USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 337 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 18 MET CE :methyl -127:sc= -3.62! (180deg=-3.07!) USER MOD Set 1.2: A 21 MET CE :methyl -177:sc= -4.57! (180deg=-4.59!) USER MOD Single : A 14 SER OG : rot -100:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.618 K(o=-0.62,f=-5.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.7) USER MOD Single : A 36 THR OG1 : rot -62:sc= 1.29 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0627 X(o=-0.063,f=-0.56) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 56:sc= -0.538 USER MOD Single : A 49 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.071) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ALA A 7 2.641 -14.502 -3.018 1.00 51.25 N ATOM 75 CA ALA A 7 1.700 -15.562 -3.360 1.00 3.30 C ATOM 76 C ALA A 7 1.170 -16.250 -2.107 1.00 1.13 C ATOM 77 O ALA A 7 1.481 -15.846 -0.986 1.00 41.42 O ATOM 78 CB ALA A 7 2.360 -16.576 -4.282 1.00 42.14 C ATOM 0 HA ALA A 7 0.855 -15.111 -3.880 1.00 3.30 H new ATOM 0 HB1 ALA A 7 1.646 -17.362 -4.529 1.00 42.14 H new ATOM 0 HB2 ALA A 7 2.684 -16.079 -5.197 1.00 42.14 H new ATOM 0 HB3 ALA A 7 3.223 -17.015 -3.782 1.00 42.14 H new ATOM 84 N ASP A 8 0.368 -17.291 -2.303 1.00 42.54 N ATOM 85 CA ASP A 8 -0.205 -18.035 -1.189 1.00 32.55 C ATOM 86 C ASP A 8 0.121 -19.521 -1.303 1.00 33.31 C ATOM 87 O ASP A 8 0.454 -20.028 -2.374 1.00 65.12 O ATOM 88 CB ASP A 8 -1.721 -17.835 -1.139 1.00 63.44 C ATOM 89 CG ASP A 8 -2.160 -17.032 0.069 1.00 22.22 C ATOM 90 OD1 ASP A 8 -1.591 -15.944 0.297 1.00 0.13 O ATOM 91 OD2 ASP A 8 -3.073 -17.492 0.786 1.00 2.44 O ATOM 0 H ASP A 8 0.100 -17.638 -3.224 1.00 42.54 H new ATOM 0 HA ASP A 8 0.234 -17.655 -0.267 1.00 32.55 H new ATOM 0 HB2 ASP A 8 -2.048 -17.328 -2.047 1.00 63.44 H new ATOM 0 HB3 ASP A 8 -2.212 -18.808 -1.123 1.00 63.44 H new ATOM 96 N PRO A 9 0.023 -20.238 -0.173 1.00 4.50 N ATOM 97 CA PRO A 9 0.304 -21.675 -0.120 1.00 63.34 C ATOM 98 C PRO A 9 -0.751 -22.499 -0.849 1.00 75.35 C ATOM 99 O PRO A 9 -0.445 -23.534 -1.441 1.00 61.33 O ATOM 100 CB PRO A 9 0.284 -21.986 1.378 1.00 23.13 C ATOM 101 CG PRO A 9 -0.586 -20.933 1.972 1.00 40.30 C ATOM 102 CD PRO A 9 -0.369 -19.699 1.140 1.00 1.12 C ATOM 0 HA PRO A 9 1.246 -21.924 -0.608 1.00 63.34 H new ATOM 0 HB2 PRO A 9 -0.113 -22.983 1.570 1.00 23.13 H new ATOM 0 HB3 PRO A 9 1.288 -21.956 1.802 1.00 23.13 H new ATOM 0 HG2 PRO A 9 -1.633 -21.236 1.955 1.00 40.30 H new ATOM 0 HG3 PRO A 9 -0.324 -20.752 3.014 1.00 40.30 H new ATOM 0 HD2 PRO A 9 -1.274 -19.095 1.073 1.00 1.12 H new ATOM 0 HD3 PRO A 9 0.409 -19.062 1.561 1.00 1.12 H new ATOM 110 N ARG A 10 -1.995 -22.033 -0.803 1.00 32.31 N ATOM 111 CA ARG A 10 -3.096 -22.728 -1.459 1.00 34.23 C ATOM 112 C ARG A 10 -3.258 -22.253 -2.900 1.00 12.34 C ATOM 113 O ARG A 10 -4.234 -22.591 -3.570 1.00 55.44 O ATOM 114 CB ARG A 10 -4.399 -22.506 -0.688 1.00 20.02 C ATOM 115 CG ARG A 10 -4.749 -23.643 0.258 1.00 63.52 C ATOM 116 CD ARG A 10 -3.889 -23.610 1.512 1.00 52.42 C ATOM 117 NE ARG A 10 -4.397 -24.505 2.548 1.00 62.44 N ATOM 118 CZ ARG A 10 -3.689 -24.878 3.608 1.00 12.03 C ATOM 119 NH1 ARG A 10 -2.451 -24.434 3.772 1.00 3.05 N ATOM 120 NH2 ARG A 10 -4.221 -25.696 4.508 1.00 44.02 N ATOM 0 H ARG A 10 -2.265 -21.177 -0.318 1.00 32.31 H new ATOM 0 HA ARG A 10 -2.865 -23.793 -1.470 1.00 34.23 H new ATOM 0 HB2 ARG A 10 -4.320 -21.581 -0.117 1.00 20.02 H new ATOM 0 HB3 ARG A 10 -5.214 -22.373 -1.399 1.00 20.02 H new ATOM 0 HG2 ARG A 10 -5.801 -23.576 0.535 1.00 63.52 H new ATOM 0 HG3 ARG A 10 -4.614 -24.597 -0.252 1.00 63.52 H new ATOM 0 HD2 ARG A 10 -2.867 -23.892 1.258 1.00 52.42 H new ATOM 0 HD3 ARG A 10 -3.852 -22.592 1.899 1.00 52.42 H new ATOM 0 HE ARG A 10 -5.347 -24.863 2.452 1.00 62.44 H new ATOM 0 HH11 ARG A 10 -2.040 -23.804 3.083 1.00 3.05 H new ATOM 0 HH12 ARG A 10 -1.910 -24.722 4.587 1.00 3.05 H new ATOM 0 HH21 ARG A 10 -5.174 -26.038 4.386 1.00 44.02 H new ATOM 0 HH22 ARG A 10 -3.677 -25.982 5.322 1.00 44.02 H new ATOM 134 N LEU A 11 -2.296 -21.467 -3.369 1.00 44.22 N ATOM 135 CA LEU A 11 -2.331 -20.944 -4.731 1.00 1.14 C ATOM 136 C LEU A 11 -1.141 -21.451 -5.539 1.00 51.55 C ATOM 137 O LEU A 11 -1.298 -21.914 -6.670 1.00 14.35 O ATOM 138 CB LEU A 11 -2.334 -19.414 -4.711 1.00 33.34 C ATOM 139 CG LEU A 11 -2.147 -18.725 -6.063 1.00 13.15 C ATOM 140 CD1 LEU A 11 -3.391 -18.890 -6.922 1.00 42.33 C ATOM 141 CD2 LEU A 11 -1.822 -17.251 -5.869 1.00 62.01 C ATOM 0 H LEU A 11 -1.482 -21.177 -2.827 1.00 44.22 H new ATOM 0 HA LEU A 11 -3.246 -21.297 -5.206 1.00 1.14 H new ATOM 0 HB2 LEU A 11 -3.278 -19.078 -4.282 1.00 33.34 H new ATOM 0 HB3 LEU A 11 -1.542 -19.078 -4.042 1.00 33.34 H new ATOM 0 HG LEU A 11 -1.310 -19.197 -6.578 1.00 13.15 H new ATOM 0 HD11 LEU A 11 -3.240 -18.393 -7.880 1.00 42.33 H new ATOM 0 HD12 LEU A 11 -3.580 -19.950 -7.089 1.00 42.33 H new ATOM 0 HD13 LEU A 11 -4.246 -18.445 -6.413 1.00 42.33 H new ATOM 0 HD21 LEU A 11 -1.692 -16.776 -6.841 1.00 62.01 H new ATOM 0 HD22 