1.00 40.01 N ATOM 1660 CA LYS A 108 11.960 45.179 -12.584 1.00 13.50 C ATOM 1661 C LYS A 108 13.215 44.340 -12.795 1.00 24.51 C ATOM 1662 O LYS A 108 13.217 43.400 -13.589 1.00 64.25 O ATOM 1663 CB LYS A 108 12.081 46.498 -13.351 1.00 55.12 C ATOM 1664 CG LYS A 108 10.770 47.257 -13.466 1.00 0.42 C ATOM 1665 CD LYS A 108 9.955 46.786 -14.658 1.00 72.23 C ATOM 1666 CE LYS A 108 8.462 46.855 -14.375 1.00 50.54 C ATOM 1667 NZ LYS A 108 7.827 45.509 -14.411 1.00 62.23 N ATOM 0 H LYS A 108 11.771 46.424 -10.908 1.00 40.01 H new ATOM 0 HA LYS A 108 11.104 44.621 -12.964 1.00 13.50 H new ATOM 0 HB2 LYS A 108 12.816 47.132 -12.854 1.00 55.12 H new ATOM 0 HB3 LYS A 108 12.462 46.293 -14.352 1.00 55.12 H new ATOM 0 HG2 LYS A 108 10.190 47.124 -12.553 1.00 0.42 H new ATOM 0 HG3 LYS A 108 10.973 48.324 -13.562 1.00 0.42 H new ATOM 0 HD2 LYS A 108 10.190 47.401 -15.527 1.00 72.23 H new ATOM 0 HD3 LYS A 108 10.232 45.762 -14.908 1.00 72.23 H new ATOM 0 HE2 LYS A 108 8.299 47.307 -13.397 1.00 50.54 H new ATOM 0 HE3 LYS A 108 7.983 47.502 -15.110 1.00 50.54 H new ATOM 0 HZ1 LYS A 108 6.802 45.612 -14.554 1.00 62.23 H new ATOM 0 HZ2 LYS A 108 8.231 44.955 -15.193 1.00 62.23 H new ATOM 0 HZ3 LYS A 108 8.004 45.018 -13.512 1.00 62.23 H new ATOM 1681 N GLN A 109 14.280 44.684 -12.077 1.00 52.24 N ATOM 1682 CA GLN A 109 15.541 43.960 -12.186 1.00 51.45 C ATOM 1683 C GLN A 109 15.346 42.478 -11.886 1.00 15.01 C ATOM 1684 O GLN A 109 15.838 41.617 -12.615 1.00 15.13 O ATOM 1685 CB GLN A 109 16.578 44.554 -11.232 1.00 2.12 C ATOM 1686 CG GLN A 109 16.676 46.069 -11.305 1.00 52.45 C ATOM 1687 CD GLN A 109 16.617 46.590 -12.728 1.00 60.52 C ATOM 1688 OE1 GLN A 109 17.128 45.958 -13.654 1.00 2.52 O ATOM 1689 NE2 GLN A 109 15.991 47.747 -12.910 1.00 64.54 N ATOM 0 H GLN A 109 14.294 45.459 -11.414 1.00 52.24 H new ATOM 0 HA GLN A 109 15.901 44.060 -13.210 1.00 51.45 H new ATOM 0 HB2 GLN A 109 16.329 44.263 -10.211 1.00 2.12 H new ATOM 0 HB3 GLN A 109 17.554 44.124 -11.457 1.00 2.12 H new ATOM 0 HG2 GLN A 109 15.864 46.510 -10.727 1.00 52.45 H new ATOM 0 HG3 GLN A 109 17.609 46.392 -10.842 1.00 52.45 H new ATOM 0 HE21 GLN A 109 15.582 48.236 -12.114 1.00 64.54 H new ATOM 0 HE22 GLN A 109 15.919 48.146 -13.846 1.00 64.54 H new ATOM 1698 N MET A 110 14.625 42.188 -10.808 1.00 34.13 N ATOM 1699 CA MET A 110 14.364 40.809 -10.412 1.00 31.14 C ATOM 1700 C MET A 110 13.578 40.072 -11.492 1.00 12.43 C ATOM 1701 O MET A 110 13.810 38.889 -11.745 1.00 51.50 O ATOM 1702 CB MET A 110 13.594 40.772 -9.090 1.00 3.21 C ATOM 1703 CG MET A 110 13.956 39.587 -8.209 1.00 13.31 C ATOM 1704 SD MET A 110 13.307 39.744 -6.534 1.00 20.31 S ATOM 1705 CE MET A 110 11.573 39.387 -6.808 1.00 2.05 C ATOM 0 H MET A 110 14.211 42.889 -10.193 1.00 34.13 H new ATOM 0 HA MET A 110 15.323 40.308 -10.280 1.00 31.14 H new ATOM 0 HB2 MET A 110 13.786 41.694 -8.541 1.00 3.21 H new ATOM 0 HB3 MET A 110 12.525 40.744 -9.302 1.00 3.21 H new ATOM 0 HG2 MET A 110 13.570 38.673 -8.660 1.00 13.31 H new ATOM 0 HG3 MET A 110 15.041 39.489 -8.167 1.00 13.31 H new ATOM 0 HE1 MET A 110 11.036 39.445 -5.861 1.00 2.05 H new ATOM 0 HE2 MET A 110 11.158 40.114 -7.506 1.00 2.05 H new ATOM 0 HE3 MET A 110 11.469 38.385 -7.223 1.00 2.05 H new ATOM 1715 N LEU A 111 12.647 40.778 -12.125 1.00 4.11 N ATOM 1716 CA LEU A 111 11.826 40.191 -13.178 1.00 65.12 C ATOM 1717 C LEU A 111 12.697 39.538 -14.247 1.00 41.11 C ATOM 1718 O LEU A 111 12.506 38.372 -14.593 1.00 74.20 O ATOM 1719 CB LEU A 111 10.935 41.260 -13.813 1.00 22.20 C ATOM 1720 CG LEU A 111 9.433 41.113 -13.568 1.00 0.54 C ATOM 1721 CD1 LEU A 111 8.721 42.435 -13.812 1.00 20.11 C ATOM 1722 CD2 LEU A 111 8.852 40.021 -14.453 1.00 71.20 C ATOM 0 H LEU A 111 12.442 41.757 -11.927 1.00 4.11 H new ATOM 0 HA LEU A 111 11.197 39.423 -12.729 1.00 65.12 H new ATOM 0 HB2 LEU A 111 11.250 42.235 -13.441 1.00 22.20 H new ATOM 0 HB3 LEU A 111 11.109 41.258 -14.889 1.00 22.20 H new ATOM 0 HG LEU A 111 9.280 40.828 -12.527 1.00 0.54 H new ATOM 0 HD11 LEU A 111 7.653 42.311 -13.633 1.00 20.11 H new ATOM 0 HD12 LEU A 111 9.117 43.192 -13.135 1.00 20.11 H new ATOM 0 HD13 LEU A 111 8.882 42.750 -14.843 1.00 20.11 H new ATOM 0 HD21 LEU A 111 7.782 39.931 -14.265 1.00 71.20 H new ATOM 0 HD22 LEU A 111 9.016 40.276 -15.500 1.00 71.20 H new ATOM 0 HD23 LEU A 111 9.341 39.073 -14.229 1.00 71.20 H new ATOM 1734 N THR A 112 13.657 40.297 -14.766 1.00 50.53 N ATOM 1735 CA THR A 112 14.558 39.793 -15.795 1.00 1.32 C ATOM 1736 C THR A 112 15.280 38.535 -15.325 1.00 13.41 C ATOM 1737 O THR A 112 15.173 37.479 -15.946 1.00 62.43 O ATOM 1738 CB THR A 112 15.603 40.852 -16.194 1.00 42.02 C ATOM 1739 OG1 THR A 112 14.962 42.113 -16.417 1.00 45.10 O ATOM 1740 CG2 THR A 112 16.350 40.428 -17.450 1.00 3.22 C ATOM 0 H THR A 112 13.831 41.264 -14.490 1.00 50.53 H new ATOM 0 HA THR A 112 13.944 39.554 -16.663 1.00 1.32 H new ATOM 0 HB THR A 112 16.320 40.949 -15.379 1.00 42.02 H new ATOM 0 HG1 THR A 112 15.633 