USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -0.992 K(o=0.0036,f=-1) USER MOD Set 1.2: A 70 THR OG1 : rot 84:sc= 0.996 USER MOD Set 2.1: A 10 THR OG1 : rot 143:sc= 1.04 USER MOD Set 2.2: A 100 HIS : no HE2:sc= 0.752 K(o=1.8,f=-1.7) USER MOD Single : A 7 THR OG1 : rot 24:sc= 0.2 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.611 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.38! X(o=-2.4!,f=-2.3) USER MOD Single : A 34 GLN : amide:sc= 0.805 K(o=0.8,f=-0.11) USER MOD Single : A 37 GLN : amide:sc= -0.0175 X(o=-0.017,f=-0.06) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.858 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.24) USER MOD Single : A 65 ASN : amide:sc= -2.82! C(o=-2.8!,f=-5.5!) USER MOD Single : A 66 SER OG : rot -37:sc= 1.21 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.37) USER MOD Single : A 71 THR OG1 : rot 160:sc= -0.38 USER MOD Single : A 73 ASN : amide:sc= 0.96 K(o=0.96,f=-10!) USER MOD Single : A 74 ASN : amide:sc= 0.244 K(o=0.24,f=-1.2!) USER MOD Single : A 78 GLN : amide:sc= -0.291! C(o=-0.29!,f=-4.1!) USER MOD Single : A 81 GLN : amide:sc= -0.351 K(o=-0.35,f=-1) USER MOD Single : A 92 HIS : no HE2:sc= 0.625 K(o=0.62,f=-4.8!) USER MOD Single : A 93 SER OG : rot -160:sc= -0.072 USER MOD Single : A 99 MET CE :methyl 172:sc= -0.502 (180deg=-0.624) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -5.290 -9.015 2.846 1.00 0.31 N ATOM 63 CA THR A 7 -4.422 -7.950 3.262 1.00 33.03 C ATOM 64 C THR A 7 -4.614 -6.756 2.330 1.00 34.54 C ATOM 65 O THR A 7 -4.391 -6.852 1.121 1.00 43.55 O ATOM 66 CB THR A 7 -2.958 -8.423 3.190 1.00 13.05 C ATOM 67 OG1 THR A 7 -2.824 -9.640 3.941 1.00 4.01 O ATOM 68 CG2 THR A 7 -2.004 -7.370 3.750 1.00 61.23 C ATOM 0 HA THR A 7 -4.660 -7.661 4.286 1.00 33.03 H new ATOM 0 HB THR A 7 -2.698 -8.590 2.145 1.00 13.05 H new ATOM 0 HG1 THR A 7 -3.695 -10.084 4.003 1.00 4.01 H new ATOM 0 HG21 THR A 7 -0.979 -7.736 3.684 1.00 61.23 H new ATOM 0 HG22 THR A 7 -2.099 -6.450 3.173 1.00 61.23 H new ATOM 0 HG23 THR A 7 -2.252 -7.172 4.793 1.00 61.23 H new ATOM 76 N SER A 8 -5.075 -5.674 2.868 1.00 73.42 N ATOM 77 CA SER A 8 -5.277 -4.487 2.092 1.00 72.32 C ATOM 78 C SER A 8 -4.727 -3.296 2.846 1.00 5.21 C ATOM 79 O SER A 8 -4.862 -3.216 4.071 1.00 61.33 O ATOM 80 CB SER A 8 -6.767 -4.294 1.804 1.00 32.10 C ATOM 81 OG SER A 8 -7.315 -5.453 1.184 1.00 62.14 O ATOM 0 H SER A 8 -5.322 -5.585 3.854 1.00 73.42 H new ATOM 0 HA SER A 8 -4.753 -4.581 1.141 1.00 72.32 H new ATOM 0 HB2 SER A 8 -7.298 -4.087 2.733 1.00 32.10 H new ATOM 0 HB3 SER A 8 -6.908 -3.428 1.157 1.00 32.10 H new ATOM 0 HG SER A 8 -8.269 -5.311 1.009 1.00 62.14 H new ATOM 87 N VAL A 9 -4.063 -2.417 2.142 1.00 50.34 N ATOM 88 CA VAL A 9 -3.563 -1.215 2.736 1.00 72.23 C ATOM 89 C VAL A 9 -4.411 -0.083 2.231 1.00 4.51 C ATOM 90 O VAL A 9 -4.367 0.271 1.044 1.00 21.41 O ATOM 91 CB VAL A 9 -2.092 -0.948 2.375 1.00 54.53 C ATOM 92 CG1 VAL A 9 -1.556 0.227 3.173 1.00 13.35 C ATOM 93 CG2 VAL A 9 -1.244 -2.181 2.598 1.00 72.10 C ATOM 0 H VAL A 9 -3.857 -2.517 1.148 1.00 50.34 H new ATOM 0 HA VAL A 9 -3.610 -1.311 3.821 1.00 72.23 H new ATOM 0 HB VAL A 9 -2.042 -0.698 1.315 1.00 54.53 H new ATOM 0 HG11 VAL A 9 -0.514 0.403 2.906 1.00 13.35 H new ATOM 0 HG12 VAL A 9 -2.143 1.117 2.949 1.00 13.35 H new ATOM 0 HG13 VAL A 9 -1.625 0.005 4.238 1.00 13.35 H new ATOM 0 HG21 VAL A 9 -0.209 -1.963 2.335 1.00 72.10 H new ATOM 0 HG22 VAL A 9 -1.298 -2.475 3.646 1.00 72.10 H new ATOM 0 HG23 VAL A 9 -1.614 -2.995 1.974 1.00 72.10 H new ATOM 103 N THR A 10 -5.183 0.439 3.096 1.00 52.33 N ATOM 104 CA THR A 10 -6.086 1.467 2.784 1.00 41.31 C ATOM 105 C THR A 10 -5.582 2.743 3.404 1.00 64.22 C ATOM 106 O THR A 10 -5.328 2.806 4.601 1.00 3.24 O ATOM 107 CB THR A 10 -7.485 1.125 3.330 1.00 1.11 C ATOM 108 OG1 THR A 10 -7.904 -0.158 2.815 1.00 12.41 O ATOM 109 CG2 THR A 10 -8.494 2.175 2.920 1.00 53.31 C ATOM 0 H THR A 10 -5.205 0.153 4.075 1.00 52.33 H new ATOM 0 HA THR A 10 -6.162 1.584 1.703 1.00 41.31 H new ATOM 0 HB THR A 10 -7.431 1.094 4.418 1.00 1.11 H new ATOM 0 HG1 THR A 10 -8.399 -0.643 3.508 1.00 12.41 H new ATOM 0 HG21 THR A 10 -9.474 1.912 3.317 1.00 53.31 H new ATOM 0 HG22 THR A 10 -8.191 3.145 3.315 1.00 53.31 H new ATOM 0 HG23 THR A 10 -8.545 2.226 1.832 1.00 53.31 H new ATOM 117 N LEU A 11 -5.377 3.720 2.599 1.00 30.14 N ATOM 118 CA LEU A 11 -4.946 4.982 3.072 1.00 11.13 C ATOM 119 C LEU A 11 -6.156 5.769 3.424 1.00 12.53 C ATOM 120 O LEU A 11 -7.083 5.873 2.630 1.00 41.11 O ATOM 121 CB LEU A 11 -4.175 5.728 2.010 1.00 12.52 C ATOM 122 CG LEU A 11 -3.042 4.993 1.350 1.00 13.13 C ATOM 123 CD1 LEU A 11 -2.347 5.904 0.348 1.00 73.11 C ATOM 124 CD2 LEU A 11 -2.048 4.457 2.367 1.00 34.35 C ATOM 0 H LEU A 11 -5.504 3.666 1.588 1.00 30.14 H new ATOM 0 HA LEU A 11 -4.292 4.840 3.933 1.00 11.13 H new ATOM 0 HB2 LEU A 11 -4.877 6.036 1.235 1.00 12.52 H new ATOM 0 HB3 LEU A 11 -3.774 6.638 2.457 1.00 12.52 H new ATOM 0 HG LEU A 11 -3.459 4.134 0.824 1.00 13.13 H new ATOM 0 HD11 LEU A 11 -1.527 5.365 -0.126 1.00 73.11 H new ATOM 0 HD12 LEU A 11 -3.061 6.220 -0.412 1.00 73.11 H new ATOM 0 HD13 LEU A 11 -1.954 6.780 0.864 1.00 73.11 H new ATOM 0 HD21 LEU A 11 -1.245 3.933 1.849 1.00 34.35 H new ATOM 0 HD22 LEU A 11 -1.631 5.285 2.939 1.00 34.35 H new ATOM 0 HD23 LEU A 11 -2.555 3.768 3.043 1.00 34.35 H new ATOM 136 N GLN A 12 -6.165 6.288 4.578 1.00 11.04 N ATOM 137 CA GLN A 12 -7.267 7.076 5.032 1.00 53.21 C ATOM 138 C GLN A 12 -6.865 8.515 4.895 1.00 33.33 C ATOM 139 O GLN A 12 -5.890 8.962 5.524 1.00 74.52 O ATOM 140 CB GLN A 12 -7.612 6.778 6.478 1.00 21.41 C ATOM 141 CG GLN A 12 -8.998 7.261 6.864 1.00 21.40 C ATOM 142 CD GLN A 12 -9.234 7.216 8.345 1.00 21.23 C ATOM 143 