LEU A 11 -2.638 -16.766 -5.334 1.00 62.01 H new ATOM 0 HD23 LEU A 11 -0.902 -17.154 -5.292 1.00 62.01 H new ATOM 153 N ILE A 12 0.048 -21.361 -4.953 1.00 33.23 N ATOM 154 CA ILE A 12 1.263 -21.814 -5.618 1.00 2.32 C ATOM 155 C ILE A 12 1.128 -23.258 -6.088 1.00 14.10 C ATOM 156 O ILE A 12 1.745 -23.660 -7.073 1.00 71.24 O ATOM 157 CB ILE A 12 2.488 -21.700 -4.691 1.00 32.34 C ATOM 158 CG1 ILE A 12 2.282 -22.547 -3.433 1.00 4.34 C ATOM 159 CG2 ILE A 12 2.740 -20.246 -4.322 1.00 21.11 C ATOM 160 CD1 ILE A 12 2.971 -23.892 -3.490 1.00 70.25 C ATOM 0 H ILE A 12 0.196 -20.978 -4.019 1.00 33.23 H new ATOM 0 HA ILE A 12 1.409 -21.166 -6.482 1.00 2.32 H new ATOM 0 HB ILE A 12 3.363 -22.076 -5.221 1.00 32.34 H new ATOM 0 HG12 ILE A 12 2.652 -21.995 -2.569 1.00 4.34 H new ATOM 0 HG13 ILE A 12 1.214 -22.701 -3.280 1.00 4.34 H new ATOM 0 HG21 ILE A 12 3.609 -20.182 -3.667 1.00 21.11 H new ATOM 0 HG22 ILE A 12 2.925 -19.668 -5.227 1.00 21.11 H new ATOM 0 HG23 ILE A 12 1.867 -19.845 -3.807 1.00 21.11 H new ATOM 0 HD11 ILE A 12 2.782 -24.437 -2.565 1.00 70.25 H new ATOM 0 HD12 ILE A 12 2.584 -24.463 -4.334 1.00 70.25 H new ATOM 0 HD13 ILE A 12 4.044 -23.746 -3.612 1.00 70.25 H new ATOM 172 N GLU A 13 0.314 -24.032 -5.377 1.00 30.22 N ATOM 173 CA GLU A 13 0.097 -25.432 -5.723 1.00 13.03 C ATOM 174 C GLU A 13 -0.362 -25.569 -7.172 1.00 21.54 C ATOM 175 O GLU A 13 0.090 -26.457 -7.895 1.00 52.13 O ATOM 176 CB GLU A 13 -0.940 -26.057 -4.787 1.00 11.34 C ATOM 177 CG GLU A 13 -2.268 -25.318 -4.769 1.00 5.33 C ATOM 178 CD GLU A 13 -3.308 -25.966 -5.660 1.00 74.35 C ATOM 179 OE1 GLU A 13 -2.916 -26.662 -6.620 1.00 63.15 O ATOM 180 OE2 GLU A 13 -4.515 -25.778 -5.399 1.00 22.31 O ATOM 0 H GLU A 13 -0.205 -23.714 -4.559 1.00 30.22 H new ATOM 0 HA GLU A 13 1.044 -25.959 -5.608 1.00 13.03 H new ATOM 0 HB2 GLU A 13 -1.113 -27.090 -5.088 1.00 11.34 H new ATOM 0 HB3 GLU A 13 -0.535 -26.083 -3.775 1.00 11.34 H new ATOM 0 HG2 GLU A 13 -2.644 -25.279 -3.747 1.00 5.33 H new ATOM 0 HG3 GLU A 13 -2.111 -24.288 -5.090 1.00 5.33 H new ATOM 187 N SER A 14 -1.263 -24.685 -7.588 1.00 3.05 N ATOM 188 CA SER A 14 -1.787 -24.709 -8.948 1.00 65.52 C ATOM 189 C SER A 14 -0.744 -24.205 -9.941 1.00 24.20 C ATOM 190 O SER A 14 -0.473 -24.849 -10.956 1.00 3.14 O ATOM 191 CB SER A 14 -3.053 -23.857 -9.045 1.00 34.20 C ATOM 192 OG SER A 14 -4.123 -24.451 -8.329 1.00 50.55 O ATOM 0 H SER A 14 -1.645 -23.943 -7.002 1.00 3.05 H new ATOM 0 HA SER A 14 -2.033 -25.741 -9.198 1.00 65.52 H new ATOM 0 HB2 SER A 14 -2.856 -22.860 -8.650 1.00 34.20 H new ATOM 0 HB3 SER A 14 -3.334 -23.735 -10.091 1.00 34.20 H new ATOM 0 HG SER A 14 -4.715 -24.919 -8.954 1.00 50.55 H new ATOM 198 N LEU A 15 -0.161 -23.049 -9.641 1.00 73.44 N ATOM 199 CA LEU A 15 0.853 -22.457 -10.507 1.00 13.45 C ATOM 200 C LEU A 15 1.919 -23.482 -10.878 1.00 75.54 C ATOM 201 O LEU A 15 2.332 -23.572 -12.034 1.00 50.34 O ATOM 202 CB LEU A 15 1.503 -21.257 -9.816 1.00 13.44 C ATOM 203 CG LEU A 15 0.640 -19.999 -9.701 1.00 71.45 C ATOM 204 CD1 LEU A 15 0.635 -19.483 -8.271 1.00 22.20 C ATOM 205 CD2 LEU A 15 1.136 -18.924 -10.657 1.00 13.20 C ATOM 0 H LEU A 15 -0.373 -22.504 -8.805 1.00 73.44 H new ATOM 0 HA LEU A 15 0.364 -22.122 -11.422 1.00 13.45 H new ATOM 0 HB2 LEU A 15 1.804 -21.560 -8.813 1.00 13.44 H new ATOM 0 HB3 LEU A 15 2.413 -21.000 -10.358 1.00 13.44 H new ATOM 0 HG LEU A 15 -0.383 -20.257 -9.975 1.00 71.45 H new ATOM 0 HD11 LEU A 15 0.016 -18.588 -8.209 1.00 22.20 H new ATOM 0 HD12 LEU A 15 0.232 -20.249 -7.609 1.00 22.20 H new ATOM 0 HD13 LEU A 15 1.654 -19.241 -7.968 1.00 22.20 H new ATOM 0 HD21 LEU A 15 0.511 -18.036 -10.562 1.00 13.20 H new ATOM 0 HD22 LEU A 15 2.168 -18.669 -10.414 1.00 13.20 H new ATOM 0 HD23 LEU A 15 1.085 -19.296 -11.680 1.00 13.20 H new ATOM 217 N SER A 16 2.358 -24.256 -9.891 1.00 33.40 N ATOM 218 CA SER A 16 3.377 -25.276 -10.114 1.00 15.51 C ATOM 219 C SER A 16 3.010 -26.160 -11.302 1.00 13.40 C ATOM 220 O SER A 16 3.883 -26.634 -12.028 1.00 74.12 O ATOM 221 CB SER A 16 3.552 -26.134 -8.860 1.00 23.11 C ATOM 222 OG SER A 16 4.822 -26.763 -8.846 1.00 42.30 O ATOM 0 H SER A 16 2.024 -24.197 -8.929 1.00 33.40 H new ATOM 0 HA SER A 16 4.318 -24.772 -10.335 1.00 15.51 H new ATOM 0 HB2 SER A 16 3.441 -25.512 -7.972 1.00 23.11 H new ATOM 0 HB3 SER A 16 2.768 -26.890 -8.820 1.00 23.11 H new ATOM 0 HG SER A 16 4.910 -27.304 -8.034 1.00 42.30 H new ATOM 228 N GLN A 17 1.712 -26.376 -11.492 1.00 42.13 N ATOM 229 CA GLN A 17 1.229 -27.203 -12.591 1.00 64.44 C ATOM 230 C GLN A 17 1.206 -26.415 -13.897 1.00 24.31 C ATOM 231 O GLN A 17 1.544 -26.942 -14.957 1.00 11.32 O ATOM 232 CB GLN A 17 -0.170 -27.737 -12.279 1.00 62.14 C ATOM 233 CG GLN A 17 -0.316 -28.270 -10.863 1.00 41.12 C ATOM 234 CD GLN A 17 -0.944 -29.649 -10.820 1.00 53.23 C ATOM 235 OE1 GLN A 17 -1.671 -30.041 -11.734 1.00 21.22 O ATOM 236 NE2 GLN A 17 -0.667 -30.393 -9.756 1.00 73.21 N ATOM 0 H GLN A 17 0.977 -25.990 -10.899 1.00 42.13 H new ATOM 0 HA GLN A 17 1.913 -28.043 -12.707 1.00 64.44 