42.781 -16.669 1.00 45.10 H new ATOM 0 HG21 THR A 112 17.083 41.191 -17.713 1.00 3.22 H new ATOM 0 HG22 THR A 112 16.861 39.482 -17.268 1.00 3.22 H new ATOM 0 HG23 THR A 112 15.643 40.306 -18.270 1.00 3.22 H new ATOM 1748 N ALA A 113 16.014 38.656 -14.224 1.00 13.44 N ATOM 1749 CA ALA A 113 16.751 37.528 -13.669 1.00 72.20 C ATOM 1750 C ALA A 113 15.844 36.314 -13.491 1.00 5.42 C ATOM 1751 O ALA A 113 16.138 35.230 -13.992 1.00 61.40 O ATOM 1752 CB ALA A 113 17.387 37.914 -12.342 1.00 34.44 C ATOM 0 H ALA A 113 16.114 39.525 -13.699 1.00 13.44 H new ATOM 0 HA ALA A 113 17.540 37.260 -14.372 1.00 72.20 H new ATOM 0 HB1 ALA A 113 17.934 37.062 -11.939 1.00 34.44 H new ATOM 0 HB2 ALA A 113 18.074 38.746 -12.496 1.00 34.44 H new ATOM 0 HB3 ALA A 113 16.609 38.211 -11.639 1.00 34.44 H new ATOM 1758 N ALA A 114 14.742 36.505 -12.773 1.00 43.31 N ATOM 1759 CA ALA A 114 13.793 35.427 -12.530 1.00 73.50 C ATOM 1760 C ALA A 114 13.272 34.847 -13.841 1.00 42.52 C ATOM 1761 O ALA A 114 13.006 33.649 -13.940 1.00 53.20 O ATOM 1762 CB ALA A 114 12.637 35.924 -11.675 1.00 33.33 C ATOM 0 H ALA A 114 14.485 37.397 -12.350 1.00 43.31 H new ATOM 0 HA ALA A 114 14.313 34.634 -11.993 1.00 73.50 H new ATOM 0 HB1 ALA A 114 11.936 35.108 -11.501 1.00 33.33 H new ATOM 0 HB2 ALA A 114 13.019 36.283 -10.720 1.00 33.33 H new ATOM 0 HB3 ALA A 114 12.127 36.738 -12.191 1.00 33.33 H new ATOM 1768 N HIS A 115 13.129 35.706 -14.846 1.00 72.42 N ATOM 1769 CA HIS A 115 12.640 35.279 -16.152 1.00 74.53 C ATOM 1770 C HIS A 115 13.493 34.142 -16.707 1.00 60.00 C ATOM 1771 O HIS A 115 12.969 33.149 -17.211 1.00 65.11 O ATOM 1772 CB HIS A 115 12.638 36.455 -17.129 1.00 63.44 C ATOM 1773 CG HIS A 115 11.799 36.220 -18.348 1.00 1.24 C ATOM 1774 ND1 HIS A 115 12.333 35.925 -19.584 1.00 42.01 N ATOM 1775 CD2 HIS A 115 10.456 36.237 -18.514 1.00 11.10 C ATOM 1776 CE1 HIS A 115 11.355 35.772 -20.459 1.00 0.33 C ATOM 1777 NE2 HIS A 115 10.206 35.956 -19.835 1.00 15.04 N ATOM 0 H HIS A 115 13.345 36.701 -14.781 1.00 72.42 H new ATOM 0 HA HIS A 115 11.619 34.917 -16.029 1.00 74.53 H new ATOM 0 HB2 HIS A 115 12.275 37.344 -16.614 1.00 63.44 H new ATOM 0 HB3 HIS A 115 13.663 36.662 -17.438 1.00 63.44 H new ATOM 0 HD2 HIS A 115 9.718 36.435 -17.750 1.00 11.10 H new ATOM 0 HE1 HIS A 115 11.475 35.537 -21.506 1.00 0.33 H new ATOM 0 HE2 HIS A 115 9.283 35.899 -20.264 1.00 15.04 H new ATOM 1785 N ALA A 116 14.810 34.296 -16.611 1.00 34.31 N ATOM 1786 CA ALA A 116 15.735 33.282 -17.102 1.00 11.12 C ATOM 1787 C ALA A 116 15.619 31.995 -16.293 1.00 33.23 C ATOM 1788 O ALA A 116 15.641 30.896 -16.849 1.00 31.24 O ATOM 1789 CB ALA A 116 17.163 33.807 -17.061 1.00 34.44 C ATOM 0 H ALA A 116 15.260 35.113 -16.198 1.00 34.31 H new ATOM 0 HA ALA A 116 15.472 33.055 -18.135 1.00 11.12 H new ATOM 0 HB1 ALA A 116 17.843 33.040 -17.430 1.00 34.44 H new ATOM 0 HB2 ALA A 116 17.242 34.695 -17.688 1.00 34.44 H new ATOM 0 HB3 ALA A 116 17.427 34.063 -16.035 1.00 34.44 H new ATOM 1795 N LEU A 117 15.496 32.137 -14.978 1.00 14.23 N ATOM 1796 CA LEU A 117 15.376 30.985 -14.091 1.00 65.21 C ATOM 1797 C LEU A 117 14.193 30.110 -14.491 1.00 53.11 C ATOM 1798 O LEU A 117 14.343 28.910 -14.717 1.00 25.21 O ATOM 1799 CB LEU A 117 15.218 31.446 -12.641 1.00 55.23 C ATOM 1800 CG LEU A 117 15.339 30.358 -11.574 1.00 13.33 C ATOM 1801 CD1 LEU A 117 14.062 29.535 -11.503 1.00 11.22 C ATOM 1802 CD2 LEU A 117 16.537 29.464 -11.857 1.00 51.01 C ATOM 0 H LEU A 117 15.477 33.039 -14.502 1.00 14.23 H new ATOM 0 HA LEU A 117 16.287 30.394 -14.180 1.00 65.21 H new ATOM 0 HB2 LEU A 117 15.969 32.210 -12.440 1.00 55.23 H new ATOM 0 HB3 LEU A 117 14.243 31.923 -12.536 1.00 55.23 H new ATOM 0 HG LEU A 117 15.491 30.839 -10.608 1.00 13.33 H new ATOM 0 HD11 LEU A 117 14.167 28.766 -10.738 1.00 11.22 H new ATOM 0 HD12 LEU A 117 13.224 30.185 -11.251 1.00 11.22 H new ATOM 0 HD13 LEU A 117 13.879 29.064 -12.469 1.00 11.22 H new ATOM 0 HD21 LEU A 117 16.607 28.695 -11.087 1.00 51.01 H new ATOM 0 HD22 LEU A 117 16.416 28.991 -12.832 1.00 51.01 H new ATOM 0 HD23 LEU A 117 17.447 30.064 -11.855 1.00 51.01 H new ATOM 1814 N ALA A 118 13.015 30.721 -14.579 1.00 24.43 N ATOM 1815 CA ALA A 118 11.807 29.998 -14.956 1.00 13.52 C ATOM 1816 C ALA A 118 12.020 29.204 -16.240 1.00 53.52 C ATOM 1817 O ALA A 118 11.749 28.005 -16.292 1.00 65.52 O ATOM 1818 CB ALA A 118 10.643 30.965 -15.118 1.00 1.44 C ATOM 0 H ALA A 118 12.872 31.714 -14.394 1.00 24.43 H new ATOM 0 HA ALA A 118 11.572 29.293 -14.159 1.00 13.52 H new ATOM 0 HB1 ALA A 118 9.747 30.412 -15.400 1.00 1.44 H new ATOM 0 HB2 ALA A 118 10.468 31.484 -14.176 1.00 1.44 H new ATOM 0 HB3 ALA A 118 10.880 31.692 -15.895 1.00 1.44 H new ATOM 1824 N VAL A 119 12.505 29.882 -17.276 1.00 23.13 N ATOM 1825 CA VAL A 119 12.755 29.239 -18.560 1.00 51.34 C ATOM 1826 C VAL A 119 13.632 28.004 -18.396 1.00 24.34 C ATOM 1827 O VAL A 119 13.460 27.009 -19.100 1.00 65.04 O ATOM 1828 CB VAL A 119 13.431 30.207 -19.550 1.00 55.01 C ATOM 1829 CG1 VAL A 119 13.831 29.476 -20.823 1.00 10.24 C ATOM 1830 CG2 VAL A 119 12.509 31.376 -19.864 1.00 43.14 C ATOM 0 H VAL A 119 12.732 30.876 -17.251 1.00 23.13 H new ATOM 0 HA VAL A 119 11.785 28.941 -18.958 1.00 51.34 H new ATOM 0 HB VAL A 119 14.336 30.601 -19.087 1.00 55.01 H new ATOM 0 HG11 VAL A 119 14.307 30.176 -21.510 1.00 10.24 H new ATOM 0 HG12 VAL A 119 14.529 28.676 -20.579 1.00 10.24 H new ATOM 0 HG13 VAL A 119 12.944 29.052 -21.293 1.00 10.24 H new ATOM 0 HG21 VAL A 119 13.002 32.050 -20.565 1.00 43.14 H new ATOM 0 HG22 VAL A 119 11.586 31.003 -20.308 1.00 43.14 H new ATOM 0 HG23 VAL A 119 12.278 31.914 -18.945 1.00 43.14 H new ATOM 1840 N ASP A 120 14.573 28.074 -17.460 1.00 70.51 N ATOM 1841 CA ASP A 120 15.478 26.960 -17.201 1.00 34.53 C ATOM 1842 C ASP A 120 14.697 25.696 -16.853 1.00 25.33 C ATOM 1843 O ASP A 120 14.815 24.675 -17.531 1.00 0.53 O ATOM 1844 CB ASP A 120 16.439 27.310 -16.064 1.00 21.42 C ATOM 1845 CG ASP A 120 17.826 26.736 -16.281 1.00 53.42 C ATOM 1846 OD1 ASP A 120 18.439 27.046 -17.324 1.00 61.43 O ATOM 1847 OD2 ASP A 120 18.298 25.979 -15.408 1.00 12.33 O ATOM 0 H ASP A 120 14.729 28.890 -16.868 1.00 70.51 H new ATOM 0 HA ASP A 120 16.053 26.772 -18.108 1.00 34.53 H new ATOM 0 HB2 ASP A 120 16.508 28.394 -15.971 1.00 21.42 H new ATOM 0 HB3 ASP A 120 16.037 26.934 -15.123 1.00 21.42 H new ATOM 1852 N ALA A 121 13.902 25.771 -15.791 1.00 12.12 N ATOM 1853 CA ALA A 121 13.102 24.634 -15.353 1.00 72.24 C ATOM 1854 C ALA A 121 12.289 24.058 -16.508 1.00 12.12 C ATOM 1855 O ALA A 121 12.027 22.856 -16.558 1.00 43.02 O ATOM 1856 CB ALA A 121 12.184 25.043 -14.211 1.00 32.40 C ATOM 0 H ALA A 121 13.795 26.608 -15.218 1.00 12.12 H new ATOM 0 HA ALA A 121 13.781 23.858 -14.998 1.00 72.24 H new ATOM 0 HB1 ALA A 121 11.593 24.184 -13.894 1.00 32.40 H new ATOM 0 HB2 ALA A 121 12.783 25.400 -13.373 1.00 32.40 H new ATOM 0 HB3 ALA A 121 11.518 25.838 -14.546 1.00 32.40 H new ATOM 1862 N LYS A 122 11.890 24.923 -17.434 1.00 43.41 N ATOM 1863 CA LYS A 122 11.107 24.502 -18.589 1.00 71.33 C ATOM 1864 C LYS A 122 11.983 23.777 -19.606 1.00 3.12 C ATOM 1865 O LYS A 122 11.675 22.661 -20.021 1.00 53.14 O ATOM 1866 CB LYS A 122 10.438 25.711 -19.247 1.00 1.02 C ATOM 1867 CG LYS A 122 9.191 25.360 -20.039 1.00 14.11 C ATOM 1868 CD LYS A 122 9.244 25.932 -21.446 1.00 23.52 C ATOM 1869 CE LYS A 122 8.449 25.080 -22.424 1.00 12.52 C ATOM 1870 NZ LYS A 122 7.190 25.754 -22.849 1.00 25.11 N ATOM 0 H LYS A 122 12.097 25.921 -17.407 1.00 43.41 H new ATOM 0 HA LYS A 122 10.337 23.813 -18.242 1.00 71.33 H new ATOM 0 HB2 LYS A 122 10.176 26.435 -18.476 1.00 1.02 H new ATOM 0 HB3 LYS A 122 11.155 26.196 -19.910 1.00 1.02 H new ATOM 0 HG2 LYS A 122 9.084 24.276 -20.090 1.00 14.11 H new ATOM 0 HG3 LYS A 122 8.311 25.743 -19.522 1.00 14.11 H new ATOM 0 HD2 LYS A 122 8.849 26.948 -21.442 1.00 23.52 H new ATOM 0 HD3 LYS A 122 10.281 25.995 -21.776 1.00 23.52 H new ATOM 0 HE2 LYS A 122 9.061 24.867 -23.301 1.00 12.52 H new ATOM 0 HE3 LYS A 122 8.210 24.123 -21.961 1.00 12.52 H new ATOM 0 HZ1 LYS A 122 6.676 25.142 -23.515 1.00 25.11 H new ATOM 0 HZ2 LYS A 122 6.595 25.935 -22.016 1.00 25.11 H new ATOM 0 HZ3 LYS A 122 7.419 26.656 -23.314 1.00 25.11 H new ATOM 1884 N ASN A 123 13.078 24.419 -20.001 1.00 0.11 N ATOM 1885 CA ASN A 123 14.000 23.835 -20.968 1.00 73.42 C ATOM 1886 C ASN A 123 14.586 22.528 -20.441 1.00 14.31 C ATOM 1887 O ASN A 123 14.982 21.656 -21.215 1.00 24.14 O ATOM 1888 CB ASN A 123 15.126 24.819 -21.290 1.00 22.33 C ATOM 1889 CG ASN A 123 14.616 26.088 -21.943 1.00 53.42 C ATOM 1890 OD1 ASN A 123 13.482 26.142 -22.420 1.00 61.33 O ATOM 1891 ND2 ASN A 123 15.453 27.119 -21.968 1.00 20.22 N ATOM 0 H ASN A 123 13.348 25.344 -19.666 1.00 0.11 H new ATOM 0 HA ASN A 123 13.443 23.621 -21.880 1.00 73.42 H new ATOM 0 HB2 ASN A 123 15.656 25.074 -20.372 1.00 22.33 H new ATOM 0 HB3 ASN A 123 15.847 24.338 -21.951 1.00 22.33 H new ATOM 0 HD21 ASN A 123 15.165 28.000 -22.394 1.00 20.22 H new ATOM 0 HD22 ASN A 123 16.384 27.030 -21.561 1.00 20.22 H new ATOM 1898 N LEU A 124 14.636 22.400 -19.120 1.00 3.03 N ATOM 1899 CA LEU A 124 15.173 21.200 -18.488 1.00 31.25 C ATOM 1900 C LEU A 124 14.528 19.945 -19.067 1.00 24.41 C ATOM 1901 O LEU A 124 15.188 19.147 -19.734 1.00 71.45 O ATOM 1902 CB LEU A 124 14.947 21.251 -16.975 1.00 40.45 C ATOM 1903 CG LEU A 124 16.109 21.793 -16.141 1.00 74.44 C ATOM 1904 CD1 LEU A 124 15.738 21.823 -14.667 1.00 22.03 C ATOM 1905 CD2 LEU A 124 17.359 20.955 -16.362 1.00 25.52 C ATOM 0 H LEU A 124 14.311 23.112 -18.466 1.00 3.03 H new ATOM 0 HA LEU A 124 16.244 21.162 -18.688 1.00 31.25 H new ATOM 0 HB2 LEU A 124 14.068 21.865 -16.780 1.00 40.45 H new ATOM 0 HB3 LEU A 124 14.716 20.244 -16.628 1.00 40.45 H new ATOM 0 HG LEU A 124 16.319 22.813 -16.462 1.00 74.44 H new ATOM 0 HD11 LEU A 124 16.576 22.211 -14.089 1.00 22.03 H new ATOM 0 HD12 LEU A 124 14.869 22.466 -14.523 1.00 