OE1 GLN A 12 -9.685 6.200 8.903 1.00 33.35 O ATOM 144 NE2 GLN A 12 -8.969 8.320 8.993 1.00 62.41 N ATOM 0 H GLN A 12 -5.409 6.188 5.255 1.00 11.04 H new ATOM 0 HA GLN A 12 -8.152 6.846 4.438 1.00 53.21 H new ATOM 0 HB2 GLN A 12 -7.546 5.703 6.648 1.00 21.41 H new ATOM 0 HB3 GLN A 12 -6.874 7.249 7.127 1.00 21.41 H new ATOM 0 HG2 GLN A 12 -9.134 8.283 6.509 1.00 21.40 H new ATOM 0 HG3 GLN A 12 -9.745 6.647 6.362 1.00 21.40 H new ATOM 0 HE21 GLN A 12 -8.600 9.129 8.493 1.00 62.41 H new ATOM 0 HE22 GLN A 12 -9.131 8.373 9.999 1.00 62.41 H new ATOM 153 N LEU A 13 -7.574 9.216 4.086 1.00 2.31 N ATOM 154 CA LEU A 13 -7.275 10.562 3.763 1.00 41.33 C ATOM 155 C LEU A 13 -8.004 11.468 4.695 1.00 33.05 C ATOM 156 O LEU A 13 -9.227 11.361 4.845 1.00 12.31 O ATOM 157 CB LEU A 13 -7.708 10.849 2.324 1.00 43.23 C ATOM 158 CG LEU A 13 -7.475 12.266 1.832 1.00 40.55 C ATOM 159 CD1 LEU A 13 -5.991 12.564 1.693 1.00 54.12 C ATOM 160 CD2 LEU A 13 -8.225 12.530 0.540 1.00 55.54 C ATOM 0 H LEU A 13 -8.405 8.856 3.616 1.00 2.31 H new ATOM 0 HA LEU A 13 -6.202 10.731 3.858 1.00 41.33 H new ATOM 0 HB2 LEU A 13 -7.179 10.164 1.662 1.00 43.23 H new ATOM 0 HB3 LEU A 13 -8.770 10.623 2.233 1.00 43.23 H new ATOM 0 HG LEU A 13 -7.873 12.949 2.582 1.00 40.55 H new ATOM 0 HD11 LEU A 13 -5.857 13.586 1.339 1.00 54.12 H new ATOM 0 HD12 LEU A 13 -5.504 12.449 2.662 1.00 54.12 H new ATOM 0 HD13 LEU A 13 -5.546 11.871 0.979 1.00 54.12 H new ATOM 0 HD21 LEU A 13 -8.038 13.553 0.213 1.00 55.54 H new ATOM 0 HD22 LEU A 13 -7.883 11.836 -0.228 1.00 55.54 H new ATOM 0 HD23 LEU A 13 -9.294 12.391 0.705 1.00 55.54 H new ATOM 172 N ASP A 14 -7.285 12.343 5.338 1.00 75.20 N ATOM 173 CA ASP A 14 -7.936 13.283 6.174 1.00 11.23 C ATOM 174 C ASP A 14 -8.108 14.533 5.390 1.00 43.35 C ATOM 175 O ASP A 14 -7.149 15.284 5.155 1.00 23.43 O ATOM 176 CB ASP A 14 -7.178 13.561 7.455 1.00 61.13 C ATOM 177 CG ASP A 14 -7.951 14.500 8.357 1.00 21.41 C ATOM 178 OD1 ASP A 14 -8.924 14.054 9.005 1.00 54.24 O ATOM 179 OD2 ASP A 14 -7.608 15.687 8.441 1.00 72.33 O ATOM 0 H ASP A 14 -6.269 12.418 5.295 1.00 75.20 H new ATOM 0 HA ASP A 14 -8.897 12.872 6.483 1.00 11.23 H new ATOM 0 HB2 ASP A 14 -6.988 12.624 7.979 1.00 61.13 H new ATOM 0 HB3 ASP A 14 -6.207 13.997 7.219 1.00 61.13 H new ATOM 184 N ASP A 15 -9.281 14.700 4.894 1.00 33.34 N ATOM 185 CA ASP A 15 -9.621 15.856 4.109 1.00 2.34 C ATOM 186 C ASP A 15 -10.865 16.516 4.681 1.00 0.03 C ATOM 187 O ASP A 15 -11.187 17.659 4.360 1.00 54.44 O ATOM 188 CB ASP A 15 -9.891 15.442 2.653 1.00 41.30 C ATOM 189 CG ASP A 15 -11.183 14.648 2.486 1.00 12.33 C ATOM 190 OD1 ASP A 15 -11.420 13.686 3.259 1.00 41.52 O ATOM 191 OD2 ASP A 15 -12.000 15.010 1.625 1.00 23.33 O ATOM 0 H ASP A 15 -10.047 14.038 5.017 1.00 33.34 H new ATOM 0 HA ASP A 15 -8.788 16.558 4.136 1.00 2.34 H new ATOM 0 HB2 ASP A 15 -9.938 16.335 2.030 1.00 41.30 H new ATOM 0 HB3 ASP A 15 -9.055 14.844 2.291 1.00 41.30 H new ATOM 196 N GLY A 16 -11.549 15.804 5.548 1.00 21.20 N ATOM 197 CA GLY A 16 -12.784 16.289 6.094 1.00 30.00 C ATOM 198 C GLY A 16 -13.917 15.369 5.726 1.00 21.55 C ATOM 199 O GLY A 16 -14.881 15.231 6.469 1.00 61.14 O ATOM 0 H GLY A 16 -11.265 14.885 5.887 1.00 21.20 H new ATOM 0 HA2 GLY A 16 -12.705 16.364 7.179 1.00 30.00 H new ATOM 0 HA3 GLY A 16 -12.986 17.293 5.719 1.00 30.00 H new ATOM 203 N SER A 17 -13.795 14.725 4.583 1.00 32.24 N ATOM 204 CA SER A 17 -14.784 13.789 4.132 1.00 51.14 C ATOM 205 C SER A 17 -14.407 12.413 4.657 1.00 21.31 C ATOM 206 O SER A 17 -15.269 11.607 5.009 1.00 61.21 O ATOM 207 CB SER A 17 -14.857 13.799 2.590 1.00 53.20 C ATOM 208 OG SER A 17 -15.894 12.955 2.086 1.00 23.32 O ATOM 0 H SER A 17 -13.006 14.841 3.947 1.00 32.24 H new ATOM 0 HA SER A 17 -15.770 14.062 4.508 1.00 51.14 H new ATOM 0 HB2 SER A 17 -15.023 14.819 2.244 1.00 53.20 H new ATOM 0 HB3 SER A 17 -13.899 13.476 2.182 1.00 53.20 H new ATOM 0 HG SER A 17 -15.902 12.996 1.107 1.00 23.32 H new ATOM 214 N GLY A 18 -13.114 12.156 4.724 1.00 22.25 N ATOM 215 CA GLY A 18 -12.634 10.906 5.238 1.00 51.13 C ATOM 216 C GLY A 18 -12.658 9.876 4.165 1.00 0.13 C ATOM 217 O GLY A 18 -13.343 8.856 4.272 1.00 4.20 O ATOM 0 H GLY A 18 -12.384 12.803 4.426 1.00 22.25 H new ATOM 0 HA2 GLY A 18 -11.619 11.024 5.618 1.00 51.13 H new ATOM 0 HA3 GLY A 18 -13.253 10.585 6.076 1.00 51.13 H new ATOM 221 N ARG A 19 -11.963 10.159 3.097 1.00 53.22 N ATOM 222 CA ARG A 19 -11.921 9.260 1.967 1.00 51.51 C ATOM 223 C ARG A 19 -10.832 8.257 2.144 1.00 53.53 C ATOM 224 O ARG A 19 -9.944 8.444 2.964 1.00 53.34 O ATOM 225 CB ARG A 19 -11.720 10.014 0.663 1.00 64.45 C ATOM 226 CG ARG A 19 -12.840 11.002 0.292 1.00 0.55 C ATOM 227 CD ARG A 19 -14.208 10.324 0.095 1.00 51.45 C ATOM 228 NE ARG A 19 -14.766 9.756 1.343 1.00 23.33 N ATOM 229 CZ ARG A 19 -15.562 8.681 1.407 1.00 61.11 C ATOM 230 NH1 ARG A 19 -15.955 8.082 0.292 1.00 34.30 N ATOM 231 NH2 ARG A 19 -15.967 8.213 2.593 1.00 4.33 N ATOM 0 H ARG A 19 -11.413 11.010 2.982 1.00 53.22 H new ATOM 0 HA ARG A 19 -12.881 8.746 1.918 1.00 51.51 H new ATOM 0 HB2 ARG A 19 -10.780 10.562 0.721 1.00 64.45 H new ATOM 0 HB3 ARG A 19 -11.617 9.289 -0.144 1.00 64.45 H new ATOM 0 HG2 ARG A 19 -12.925 11.755 1.075 1.00 0.55 H new ATOM 0 HG3 ARG A 19 -12.566 11.524 -0.624 1.00 0.55 H new ATOM 0 HD2 ARG A 19 -14.911 11.051 -0.311 1.00 51.45 H new ATOM 0 HD3 ARG A 19 -14.109 9.530 -0.645 1.00 51.45 H new ATOM 0 HE ARG A 19 -14.526 10.218 2.220 1.00 23.33 H new ATOM 0 HH11 ARG A 19 -15.651 8.440 -0.614 1.00 34.30 H new ATOM 0 HH12 ARG A 19 -16.561 7.263 0.339 1.00 34.30 H new ATOM 0 HH21 ARG A 19 -15.670 8.675 3.452 1.00 4.33 H new ATOM 0 HH22 ARG A 19 -16.573 7.394 2.638 1.00 4.33 H new ATOM 245 N THR A 20 -10.890 7.203 1.403 1.00 