H new ATOM 0 HB2 GLN A 17 -0.897 -26.940 -12.435 1.00 62.14 H new ATOM 0 HB3 GLN A 17 -0.412 -28.532 -12.984 1.00 62.14 H new ATOM 0 HG2 GLN A 17 0.665 -28.307 -10.390 1.00 41.12 H new ATOM 0 HG3 GLN A 17 -0.925 -27.579 -10.280 1.00 41.12 H new ATOM 0 HE21 GLN A 17 -0.060 -30.028 -9.022 1.00 73.21 H new ATOM 0 HE22 GLN A 17 -1.062 -31.330 -9.672 1.00 73.21 H new ATOM 245 N MET A 18 0.806 -25.151 -13.812 1.00 53.01 N ATOM 246 CA MET A 18 0.740 -24.290 -14.987 1.00 74.24 C ATOM 247 C MET A 18 2.136 -23.998 -15.526 1.00 44.23 C ATOM 248 O MET A 18 2.445 -24.305 -16.678 1.00 63.43 O ATOM 249 CB MET A 18 0.027 -22.980 -14.647 1.00 1.11 C ATOM 250 CG MET A 18 -1.309 -23.178 -13.950 1.00 31.12 C ATOM 251 SD MET A 18 -2.709 -22.711 -14.986 1.00 30.40 S ATOM 252 CE MET A 18 -2.284 -23.534 -16.519 1.00 75.13 C ATOM 0 H MET A 18 0.523 -24.700 -12.942 1.00 53.01 H new ATOM 0 HA MET A 18 0.174 -24.813 -15.758 1.00 74.24 H new ATOM 0 HB2 MET A 18 0.675 -22.378 -14.009 1.00 1.11 H new ATOM 0 HB3 MET A 18 -0.132 -22.414 -15.565 1.00 1.11 H new ATOM 0 HG2 MET A 18 -1.411 -24.223 -13.658 1.00 31.12 H new ATOM 0 HG3 MET A 18 -1.327 -22.588 -13.034 1.00 31.12 H new ATOM 0 HE1 MET A 18 -2.309 -22.814 -17.337 1.00 75.13 H new ATOM 0 HE2 MET A 18 -1.283 -23.958 -16.439 1.00 75.13 H new ATOM 0 HE3 MET A 18 -3.001 -24.331 -16.715 1.00 75.13 H new ATOM 262 N LEU A 19 2.977 -23.402 -14.687 1.00 74.32 N ATOM 263 CA LEU A 19 4.341 -23.068 -15.080 1.00 23.03 C ATOM 264 C LEU A 19 5.077 -24.300 -15.596 1.00 73.52 C ATOM 265 O LEU A 19 5.917 -24.205 -16.491 1.00 11.22 O ATOM 266 CB LEU A 19 5.100 -22.466 -13.896 1.00 4.10 C ATOM 267 CG LEU A 19 4.395 -21.330 -13.154 1.00 31.43 C ATOM 268 CD1 LEU A 19 5.265 -20.813 -12.019 1.00 11.21 C ATOM 269 CD2 LEU A 19 4.042 -20.204 -14.114 1.00 12.10 C ATOM 0 H LEU A 19 2.738 -23.140 -13.731 1.00 74.32 H new ATOM 0 HA LEU A 19 4.292 -22.334 -15.884 1.00 23.03 H new ATOM 0 HB2 LEU A 19 5.311 -23.263 -13.183 1.00 4.10 H new ATOM 0 HB3 LEU A 19 6.061 -22.097 -14.256 1.00 4.10 H new ATOM 0 HG LEU A 19 3.471 -21.719 -12.727 1.00 31.43 H new ATOM 0 HD11 LEU A 19 4.747 -20.005 -11.502 1.00 11.21 H new ATOM 0 HD12 LEU A 19 5.466 -21.622 -11.317 1.00 11.21 H new ATOM 0 HD13 LEU A 19 6.206 -20.441 -12.423 1.00 11.21 H new ATOM 0 HD21 LEU A 19 3.541 -19.404 -13.568 1.00 12.10 H new ATOM 0 HD22 LEU A 19 4.953 -19.816 -14.571 1.00 12.10 H new ATOM 0 HD23 LEU A 19 3.379 -20.583 -14.892 1.00 12.10 H new ATOM 281 N SER A 20 4.753 -25.458 -15.028 1.00 2.30 N ATOM 282 CA SER A 20 5.384 -26.709 -15.430 1.00 22.42 C ATOM 283 C SER A 20 4.759 -27.245 -16.714 1.00 71.13 C ATOM 284 O SER A 20 5.407 -27.953 -17.484 1.00 71.24 O ATOM 285 CB SER A 20 5.258 -27.750 -14.315 1.00 53.32 C ATOM 286 OG SER A 20 5.992 -28.922 -14.626 1.00 14.54 O ATOM 0 H SER A 20 4.057 -25.555 -14.288 1.00 2.30 H new ATOM 0 HA SER A 20 6.440 -26.511 -15.615 1.00 22.42 H new ATOM 0 HB2 SER A 20 5.620 -27.329 -13.377 1.00 53.32 H new ATOM 0 HB3 SER A 20 4.208 -28.003 -14.167 1.00 53.32 H new ATOM 0 HG SER A 20 5.897 -29.571 -13.898 1.00 14.54 H new ATOM 292 N MET A 21 3.495 -26.901 -16.938 1.00 33.34 N ATOM 293 CA MET A 21 2.781 -27.346 -18.129 1.00 62.30 C ATOM 294 C MET A 21 3.182 -26.516 -19.344 1.00 53.04 C ATOM 295 O MET A 21 3.226 -27.021 -20.466 1.00 2.55 O ATOM 296 CB MET A 21 1.270 -27.254 -17.909 1.00 1.40 C ATOM 297 CG MET A 21 0.642 -28.559 -17.447 1.00 50.44 C ATOM 298 SD MET A 21 -1.153 -28.455 -17.309 1.00 3.25 S ATOM 299 CE MET A 21 -1.330 -26.984 -16.301 1.00 61.24 C ATOM 0 H MET A 21 2.944 -26.315 -16.310 1.00 33.34 H new ATOM 0 HA MET A 21 3.050 -28.386 -18.316 1.00 62.30 H new ATOM 0 HB2 MET A 21 1.065 -26.480 -17.169 1.00 1.40 H new ATOM 0 HB3 MET A 21 0.794 -26.940 -18.838 1.00 1.40 H new ATOM 0 HG2 MET A 21 0.903 -29.352 -18.148 1.00 50.44 H new ATOM 0 HG3 MET A 21 1.061 -28.837 -16.480 1.00 50.44 H new ATOM 0 HE1 MET A 21 -2.385 -26.817 -16.083 1.00 61.24 H new ATOM 0 HE2 MET A 21 -0.783 -27.115 -15.368 1.00 61.24 H new ATOM 0 HE3 MET A 21 -0.930 -26.124 -16.839 1.00 61.24 H new ATOM 309 N GLY A 22 3.472 -25.239 -19.114 1.00 22.02 N ATOM 310 CA GLY A 22 3.865 -24.360 -20.200 1.00 14.23 C ATOM 311 C GLY A 22 3.216 -22.993 -20.102 1.00 72.35 C ATOM 312 O GLY A 22 2.655 -22.494 -21.078 1.00 13.31 O ATOM 0 H GLY A 22 3.442 -24.798 -18.195 1.00 22.02 H new ATOM 0 HA2 GLY A 22 4.949 -24.245 -20.197 1.00 14.23 H new ATOM 0 HA3 GLY A 22 3.596 -24.819 -21.151 1.00 14.23 H new ATOM 316 N PHE A 23 3.290 -22.387 -18.922 1.00 64.22 N ATOM 317 CA PHE A 23 2.703 -21.071 -18.700 1.00 42.03 C ATOM 318 C PHE A 23 3.613 -20.209 -17.829 1.00 70.44 C ATOM 319 O PHE A 23 4.670 -20.657 -17.384 1.00 53.00 O ATOM 320 CB PHE A 23 1.328 -21.207 -18.043 1.00 3.21 C ATOM 321 CG PHE A 23 0.315 -21.898 -18.910 1.00 10.12 C ATOM 322 CD1 PHE A 23 0.174 -23.276 -18.869 1.00 54.30 C ATOM 323 CD2 PHE A 23 -0.496 -21.170 -19.765 1.00 14.11 C ATOM 324 CE1 PHE A 23 -0.758 -23.914 -19.666 1.00 65.13 C ATOM 325 CE2 PHE A 23 -1.430 -21.803 -20.564 