22.03 H new ATOM 0 HD13 LEU A 124 15.502 20.813 -14.331 1.00 22.03 H new ATOM 0 HD21 LEU A 124 18.176 21.355 -15.761 1.00 25.52 H new ATOM 0 HD22 LEU A 124 17.163 19.924 -16.068 1.00 25.52 H new ATOM 0 HD23 LEU A 124 17.636 20.985 -17.416 1.00 25.52 H new ATOM 1917 N LEU A 125 13.236 19.777 -18.809 1.00 61.23 N ATOM 1918 CA LEU A 125 12.501 18.619 -19.307 1.00 53.42 C ATOM 1919 C LEU A 125 12.283 18.719 -20.814 1.00 10.44 C ATOM 1920 O LEU A 125 12.205 17.706 -21.508 1.00 74.02 O ATOM 1921 CB LEU A 125 11.154 18.500 -18.592 1.00 55.45 C ATOM 1922 CG LEU A 125 10.994 17.302 -17.656 1.00 1.20 C ATOM 1923 CD1 LEU A 125 11.720 17.551 -16.343 1.00 64.51 C ATOM 1924 CD2 LEU A 125 9.521 17.013 -17.406 1.00 62.43 C ATOM 0 H LEU A 125 12.676 20.427 -18.258 1.00 61.23 H new ATOM 0 HA LEU A 125 13.094 17.728 -19.103 1.00 53.42 H new ATOM 0 HB2 LEU A 125 10.990 19.410 -18.015 1.00 55.45 H new ATOM 0 HB3 LEU A 125 10.368 18.454 -19.346 1.00 55.45 H new ATOM 0 HG LEU A 125 11.439 16.429 -18.134 1.00 1.20 H new ATOM 0 HD11 LEU A 125 11.595 16.688 -15.689 1.00 64.51 H new ATOM 0 HD12 LEU A 125 12.781 17.708 -16.538 1.00 64.51 H new ATOM 0 HD13 LEU A 125 11.305 18.435 -15.860 1.00 64.51 H new ATOM 0 HD21 LEU A 125 9.426 16.157 -16.738 1.00 62.43 H new ATOM 0 HD22 LEU A 125 9.052 17.884 -16.949 1.00 62.43 H new ATOM 0 HD23 LEU A 125 9.028 16.790 -18.352 1.00 62.43 H new ATOM 1936 N ASP A 126 12.188 19.947 -21.312 1.00 43.11 N ATOM 1937 CA ASP A 126 11.983 20.180 -22.737 1.00 1.10 C ATOM 1938 C ASP A 126 13.116 19.569 -23.556 1.00 52.11 C ATOM 1939 O ASP A 126 12.880 18.937 -24.586 1.00 23.22 O ATOM 1940 CB ASP A 126 11.883 21.680 -23.021 1.00 71.41 C ATOM 1941 CG ASP A 126 11.215 21.974 -24.350 1.00 32.42 C ATOM 1942 OD1 ASP A 126 10.670 21.031 -24.962 1.00 61.10 O ATOM 1943 OD2 ASP A 126 11.236 23.147 -24.777 1.00 72.42 O ATOM 0 H ASP A 126 12.250 20.796 -20.750 1.00 43.11 H new ATOM 0 HA ASP A 126 11.049 19.700 -23.028 1.00 1.10 H new ATOM 0 HB2 ASP A 126 11.321 22.162 -22.221 1.00 71.41 H new ATOM 0 HB3 ASP A 126 12.882 22.115 -23.016 1.00 71.41 H new ATOM 1948 N VAL A 127 14.346 19.763 -23.092 1.00 43.32 N ATOM 1949 CA VAL A 127 15.516 19.232 -23.781 1.00 70.35 C ATOM 1950 C VAL A 127 15.540 17.708 -23.728 1.00 2.32 C ATOM 1951 O VAL A 127 15.547 17.041 -24.763 1.00 20.25 O ATOM 1952 CB VAL A 127 16.822 19.777 -23.173 1.00 72.31 C ATOM 1953 CG1 VAL A 127 18.029 19.103 -23.808 1.00 52.22 C ATOM 1954 CG2 VAL A 127 16.896 21.287 -23.338 1.00 11.24 C ATOM 0 H VAL A 127 14.558 20.284 -22.241 1.00 43.32 H new ATOM 0 HA VAL A 127 15.446 19.556 -24.819 1.00 70.35 H new ATOM 0 HB VAL A 127 16.829 19.550 -22.107 1.00 72.31 H new ATOM 0 HG11 VAL A 127 18.942 19.501 -23.366 1.00 52.22 H new ATOM 0 HG12 VAL A 127 17.979 18.028 -23.633 1.00 52.22 H new ATOM 0 HG13 VAL A 127 18.031 19.296 -24.881 1.00 52.22 H new ATOM 0 HG21 VAL A 127 17.825 21.655 -22.903 1.00 11.24 H new ATOM 0 HG22 VAL A 127 16.867 21.539 -24.398 1.00 11.24 H new ATOM 0 HG23 VAL A 127 16.049 21.750 -22.831 1.00 11.24 H new ATOM 1964 N ILE A 128 15.553 17.165 -22.515 1.00 73.34 N ATOM 1965 CA ILE A 128 15.574 15.719 -22.327 1.00 4.50 C ATOM 1966 C ILE A 128 14.400 15.055 -23.038 1.00 23.34 C ATOM 1967 O ILE A 128 14.437 13.860 -23.334 1.00 54.54 O ATOM 1968 CB ILE A 128 15.534 15.346 -20.833 1.00 62.24 C ATOM 1969 CG1 ILE A 128 14.136 15.588 -20.262 1.00 75.32 C ATOM 1970 CG2 ILE A 128 16.573 16.143 -20.060 1.00 4.42 C ATOM 1971 CD1 ILE A 128 14.045 15.359 -18.770 1.00 14.43 C ATOM 0 H ILE A 128 15.549 17.704 -21.649 1.00 73.34 H new ATOM 0 HA ILE A 128 16.507 15.357 -22.759 1.00 4.50 H new ATOM 0 HB ILE A 128 15.769 14.286 -20.732 1.00 62.24 H new ATOM 0 HG12 ILE A 128 13.834 16.612 -20.483 1.00 75.32 H new ATOM 0 HG13 ILE A 128 13.428 14.931 -20.766 1.00 75.32 H new ATOM 0 HG21 ILE A 128 16.532 15.868 -19.006 1.00 4.42 H new ATOM 0 HG22 ILE A 128 17.566 15.925 -20.454 1.00 4.42 H new ATOM 0 HG23 ILE A 128 16.367 17.208 -20.165 1.00 4.42 H new ATOM 0 HD11 ILE A 128 13.026 15.549 -18.434 1.00 14.43 H new ATOM 0 HD12 ILE A 128 14.316 14.328 -18.543 1.00 14.43 H new ATOM 0 HD13 ILE A 128 14.728 16.035 -18.256 1.00 14.43 H new ATOM 1983 N ASP A 129 13.361 15.836 -23.309 1.00 10.30 N ATOM 1984 CA ASP A 129 12.176 15.325 -23.988 1.00 22.51 C ATOM 1985 C ASP A 129 12.553 14.646 -25.301 1.00 50.34 C ATOM 1986 O ASP A 129 11.918 13.676 -25.713 1.00 63.15 O ATOM 1987 CB ASP A 129 11.184 16.458 -24.251 1.00 74.02 C ATOM 1988 CG ASP A 129 9.829 15.948 -24.703 1.00 43.23 C ATOM 1989 OD1 ASP A 129 9.374 14.917 -24.165 1.00 40.54 O ATOM 1990 OD2 ASP A 129 9.225 16.580 -25.596 1.00 31.53 O ATOM 0 H ASP A 129 13.315 16.826 -23.069 1.00 10.30 H new ATOM 0 HA ASP A 129 11.706 14.586 -23.339 1.00 22.51 H new ATOM 0 HB2 ASP A 129 11.062 17.049 -23.343 1.00 74.02 H new ATOM 0 HB3 ASP A 129 11.591 17.124 -25.012 1.00 74.02 H new ATOM 1995 N GLN A 130 13.588 15.165 -25.954 1.00 3.14 N ATOM 1996 CA GLN A 130 14.048 14.610 -27.221 1.00 53.23 C ATOM 1997 C GLN A 130 14.643 13.220 -27.023 1.00 71.03 C ATOM 1998 O GLN A 130 14.654 12.402 -27.943 1.00 2.31 O ATOM 1999 CB GLN A 130 15.084 15.535 -27.861 1.00 43.24 C ATOM 2000 CG GLN A 130 14.575 16.947 -28.100 1.00 55.33 C ATOM 2001 CD GLN A 130 15.686 17.919 -28.444 1.00 63.22 C ATOM 2002 OE1 GLN A 130 16.168 17.953 -29.577 1.00 22.12 O ATOM 2003 NE2 GLN A 130 16.100 18.716 -27.466 1.00 61.20 N ATOM 0 H GLN A 130 14.124 15.969 -25.626 1.00 3.14 H new ATOM 0 HA GLN A 130 13.188 14.525 -27.885 1.00 53.23 H new ATOM 0 HB2 GLN A 130 15.964 15.579 -27.220 1.00 43.24 H new ATOM 0 HB3 GLN A 130 15.403 15.107 -28.811 1.00 43.24 H new ATOM 0 HG2 GLN A 130 13.846 16.934 -28.910 1.00 55.33 H new ATOM 0 HG3 GLN A 130 14.055 17.297 -27.208 1.00 55.33 H new ATOM 0 HE21 GLN A 130 15.672 18.654 -26.542 1.00 61.20 H new ATOM 0 HE22 GLN A 130 16.846 19.390 -27.639 1.00 61.20 H new ATOM 2012 N ALA A 131 15.137 12.960 -25.817 1.00 71.43 N ATOM 2013 CA ALA A 131 15.732 11.668 -25.498 1.00 61.13 C ATOM 2014 C ALA A 131 14.665 10.584 -25.387 1.00 1.24 C ATOM 2015 O ALA A 131 14.711 9.579 -26.097 1.00 13.55 O ATOM 2016 CB ALA A 131 16.531 11.760 -24.207 1.00 22.53 C ATOM 0 H ALA A 131 15.137 13.627 -25.045 1.00 71.43 H new ATOM 0 HA ALA A 131 16.405 11.395 -26.310 1.00 61.13 H new ATOM 0 HB1 ALA A 131 16.970 10.788 -23.981 1.00 22.53 H new ATOM 0 HB2 ALA A 131 17.324 12.499 -24.322 1.00 22.53 H new ATOM 0 HB3 ALA A 131 15.872 12.059 -23.392 1.00 22.53 H new ATOM 2022 N ARG A 132 13.706 10.795 -24.491 1.00 22.43 N ATOM 2023 CA ARG A 132 12.629 9.834 -24.285 1.00 53.21 C ATOM 2024 C ARG A 132 11.953 9.483 -25.608 1.00 4.43 C ATOM 2025 O ARG A 132 11.649 8.320 -25.872 1.00 74.50 O ATOM 2026 CB ARG A 132 11.596 10.396 -23.306 1.00 60.02 C ATOM 2027 CG ARG A 132 11.212 11.839 -23.588 1.00 55.23 C ATOM 2028 CD ARG A 132 10.069 12.296 -22.695 1.00 75.13 C ATOM 2029 NE ARG A 132 10.512 13.252 -21.685 1.00 1.25 N ATOM 2030 CZ ARG A 132 9.695 14.091 -21.057 1.00 72.42 C ATOM 2031 NH1 ARG A 132 8.398 14.090 -21.335 1.00 44.31 N ATOM 2032 NH2 ARG A 132 10.174 14.931 -20.149 1.00 52.33 N ATOM 0 H ARG A 132 13.653 11.622 -23.897 1.00 22.43 H new ATOM 0 HA ARG A 132 13.061 8.926 -23.865 1.00 53.21 H new ATOM 0 HB2 ARG A 132 10.700 9.777 -23.342 1.00 60.02 H new ATOM 0 HB3 ARG A 132 11.992 10.326 -22.293 1.00 60.02 H new ATOM 0 HG2 ARG A 132 12.077 12.484 -23.432 1.00 55.23 H new ATOM 0 HG3 ARG A 132 10.922 11.942 -24.634 1.00 55.23 H new ATOM 0 HD2 ARG A 132 9.290 12.751 -23.307 1.00 75.13 H new ATOM 0 HD3 ARG A 132 9.624 11.430 -22.204 1.00 75.13 H new ATOM 0 HE ARG A 132 11.504 13.278 -21.448 1.00 1.25 H new ATOM 0 HH11 ARG A 132 8.026 13.444 -22.032 1.00 44.31 H new ATOM 0 HH12 ARG A 132 7.772 14.735 -20.852 1.00 44.31 H new ATOM 0 HH21 ARG A 132 11.171 14.933 -19.932 1.00 52.33 H new ATOM 0 HH22 ARG A 132 9.546 15.574 -19.668 1.00 52.33 H new ATOM 2046 N LEU A 133 11.722 10.497 -26.435 1.00 20.22 N ATOM 2047 CA LEU A 133 11.082 10.296 -27.730 1.00 42.14 C ATOM 2048 C LEU A 133 11.949 9.428 -28.637 1.00 51.32 C ATOM 2049 O LEU A 133 11.454 8.519 -29.303 1.00 34.52 O ATOM 2050 CB LEU A 133 10.812 11.644 -28.402 1.00 34.32 C ATOM 2051 CG LEU A 133 9.341 12.003 -28.618 1.00 20.24 C ATOM 2052 CD1 LEU A 133 8.729 12.541 -27.334 1.00 0.22 C ATOM 2053 CD2 LEU A 133 9.199 13.016 -29.744 1.00 42.01 C ATOM 0 H LEU A 133 11.968 11.466 -26.232 1.00 20.22 H new ATOM 0 HA LEU A 133 10.135 9.783 -27.564 1.00 42.14 H new ATOM 0 HB2 LEU A 133 11.272 12.427 -27.799 1.00 34.32 H new ATOM 0 HB3 LEU A 133 11.313 11.652 -29.370 1.00 34.32 H new ATOM 0 HG LEU A 133 8.804 11.098 -28.901 1.00 20.24 H new ATOM 0 HD11 LEU A 133 7.682 12.791 -27.507 1.00 0.22 H new ATOM 0 HD12 LEU A 133 8.797 11.783 -26.553 1.00 0.22 H new ATOM 0 HD13 LEU A 133 9.269 13.435 -27.020 1.00 0.22 H new ATOM 0 HD21 LEU A 133 8.146 13.260 -29.884 1.00 42.01 H new ATOM 0 HD22 LEU A 133 9.750 13.921 -29.491 1.00 42.01 H new ATOM 0 HD23 LEU A 133 9.599 12.594 -30.666 1.00 42.01 H new ATOM 2065 N LYS A 134 13.246 9.714 -28.657 1.00 43.01 N ATOM 2066 CA LYS A 134 14.184 8.958 -29.479 1.00 2.32 C ATOM 2067 C LYS A 134 14.129 7.472 -29.140 1.00 41.02 C ATOM 2068 O LYS A 134 14.371 6.622 -29.996 1.00 60.23 O ATOM 2069 CB LYS A 134 15.607 9.485 -29.280 1.00 43.02 C ATOM 2070 CG LYS A 134 16.666 8.660 -29.991 1.00 70.11 C ATOM 2071 CD LYS A 134 17.846 9.516 -30.419 1.00 23.05 C ATOM 2072 CE LYS A 134 19.155 8.981 -29.857 1.00 11.40 C ATOM 2073 NZ LYS A 134 20.328 9.750 -30.357 1.00 42.02 N ATOM 0 H LYS A 134 13.672 10.464 -28.113 1.00 43.01 H new ATOM 0 HA LYS A 134 13.898 9.085 -30.523 1.00 2.32 H new ATOM 0 HB2 LYS A 134 15.658 10.513 -29.638 1.00 43.02 H new ATOM 0 HB3 LYS A 134 15.831 9.508 -28.214 1.00 43.02 H new ATOM 0 HG2 LYS A 134 17.013 7.865 -29.331 1.00 70.11 H new ATOM 0 HG3 LYS A 134 16.228 8.180 -30.866 1.00 70.11 H new ATOM 0 HD2 LYS A 134 17.901 9.545 -31.507 1.00 23.05 H new ATOM 0 HD3 LYS A 