65.22 N ATOM 246 CA THR A 20 -9.901 6.185 1.501 1.00 33.52 C ATOM 247 C THR A 20 -9.335 5.847 0.126 1.00 41.35 C ATOM 248 O THR A 20 -10.043 5.911 -0.884 1.00 74.44 O ATOM 249 CB THR A 20 -10.487 4.924 2.181 1.00 14.34 C ATOM 250 OG1 THR A 20 -11.694 4.533 1.521 1.00 13.12 O ATOM 251 CG2 THR A 20 -10.782 5.187 3.654 1.00 22.31 C ATOM 0 H THR A 20 -11.621 7.023 0.715 1.00 65.22 H new ATOM 0 HA THR A 20 -9.084 6.558 2.119 1.00 33.52 H new ATOM 0 HB THR A 20 -9.749 4.125 2.108 1.00 14.34 H new ATOM 0 HG1 THR A 20 -12.060 3.734 1.954 1.00 13.12 H new ATOM 0 HG21 THR A 20 -11.193 4.286 4.109 1.00 22.31 H new ATOM 0 HG22 THR A 20 -9.860 5.464 4.166 1.00 22.31 H new ATOM 0 HG23 THR A 20 -11.504 5.999 3.741 1.00 22.31 H new ATOM 259 N TYR A 21 -8.066 5.566 0.074 1.00 63.11 N ATOM 260 CA TYR A 21 -7.423 5.145 -1.138 1.00 40.40 C ATOM 261 C TYR A 21 -6.684 3.863 -0.875 1.00 35.31 C ATOM 262 O TYR A 21 -5.745 3.842 -0.100 1.00 31.50 O ATOM 263 CB TYR A 21 -6.455 6.219 -1.672 1.00 51.53 C ATOM 264 CG TYR A 21 -5.662 5.766 -2.895 1.00 74.42 C ATOM 265 CD1 TYR A 21 -6.242 5.733 -4.155 1.00 24.12 C ATOM 266 CD2 TYR A 21 -4.335 5.365 -2.777 1.00 24.14 C ATOM 267 CE1 TYR A 21 -5.521 5.313 -5.258 1.00 52.14 C ATOM 268 CE2 TYR A 21 -3.612 4.948 -3.869 1.00 52.12 C ATOM 269 CZ TYR A 21 -4.204 4.922 -5.105 1.00 2.33 C ATOM 270 OH TYR A 21 -3.482 4.499 -6.192 1.00 61.13 O ATOM 0 H TYR A 21 -7.442 5.623 0.879 1.00 63.11 H new ATOM 0 HA TYR A 21 -8.185 4.989 -1.902 1.00 40.40 H new ATOM 0 HB2 TYR A 21 -7.022 7.114 -1.927 1.00 51.53 H new ATOM 0 HB3 TYR A 21 -5.760 6.497 -0.880 1.00 51.53 H new ATOM 0 HD1 TYR A 21 -7.271 6.039 -4.276 1.00 24.12 H new ATOM 0 HD2 TYR A 21 -3.863 5.382 -1.806 1.00 24.14 H new ATOM 0 HE1 TYR A 21 -5.984 5.291 -6.233 1.00 52.14 H new ATOM 0 HE2 TYR A 21 -2.583 4.642 -3.754 1.00 52.12 H new ATOM 0 HH TYR A 21 -2.574 4.262 -5.910 1.00 61.13 H new ATOM 280 N GLN A 22 -7.116 2.796 -1.466 1.00 5.40 N ATOM 281 CA GLN A 22 -6.414 1.553 -1.296 1.00 74.51 C ATOM 282 C GLN A 22 -5.237 1.524 -2.242 1.00 32.41 C ATOM 283 O GLN A 22 -5.378 1.889 -3.422 1.00 44.50 O ATOM 284 CB GLN A 22 -7.327 0.342 -1.498 1.00 51.43 C ATOM 285 CG GLN A 22 -6.611 -1.000 -1.346 1.00 22.34 C ATOM 286 CD GLN A 22 -7.547 -2.183 -1.423 1.00 44.21 C ATOM 287 OE1 GLN A 22 -8.716 -2.098 -1.031 1.00 64.43 O ATOM 288 NE2 GLN A 22 -7.058 -3.287 -1.932 1.00 72.01 N ATOM 0 H GLN A 22 -7.941 2.753 -2.065 1.00 5.40 H new ATOM 0 HA GLN A 22 -6.056 1.490 -0.269 1.00 74.51 H new ATOM 0 HB2 GLN A 22 -8.145 0.391 -0.779 1.00 51.43 H new ATOM 0 HB3 GLN A 22 -7.772 0.396 -2.491 1.00 51.43 H new ATOM 0 HG2 GLN A 22 -5.854 -1.092 -2.125 1.00 22.34 H new ATOM 0 HG3 GLN A 22 -6.088 -1.020 -0.390 1.00 22.34 H new ATOM 0 HE21 GLN A 22 -6.088 -3.318 -2.245 1.00 72.01 H new ATOM 0 HE22 GLN A 22 -7.648 -4.115 -2.016 1.00 72.01 H new ATOM 297 N LEU A 23 -4.086 1.150 -1.717 1.00 14.34 N ATOM 298 CA LEU A 23 -2.868 1.086 -2.491 1.00 3.34 C ATOM 299 C LEU A 23 -2.997 0.130 -3.638 1.00 61.23 C ATOM 300 O LEU A 23 -3.482 -0.998 -3.478 1.00 41.12 O ATOM 301 CB LEU A 23 -1.672 0.669 -1.632 1.00 62.42 C ATOM 302 CG LEU A 23 -1.192 1.656 -0.578 1.00 31.13 C ATOM 303 CD1 LEU A 23 0.015 1.093 0.142 1.00 52.43 C ATOM 304 CD2 LEU A 23 -0.842 2.987 -1.214 1.00 51.21 C ATOM 0 H LEU A 23 -3.972 0.882 -0.739 1.00 14.34 H new ATOM 0 HA LEU A 23 -2.696 2.091 -2.876 1.00 3.34 H new ATOM 0 HB2 LEU A 23 -1.927 -0.264 -1.129 1.00 62.42 H new ATOM 0 HB3 LEU A 23 -0.837 0.454 -2.298 1.00 62.42 H new ATOM 0 HG LEU A 23 -1.996 1.817 0.140 1.00 31.13 H new ATOM 0 HD11 LEU A 23 0.354 1.804 0.895 1.00 52.43 H new ATOM 0 HD12 LEU A 23 -0.255 0.154 0.625 1.00 52.43 H new ATOM 0 HD13 LEU A 23 0.816 0.915 -0.575 1.00 52.43 H new ATOM 0 HD21 LEU A 23 -0.501 3.679 -0.444 1.00 51.21 H new ATOM 0 HD22 LEU A 23 -0.050 2.842 -1.949 1.00 51.21 H new ATOM 0 HD23 LEU A 23 -1.723 3.398 -1.707 1.00 51.21 H new ATOM 316 N ARG A 24 -2.593 0.579 -4.791 1.00 5.41 N ATOM 317 CA ARG A 24 -2.583 -0.262 -5.943 1.00 73.21 C ATOM 318 C ARG A 24 -1.355 -1.117 -5.884 1.00 22.43 C ATOM 319 O ARG A 24 -0.309 -0.674 -5.385 1.00 42.32 O ATOM 320 CB ARG A 24 -2.572 0.550 -7.227 1.00 5.13 C ATOM 321 CG ARG A 24 -3.748 1.503 -7.387 1.00 3.40 C ATOM 322 CD ARG A 24 -5.077 0.770 -7.370 1.00 12.33 C ATOM 323 NE ARG A 24 -5.177 -0.213 -8.450 1.00 12.42 N ATOM 324 CZ ARG A 24 -6.218 -1.016 -8.659 1.00 22.11 C ATOM 325 NH1 ARG A 24 -7.256 -0.994 -7.830 1.00 3.12 N ATOM 326 NH2 ARG A 24 -6.220 -1.830 -9.703 1.00 53.31 N ATOM 0 H ARG A 24 -2.265 1.531 -4.954 1.00 5.41 H new ATOM 0 HA ARG A 24 -3.487 -0.871 -5.945 1.00 73.21 H new ATOM 0 HB2 ARG A 24 -1.647 1.125 -7.269 1.00 5.13 H new ATOM 0 HB3 ARG A 24 -2.560 -0.136 -8.074 1.00 5.13 H new ATOM 0 HG2 ARG A 24 -3.730 2.240 -6.584 1.00 3.40 H new ATOM 0 HG3 ARG A 24 -3.647 2.050 -8.324 1.00 3.40 H new ATOM 0 HD2 ARG A 24 -5.201 0.268 -6.411 1.00 12.33 H new ATOM 0 HD3 ARG A 24 -5.889 1.491 -7.460 1.00 12.33 H new ATOM 0 HE ARG A 24 -4.388 -0.289 -9.092 1.00 12.42 H new ATOM 0 HH11 ARG A 24 -7.257 -0.361 -7.031 1.00 3.12 H new ATOM 0 HH12 ARG A 24 -8.052 -1.611 -7.993 1.00 3.12 H new ATOM 0 HH21 ARG A 24 -5.426 -1.840 -10.343 1.00 53.31 H new ATOM 0 HH22 ARG A 24 -7.015 -2.447 -9.867 1.00 53.31 H new ATOM 340 N GLU A 25 -1.477 -2.320 -6.359 1.00 42.20 N ATOM 341 CA GLU A 25 -0.371 -3.233 -6.363 1.00 2.23 C ATOM 342 C GLU A 25 0.637 -2.820 -7.423 1.00 71.24 C ATOM 343 O GLU A 25 0.358 -2.813 -8.627 1.00 24.21 O ATOM 344 CB GLU A 25 -0.855 -4.670 -6.501 1.00 12.15 C ATOM 345 CG GLU A 25 -1.664 -4.951 -7.740 1.00 63.42 C ATOM 346 CD GLU A 25 -2.310 -6.286 -7.687 1.00 63.43 C ATOM 347 OE1 GLU A 25 -1.608 -7.314 -7.774 1.00 34.12 O ATOM 348 OE2 GLU A 25 -3.543 -6.350 -7.551 1.00 73.42 O ATOM 0 H GLU A 25 -2.340 -2.696 -6.753 1.00 42.20 H new ATOM 0 HA GLU A 25 0.148 -3.190 -5.406 1.00 2.23 H new ATOM 0 HB2 GLU A 25 0.011 -5.332 -6.492 1.00 12.15 H new ATOM 0 HB3 GLU A 25 -1.457 -4.921 -5.627 1.00 12.15 H new ATOM 0 HG2 GLU A 25 -2.428 -4.182 -7.857 1.00 63.42 H new ATOM 0 HG3 GLU A 25 -1.018 -4.895 -8.616 1.00 63.42 H new ATOM 355 N GLY A 26 1.763 -2.429 -6.949 1.00 74.15 N ATOM 356 CA GLY A 26 2.794 -1.878 -7.749 1.00 12.21 C ATOM 357 C GLY A 26 3.323 -0.685 -7.021 1.00 31.40 C ATOM 358 O GLY A 26 3.108 -0.566 -5.806 1.00 75.21 O ATOM 0 H GLY A 26 2.000 -2.486 -5.959 1.00 74.15 H new ATOM 0 HA2 GLY A 26 3.585 -2.609 -7.916 1.00 12.21 H new ATOM 0 HA3 GLY A 26 2.411 -1.593 -8.729 1.00 12.21 H new ATOM 362 N SER A 27 3.990 0.189 -7.683 1.00 5.20 N ATOM 363 CA SER A 27 4.487 1.344 -7.014 1.00 74.12 C ATOM 364 C SER A 27 3.719 2.607 -7.391 1.00 61.42 C ATOM 365 O SER A 27 3.403 2.836 -8.564 1.00 41.24 O ATOM 366 CB SER A 27 5.974 1.490 -7.240 1.00 51.22 C ATOM 367 OG SER A 27 6.287 1.439 -8.632 1.00 74.43 O ATOM 0 H SER A 27 4.205 0.132 -8.678 1.00 5.20 H new ATOM 0 HA SER A 27 4.325 1.204 -5.945 1.00 74.12 H new ATOM 0 HB2 SER A 27 6.318 2.435 -6.821 1.00 51.22 H new ATOM 0 HB3 SER A 27 6.505 0.696 -6.715 1.00 51.22 H new ATOM 0 HG SER A 27 7.254 1.537 -8.754 1.00 74.43 H new ATOM 373 N ASN A 28 3.437 3.412 -6.414 1.00 24.22 N ATOM 374 CA ASN A 28 2.752 4.653 -6.621 1.00 14.12 C ATOM 375 C ASN A 28 3.618 5.785 -6.136 1.00 42.54 C ATOM 376 O ASN A 28 4.061 5.804 -4.997 1.00 10.34 O ATOM 377 CB ASN A 28 1.352 4.673 -5.958 1.00 14.21 C ATOM 378 CG ASN A 28 1.361 4.408 -4.460 1.00 61.22 C ATOM 379 OD1 ASN A 28 1.446 5.322 -3.658 1.00 65.33 O ATOM 380 ND2 ASN A 28 1.268 3.156 -4.082 1.00 55.00 N ATOM 0 H ASN A 28 3.678 3.226 -5.440 1.00 24.22 H new ATOM 0 HA ASN A 28 2.573 4.774 -7.689 1.00 14.12 H new ATOM 0 HB2 ASN A 28 0.891 5.644 -6.140 1.00 14.21 H new ATOM 0 HB3 ASN A 28 0.723 3.926 -6.443 1.00 14.21 H new ATOM 0 HD21 ASN A 28 1.265 2.922 -3.089 1.00 55.00 H new ATOM 0 HD22 ASN A 28 1.198 2.416 -4.781 1.00 55.00 H new ATOM 387 N ILE A 29 3.925 6.671 -7.028 1.00 3.31 N ATOM 388 CA ILE A 29 4.753 7.808 -6.728 1.00 51.15 C ATOM 389 C ILE A 29 3.859 9.010 -6.509 1.00 63.43 C ATOM 390 O ILE A 29 3.079 9.366 -7.392 1.00 62.32 O ATOM 391 CB ILE A 29 5.728 8.098 -7.899 1.00 72.22 C ATOM 392 CG1 ILE A 29 6.566 6.844 -8.221 1.00 3.30 C ATOM 393 CG2 ILE A 29 6.632 9.281 -7.562 1.00 42.33 C ATOM 394 CD1 ILE A 29 7.500 6.998 -9.402 1.00 20.45 C ATOM 0 H ILE A 29 3.608 6.631 -7.997 1.00 3.31 H new ATOM 0 HA ILE A 29 5.340 7.600 -5.834 1.00 51.15 H new ATOM 0 HB ILE A 29 5.144 8.357 -8.782 1.00 72.22 H new ATOM 0 HG12 ILE A 29 7.153 6.580 -7.342 1.00 3.30 H new ATOM 0 HG13 ILE A 29 5.890 6.011 -8.415 1.00 3.30 H new ATOM 0 HG21 ILE A 29 7.309 9.470 -8.395 1.00 42.33 H new ATOM 0 HG22 ILE A 29 6.021 10.166 -7.383 1.00 42.33 H new ATOM 0 HG23 ILE A 29 7.212 9.053 -6.668 1.00 42.33 H new ATOM 0 HD11 ILE A 29 8.049 6.069 -9.556 1.00 20.45 H new ATOM 0 HD12 ILE A 29 6.921 7.229 -10.296 1.00 20.45 H new ATOM 0 HD13 ILE A 29 8.204 7.807 -9.206 1.00 20.45 H new ATOM 406 N ILE A 30 3.945 9.597 -5.357 1.00 3.03 N ATOM 407 CA ILE A 30 3.166 10.754 -5.031 1.00 42.11 C ATOM 408 C ILE A 30 4.014 11.997 -5.242 1.00 14.11 C ATOM 409 O ILE A 30 5.186 12.047 -4.811 1.00 3.44 O ATOM 410 CB ILE A 30 2.628 10.716 -3.561 1.00 42.42 C ATOM 411 CG1 ILE A 30 1.742 9.475 -3.329 1.00 64.21 C ATOM 412 CG2 ILE A 30 1.873 12.000 -3.225 1.00 0.02 C ATOM 413 CD1 ILE A 30 1.262 9.305 -1.899 1.00 41.54 C ATOM 0 H ILE A 30 4.563 9.285 -4.608 1.00 3.03 H new ATOM 0 HA ILE A 30 2.296 10.770 -5.688 1.00 42.11 H new ATOM 0 HB ILE A 30 3.484 10.645 -2.890 1.00 42.42 H new ATOM 0 HG12 ILE A 30 0.874 9.535 -3.986 1.00 64.21 H new ATOM 0 HG13 ILE A 30 2.301 8.585 -3.620 1.00 64.21 H new ATOM 0 HG21 ILE A 30 1.509 11.950 -2.199 1.00 0.02 H new ATOM 0 HG22 ILE A 30 2.542 12.854 -3.331 1.00 0.02 H new ATOM 0 HG23 ILE A 30 1.028 12.114 -3.905 1.00 0.02 H new ATOM 0 HD11 ILE A 30 0.646 8.409 -1.826 1.00 41.54 H new ATOM 0 HD12 ILE A 30 2.122 9.210 -1.236 1.00 41.54 H new ATOM 0 HD13 ILE A 30 0.673 10.174 -1.607 1.00 41.54 H new ATOM 425 N GLY A 31 3.467 12.946 -5.957 1.00 72.24 N ATOM 426 CA GLY A 31 4.118 14.195 -6.168 1.00 24.54 C ATOM 427 C GLY A 31 3.545 14.878 -7.361 1.00 12.51 C ATOM 428 O GLY A 31 2.538 14.424 -7.888 1.00 3.12 O ATOM 0 H GLY A 31 2.555 12.866 -6.407 1.00 72.24 H new ATOM 0 HA2 GLY A 31 4.002 14.827 -5.287 1.00 24.54 H new ATOM 0 HA3 GLY A 31 5.187 14.037 -6.309 1.00 24.54 H new ATOM 432 N ARG A 32 4.127 15.973 -7.771 1.00 63.40 N ATOM 433 CA ARG A 32 3.699 16.620 -8.988 1.00 52.34 C ATOM 434 C ARG A 32 4.857 16.776 -9.925 1.00 2.51 C ATOM 435 O ARG A 32 5.760 17.588 -9.699 1.00 22.32 O ATOM 436 CB ARG A 32 3.010 17.971 -8.769 1.00 41.31 C ATOM 437 CG ARG A 32 1.712 17.891 -7.999 1.00 53.34 C ATOM 438 CD ARG A 32 0.762 19.016 -8.390 1.00 40.05 C ATOM 439 NE ARG A 32 1.253 20.366 -8.095 1.00 44.11 N ATOM 440 CZ ARG A 32 1.480 21.297 -9.034 1.00 13.52 C ATOM 441 NH1 ARG A 32 1.516 20.952 -10.322 1.00 23.32 N ATOM 442 NH2 ARG A 32 1.681 22.570 -8.690 1.00 64.44 N ATOM 0 H ARG A 32 4.895 16.436 -7.285 1.00 63.40 H new ATOM 0 HA ARG A 32 2.945 15.966 -9.426 1.00 52.34 H new ATOM 0 HB2 ARG A 32 3.694 18.632 -8.237 1.00 41.31 H new ATOM 0 HB3 ARG A 32 2.815 18.428 -9.739 1.00 41.31 H new ATOM 0 HG2 ARG A 32 1.235 16.929 -8.186 1.00 53.34 H new ATOM 0 HG3 ARG A 32 1.918 17.942 -6.930 1.00 53.34 H new ATOM 0 HD2 ARG A 32 0.557 18.945 -9.458 1.00 40.05 H new ATOM 0 HD3 ARG A 32 -0.186 18.868 -7.873 1.00 40.05 H new ATOM 0 HE ARG A 32 1.432 20.611 -7.121 1.00 44.11 H new ATOM 0 HH11 ARG A 32 