1.00 43.13 C ATOM 326 CZ PHE A 23 -1.561 -23.177 -20.514 1.00 40.31 C ATOM 0 H PHE A 23 3.751 -22.786 -18.104 1.00 64.22 H new ATOM 0 HA PHE A 23 2.589 -20.584 -19.668 1.00 42.03 H new ATOM 0 HB2 PHE A 23 1.433 -21.760 -17.110 1.00 3.21 H new ATOM 0 HB3 PHE A 23 0.958 -20.215 -17.785 1.00 3.21 H new ATOM 0 HD1 PHE A 23 0.799 -23.858 -18.207 1.00 54.30 H new ATOM 0 HD2 PHE A 23 -0.398 -20.095 -19.808 1.00 14.11 H new ATOM 0 HE1 PHE A 23 -0.858 -24.989 -19.626 1.00 65.13 H new ATOM 0 HE2 PHE A 23 -2.056 -21.224 -21.226 1.00 43.13 H new ATOM 0 HZ PHE A 23 -2.290 -23.674 -21.137 1.00 40.31 H new ATOM 336 N SER A 24 3.194 -18.970 -17.591 1.00 64.54 N ATOM 337 CA SER A 24 3.973 -18.044 -16.778 1.00 13.31 C ATOM 338 C SER A 24 3.057 -17.139 -15.958 1.00 60.45 C ATOM 339 O SER A 24 1.849 -17.363 -15.886 1.00 15.01 O ATOM 340 CB SER A 24 4.885 -17.195 -17.665 1.00 61.15 C ATOM 341 OG SER A 24 6.082 -16.853 -16.988 1.00 34.15 O ATOM 0 H SER A 24 2.320 -18.585 -17.949 1.00 64.54 H new ATOM 0 HA SER A 24 4.587 -18.629 -16.093 1.00 13.31 H new ATOM 0 HB2 SER A 24 5.123 -17.743 -18.577 1.00 61.15 H new ATOM 0 HB3 SER A 24 4.362 -16.287 -17.966 1.00 61.15 H new ATOM 0 HG SER A 24 6.648 -16.312 -17.577 1.00 34.15 H new ATOM 347 N ASP A 25 3.642 -16.118 -15.343 1.00 52.31 N ATOM 348 CA ASP A 25 2.880 -15.178 -14.529 1.00 51.31 C ATOM 349 C ASP A 25 3.210 -13.738 -14.910 1.00 11.35 C ATOM 350 O ASP A 25 3.185 -12.842 -14.066 1.00 72.21 O ATOM 351 CB ASP A 25 3.169 -15.405 -13.044 1.00 73.14 C ATOM 352 CG ASP A 25 4.648 -15.324 -12.723 1.00 62.04 C ATOM 353 OD1 ASP A 25 5.344 -16.350 -12.873 1.00 3.32 O ATOM 354 OD2 ASP A 25 5.110 -14.235 -12.322 1.00 32.11 O ATOM 0 H ASP A 25 4.641 -15.920 -15.392 1.00 52.31 H new ATOM 0 HA ASP A 25 1.820 -15.350 -14.715 1.00 51.31 H new ATOM 0 HB2 ASP A 25 2.631 -14.662 -12.455 1.00 73.14 H new ATOM 0 HB3 ASP A 25 2.789 -16.383 -12.748 1.00 73.14 H new ATOM 359 N GLU A 26 3.520 -13.524 -16.184 1.00 52.15 N ATOM 360 CA GLU A 26 3.857 -12.193 -16.675 1.00 53.31 C ATOM 361 C GLU A 26 2.784 -11.181 -16.284 1.00 15.12 C ATOM 362 O GLU A 26 1.637 -11.276 -16.720 1.00 0.33 O ATOM 363 CB GLU A 26 4.024 -12.213 -18.196 1.00 0.31 C ATOM 364 CG GLU A 26 5.223 -13.020 -18.666 1.00 15.21 C ATOM 365 CD GLU A 26 6.310 -12.152 -19.270 1.00 33.23 C ATOM 366 OE1 GLU A 26 6.113 -11.656 -20.399 1.00 11.44 O ATOM 367 OE2 GLU A 26 7.357 -11.970 -18.614 1.00 54.11 O ATOM 0 H GLU A 26 3.545 -14.255 -16.895 1.00 52.15 H new ATOM 0 HA GLU A 26 4.800 -11.893 -16.217 1.00 53.31 H new ATOM 0 HB2 GLU A 26 3.121 -12.624 -18.647 1.00 0.31 H new ATOM 0 HB3 GLU A 26 4.122 -11.189 -18.556 1.00 0.31 H new ATOM 0 HG2 GLU A 26 5.634 -13.577 -17.824 1.00 15.21 H new ATOM 0 HG3 GLU A 26 4.896 -13.753 -19.404 1.00 15.21 H new ATOM 374 N GLY A 27 3.165 -10.212 -15.457 1.00 2.11 N ATOM 375 CA GLY A 27 2.225 -9.197 -15.020 1.00 12.24 C ATOM 376 C GLY A 27 1.411 -9.639 -13.820 1.00 33.02 C ATOM 377 O GLY A 27 1.342 -8.935 -12.814 1.00 10.54 O ATOM 0 H GLY A 27 4.108 -10.112 -15.082 1.00 2.11 H new ATOM 0 HA2 GLY A 27 2.769 -8.286 -14.771 1.00 12.24 H new ATOM 0 HA3 GLY A 27 1.552 -8.952 -15.841 1.00 12.24 H new ATOM 381 N GLY A 28 0.790 -10.810 -13.927 1.00 31.13 N ATOM 382 CA GLY A 28 -0.017 -11.324 -12.836 1.00 20.24 C ATOM 383 C GLY A 28 -1.341 -11.891 -13.310 1.00 45.41 C ATOM 384 O GLY A 28 -2.394 -11.569 -12.760 1.00 3.01 O ATOM 0 H GLY A 28 0.832 -11.412 -14.750 1.00 31.13 H new ATOM 0 HA2 GLY A 28 0.540 -12.100 -12.311 1.00 20.24 H new ATOM 0 HA3 GLY A 28 -0.204 -10.525 -12.119 1.00 20.24 H new ATOM 388 N TRP A 29 -1.288 -12.734 -14.334 1.00 64.24 N ATOM 389 CA TRP A 29 -2.493 -13.345 -14.884 1.00 64.20 C ATOM 390 C TRP A 29 -2.725 -14.727 -14.283 1.00 63.24 C ATOM 391 O TRP A 29 -3.836 -15.256 -14.329 1.00 33.13 O ATOM 392 CB TRP A 29 -2.388 -13.448 -16.407 1.00 30.25 C ATOM 393 CG TRP A 29 -1.479 -14.548 -16.866 1.00 51.44 C ATOM 394 CD1 TRP A 29 -0.126 -14.476 -17.033 1.00 45.04 C ATOM 395 CD2 TRP A 29 -1.859 -15.882 -17.220 1.00 40.10 C ATOM 396 NE1 TRP A 29 0.359 -15.686 -17.470 1.00 11.44 N ATOM 397 CE2 TRP A 29 -0.684 -16.565 -17.591 1.00 52.01 C ATOM 398 CE3 TRP A 29 -3.076 -16.567 -17.257 1.00 54.23 C ATOM 399 CZ2 TRP A 29 -0.694 -17.897 -17.995 1.00 33.53 C ATOM 400 CZ3 TRP A 29 -3.085 -17.889 -17.658 1.00 62.25 C ATOM 401 CH2 TRP A 29 -1.900 -18.544 -18.022 1.00 53.50 C ATOM 0 H TRP A 29 -0.424 -13.010 -14.801 1.00 64.24 H new ATOM 0 HA TRP A 29 -3.342 -12.711 -14.628 1.00 64.20 H new ATOM 0 HB2 TRP A 29 -3.382 -13.611 -16.823 1.00 30.25 H new ATOM 0 HB3 TRP A 29 -2.028 -12.499 -16.804 1.00 30.25 H new ATOM 0 HD1 TRP A 29 0.475 -13.598 -16.849 1.00 45.04 H new ATOM 0 HE1 TRP A 29 1.337 -15.895 -17.671 1.00 11.44 H new ATOM 0 HE3 TRP A 29 -3.994 -16.072 -16.977 1.00 54.23 H new ATOM 0 HZ2 TRP A 29 0.218 -18.402 -18.277 1.00 33.53 H new ATOM 0 HZ3 TRP A 29 -4.021 -18.427 -17.692 1.00 62.25 H new ATOM 0 HH2 TRP A 29 -1.939 -19.579 -18.329 1.00 53.50 H new ATOM 412 N LEU A 30 -1.671 -15.308 -13.721 