134 17.695 10.541 -30.080 1.00 23.05 H new ATOM 0 HE2 LYS A 134 19.128 9.026 -28.768 1.00 11.40 H new ATOM 0 HE3 LYS A 134 19.266 7.932 -30.130 1.00 11.40 H new ATOM 0 HZ1 LYS A 134 21.200 9.355 -29.952 1.00 42.02 H new ATOM 0 HZ2 LYS A 134 20.368 9.686 -31.394 1.00 42.02 H new ATOM 0 HZ3 LYS A 134 20.236 10.747 -30.075 1.00 42.02 H new ATOM 2087 N MET A 135 13.808 7.167 -27.887 1.00 60.33 N ATOM 2088 CA MET A 135 13.719 5.782 -27.437 1.00 54.44 C ATOM 2089 C MET A 135 12.415 5.142 -27.904 1.00 12.43 C ATOM 2090 O MET A 135 12.418 4.052 -28.476 1.00 40.11 O ATOM 2091 CB MET A 135 13.818 5.712 -25.912 1.00 61.14 C ATOM 2092 CG MET A 135 14.665 4.553 -25.412 1.00 0.24 C ATOM 2093 SD MET A 135 13.697 3.318 -24.524 1.00 72.22 S ATOM 2094 CE MET A 135 13.240 4.236 -23.056 1.00 11.40 C ATOM 0 H MET A 135 13.605 7.859 -27.166 1.00 60.33 H new ATOM 0 HA MET A 135 14.551 5.229 -27.873 1.00 54.44 H new ATOM 0 HB2 MET A 135 14.239 6.646 -25.540 1.00 61.14 H new ATOM 0 HB3 MET A 135 12.815 5.625 -25.494 1.00 61.14 H new ATOM 0 HG2 MET A 135 15.162 4.079 -26.259 1.00 0.24 H new ATOM 0 HG3 MET A 135 15.447 4.936 -24.757 1.00 0.24 H new ATOM 0 HE1 MET A 135 12.907 3.544 -22.283 1.00 11.40 H new ATOM 0 HE2 MET A 135 14.102 4.797 -22.695 1.00 11.40 H new ATOM 0 HE3 MET A 135 12.432 4.927 -23.296 1.00 11.40 H new ATOM 2104 N ILE A 136 11.303 5.826 -27.655 1.00 2.30 N ATOM 2105 CA ILE A 136 9.993 5.324 -28.050 1.00 62.04 C ATOM 2106 C ILE A 136 9.975 4.938 -29.526 1.00 12.14 C ATOM 2107 O ILE A 136 9.679 3.795 -29.875 1.00 44.53 O ATOM 2108 CB ILE A 136 8.889 6.365 -27.790 1.00 12.30 C ATOM 2109 CG1 ILE A 136 8.858 6.749 -26.309 1.00 63.11 C ATOM 2110 CG2 ILE A 136 7.537 5.825 -28.231 1.00 33.13 C ATOM 2111 CD1 ILE A 136 8.130 8.046 -26.036 1.00 35.02 C ATOM 0 H ILE A 136 11.283 6.729 -27.182 1.00 2.30 H new ATOM 0 HA ILE A 136 9.797 4.440 -27.443 1.00 62.04 H new ATOM 0 HB ILE A 136 9.109 7.259 -28.373 1.00 12.30 H new ATOM 0 HG12 ILE A 136 8.381 5.948 -25.744 1.00 63.11 H new ATOM 0 HG13 ILE A 136 9.881 6.832 -25.942 1.00 63.11 H new ATOM 0 HG21 ILE A 136 6.767 6.573 -28.041 1.00 33.13 H new ATOM 0 HG22 ILE A 136 7.566 5.597 -29.297 1.00 33.13 H new ATOM 0 HG23 ILE A 136 7.308 4.918 -27.672 1.00 33.13 H new ATOM 0 HD11 ILE A 136 8.148 8.255 -24.966 1.00 35.02 H new ATOM 0 HD12 ILE A 136 8.620 8.858 -26.573 1.00 35.02 H new ATOM 0 HD13 ILE A 136 7.097 7.961 -26.372 1.00 35.02 H new ATOM 2123 N SER A 137 10.294 5.899 -30.387 1.00 23.30 N ATOM 2124 CA SER A 137 10.313 5.660 -31.825 1.00 53.55 C ATOM 2125 C SER A 137 11.624 5.006 -32.251 1.00 13.30 C ATOM 2126 O SER A 137 12.386 5.572 -33.034 1.00 52.40 O ATOM 2127 CB SER A 137 10.115 6.974 -32.584 1.00 4.40 C ATOM 2128 OG SER A 137 10.807 8.037 -31.951 1.00 50.24 O ATOM 0 H SER A 137 10.543 6.850 -30.114 1.00 23.30 H new ATOM 0 HA SER A 137 9.494 4.982 -32.066 1.00 53.55 H new ATOM 0 HB2 SER A 137 10.471 6.863 -33.608 1.00 4.40 H new ATOM 0 HB3 SER A 137 9.052 7.209 -32.639 1.00 4.40 H new ATOM 0 HG SER A 137 10.666 8.865 -32.456 1.00 50.24 H new ATOM 2228 N ALA A 170 25.971 22.336 -1.929 1.00 63.21 N ATOM 2229 CA ALA A 170 24.740 22.797 -2.558 1.00 31.10 C ATOM 2230 C ALA A 170 23.577 22.772 -1.572 1.00 2.33 C ATOM 2231 O ALA A 170 22.959 23.802 -1.298 1.00 22.33 O ATOM 2232 CB ALA A 170 24.419 21.945 -3.777 1.00 33.11 C ATOM 0 HA ALA A 170 24.889 23.828 -2.878 1.00 31.10 H new ATOM 0 HB1 ALA A 170 23.497 22.301 -4.237 1.00 33.11 H new ATOM 0 HB2 ALA A 170 25.235 22.017 -4.496 1.00 33.11 H new ATOM 0 HB3 ALA A 170 24.295 20.906 -3.472 1.00 33.11 H new ATOM 2238 N THR A 171 23.283 21.590 -1.041 1.00 35.45 N ATOM 2239 CA THR A 171 22.193 21.431 -0.086 1.00 74.41 C ATOM 2240 C THR A 171 22.312 22.432 1.057 1.00 24.21 C ATOM 2241 O THR A 171 21.309 22.855 1.632 1.00 63.02 O ATOM 2242 CB THR A 171 22.160 20.005 0.496 1.00 14.04 C ATOM 2243 OG1 THR A 171 23.183 19.206 -0.106 1.00 65.32 O ATOM 2244 CG2 THR A 171 20.802 19.358 0.266 1.00 23.30 C ATOM 0 H THR A 171 23.784 20.728 -1.256 1.00 35.45 H new ATOM 0 HA THR A 171 21.267 21.615 -0.630 1.00 74.41 H new ATOM 0 HB THR A 171 22.336 20.071 1.570 1.00 14.04 H new ATOM 0 HG1 THR A 171 23.156 18.302 0.271 1.00 65.32 H new ATOM 0 HG21 THR A 171 20.803 18.352 0.685 1.00 23.30 H new ATOM 0 HG22 THR A 171 20.029 19.953 0.752 1.00 23.30 H new ATOM 0 HG23 THR A 171 20.601 19.305 -0.804 1.00 23.30 H new ATOM 2252 N ARG A 172 23.545 22.807 1.382 1.00 42.52 N ATOM 2253 CA ARG A 172 23.795 23.759 2.457 1.00 5.34 C ATOM 2254 C ARG A 172 23.123 25.098 2.167 1.00 74.44 C ATOM 2255 O ARG A 172 22.360 25.610 2.985 1.00 31.11 O ATOM 2256 CB ARG A 172 25.300 23.963 2.647 1.00 53.21 C ATOM 2257 CG ARG A 172 25.670 24.540 4.004 1.00 61.43 C ATOM 2258 CD ARG A 172 26.985 23.969 4.511 1.00 3.30 C ATOM 2259 NE ARG A 172 27.219 24.299 5.914 1.00 25.55 N ATOM 2260 CZ ARG A 172 28.253 23.843 6.614 1.00 41.14 C ATOM 2261 NH1 ARG A 172 29.143 23.044 6.042 1.00 25.24 N ATOM 2262 NH2 ARG A 172 