1.371 19.980 -10.594 1.00 23.32 H new ATOM 0 HH12 ARG A 32 1.689 21.661 -11.035 1.00 23.32 H new ATOM 0 HH21 ARG A 32 1.663 22.842 -7.707 1.00 64.44 H new ATOM 0 HH22 ARG A 32 1.853 23.272 -9.410 1.00 64.44 H new ATOM 456 N GLY A 33 4.842 15.989 -10.946 1.00 30.11 N ATOM 457 CA GLY A 33 5.846 16.034 -11.947 1.00 53.12 C ATOM 458 C GLY A 33 5.624 14.958 -12.961 1.00 5.24 C ATOM 459 O GLY A 33 4.731 14.116 -12.787 1.00 24.10 O ATOM 0 H GLY A 33 4.120 15.287 -11.109 1.00 30.11 H new ATOM 0 HA2 GLY A 33 5.838 17.009 -12.435 1.00 53.12 H new ATOM 0 HA3 GLY A 33 6.829 15.914 -11.490 1.00 53.12 H new ATOM 463 N GLN A 34 6.457 14.943 -13.978 1.00 12.45 N ATOM 464 CA GLN A 34 6.388 13.973 -15.083 1.00 21.45 C ATOM 465 C GLN A 34 6.432 12.511 -14.582 1.00 71.55 C ATOM 466 O GLN A 34 5.806 11.621 -15.154 1.00 44.14 O ATOM 467 CB GLN A 34 7.576 14.201 -16.036 1.00 42.44 C ATOM 468 CG GLN A 34 8.922 14.095 -15.327 1.00 3.35 C ATOM 469 CD GLN A 34 10.122 14.118 -16.231 1.00 75.10 C ATOM 470 OE1 GLN A 34 10.120 14.741 -17.305 1.00 72.41 O ATOM 471 NE2 GLN A 34 11.153 13.443 -15.807 1.00 52.54 N ATOM 0 H GLN A 34 7.221 15.612 -14.075 1.00 12.45 H new ATOM 0 HA GLN A 34 5.438 14.128 -15.594 1.00 21.45 H new ATOM 0 HB2 GLN A 34 7.536 13.470 -16.843 1.00 42.44 H new ATOM 0 HB3 GLN A 34 7.487 15.186 -16.494 1.00 42.44 H new ATOM 0 HG2 GLN A 34 9.006 14.917 -14.616 1.00 3.35 H new ATOM 0 HG3 GLN A 34 8.939 13.171 -14.749 1.00 3.35 H new ATOM 0 HE21 GLN A 34 11.107 12.947 -14.917 1.00 52.54 H new ATOM 0 HE22 GLN A 34 12.006 13.411 -16.365 1.00 52.54 H new ATOM 480 N ASP A 35 7.140 12.290 -13.492 1.00 63.52 N ATOM 481 CA ASP A 35 7.392 10.946 -12.991 1.00 12.25 C ATOM 482 C ASP A 35 6.392 10.543 -11.928 1.00 51.43 C ATOM 483 O ASP A 35 6.467 9.439 -11.389 1.00 21.32 O ATOM 484 CB ASP A 35 8.806 10.854 -12.401 1.00 42.31 C ATOM 485 CG ASP A 35 9.909 11.197 -13.378 1.00 40.51 C ATOM 486 OD1 ASP A 35 10.199 10.390 -14.279 1.00 31.24 O ATOM 487 OD2 ASP A 35 10.541 12.264 -13.231 1.00 31.42 O ATOM 0 H ASP A 35 7.557 13.031 -12.928 1.00 63.52 H new ATOM 0 HA ASP A 35 7.292 10.266 -13.837 1.00 12.25 H new ATOM 0 HB2 ASP A 35 8.874 11.524 -11.544 1.00 42.31 H new ATOM 0 HB3 ASP A 35 8.967 9.842 -12.029 1.00 42.31 H new ATOM 492 N ALA A 36 5.454 11.412 -11.639 1.00 15.14 N ATOM 493 CA ALA A 36 4.505 11.170 -10.574 1.00 23.51 C ATOM 494 C ALA A 36 3.311 10.361 -11.047 1.00 2.20 C ATOM 495 O ALA A 36 2.906 10.444 -12.212 1.00 74.24 O ATOM 496 CB ALA A 36 4.052 12.475 -9.970 1.00 53.31 C ATOM 0 H ALA A 36 5.325 12.298 -12.128 1.00 15.14 H new ATOM 0 HA ALA A 36 5.013 10.581 -9.811 1.00 23.51 H new ATOM 0 HB1 ALA A 36 3.338 12.277 -9.170 1.00 53.31 H new ATOM 0 HB2 ALA A 36 4.913 13.007 -9.565 1.00 53.31 H new ATOM 0 HB3 ALA A 36 3.577 13.086 -10.738 1.00 53.31 H new ATOM 502 N GLN A 37 2.757 9.593 -10.138 1.00 14.10 N ATOM 503 CA GLN A 37 1.620 8.743 -10.389 1.00 52.45 C ATOM 504 C GLN A 37 0.399 9.350 -9.716 1.00 0.25 C ATOM 505 O GLN A 37 -0.591 9.657 -10.350 1.00 55.41 O ATOM 506 CB GLN A 37 1.894 7.360 -9.794 1.00 53.41 C ATOM 507 CG GLN A 37 3.060 6.623 -10.432 1.00 72.34 C ATOM 508 CD GLN A 37 2.766 6.218 -11.851 1.00 20.01 C ATOM 509 OE1 GLN A 37 3.013 6.969 -12.795 1.00 53.31 O ATOM 510 NE2 GLN A 37 2.244 5.033 -12.013 1.00 50.12 N ATOM 0 H GLN A 37 3.095 9.542 -9.177 1.00 14.10 H new ATOM 0 HA GLN A 37 1.444 8.652 -11.461 1.00 52.45 H new ATOM 0 HB2 GLN A 37 2.089 7.469 -8.727 1.00 53.41 H new ATOM 0 HB3 GLN A 37 0.996 6.750 -9.894 1.00 53.41 H new ATOM 0 HG2 GLN A 37 3.945 7.260 -10.413 1.00 72.34 H new ATOM 0 HG3 GLN A 37 3.293 5.736 -9.843 1.00 72.34 H new ATOM 0 HE21 GLN A 37 2.056 4.443 -11.202 1.00 50.12 H new ATOM 0 HE22 GLN A 37 2.024 4.696 -12.950 1.00 50.12 H new ATOM 519 N PHE A 38 0.510 9.533 -8.426 1.00 65.11 N ATOM 520 CA PHE A 38 -0.521 10.122 -7.619 1.00 24.15 C ATOM 521 C PHE A 38 -0.096 11.548 -7.378 1.00 64.51 C ATOM 522 O PHE A 38 0.953 11.798 -6.794 1.00 55.40 O ATOM 523 CB PHE A 38 -0.622 9.343 -6.298 1.00 33.22 C ATOM 524 CG PHE A 38 -1.648 9.831 -5.290 1.00 75.53 C ATOM 525 CD1 PHE A 38 -1.403 10.953 -4.513 1.00 44.41 C ATOM 526 CD2 PHE A 38 -2.817 9.125 -5.075 1.00 10.30 C ATOM 527 CE1 PHE A 38 -2.286 11.367 -3.562 1.00 70.25 C ATOM 528 CE2 PHE A 38 -3.726 9.542 -4.119 1.00 74.24 C ATOM 529 CZ PHE A 38 -3.457 10.667 -3.358 1.00 64.41 C ATOM 0 H PHE A 38 1.341 9.269 -7.897 1.00 65.11 H new ATOM 0 HA PHE A 38 -1.500 10.092 -8.098 1.00 24.15 H new ATOM 0 HB2 PHE A 38 -0.846 8.303 -6.534 1.00 33.22 H new ATOM 0 HB3 PHE A 38 0.357 9.358 -5.820 1.00 33.22 H new ATOM 0 HD1 PHE A 38 -0.491 11.511 -4.665 1.00 44.41 H new ATOM 0 HD2 PHE A 38 -3.023 8.240 -5.659 1.00 10.30 H new ATOM 0 HE1 PHE A 38 -2.069 12.243 -2.968 1.00 70.25 H new ATOM 0 HE2 PHE A 38 -4.643 8.992 -3.967 1.00 74.24 H new ATOM 0 HZ PHE A 38 -4.161 10.995 -2.608 1.00 64.41 H new ATOM 539 N ARG A 39 -0.855 12.465 -7.846 1.00 44.31 N ATOM 540 CA ARG A 39 -0.468 13.835 -7.764 1.00 45.02 C ATOM 541 C ARG A 39 -1.289 14.582 -6.748 1.00 41.41 C ATOM 542 O ARG A 39 -2.524 14.544 -6.788 1.00 43.02 O ATOM 543 CB ARG A 39 -0.575 14.483 -9.133 1.00 24.21 C ATOM 544 CG ARG A 39 0.259 13.782 -10.194 1.00 44.40 C ATOM 545 CD ARG A 39 0.188 14.485 -11.525 1.00 44.23 C ATOM 546 NE ARG A 39 -1.173 14.571 -12.056 1.00 11.12 N ATOM 547 CZ ARG A 39 -1.483 14.580 -13.353 1.00 34.52 C ATOM 548 NH1 ARG A 39 -0.549 14.348 -14.276 1.00 33.42 N ATOM 549 NH2 ARG A 39 -2.735 14.794 -13.728 1.00 2.12 N ATOM 0 H ARG A 39 -1.756 12.298 -8.294 1.00 44.31 H new ATOM 0 HA ARG A 39 0.569 13.879 -7.432 1.00 45.02 H new ATOM 0 HB2 ARG A 39 -1.619 14.487 -9.445 1.00 24.21 H new ATOM 0 HB3 ARG A 39 -0.259 15.524 -9.061 1.00 24.21 H new ATOM 0 HG2 ARG A 39 1.297 