1.00 45.30 N ATOM 413 CA LEU A 30 -1.760 -16.630 -13.110 1.00 50.44 C ATOM 414 C LEU A 30 -1.792 -16.526 -11.589 1.00 3.40 C ATOM 415 O LEU A 30 -1.813 -17.537 -10.886 1.00 53.15 O ATOM 416 CB LEU A 30 -0.579 -17.497 -13.549 1.00 42.22 C ATOM 417 CG LEU A 30 -0.758 -19.007 -13.387 1.00 42.30 C ATOM 418 CD1 LEU A 30 -1.894 -19.507 -14.265 1.00 53.21 C ATOM 419 CD2 LEU A 30 0.536 -19.736 -13.719 1.00 51.23 C ATOM 0 H LEU A 30 -0.744 -14.884 -13.676 1.00 45.30 H new ATOM 0 HA LEU A 30 -2.688 -17.095 -13.443 1.00 50.44 H new ATOM 0 HB2 LEU A 30 -0.370 -17.287 -14.598 1.00 42.22 H new ATOM 0 HB3 LEU A 30 0.300 -17.193 -12.981 1.00 42.22 H new ATOM 0 HG LEU A 30 -1.012 -19.214 -12.347 1.00 42.30 H new ATOM 0 HD11 LEU A 30 -2.006 -20.584 -14.136 1.00 53.21 H new ATOM 0 HD12 LEU A 30 -2.821 -19.009 -13.980 1.00 53.21 H new ATOM 0 HD13 LEU A 30 -1.671 -19.288 -15.309 1.00 53.21 H new ATOM 0 HD21 LEU A 30 0.390 -20.809 -13.598 1.00 51.23 H new ATOM 0 HD22 LEU A 30 0.820 -19.522 -14.749 1.00 51.23 H new ATOM 0 HD23 LEU A 30 1.326 -19.399 -13.047 1.00 51.23 H new ATOM 431 N THR A 31 -1.797 -15.295 -11.085 1.00 24.42 N ATOM 432 CA THR A 31 -1.827 -15.059 -9.647 1.00 40.31 C ATOM 433 C THR A 31 -3.258 -14.903 -9.146 1.00 30.03 C ATOM 434 O THR A 31 -3.536 -15.098 -7.962 1.00 63.12 O ATOM 435 CB THR A 31 -1.022 -13.801 -9.268 1.00 34.13 C ATOM 436 OG1 THR A 31 -1.082 -13.590 -7.853 1.00 2.03 O ATOM 437 CG2 THR A 31 -1.560 -12.576 -9.991 1.00 53.14 C ATOM 0 H THR A 31 -1.781 -14.447 -11.652 1.00 24.42 H new ATOM 0 HA THR A 31 -1.372 -15.929 -9.174 1.00 40.31 H new ATOM 0 HB THR A 31 0.014 -13.955 -9.569 1.00 34.13 H new ATOM 0 HG1 THR A 31 -0.567 -12.790 -7.619 1.00 2.03 H new ATOM 0 HG21 THR A 31 -0.976 -11.700 -9.708 1.00 53.14 H new ATOM 0 HG22 THR A 31 -1.487 -12.728 -11.068 1.00 53.14 H new ATOM 0 HG23 THR A 31 -2.603 -12.421 -9.716 1.00 53.14 H new ATOM 445 N ARG A 32 -4.163 -14.551 -10.053 1.00 71.30 N ATOM 446 CA ARG A 32 -5.566 -14.369 -9.702 1.00 33.12 C ATOM 447 C ARG A 32 -6.449 -15.357 -10.459 1.00 50.43 C ATOM 448 O ARG A 32 -7.531 -15.720 -9.997 1.00 13.03 O ATOM 449 CB ARG A 32 -6.008 -12.936 -10.006 1.00 33.43 C ATOM 450 CG ARG A 32 -5.158 -11.879 -9.322 1.00 1.44 C ATOM 451 CD ARG A 32 -5.834 -11.346 -8.068 1.00 5.03 C ATOM 452 NE ARG A 32 -6.241 -9.951 -8.216 1.00 33.51 N ATOM 453 CZ ARG A 32 -6.625 -9.186 -7.200 1.00 63.02 C ATOM 454 NH1 ARG A 32 -6.652 -9.677 -5.969 1.00 71.20 N ATOM 455 NH2 ARG A 32 -6.981 -7.926 -7.415 1.00 73.11 N ATOM 0 H ARG A 32 -3.950 -14.386 -11.037 1.00 71.30 H new ATOM 0 HA ARG A 32 -5.675 -14.557 -8.634 1.00 33.12 H new ATOM 0 HB2 ARG A 32 -5.975 -12.775 -11.084 1.00 33.43 H new ATOM 0 HB3 ARG A 32 -7.046 -12.812 -9.697 1.00 33.43 H new ATOM 0 HG2 ARG A 32 -4.188 -12.303 -9.062 1.00 1.44 H new ATOM 0 HG3 ARG A 32 -4.971 -11.057 -10.013 1.00 1.44 H new ATOM 0 HD2 ARG A 32 -6.708 -11.956 -7.840 1.00 5.03 H new ATOM 0 HD3 ARG A 32 -5.152 -11.437 -7.222 1.00 5.03 H new ATOM 0 HE ARG A 32 -6.230 -9.542 -9.150 1.00 33.51 H new ATOM 0 HH11 ARG A 32 -6.377 -10.645 -5.800 1.00 71.20 H new ATOM 0 HH12 ARG A 32 -6.947 -9.087 -5.191 1.00 71.20 H new ATOM 0 HH21 ARG A 32 -6.960 -7.544 -8.361 1.00 73.11 H new ATOM 0 HH22 ARG A 32 -7.276 -7.339 -6.635 1.00 73.11 H new ATOM 469 N LEU A 33 -5.980 -15.787 -11.625 1.00 54.15 N ATOM 470 CA LEU A 33 -6.727 -16.732 -12.448 1.00 70.42 C ATOM 471 C LEU A 33 -7.140 -17.955 -11.634 1.00 51.54 C ATOM 472 O LEU A 33 -8.312 -18.334 -11.615 1.00 1.32 O ATOM 473 CB LEU A 33 -5.887 -17.166 -13.651 1.00 31.32 C ATOM 474 CG LEU A 33 -6.321 -18.460 -14.340 1.00 64.53 C ATOM 475 CD1 LEU A 33 -7.774 -18.370 -14.779 1.00 62.53 C ATOM 476 CD2 LEU A 33 -5.420 -18.759 -15.530 1.00 4.42 C ATOM 0 H LEU A 33 -5.086 -15.497 -12.022 1.00 54.15 H new ATOM 0 HA LEU A 33 -7.629 -16.233 -12.803 1.00 70.42 H new ATOM 0 HB2 LEU A 33 -5.902 -16.363 -14.388 1.00 31.32 H new ATOM 0 HB3 LEU A 33 -4.853 -17.281 -13.325 1.00 31.32 H new ATOM 0 HG LEU A 33 -6.229 -19.278 -13.625 1.00 64.53 H new ATOM 0 HD11 LEU A 33 -8.065 -19.300 -15.267 1.00 62.53 H new ATOM 0 HD12 LEU A 33 -8.408 -18.204 -13.908 1.00 62.53 H new ATOM 0 HD13 LEU A 33 -7.893 -17.541 -15.477 1.00 62.53 H new ATOM 0 HD21 LEU A 33 -5.744 -19.683 -16.008 1.00 4.42 H new ATOM 0 HD22 LEU A 33 -5.480 -17.940 -16.246 1.00 4.42 H new ATOM 0 HD23 LEU A 33 -4.391 -18.868 -15.189 1.00 4.42 H new ATOM 488 N LEU A 34 -6.171 -18.566 -10.962 1.00 72.11 N ATOM 489 CA LEU A 34 -6.434 -19.745 -10.144 1.00 11.23 C ATOM 490 C LEU A 34 -7.428 -19.425 -9.032 1.00 31.02 C ATOM 491 O LEU A 34 -8.368 -20.182 -8.791 1.00 52.20 O ATOM 492 CB LEU A 34 -5.131 -20.273 -9.542 1.00 22.11 C ATOM 493 CG LEU A 34 -4.197 -21.008 -10.504 1.00 4.12 C ATOM 494 CD1 LEU A 34 -4.947 -22.106 -11.242 1.00 24.13 C ATOM 495 CD2 LEU A 34 -3.571 -20.032 -11.490 1.00 1.15 C ATOM 0 H LEU A 34 -5.196 -18.265 -10.967 1.00 72.11 H new ATOM 0 HA LEU A 34 -6.868 -20.512 -10.785 1.00 11.23 H new ATOM 0 HB2 LEU A 34 -4.587 -19.433 -9.110 1.00 22.11 