28.398 24.188 7.887 1.00 71.52 N ATOM 0 H ARG A 172 24.386 22.466 0.916 1.00 42.52 H new ATOM 0 HA ARG A 172 23.371 23.351 3.374 1.00 5.34 H new ATOM 0 HB2 ARG A 172 25.807 23.007 2.518 1.00 53.21 H new ATOM 0 HB3 ARG A 172 25.669 24.628 1.866 1.00 53.21 H new ATOM 0 HG2 ARG A 172 25.747 25.625 3.931 1.00 61.43 H new ATOM 0 HG3 ARG A 172 24.878 24.324 4.721 1.00 61.43 H new ATOM 0 HD2 ARG A 172 26.981 22.886 4.389 1.00 3.30 H new ATOM 0 HD3 ARG A 172 27.805 24.355 3.906 1.00 3.30 H new ATOM 0 HE ARG A 172 26.553 24.913 6.383 1.00 25.55 H new ATOM 0 HH11 ARG A 172 29.035 22.778 5.063 1.00 25.24 H new ATOM 0 HH12 ARG A 172 29.936 22.695 6.581 1.00 25.24 H new ATOM 0 HH21 ARG A 172 27.716 24.804 8.329 1.00 71.52 H new ATOM 0 HH22 ARG A 172 29.192 23.837 8.423 1.00 71.52 H new ATOM 2276 N GLU A 173 23.411 25.658 0.996 1.00 25.50 N ATOM 2277 CA GLU A 173 22.835 26.937 0.599 1.00 70.31 C ATOM 2278 C GLU A 173 21.312 26.852 0.540 1.00 45.42 C ATOM 2279 O GLU A 173 20.610 27.721 1.060 1.00 65.13 O ATOM 2280 CB GLU A 173 23.386 27.369 -0.761 1.00 51.25 C ATOM 2281 CG GLU A 173 24.647 28.212 -0.667 1.00 53.05 C ATOM 2282 CD GLU A 173 25.820 27.444 -0.091 1.00 2.12 C ATOM 2283 OE1 GLU A 173 25.925 27.367 1.151 1.00 30.23 O ATOM 2284 OE2 GLU A 173 26.633 26.921 -0.881 1.00 24.22 O ATOM 0 H GLU A 173 24.039 25.246 0.306 1.00 25.50 H new ATOM 0 HA GLU A 173 23.112 27.680 1.347 1.00 70.31 H new ATOM 0 HB2 GLU A 173 23.596 26.481 -1.357 1.00 51.25 H new ATOM 0 HB3 GLU A 173 22.620 27.935 -1.291 1.00 51.25 H new ATOM 0 HG2 GLU A 173 24.909 28.578 -1.659 1.00 53.05 H new ATOM 0 HG3 GLU A 173 24.450 29.086 -0.046 1.00 53.05 H new ATOM 2291 N LEU A 174 20.809 25.801 -0.097 1.00 55.44 N ATOM 2292 CA LEU A 174 19.369 25.602 -0.226 1.00 0.42 C ATOM 2293 C LEU A 174 18.689 25.646 1.139 1.00 24.10 C ATOM 2294 O LEU A 174 17.694 26.346 1.326 1.00 72.42 O ATOM 2295 CB LEU A 174 19.078 24.266 -0.911 1.00 21.02 C ATOM 2296 CG LEU A 174 19.066 24.284 -2.440 1.00 32.03 C ATOM 2297 CD1 LEU A 174 17.854 25.045 -2.955 1.00 30.22 C ATOM 2298 CD2 LEU A 174 20.351 24.898 -2.976 1.00 72.32 C ATOM 0 H LEU A 174 21.376 25.073 -0.532 1.00 55.44 H new ATOM 0 HA LEU A 174 18.969 26.411 -0.837 1.00 0.42 H new ATOM 0 HB2 LEU A 174 19.823 23.542 -0.582 1.00 21.02 H new ATOM 0 HB3 LEU A 174 18.109 23.906 -0.564 1.00 21.02 H new ATOM 0 HG LEU A 174 19.002 23.256 -2.796 1.00 32.03 H new ATOM 0 HD11 LEU A 174 17.862 25.047 -4.045 1.00 30.22 H new ATOM 0 HD12 LEU A 174 16.943 24.562 -2.600 1.00 30.22 H new ATOM 0 HD13 LEU A 174 17.887 26.071 -2.590 1.00 30.22 H new ATOM 0 HD21 LEU A 174 20.325 24.903 -4.066 1.00 72.32 H new ATOM 0 HD22 LEU A 174 20.445 25.921 -2.611 1.00 72.32 H new ATOM 0 HD23 LEU A 174 21.204 24.311 -2.636 1.00 72.32 H new ATOM 2310 N ASP A 175 19.235 24.896 2.090 1.00 60.31 N ATOM 2311 CA ASP A 175 18.684 24.851 3.439 1.00 34.12 C ATOM 2312 C ASP A 175 18.866 26.191 4.145 1.00 32.34 C ATOM 2313 O ASP A 175 17.941 26.701 4.777 1.00 72.34 O ATOM 2314 CB ASP A 175 19.351 23.738 4.249 1.00 10.42 C ATOM 2315 CG ASP A 175 19.087 23.867 5.736 1.00 32.15 C ATOM 2316 OD1 ASP A 175 17.933 23.640 6.155 1.00 15.43 O ATOM 2317 OD2 ASP A 175 20.034 24.195 6.482 1.00 61.24 O ATOM 0 H ASP A 175 20.059 24.311 1.951 1.00 60.31 H new ATOM 0 HA ASP A 175 17.617 24.643 3.362 1.00 34.12 H new ATOM 0 HB2 ASP A 175 18.987 22.771 3.901 1.00 10.42 H new ATOM 0 HB3 ASP A 175 20.426 23.757 4.071 1.00 10.42 H new ATOM 2322 N GLU A 176 20.065 26.754 4.035 1.00 52.22 N ATOM 2323 CA GLU A 176 20.368 28.034 4.665 1.00 72.21 C ATOM 2324 C GLU A 176 19.376 29.106 4.223 1.00 0.22 C ATOM 2325 O GLU A 176 18.741 29.760 5.052 1.00 61.11 O ATOM 2326 CB GLU A 176 21.794 28.471 4.323 1.00 31.32 C ATOM 2327 CG GLU A 176 22.753 28.391 5.499 1.00 62.42 C ATOM 2328 CD GLU A 176 24.076 29.077 5.220 1.00 64.42 C ATOM 2329 OE1 GLU A 176 24.614 28.900 4.107 1.00 61.41 O ATOM 2330 OE2 GLU A 176 24.574 29.791 6.115 1.00 12.13 O ATOM 0 H GLU A 176 20.842 26.345 3.516 1.00 52.22 H new ATOM 0 HA GLU A 176 20.283 27.908 5.744 1.00 72.21 H new ATOM 0 HB2 GLU A 176 22.172 27.847 3.513 1.00 31.32 H new ATOM 0 HB3 GLU A 176 21.772 29.496 3.952 1.00 31.32 H new ATOM 0 HG2 GLU A 176 22.289 28.847 6.373 1.00 62.42 H new ATOM 0 HG3 GLU A 176 22.935 27.345 5.744 1.00 62.42 H new ATOM 2337 N LEU A 177 19.249 29.282 2.913 1.00 74.24 N ATOM 2338 CA LEU A 177 18.335 30.275 2.359 1.00 13.11 C ATOM 2339 C LEU A 177 16.931 30.100 2.929 1.00 54.43 C ATOM 2340 O LEU A 177 16.241 31.078 3.217 1.00 41.12 O ATOM 2341 CB LEU A 177 18.296 30.167 0.834 1.00 72.03 C ATOM 2342 CG LEU A 177 19.286 31.049 0.073 1.00 41.32 C ATOM 2343 CD1 LEU A 177 19.037 32.518 0.379 1.00 73.04 C ATOM 2344 CD2 LEU A 177 20.717 30.666 0.419 1.00 24.14 C ATOM 0 H LEU A 177 19.767 28.750 2.214 1.00 74.24 H new ATOM 0 HA LEU A 177 18.700 31.264 2.637 1.00 13.11 H new ATOM 0 HB2 LEU A 177 18.479 29.128 0.559 1.00 72.03 H new ATOM 0 HB3 LEU A 177 17.289 30.413 0.498 1.00 72.03 