13.733 -9.865 1.00 44.40 H new ATOM 0 HG3 ARG A 39 -0.088 12.755 -10.308 1.00 44.40 H new ATOM 0 HD2 ARG A 39 0.595 15.491 -11.420 1.00 44.23 H new ATOM 0 HD3 ARG A 39 0.819 13.959 -12.241 1.00 44.23 H new ATOM 0 HE ARG A 39 -1.940 14.628 -11.386 1.00 11.12 H new ATOM 0 HH11 ARG A 39 0.413 14.161 -13.993 1.00 33.42 H new ATOM 0 HH12 ARG A 39 -0.796 14.357 -15.265 1.00 33.42 H new ATOM 0 HH21 ARG A 39 -3.458 14.951 -13.026 1.00 2.12 H new ATOM 0 HH22 ARG A 39 -2.976 14.802 -14.719 1.00 2.12 H new ATOM 563 N LEU A 40 -0.606 15.239 -5.830 1.00 12.40 N ATOM 564 CA LEU A 40 -1.258 16.060 -4.831 1.00 33.22 C ATOM 565 C LEU A 40 -1.721 17.353 -5.466 1.00 32.13 C ATOM 566 O LEU A 40 -1.100 17.831 -6.388 1.00 32.33 O ATOM 567 CB LEU A 40 -0.319 16.376 -3.654 1.00 43.34 C ATOM 568 CG LEU A 40 0.028 15.224 -2.715 1.00 62.43 C ATOM 569 CD1 LEU A 40 0.961 15.714 -1.627 1.00 41.22 C ATOM 570 CD2 LEU A 40 -1.233 14.638 -2.093 1.00 74.21 C ATOM 0 H LEU A 40 0.411 15.218 -5.757 1.00 12.40 H new ATOM 0 HA LEU A 40 -2.110 15.503 -4.442 1.00 33.22 H new ATOM 0 HB2 LEU A 40 0.611 16.774 -4.060 1.00 43.34 H new ATOM 0 HB3 LEU A 40 -0.774 17.170 -3.062 1.00 43.34 H new ATOM 0 HG LEU A 40 0.523 14.442 -3.291 1.00 62.43 H new ATOM 0 HD11 LEU A 40 1.206 14.888 -0.959 1.00 41.22 H new ATOM 0 HD12 LEU A 40 1.875 16.100 -2.078 1.00 41.22 H new ATOM 0 HD13 LEU A 40 0.474 16.507 -1.060 1.00 41.22 H new ATOM 0 HD21 LEU A 40 -0.963 13.818 -1.427 1.00 74.21 H new ATOM 0 HD22 LEU A 40 -1.752 15.411 -1.526 1.00 74.21 H new ATOM 0 HD23 LEU A 40 -1.888 14.265 -2.881 1.00 74.21 H new ATOM 582 N PRO A 41 -2.809 17.928 -4.988 1.00 10.12 N ATOM 583 CA PRO A 41 -3.346 19.174 -5.538 1.00 52.24 C ATOM 584 C PRO A 41 -2.624 20.445 -5.033 1.00 15.42 C ATOM 585 O PRO A 41 -3.088 21.567 -5.275 1.00 0.14 O ATOM 586 CB PRO A 41 -4.798 19.160 -5.062 1.00 54.34 C ATOM 587 CG PRO A 41 -4.786 18.372 -3.794 1.00 50.05 C ATOM 588 CD PRO A 41 -3.648 17.388 -3.902 1.00 3.33 C ATOM 0 HA PRO A 41 -3.222 19.215 -6.620 1.00 52.24 H new ATOM 0 HB2 PRO A 41 -5.167 20.172 -4.894 1.00 54.34 H new ATOM 0 HB3 PRO A 41 -5.451 18.702 -5.804 1.00 54.34 H new ATOM 0 HG2 PRO A 41 -4.650 19.027 -2.933 1.00 50.05 H new ATOM 0 HG3 PRO A 41 -5.734 17.853 -3.653 1.00 50.05 H new ATOM 0 HD2 PRO A 41 -3.093 17.316 -2.967 1.00 3.33 H new ATOM 0 HD3 PRO A 41 -4.008 16.386 -4.137 1.00 3.33 H new ATOM 596 N ASP A 42 -1.489 20.277 -4.377 1.00 64.14 N ATOM 597 CA ASP A 42 -0.759 21.415 -3.818 1.00 10.00 C ATOM 598 C ASP A 42 0.614 21.535 -4.512 1.00 60.52 C ATOM 599 O ASP A 42 0.936 20.735 -5.404 1.00 70.14 O ATOM 600 CB ASP A 42 -0.594 21.253 -2.293 1.00 41.33 C ATOM 601 CG ASP A 42 -0.335 22.567 -1.568 1.00 52.14 C ATOM 602 OD1 ASP A 42 0.803 23.049 -1.557 1.00 31.51 O ATOM 603 OD2 ASP A 42 -1.276 23.142 -1.012 1.00 62.11 O ATOM 0 H ASP A 42 -1.050 19.371 -4.216 1.00 64.14 H new ATOM 0 HA ASP A 42 -1.324 22.330 -3.996 1.00 10.00 H new ATOM 0 HB2 ASP A 42 -1.494 20.793 -1.885 1.00 41.33 H new ATOM 0 HB3 ASP A 42 0.231 20.569 -2.095 1.00 41.33 H new ATOM 608 N THR A 43 1.421 22.475 -4.092 1.00 61.43 N ATOM 609 CA THR A 43 2.672 22.763 -4.709 1.00 52.20 C ATOM 610 C THR A 43 3.788 22.783 -3.637 1.00 73.54 C ATOM 611 O THR A 43 3.542 23.100 -2.478 1.00 23.41 O ATOM 612 CB THR A 43 2.567 24.118 -5.439 1.00 33.32 C ATOM 613 OG1 THR A 43 1.444 24.058 -6.335 1.00 72.24 O ATOM 614 CG2 THR A 43 3.815 24.414 -6.243 1.00 64.35 C ATOM 0 H THR A 43 1.213 23.071 -3.291 1.00 61.43 H new ATOM 0 HA THR A 43 2.924 21.993 -5.438 1.00 52.20 H new ATOM 0 HB THR A 43 2.446 24.907 -4.697 1.00 33.32 H new ATOM 0 HG1 THR A 43 1.358 24.911 -6.809 1.00 72.24 H new ATOM 0 HG21 THR A 43 3.706 25.376 -6.744 1.00 64.35 H new ATOM 0 HG22 THR A 43 4.677 24.447 -5.577 1.00 64.35 H new ATOM 0 HG23 THR A 43 3.962 23.632 -6.988 1.00 64.35 H new ATOM 622 N GLY A 44 4.990 22.424 -4.027 1.00 23.22 N ATOM 623 CA GLY A 44 6.091 22.315 -3.090 1.00 60.11 C ATOM 624 C GLY A 44 6.476 20.875 -2.974 1.00 53.45 C ATOM 625 O GLY A 44 7.566 20.523 -2.515 1.00 34.40 O ATOM 0 H GLY A 44 5.233 22.201 -4.992 1.00 23.22 H new ATOM 0 HA2 GLY A 44 6.940 22.907 -3.432 1.00 60.11 H new ATOM 0 HA3 GLY A 44 5.800 22.709 -2.116 1.00 60.11 H new ATOM 629 N VAL A 45 5.564 20.056 -3.429 1.00 64.43 N ATOM 630 CA VAL A 45 5.701 18.632 -3.478 1.00 15.12 C ATOM 631 C VAL A 45 6.523 18.297 -4.710 1.00 70.11 C ATOM 632 O VAL A 45 6.211 18.775 -5.812 1.00 41.23 O ATOM 633 CB VAL A 45 4.303 17.977 -3.601 1.00 23.43 C ATOM 634 CG1 VAL A 45 4.388 16.474 -3.508 1.00 71.23 C ATOM 635 CG2 VAL A 45 3.362 18.520 -2.546 1.00 4.10 C ATOM 0 H VAL A 45 4.668 20.382 -3.790 1.00 64.43 H new ATOM 0 HA VAL A 45 6.184 18.261 -2.574 1.00 15.12 H new ATOM 0 HB VAL A 45 3.907 18.229 -4.584 1.00 23.43 H new ATOM 0 HG11 VAL A 45 3.389 16.047 -3.598 1.00 71.23 H new ATOM 0 HG12 VAL A 45 5.019 16.095 -4.312 1.00 71.23 H new ATOM 0 HG13 VAL A 45 4.818 16.193 -2.547 1.00 71.23 H new ATOM 0 HG21 VAL A 45 2.386 18.046 -2.651 1.00 4.10 H new ATOM 0 HG22 VAL A 45 3.764 18.307 -1.556 1.00 4.10 H new ATOM 0 HG23 VAL A 45 3.258 19.598 -2.671 1.00 4.10 H new ATOM 645 N SER A 46 7.551 17.523 -4.529 1.00 21.11 N ATOM 646 CA SER A 46 8.479 17.188 -5.596 1.00 61.40 C ATOM 647 C SER A 46 7.827 16.288 -6.674 1.00 63.32 C ATOM 648 O SER A 46 6.732 15.752 -6.465 1.00 11.40 O ATOM 649 CB SER A 46 9.691 16.523 -4.971 1.00 22.32 C ATOM 650 OG SER A 46 10.181 17.332 -3.908 1.00 53.03 O ATOM 0 H SER A 46 7.781 17.096 -3.632 1.00 21.11 H new ATOM 0 HA SER A 46 8.780 18.098 -6.115 1.00 61.40 H new ATOM 0 HB2 SER A 46 9.424 15.535 -4.597 1.00 22.32 H new ATOM 0 HB3 SER A 46 10.468 16.380 -5.722 1.00 22.32 H new ATOM 0 HG SER A 46 10.963 16.902 -3.503 1.00 53.03 H new ATOM 656 N ARG A 47 