H new ATOM 0 HB3 LEU A 34 -5.380 -20.947 -8.722 1.00 22.11 H new ATOM 0 HG LEU A 34 -3.398 -21.469 -9.923 1.00 4.12 H new ATOM 0 HD11 LEU A 34 -4.266 -22.618 -11.922 1.00 24.13 H new ATOM 0 HD12 LEU A 34 -5.347 -22.821 -10.522 1.00 24.13 H new ATOM 0 HD13 LEU A 34 -5.767 -21.667 -11.811 1.00 24.13 H new ATOM 0 HD21 LEU A 34 -2.909 -20.573 -12.167 1.00 1.15 H new ATOM 0 HD22 LEU A 34 -4.357 -19.542 -12.065 1.00 1.15 H new ATOM 0 HD23 LEU A 34 -2.998 -19.282 -10.945 1.00 1.15 H new ATOM 507 N GLN A 35 -7.214 -18.299 -8.360 1.00 0.44 N ATOM 508 CA GLN A 35 -8.093 -17.879 -7.274 1.00 45.54 C ATOM 509 C GLN A 35 -9.548 -17.859 -7.729 1.00 52.30 C ATOM 510 O GLN A 35 -10.450 -18.235 -6.979 1.00 43.02 O ATOM 511 CB GLN A 35 -7.685 -16.494 -6.767 1.00 54.02 C ATOM 512 CG GLN A 35 -6.283 -16.449 -6.182 1.00 40.53 C ATOM 513 CD GLN A 35 -5.897 -15.064 -5.700 1.00 25.33 C ATOM 514 OE1 GLN A 35 -6.223 -14.060 -6.333 1.00 2.11 O ATOM 515 NE2 GLN A 35 -5.197 -15.004 -4.572 1.00 54.14 N ATOM 0 H GLN A 35 -6.440 -17.661 -8.548 1.00 0.44 H new ATOM 0 HA GLN A 35 -7.996 -18.599 -6.461 1.00 45.54 H new ATOM 0 HB2 GLN A 35 -7.750 -15.782 -7.590 1.00 54.02 H new ATOM 0 HB3 GLN A 35 -8.397 -16.170 -6.008 1.00 54.02 H new ATOM 0 HG2 GLN A 35 -6.218 -17.151 -5.350 1.00 40.53 H new ATOM 0 HG3 GLN A 35 -5.568 -16.780 -6.935 1.00 40.53 H new ATOM 0 HE21 GLN A 35 -4.948 -15.862 -4.080 1.00 54.14 H new ATOM 0 HE22 GLN A 35 -4.908 -14.100 -4.198 1.00 54.14 H new ATOM 524 N THR A 36 -9.772 -17.417 -8.963 1.00 2.32 N ATOM 525 CA THR A 36 -11.118 -17.346 -9.517 1.00 62.12 C ATOM 526 C THR A 36 -11.642 -18.734 -9.866 1.00 71.34 C ATOM 527 O THR A 36 -12.851 -18.949 -9.955 1.00 12.21 O ATOM 528 CB THR A 36 -11.161 -16.462 -10.777 1.00 43.45 C ATOM 529 OG1 THR A 36 -10.605 -17.169 -11.892 1.00 2.14 O ATOM 530 CG2 THR A 36 -10.392 -15.168 -10.557 1.00 4.31 C ATOM 0 H THR A 36 -9.038 -17.103 -9.598 1.00 2.32 H new ATOM 0 HA THR A 36 -11.753 -16.903 -8.750 1.00 62.12 H new ATOM 0 HB THR A 36 -12.202 -16.217 -10.986 1.00 43.45 H new ATOM 0 HG1 THR A 36 -9.663 -17.374 -11.713 1.00 2.14 H new ATOM 0 HG21 THR A 36 -10.437 -14.560 -11.461 1.00 4.31 H new ATOM 0 HG22 THR A 36 -10.836 -14.618 -9.727 1.00 4.31 H new ATOM 0 HG23 THR A 36 -9.352 -15.398 -10.325 1.00 4.31 H new ATOM 538 N LYS A 37 -10.725 -19.676 -10.064 1.00 12.55 N ATOM 539 CA LYS A 37 -11.094 -21.045 -10.401 1.00 73.13 C ATOM 540 C LYS A 37 -10.961 -21.960 -9.188 1.00 2.42 C ATOM 541 O LYS A 37 -10.982 -23.183 -9.316 1.00 4.12 O ATOM 542 CB LYS A 37 -10.218 -21.564 -11.543 1.00 70.44 C ATOM 543 CG LYS A 37 -10.279 -20.706 -12.795 1.00 63.11 C ATOM 544 CD LYS A 37 -11.708 -20.523 -13.277 1.00 11.22 C ATOM 545 CE LYS A 37 -11.757 -20.167 -14.755 1.00 21.11 C ATOM 546 NZ LYS A 37 -13.115 -19.724 -15.174 1.00 75.53 N ATOM 0 H LYS A 37 -9.720 -19.515 -9.997 1.00 12.55 H new ATOM 0 HA LYS A 37 -12.136 -21.045 -10.721 1.00 73.13 H new ATOM 0 HB2 LYS A 37 -9.185 -21.619 -11.201 1.00 70.44 H new ATOM 0 HB3 LYS A 37 -10.526 -22.579 -11.793 1.00 70.44 H new ATOM 0 HG2 LYS A 37 -9.835 -19.731 -12.591 1.00 63.11 H new ATOM 0 HG3 LYS A 37 -9.685 -21.168 -13.583 1.00 63.11 H new ATOM 0 HD2 LYS A 37 -12.272 -21.440 -13.104 1.00 11.22 H new ATOM 0 HD3 LYS A 37 -12.191 -19.737 -12.696 1.00 11.22 H new ATOM 0 HE2 LYS A 37 -11.037 -19.375 -14.962 1.00 21.11 H new ATOM 0 HE3 LYS A 37 -11.458 -21.032 -15.347 1.00 21.11 H new ATOM 0 HZ1 LYS A 37 -13.107 -19.491 -16.187 1.00 75.53 H new ATOM 0 HZ2 LYS A 37 -13.798 -20.488 -15.000 1.00 75.53 H new ATOM 0 HZ3 LYS A 37 -13.390 -18.883 -14.627 1.00 75.53 H new ATOM 560 N ASN A 38 -10.825 -21.357 -8.011 1.00 33.53 N ATOM 561 CA ASN A 38 -10.689 -22.119 -6.774 1.00 55.51 C ATOM 562 C ASN A 38 -9.457 -23.017 -6.821 1.00 0.55 C ATOM 563 O ASN A 38 -9.504 -24.175 -6.407 1.00 75.43 O ATOM 564 CB ASN A 38 -11.941 -22.964 -6.531 1.00 14.21 C ATOM 565 CG ASN A 38 -12.091 -23.371 -5.078 1.00 0.23 C ATOM 566 OD1 ASN A 38 -11.874 -22.567 -4.171 1.00 1.11 O ATOM 567 ND2 ASN A 38 -12.463 -24.625 -4.850 1.00 55.10 N ATOM 0 H ASN A 38 -10.806 -20.345 -7.888 1.00 33.53 H new ATOM 0 HA ASN A 38 -10.570 -21.413 -5.952 1.00 55.51 H new ATOM 0 HB2 ASN A 38 -12.822 -22.401 -6.841 1.00 14.21 H new ATOM 0 HB3 ASN A 38 -11.899 -23.858 -7.153 1.00 14.21 H new ATOM 0 HD21 ASN A 38 -12.580 -24.956 -3.892 1.00 55.10 H new ATOM 0 HD22 ASN A 38 -12.632 -25.257 -5.632 1.00 55.10 H new ATOM 574 N TYR A 39 -8.355 -22.473 -7.325 1.00 60.44 N ATOM 575 CA TYR A 39 -7.110 -23.225 -7.428 1.00 20.43 C ATOM 576 C TYR A 39 -7.310 -24.503 -8.238 1.00 0.42 C ATOM 577 O TYR A 39 -7.063 -25.606 -7.750 1.00 14.32 O ATOM 578 CB TYR A 39 -6.582 -23.570 -6.034 1.00 44.41 C ATOM 579 CG TYR A 39 -6.699 -22.433 -5.044 1.00 42.33 C ATOM 580 CD1 TYR A 39 -6.149 -21.187 -5.319 1.00 5.14 C ATOM 581 CD2 TYR A 39 -7.361 -22.604 -3.835 1.00 20.43 C ATOM 582 CE1 TYR A 39 -6.253 -20.146 -4.417 1.00 4.23 C ATOM 583 CE2 TYR A 39 -7.471 -21.568 -2.927 1.00 72.44 C ATOM 584 CZ TYR A 39 -6.915 -20.341 -3.223 