H new ATOM 0 HG LEU A 177 19.137 30.891 -0.995 1.00 41.32 H new ATOM 0 HD11 LEU A 177 19.751 33.130 -0.172 1.00 73.04 H new ATOM 0 HD12 LEU A 177 18.023 32.785 0.080 1.00 73.04 H new ATOM 0 HD13 LEU A 177 19.158 32.692 1.448 1.00 73.04 H new ATOM 0 HD21 LEU A 177 21.408 31.304 -0.132 1.00 24.14 H new ATOM 0 HD22 LEU A 177 20.879 30.794 1.489 1.00 24.14 H new ATOM 0 HD23 LEU A 177 20.891 29.625 0.148 1.00 24.14 H new ATOM 2356 N MET A 178 16.515 28.848 3.090 1.00 13.52 N ATOM 2357 CA MET A 178 15.194 28.546 3.629 1.00 12.00 C ATOM 2358 C MET A 178 15.007 29.185 5.001 1.00 11.53 C ATOM 2359 O MET A 178 13.935 29.703 5.314 1.00 3.22 O ATOM 2360 CB MET A 178 14.994 27.032 3.727 1.00 11.43 C ATOM 2361 CG MET A 178 13.540 26.621 3.889 1.00 34.24 C ATOM 2362 SD MET A 178 13.262 25.615 5.360 1.00 23.00 S ATOM 2363 CE MET A 178 11.570 25.090 5.097 1.00 1.21 C ATOM 0 H MET A 178 17.073 28.027 2.855 1.00 13.52 H new ATOM 0 HA MET A 178 14.449 28.961 2.950 1.00 12.00 H new ATOM 0 HB2 MET A 178 15.398 26.561 2.831 1.00 11.43 H new ATOM 0 HB3 MET A 178 15.567 26.652 4.573 1.00 11.43 H new ATOM 0 HG2 MET A 178 12.918 27.514 3.942 1.00 34.24 H new ATOM 0 HG3 MET A 178 13.224 26.064 3.007 1.00 34.24 H new ATOM 0 HE1 MET A 178 10.930 25.528 5.863 1.00 1.21 H new ATOM 0 HE2 MET A 178 11.236 25.419 4.113 1.00 1.21 H new ATOM 0 HE3 MET A 178 11.513 24.003 5.155 1.00 1.21 H new ATOM 2373 N ALA A 179 16.056 29.145 5.816 1.00 43.32 N ATOM 2374 CA ALA A 179 16.008 29.722 7.153 1.00 14.34 C ATOM 2375 C ALA A 179 16.062 31.245 7.097 1.00 55.24 C ATOM 2376 O ALA A 179 15.372 31.929 7.853 1.00 23.14 O ATOM 2377 CB ALA A 179 17.149 29.183 8.003 1.00 41.13 C ATOM 0 H ALA A 179 16.950 28.718 5.573 1.00 43.32 H new ATOM 0 HA ALA A 179 15.061 29.435 7.611 1.00 14.34 H new ATOM 0 HB1 ALA A 179 17.100 29.623 8.999 1.00 41.13 H new ATOM 0 HB2 ALA A 179 17.064 28.099 8.081 1.00 41.13 H new ATOM 0 HB3 ALA A 179 18.101 29.440 7.539 1.00 41.13 H new ATOM 2383 N SER A 180 16.885 31.770 6.195 1.00 3.43 N ATOM 2384 CA SER A 180 17.032 33.213 6.043 1.00 5.22 C ATOM 2385 C SER A 180 15.692 33.865 5.719 1.00 74.22 C ATOM 2386 O SER A 180 15.446 35.018 6.074 1.00 4.41 O ATOM 2387 CB SER A 180 18.046 33.530 4.942 1.00 2.42 C ATOM 2388 OG SER A 180 17.463 33.396 3.658 1.00 51.13 O ATOM 0 H SER A 180 17.460 31.218 5.559 1.00 3.43 H new ATOM 0 HA SER A 180 17.394 33.618 6.988 1.00 5.22 H new ATOM 0 HB2 SER A 180 18.421 34.545 5.070 1.00 2.42 H new ATOM 0 HB3 SER A 180 18.902 32.861 5.028 1.00 2.42 H new ATOM 0 HG SER A 180 16.944 32.566 3.620 1.00 51.13 H new ATOM 2394 N LEU A 181 14.827 33.118 5.042 1.00 73.25 N ATOM 2395 CA LEU A 181 13.509 33.621 4.668 1.00 4.20 C ATOM 2396 C LEU A 181 12.483 33.318 5.754 1.00 15.14 C ATOM 2397 O LEU A 181 11.484 34.024 5.893 1.00 54.03 O ATOM 2398 CB LEU A 181 13.063 33.003 3.342 1.00 51.53 C ATOM 2399 CG LEU A 181 13.798 33.492 2.093 1.00 71.42 C ATOM 2400 CD1 LEU A 181 13.865 32.389 1.048 1.00 62.22 C ATOM 2401 CD2 LEU A 181 13.118 34.728 1.523 1.00 1.11 C ATOM 0 H LEU A 181 15.014 32.162 4.741 1.00 73.25 H new ATOM 0 HA LEU A 181 13.579 34.703 4.552 1.00 4.20 H new ATOM 0 HB2 LEU A 181 13.183 31.922 3.410 1.00 51.53 H new ATOM 0 HB3 LEU A 181 11.999 33.199 3.213 1.00 51.53 H new ATOM 0 HG LEU A 181 14.816 33.760 2.375 1.00 71.42 H new ATOM 0 HD11 LEU A 181 14.391 32.755 0.166 1.00 62.22 H new ATOM 0 HD12 LEU A 181 14.397 31.531 1.458 1.00 62.22 H new ATOM 0 HD13 LEU A 181 12.855 32.090 0.769 1.00 62.22 H new ATOM 0 HD21 LEU A 181 13.655 35.062 0.635 1.00 1.11 H new ATOM 0 HD22 LEU A 181 12.089 34.487 1.256 1.00 1.11 H new ATOM 0 HD23 LEU A 181 13.122 35.522 2.269 1.00 1.11 H new ATOM 2413 N SER A 182 12.737 32.265 6.524 1.00 34.24 N ATOM 2414 CA SER A 182 11.833 31.867 7.598 1.00 4.20 C ATOM 2415 C SER A 182 11.704 32.976 8.638 1.00 50.33 C ATOM 2416 O SER A 182 10.597 33.375 9.001 1.00 5.42 O ATOM 2417 CB SER A 182 12.333 30.584 8.264 1.00 20.13 C ATOM 2418 OG SER A 182 11.473 30.189 9.319 1.00 5.15 O ATOM 0 H SER A 182 13.561 31.672 6.425 1.00 34.24 H new ATOM 0 HA SER A 182 10.850 31.684 7.164 1.00 4.20 H new ATOM 0 HB2 SER A 182 12.395 29.787 7.524 1.00 20.13 H new ATOM 0 HB3 SER A 182 13.340 30.740 8.650 1.00 20.13 H new ATOM 0 HG SER A 182 11.813 29.366 9.728 1.00 5.15 H new ATOM 2424 N ASP A 183 12.843 33.470 9.112 1.00 34.50 N ATOM 2425 CA ASP A 183 12.858 34.533 10.109 1.00 3.43 C ATOM 2426 C ASP A 183 14.182 35.290 10.075 1.00 3.35 C ATOM 2427 O ASP A 183 15.141 34.915 10.752 1.00 71.53 O ATOM 2428 CB ASP A 183 12.622 33.956 11.506 1.00 42.12 C ATOM 2429 CG ASP A 183 12.337 35.031 12.536 1.00 54.00 C ATOM 2430 OD1 ASP A 183 11.693 36.040 12.178 1.00 1.14 O ATOM 2431 OD2 ASP A 183 12.756 34.863 13.700 1.00 32.10 O ATOM 0 H ASP A 183 13.767 33.151 8.822 1.00 34.50 H new ATOM 0 HA ASP A 183 12.054 35.230 9.873 1.00 3.43 H new ATOM 0 HB2 ASP A 183 11.785 33.259 11.471 1.00 42.12 H new ATOM 0 HB3 ASP A 183 13.499 33.386 11.813 1.00 42.12 H new