8.496 16.155 -7.838 1.00 5.04 N ATOM 657 CA ARG A 47 7.996 15.322 -8.942 1.00 25.51 C ATOM 658 C ARG A 47 7.911 13.867 -8.483 1.00 1.44 C ATOM 659 O ARG A 47 7.008 13.135 -8.847 1.00 60.12 O ATOM 660 CB ARG A 47 8.875 15.475 -10.212 1.00 22.23 C ATOM 661 CG ARG A 47 10.265 14.900 -10.114 1.00 33.21 C ATOM 662 CD ARG A 47 11.090 15.214 -11.342 1.00 54.01 C ATOM 663 NE ARG A 47 12.264 14.343 -11.441 1.00 72.12 N ATOM 664 CZ ARG A 47 13.384 14.408 -10.690 1.00 50.51 C ATOM 665 NH1 ARG A 47 13.518 15.318 -9.710 1.00 33.04 N ATOM 666 NH2 ARG A 47 14.372 13.553 -10.930 1.00 35.54 N ATOM 0 H ARG A 47 9.385 16.616 -8.034 1.00 5.04 H new ATOM 0 HA ARG A 47 6.996 15.659 -9.216 1.00 25.51 H new ATOM 0 HB2 ARG A 47 8.362 14.998 -11.047 1.00 22.23 H new ATOM 0 HB3 ARG A 47 8.956 16.535 -10.451 1.00 22.23 H new ATOM 0 HG2 ARG A 47 10.762 15.299 -9.230 1.00 33.21 H new ATOM 0 HG3 ARG A 47 10.203 13.820 -9.984 1.00 33.21 H new ATOM 0 HD2 ARG A 47 10.474 15.098 -12.234 1.00 54.01 H new ATOM 0 HD3 ARG A 47 11.411 16.255 -11.309 1.00 54.01 H new ATOM 0 HE ARG A 47 12.232 13.612 -12.151 1.00 72.12 H new ATOM 0 HH11 ARG A 47 12.764 15.978 -9.521 1.00 33.04 H new ATOM 0 HH12 ARG A 47 14.374 15.348 -9.156 1.00 33.04 H new ATOM 0 HH21 ARG A 47 14.278 12.860 -11.673 1.00 35.54 H new ATOM 0 HH22 ARG A 47 15.225 13.589 -10.371 1.00 35.54 H new ATOM 680 N ARG A 48 8.879 13.485 -7.697 1.00 64.55 N ATOM 681 CA ARG A 48 8.880 12.253 -6.982 1.00 21.15 C ATOM 682 C ARG A 48 9.118 12.664 -5.570 1.00 74.23 C ATOM 683 O ARG A 48 10.231 12.992 -5.209 1.00 0.23 O ATOM 684 CB ARG A 48 9.996 11.279 -7.449 1.00 32.42 C ATOM 685 CG ARG A 48 9.886 10.832 -8.898 1.00 41.14 C ATOM 686 CD ARG A 48 11.003 9.862 -9.302 1.00 64.03 C ATOM 687 NE ARG A 48 10.927 8.540 -8.620 1.00 54.15 N ATOM 688 CZ ARG A 48 11.252 7.356 -9.199 1.00 12.12 C ATOM 689 NH1 ARG A 48 11.659 7.317 -10.460 1.00 43.24 N ATOM 690 NH2 ARG A 48 11.177 6.226 -8.507 1.00 15.02 N ATOM 0 H ARG A 48 9.715 14.047 -7.536 1.00 64.55 H new ATOM 0 HA ARG A 48 7.949 11.708 -7.136 1.00 21.15 H new ATOM 0 HB2 ARG A 48 10.963 11.761 -7.304 1.00 32.42 H new ATOM 0 HB3 ARG A 48 9.980 10.397 -6.809 1.00 32.42 H new ATOM 0 HG2 ARG A 48 8.920 10.353 -9.054 1.00 41.14 H new ATOM 0 HG3 ARG A 48 9.917 11.707 -9.548 1.00 41.14 H new ATOM 0 HD2 ARG A 48 10.964 9.707 -10.380 1.00 64.03 H new ATOM 0 HD3 ARG A 48 11.967 10.320 -9.080 1.00 64.03 H new ATOM 0 HE ARG A 48 10.609 8.523 -7.651 1.00 54.15 H new ATOM 0 HH11 ARG A 48 11.729 8.179 -11.000 1.00 43.24 H new ATOM 0 HH12 ARG A 48 11.902 6.425 -10.890 1.00 43.24 H new ATOM 0 HH21 ARG A 48 10.874 6.243 -7.533 1.00 15.02 H new ATOM 0 HH22 ARG A 48 11.423 5.340 -8.949 1.00 15.02 H new ATOM 704 N HIS A 49 8.073 12.805 -4.828 1.00 44.04 N ATOM 705 CA HIS A 49 8.186 13.234 -3.452 1.00 70.23 C ATOM 706 C HIS A 49 8.283 12.022 -2.563 1.00 51.52 C ATOM 707 O HIS A 49 9.020 11.996 -1.589 1.00 3.52 O ATOM 708 CB HIS A 49 6.964 14.097 -3.086 1.00 42.51 C ATOM 709 CG HIS A 49 6.917 14.569 -1.665 1.00 41.50 C ATOM 710 ND1 HIS A 49 7.325 15.825 -1.311 1.00 31.00 N ATOM 711 CD2 HIS A 49 6.499 13.910 -0.563 1.00 71.33 C ATOM 712 CE1 HIS A 49 7.151 15.893 -0.002 1.00 41.03 C ATOM 713 NE2 HIS A 49 6.654 14.755 0.491 1.00 14.45 N ATOM 0 H HIS A 49 7.118 12.631 -5.143 1.00 44.04 H new ATOM 0 HA HIS A 49 9.084 13.836 -3.314 1.00 70.23 H new ATOM 0 HB2 HIS A 49 6.945 14.968 -3.742 1.00 42.51 H new ATOM 0 HB3 HIS A 49 6.060 13.524 -3.291 1.00 42.51 H new ATOM 0 HD2 HIS A 49 6.114 12.902 -0.526 1.00 71.33 H new ATOM 0 HE1 HIS A 49 7.382 16.762 0.596 1.00 41.03 H new ATOM 0 HE2 HIS A 49 6.434 14.558 1.467 1.00 14.45 H new ATOM 721 N LEU A 50 7.554 11.020 -2.923 1.00 53.32 N ATOM 722 CA LEU A 50 7.500 9.812 -2.179 1.00 54.02 C ATOM 723 C LEU A 50 6.953 8.746 -3.066 1.00 45.43 C ATOM 724 O LEU A 50 6.203 9.035 -3.983 1.00 33.04 O ATOM 725 CB LEU A 50 6.651 10.032 -0.902 1.00 22.13 C ATOM 726 CG LEU A 50 6.296 8.821 -0.029 1.00 20.14 C ATOM 727 CD1 LEU A 50 6.026 9.294 1.367 1.00 32.01 C ATOM 728 CD2 LEU A 50 5.038 8.130 -0.542 1.00 40.33 C ATOM 0 H LEU A 50 6.969 11.020 -3.759 1.00 53.32 H new ATOM 0 HA LEU A 50 8.490 9.499 -1.846 1.00 54.02 H new ATOM 0 HB2 LEU A 50 7.181 10.747 -0.273 1.00 22.13 H new ATOM 0 HB3 LEU A 50 5.717 10.505 -1.205 1.00 22.13 H new ATOM 0 HG LEU A 50 7.130 8.119 -0.057 1.00 20.14 H new ATOM 0 HD11 LEU A 50 5.772 8.442 1.997 1.00 32.01 H new ATOM 0 HD12 LEU A 50 6.914 9.786 1.763 1.00 32.01 H new ATOM 0 HD13 LEU A 50 5.194 9.999 1.358 1.00 32.01 H new ATOM 0 HD21 LEU A 50 4.808 7.275 0.094 1.00 40.33 H new ATOM 0 HD22 LEU A 50 4.204 8.832 -0.523 1.00 40.33 H new ATOM 0 HD23 LEU A 50 5.202 7.789 -1.564 1.00 40.33 H new ATOM 740 N GLU A 51 7.355 7.549 -2.836 1.00 51.24 N ATOM 741 CA GLU A 51 6.890 6.441 -3.607 1.00 20.43 C ATOM 742 C GLU A 51 6.636 5.233 -2.735 1.00 5.01 C ATOM 743 O GLU A 51 7.488 4.815 -1.939 1.00 32.14 O ATOM 744 CB GLU A 51 7.854 6.150 -4.748 1.00 10.10 C ATOM 745 CG GLU A 51 9.302 6.036 -4.321 1.00 21.22 C ATOM 746 CD GLU A 51 10.227 5.968 -5.488 1.00 25.13 C ATOM 747 OE1 GLU A 51 10.474 4.874 -5.995 1.00 13.15 O ATOM 748 OE2 GLU A 51 10.728 7.024 -5.936 1.00 72.22 O ATOM 0 H GLU A 51 8.021 7.303 -2.103 1.00 51.24 H new ATOM 0 HA GLU A 51 5.930 6.701 -4.053 1.00 20.43 H new ATOM 0 HB2 GLU A 51 7.555 5.221 -5.233 1.00 10.10 H new ATOM 0 HB3 GLU A 51 7.767 6.941 -5.493 1.00 10.10 H new ATOM 0 HG2 GLU A 51 9.565 6.892 -3.700 1.00 21.22 H new ATOM 0 HG3 GLU A 51 9.429 5.145 -3.706 1.00 21.22 H new ATOM 755 N ILE A 52 5.453 4.720 -2.841 1.00 62.14 N ATOM 756 CA ILE A 52 5.057 3.556 -2.116 1.00 62.31 C ATOM 757 C ILE A 52 5.124 2.373 -3.045 1.00 42.13 C ATOM 758 O ILE A 52 4.488 2.368 -4.097 1.00 34.10 O ATOM 759 CB ILE A 