1.00 30.33 C ATOM 585 OH TYR A 39 -7.022 -19.306 -2.322 1.00 71.33 O ATOM 0 H TYR A 39 -8.298 -21.514 -7.669 1.00 60.44 H new ATOM 0 HA TYR A 39 -6.380 -22.601 -7.943 1.00 20.43 H new ATOM 0 HB2 TYR A 39 -7.128 -24.432 -5.651 1.00 44.41 H new ATOM 0 HB3 TYR A 39 -5.536 -23.865 -6.114 1.00 44.41 H new ATOM 0 HD1 TYR A 39 -5.631 -21.030 -6.254 1.00 5.14 H new ATOM 0 HD2 TYR A 39 -7.798 -23.564 -3.600 1.00 20.43 H new ATOM 0 HE1 TYR A 39 -5.818 -19.184 -4.646 1.00 4.23 H new ATOM 0 HE2 TYR A 39 -7.989 -21.718 -1.991 1.00 72.44 H new ATOM 0 HH TYR A 39 -7.519 -19.609 -1.533 1.00 71.33 H new ATOM 595 N ASP A 40 -7.758 -24.344 -9.478 1.00 60.23 N ATOM 596 CA ASP A 40 -7.990 -25.483 -10.359 1.00 31.43 C ATOM 597 C ASP A 40 -6.972 -25.509 -11.495 1.00 12.43 C ATOM 598 O ASP A 40 -6.475 -24.465 -11.918 1.00 43.14 O ATOM 599 CB ASP A 40 -9.408 -25.434 -10.929 1.00 54.42 C ATOM 600 CG ASP A 40 -10.355 -26.375 -10.210 1.00 41.42 C ATOM 601 OD1 ASP A 40 -10.112 -26.665 -9.021 1.00 22.35 O ATOM 602 OD2 ASP A 40 -11.338 -26.821 -10.838 1.00 35.15 O ATOM 0 H ASP A 40 -7.968 -23.438 -9.896 1.00 60.23 H new ATOM 0 HA ASP A 40 -7.874 -26.394 -9.772 1.00 31.43 H new ATOM 0 HB2 ASP A 40 -9.790 -24.415 -10.858 1.00 54.42 H new ATOM 0 HB3 ASP A 40 -9.380 -25.691 -11.988 1.00 54.42 H new ATOM 607 N ILE A 41 -6.667 -26.706 -11.982 1.00 63.30 N ATOM 608 CA ILE A 41 -5.708 -26.867 -13.068 1.00 52.34 C ATOM 609 C ILE A 41 -6.418 -27.114 -14.395 1.00 43.24 C ATOM 610 O ILE A 41 -5.907 -26.764 -15.459 1.00 33.12 O ATOM 611 CB ILE A 41 -4.736 -28.029 -12.795 1.00 32.54 C ATOM 612 CG1 ILE A 41 -4.361 -28.071 -11.312 1.00 4.51 C ATOM 613 CG2 ILE A 41 -3.491 -27.894 -13.658 1.00 52.34 C ATOM 614 CD1 ILE A 41 -3.741 -26.785 -10.810 1.00 32.14 C ATOM 0 H ILE A 41 -7.070 -27.579 -11.642 1.00 63.30 H new ATOM 0 HA ILE A 41 -5.141 -25.938 -13.128 1.00 52.34 H new ATOM 0 HB ILE A 41 -5.232 -28.965 -13.052 1.00 32.54 H new ATOM 0 HG12 ILE A 41 -5.254 -28.288 -10.726 1.00 4.51 H new ATOM 0 HG13 ILE A 41 -3.663 -28.891 -11.145 1.00 4.51 H new ATOM 0 HG21 ILE A 41 -2.814 -28.723 -13.453 1.00 52.34 H new ATOM 0 HG22 ILE A 41 -3.774 -27.909 -14.710 1.00 52.34 H new ATOM 0 HG23 ILE A 41 -2.991 -26.953 -13.430 1.00 52.34 H new ATOM 0 HD11 ILE A 41 -3.500 -26.886 -9.752 1.00 32.14 H new ATOM 0 HD12 ILE A 41 -2.830 -26.577 -11.371 1.00 32.14 H new ATOM 0 HD13 ILE A 41 -4.446 -25.964 -10.945 1.00 32.14 H new ATOM 626 N GLY A 42 -7.600 -27.718 -14.325 1.00 31.02 N ATOM 627 CA GLY A 42 -8.362 -28.000 -15.527 1.00 61.13 C ATOM 628 C GLY A 42 -9.186 -26.812 -15.984 1.00 22.44 C ATOM 629 O GLY A 42 -9.595 -26.741 -17.142 1.00 13.11 O ATOM 0 H GLY A 42 -8.044 -28.017 -13.457 1.00 31.02 H new ATOM 0 HA2 GLY A 42 -7.680 -28.294 -16.325 1.00 61.13 H new ATOM 0 HA3 GLY A 42 -9.023 -28.848 -15.344 1.00 61.13 H new ATOM 633 N ALA A 43 -9.431 -25.878 -15.071 1.00 21.45 N ATOM 634 CA ALA A 43 -10.211 -24.688 -15.386 1.00 31.24 C ATOM 635 C ALA A 43 -9.309 -23.544 -15.837 1.00 34.22 C ATOM 636 O ALA A 43 -9.698 -22.726 -16.670 1.00 73.40 O ATOM 637 CB ALA A 43 -11.040 -24.266 -14.181 1.00 62.23 C ATOM 0 H ALA A 43 -9.100 -25.923 -14.107 1.00 21.45 H new ATOM 0 HA ALA A 43 -10.883 -24.932 -16.209 1.00 31.24 H new ATOM 0 HB1 ALA A 43 -11.618 -23.376 -14.430 1.00 62.23 H new ATOM 0 HB2 ALA A 43 -11.718 -25.073 -13.905 1.00 62.23 H new ATOM 0 HB3 ALA A 43 -10.378 -24.046 -13.343 1.00 62.23 H new ATOM 643 N ALA A 44 -8.104 -23.493 -15.280 1.00 44.43 N ATOM 644 CA ALA A 44 -7.146 -22.449 -15.627 1.00 34.42 C ATOM 645 C ALA A 44 -6.457 -22.755 -16.952 1.00 61.11 C ATOM 646 O ALA A 44 -5.867 -21.871 -17.575 1.00 62.41 O ATOM 647 CB ALA A 44 -6.116 -22.289 -14.518 1.00 54.04 C ATOM 0 H ALA A 44 -7.767 -24.161 -14.587 1.00 44.43 H new ATOM 0 HA ALA A 44 -7.691 -21.512 -15.739 1.00 34.42 H new ATOM 0 HB1 ALA A 44 -5.407 -21.507 -14.790 1.00 54.04 H new ATOM 0 HB2 ALA A 44 -6.619 -22.016 -13.590 1.00 54.04 H new ATOM 0 HB3 ALA A 44 -5.583 -23.229 -14.378 1.00 54.04 H new ATOM 653 N LEU A 45 -6.534 -24.011 -17.378 1.00 33.12 N ATOM 654 CA LEU A 45 -5.917 -24.434 -18.630 1.00 43.10 C ATOM 655 C LEU A 45 -6.728 -23.950 -19.828 1.00 23.12 C ATOM 656 O LEU A 45 -6.215 -23.866 -20.944 1.00 11.30 O ATOM 657 CB LEU A 45 -5.788 -25.958 -18.669 1.00 3.41 C ATOM 658 CG LEU A 45 -4.535 -26.542 -18.015 1.00 34.24 C ATOM 659 CD1 LEU A 45 -4.695 -28.039 -17.799 1.00 32.13 C ATOM 660 CD2 LEU A 45 -3.306 -26.252 -18.863 1.00 23.12 C ATOM 0 H LEU A 45 -7.018 -24.754 -16.874 1.00 33.12 H new ATOM 0 HA LEU A 45 -4.923 -23.990 -18.684 1.00 43.10 H new ATOM 0 HB2 LEU A 45 -6.663 -26.389 -18.182 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -5.813 -26.278 -19.711 1.00 3.41 H new ATOM 0 HG LEU A 45 -4.401 -26.067 -17.043 1.00 34.24 H new ATOM 0 HD11 LEU A 45 -3.794 -28.438 -17.333 1.00 32.13 H new ATOM 0 HD12 LEU A 45 -5.551 -28.224 -17.150 1.00 32.13 H new ATOM 0 HD13 LEU A 45 -4.855 -28.530 -18.759 1.00 32.13 H new ATOM 0 HD21 LEU A 45 -2.424 -26.675 -18.382 1.00 23.12 H new ATOM 0 HD22 LEU A 45 -3.431 -26.699 -19.849 1.00 23.12 H new ATOM 0 HD23 LEU A 45 -3.181 -25.174 -18.966 1.00 23.12 H new ATOM 672 N ASP A 46 -7.995 -23.632 -19.588 1.00 1.42 N ATOM 673 CA ASP A 46 -8.876 -23.153 -20.646 1.00 55.41 C ATOM 674 C ASP A 46 -9.207 -21.676 -20.451 1.00 71.12 C ATOM 675 O ASP A 46 -10.238 -21.192 -20.920 1.00 2.10 O ATOM 676 CB ASP A 46 -10.165 -23.977 -20.678 1.00 44.51 C ATOM 677 CG ASP A 46 -10.471 -24.519 -22.060 1.00 40.33 C ATOM 678 OD1 ASP A 46 -10.288 -23.772 -23.044 1.00 40.20 O ATOM 679 OD2 ASP A 46 -10.895 -25.690 -22.158 1.00 44.43 O ATOM 0 H ASP A 46 -8.435 -23.697 -18.670 1.00 1.42 H new ATOM 0 HA ASP A 46 -8.356 -23.268 -21.597 1.00 55.41 H new ATOM 0 HB2 ASP A 46 -10.080 -24.807 -19.976 1.00 44.51 H new ATOM 0 HB3 ASP A 46 -10.997 -23.358 -20.341 1.00 44.51 H new ATOM 684 N THR A 47 -8.326 -20.964 -19.755 1.00 60.40 N ATOM 685 CA THR A 47 -8.525 -19.544 -19.496 1.00 22.12 C ATOM 686 C THR A 47 -7.489 -18.701 -20.230 1.00 4.11 C ATOM 687 O THR A 47 -7.306 -17.522 -19.926 1.00 54.50 O ATOM 688 CB THR A 47 -8.450 -19.232 -17.989 1.00 70.12 C ATOM 689 OG1 THR A 47 -9.111 -20.260 -17.243 1.00 0.13 O ATOM 690 CG2 THR A 47 -9.088 -17.886 -17.683 1.00 54.31 C ATOM 0 H THR A 47 -7.467 -21.348 -19.361 1.00 60.40 H new ATOM 0 HA THR A 47 -9.520 -19.292 -19.863 1.00 22.12 H new ATOM 0 HB THR A 47 -7.400 -19.192 -17.700 1.00 70.12 H new ATOM 0 HG1 THR A 47 -8.721 -21.130 -17.468 1.00 0.13 H new ATOM 0 HG21 THR A 47 -9.023 -17.687 -16.613 1.00 54.31 H new ATOM 0 HG22 THR A 47 -8.564 -17.102 -18.230 1.00 54.31 H new ATOM 0 HG23 THR A 47 -10.135 -17.902 -17.986 1.00 54.31 H new ATOM 698 N ILE A 48 -6.813 -19.312 -21.197 1.00 22.01 N ATOM 699 CA ILE A 48 -5.796 -18.616 -21.975 1.00 40.23 C ATOM 700 C ILE A 48 -6.157 -18.594 -23.457 1.00 23.22 C ATOM 701 O ILE A 48 -5.810 -17.657 -24.176 1.00 33.52 O ATOM 702 CB ILE A 48 -4.412 -19.269 -21.805 1.00 45.30 C ATOM 703 CG1 ILE A 48 -4.313 -19.959 -20.443 1.00 72.32 C ATOM 704 CG2 ILE A 48 -3.313 -18.228 -21.958 1.00 4.23 C ATOM 705 CD1 ILE A 48 -4.770 -21.401 -20.462 1.00 73.15 C ATOM 0 H ILE A 48 -6.951 -20.288 -21.460 1.00 22.01 H new ATOM 0 HA ILE A 48 -5.755 -17.594 -21.598 1.00 40.23 H new ATOM 0 HB ILE A 48 -4.284 -20.022 -22.583 1.00 45.30 H new ATOM 0 HG12 ILE A 48 -3.280 -19.918 -20.098 1.00 72.32 H new ATOM 0 HG13 ILE A 48 -4.912 -19.406 -19.720 1.00 72.32 H new ATOM 0 HG21 ILE A 48 -2.341 -18.705 -21.835 1.00 4.23 H new ATOM 0 HG22 ILE A 48 -3.374 -17.778 -22.949 1.00 4.23 H new ATOM 0 HG23 ILE A 48 -3.436 -17.455 -21.200 1.00 4.23 H new ATOM 0 HD11 ILE A 48 -4.672 -21.827 -19.463 1.00 73.15 H new ATOM 0 HD12 ILE A 48 -5.813 -21.448 -20.776 1.00 73.15 H new ATOM 0 HD13 ILE A 48 -4.155 -21.968 -21.160 1.00 73.15 H new ATOM 717 N GLN A 49 -6.856 -19.632 -23.905 1.00 41.21 N ATOM 718 CA GLN A 49 -7.265 -19.731 -25.301 1.00 43.02 C ATOM 719 C GLN A 49 -7.964 -18.454 -25.755 1.00 74.35 C ATOM 720 O GLN A 49 -7.687 -17.933 -26.836 1.00 72.42 O ATOM 721 CB GLN A 49 -8.191 -20.932 -25.499 1.00 63.33 C ATOM 722 CG GLN A 49 -7.645 -22.224 -24.913 1.00 31.23 C ATOM 723 CD GLN A 49 -6.240 -22.535 -25.390 1.00 52.52 C ATOM 724 OE1 GLN A 49 -5.258 -22.166 -24.746 1.00 24.10 O ATOM 725 NE2 GLN A 49 -6.137 -23.216 -26.525 1.00 54.23 N ATOM 0 H GLN A 49 -7.151 -20.415 -23.322 1.00 41.21 H new ATOM 0 HA GLN A 49 -6.370 -19.868 -25.907 1.00 43.02 H new ATOM 0 HB2 GLN A 49 -9.157 -20.715 -25.042 1.00 63.33 H new ATOM 0 HB3 GLN A 49 -8.367 -21.072 -26.565 1.00 63.33 H new ATOM 0 HG2 GLN A 49 -7.648 -22.155 -23.825 1.00 31.23 H new ATOM 0 HG3 GLN A 49 -8.306 -23.048 -25.182 1.00 31.23 H new ATOM 0 HE21 GLN A 49 -6.978 -23.502 -27.026 1.00 54.23 H new ATOM 0 HE22 GLN A 49 -5.217 -23.453 -26.896 1.00 54.23 H new ATOM 734 N TYR A 50 -8.872 -17.955 -24.924 1.00 74.51 N ATOM 735 CA TYR A 50 -9.614 -16.741 -25.242 1.00 11.03 C ATOM 736 C TYR A 50 -10.485 -16.311 -24.065 1.00 60.11 C ATOM 737 O TYR A 50 -11.183 -17.128 -23.464 1.00 53.53 O ATOM 738 CB TYR A 50 -10.483 -16.959 -26.481 1.00 54.33 C ATOM 739 CG TYR A 50 -11.691 -17.833 -26.228 1.00 63.02 C ATOM 740 CD1 TYR A 50 -12.883 -17.288 -25.767 1.00 22.22 C ATOM 741 CD2 TYR A 50 -11.639 -19.204 -26.449 1.00 53.34 C ATOM 742 CE1 TYR A 50 -13.988 -18.083 -25.533 1.00 74.14 C ATOM 743 CE2 TYR A 50 -12.740 -20.006 -26.220 1.00 53.03 C ATOM 744 CZ TYR A 50 -13.912 -19.441 -25.762 1.00 73.21 C ATOM 745 OH TYR A 50 -15.011 -20.237 -25.531 1.00 63.23 O ATOM 0 H TYR A 50 -9.112 -18.373 -24.025 1.00 74.51 H new ATOM 0 HA TYR A 50 -8.894 -15.949 -25.447 1.00 11.03 H new ATOM 0 HB2 TYR A 50 -10.817 -15.991 -26.855 1.00 54.33 H new ATOM 0 HB3 TYR A 50 -9.876 -17.411 -27.265 1.00 54.33 H new ATOM 0 HD1 TYR A 50 -12.947 -16.225 -25.589 1.00 22.22 H new ATOM 0 HD2 TYR A 50 -10.722 -19.650 -26.806 1.00 53.34 H new ATOM 0 HE1 TYR A 50 -14.906 -17.644 -25.173 1.00 74.14 H new ATOM 0 HE2 TYR A 50 -12.684 -21.070 -26.399 1.00 53.03 H new ATOM 0 HH TYR A 50 -14.791 -21.168 -25.743 1.00 63.23 H new