52 3.619 3.679 -1.566 1.00 23.22 C ATOM 760 CG1 ILE A 52 3.509 4.866 -0.603 1.00 64.52 C ATOM 761 CG2 ILE A 52 3.213 2.382 -0.883 1.00 25.40 C ATOM 762 CD1 ILE A 52 2.111 5.116 -0.066 1.00 12.31 C ATOM 0 H ILE A 52 4.724 5.103 -3.442 1.00 62.14 H new ATOM 0 HA ILE A 52 5.730 3.435 -1.267 1.00 62.31 H new ATOM 0 HB ILE A 52 2.937 3.861 -2.397 1.00 23.22 H new ATOM 0 HG12 ILE A 52 4.182 4.699 0.238 1.00 64.52 H new ATOM 0 HG13 ILE A 52 3.854 5.765 -1.114 1.00 64.52 H new ATOM 0 HG21 ILE A 52 2.198 2.476 -0.498 1.00 25.40 H new ATOM 0 HG22 ILE A 52 3.254 1.564 -1.602 1.00 25.40 H new ATOM 0 HG23 ILE A 52 3.896 2.175 -0.059 1.00 25.40 H new ATOM 0 HD11 ILE A 52 2.128 5.974 0.607 1.00 12.31 H new ATOM 0 HD12 ILE A 52 1.433 5.318 -0.895 1.00 12.31 H new ATOM 0 HD13 ILE A 52 1.767 4.236 0.477 1.00 12.31 H new ATOM 774 N ARG A 53 5.895 1.402 -2.685 1.00 14.24 N ATOM 775 CA ARG A 53 6.011 0.224 -3.484 1.00 4.01 C ATOM 776 C ARG A 53 5.258 -0.889 -2.778 1.00 13.31 C ATOM 777 O ARG A 53 5.699 -1.396 -1.732 1.00 55.05 O ATOM 778 CB ARG A 53 7.493 -0.109 -3.713 1.00 74.22 C ATOM 779 CG ARG A 53 8.268 1.055 -4.329 1.00 63.23 C ATOM 780 CD ARG A 53 9.728 0.726 -4.565 1.00 50.22 C ATOM 781 NE ARG A 53 10.460 1.873 -5.137 1.00 50.25 N ATOM 782 CZ ARG A 53 11.714 1.841 -5.617 1.00 52.11 C ATOM 783 NH1 ARG A 53 12.400 0.702 -5.653 1.00 2.43 N ATOM 784 NH2 ARG A 53 12.261 2.954 -6.075 1.00 65.41 N ATOM 0 H ARG A 53 6.459 1.400 -1.835 1.00 14.24 H new ATOM 0 HA ARG A 53 5.574 0.365 -4.472 1.00 4.01 H new ATOM 0 HB2 ARG A 53 7.951 -0.383 -2.763 1.00 74.22 H new ATOM 0 HB3 ARG A 53 7.570 -0.978 -4.366 1.00 74.22 H new ATOM 0 HG2 ARG A 53 7.805 1.334 -5.276 1.00 63.23 H new ATOM 0 HG3 ARG A 53 8.197 1.922 -3.672 1.00 63.23 H new ATOM 0 HD2 ARG A 53 10.192 0.431 -3.624 1.00 50.22 H new ATOM 0 HD3 ARG A 53 9.805 -0.127 -5.239 1.00 50.22 H new ATOM 0 HE ARG A 53 9.971 2.768 -5.171 1.00 50.25 H new ATOM 0 HH11 ARG A 53 11.974 -0.161 -5.314 1.00 2.43 H new ATOM 0 HH12 ARG A 53 13.352 0.691 -6.020 1.00 2.43 H new ATOM 0 HH21 ARG A 53 11.731 3.826 -6.062 1.00 65.41 H new ATOM 0 HH22 ARG A 53 13.213 2.941 -6.442 1.00 65.41 H new ATOM 798 N TRP A 54 4.123 -1.241 -3.325 1.00 51.44 N ATOM 799 CA TRP A 54 3.231 -2.182 -2.697 1.00 74.01 C ATOM 800 C TRP A 54 3.190 -3.526 -3.408 1.00 4.41 C ATOM 801 O TRP A 54 2.857 -3.629 -4.598 1.00 71.33 O ATOM 802 CB TRP A 54 1.805 -1.573 -2.544 1.00 31.41 C ATOM 803 CG TRP A 54 0.722 -2.548 -2.094 1.00 44.32 C ATOM 804 CD1 TRP A 54 -0.431 -2.850 -2.759 1.00 10.14 C ATOM 805 CD2 TRP A 54 0.708 -3.358 -0.905 1.00 4.12 C ATOM 806 NE1 TRP A 54 -1.158 -3.782 -2.057 1.00 63.23 N ATOM 807 CE2 TRP A 54 -0.482 -4.112 -0.922 1.00 41.00 C ATOM 808 CE3 TRP A 54 1.578 -3.516 0.161 1.00 32.53 C ATOM 809 CZ2 TRP A 54 -0.811 -5.010 0.091 1.00 15.04 C ATOM 810 CZ3 TRP A 54 1.256 -4.402 1.165 1.00 23.30 C ATOM 811 CH2 TRP A 54 0.071 -5.142 1.126 1.00 40.24 C ATOM 0 H TRP A 54 3.790 -0.883 -4.220 1.00 51.44 H new ATOM 0 HA TRP A 54 3.630 -2.380 -1.702 1.00 74.01 H new ATOM 0 HB2 TRP A 54 1.853 -0.754 -1.827 1.00 31.41 H new ATOM 0 HB3 TRP A 54 1.508 -1.142 -3.500 1.00 31.41 H new ATOM 0 HD1 TRP A 54 -0.730 -2.418 -3.703 1.00 10.14 H new ATOM 0 HE1 TRP A 54 -2.060 -4.165 -2.341 1.00 63.23 H new ATOM 0 HE3 TRP A 54 2.498 -2.951 0.204 1.00 32.53 H new ATOM 0 HZ2 TRP A 54 -1.728 -5.580 0.059 1.00 15.04 H new ATOM 0 HZ3 TRP A 54 1.932 -4.527 1.998 1.00 23.30 H new ATOM 0 HH2 TRP A 54 -0.151 -5.830 1.928 1.00 40.24 H new ATOM 822 N ASP A 55 3.530 -4.537 -2.664 1.00 41.44 N ATOM 823 CA ASP A 55 3.453 -5.911 -3.083 1.00 24.55 C ATOM 824 C ASP A 55 2.805 -6.661 -1.965 1.00 22.12 C ATOM 825 O ASP A 55 2.830 -6.184 -0.833 1.00 32.34 O ATOM 826 CB ASP A 55 4.829 -6.515 -3.431 1.00 25.10 C ATOM 827 CG ASP A 55 5.368 -6.054 -4.767 1.00 50.21 C ATOM 828 OD1 ASP A 55 4.996 -6.652 -5.806 1.00 1.34 O ATOM 829 OD2 ASP A 55 6.180 -5.100 -4.812 1.00 31.25 O ATOM 0 H ASP A 55 3.882 -4.426 -1.713 1.00 41.44 H new ATOM 0 HA ASP A 55 2.874 -5.981 -4.004 1.00 24.55 H new ATOM 0 HB2 ASP A 55 5.541 -6.251 -2.650 1.00 25.10 H new ATOM 0 HB3 ASP A 55 4.750 -7.602 -3.435 1.00 25.10 H new ATOM 834 N GLY A 56 2.232 -7.806 -2.259 1.00 4.04 N ATOM 835 CA GLY A 56 1.455 -8.569 -1.287 1.00 2.34 C ATOM 836 C GLY A 56 2.274 -9.192 -0.162 1.00 70.13 C ATOM 837 O GLY A 56 2.426 -10.422 -0.094 1.00 15.23 O ATOM 0 H GLY A 56 2.287 -8.242 -3.179 1.00 4.04 H new ATOM 0 HA2 GLY A 56 0.702 -7.913 -0.849 1.00 2.34 H new ATOM 0 HA3 GLY A 56 0.921 -9.362 -1.811 1.00 2.34 H new ATOM 841 N GLN A 57 2.804 -8.347 0.689 1.00 64.51 N ATOM 842 CA GLN A 57 3.521 -8.735 1.870 1.00 13.22 C ATOM 843 C GLN A 57 3.659 -7.501 2.756 1.00 53.33 C ATOM 844 O GLN A 57 2.998 -7.390 3.777 1.00 11.34 O ATOM 845 CB GLN A 57 4.901 -9.321 1.522 1.00 20.33 C ATOM 846 CG GLN A 57 5.622 -9.983 2.689 1.00 22.03 C ATOM 847 CD GLN A 57 4.834 -11.144 3.272 1.00 24.40 C ATOM 848 OE1 GLN A 57 4.956 -12.283 2.815 1.00 22.04 O ATOM 849 NE2 GLN A 57 4.052 -10.885 4.296 1.00 41.53 N ATOM 0 H GLN A 57 2.743 -7.336 0.570 1.00 64.51 H new ATOM 0 HA GLN A 57 2.974 -9.518 2.395 1.00 13.22 H new ATOM 0 HB2 GLN A 57 4.779 -10.054 0.725 1.00 20.33 H new ATOM 0 HB3 GLN A 57 5.531 -8.523 1.128 1.00 20.33 H new ATOM 0 HG2 GLN A 57 6.596 -10.340 2.355 1.00 22.03 H new ATOM 0 HG3 GLN A 57 5.803 -9.243 3.468 1.00 22.03 H new ATOM 0 HE21 GLN A 57 3.974 -9.931 4.650 1.00 41.53 H new ATOM 0 HE22 GLN A 57 3.523 -11.638 4.737 1.00 41.53 H new ATOM 858 N VAL A 58 4.481 -6.561 2.333 1.00 44.13 N ATOM 859 CA VAL A 58 4.680 -5.314 3.069 1.00 71.32 C ATOM 860 C VAL A 58 4.670 -4.128 2.123 1.00 62.22 C ATOM 861 O VAL A 58 5.032 -4.254 0.940 1.00 2.43 O ATOM 862 CB VAL A 58 6.000 -5.284 3.912 1.00 72.32 C ATOM 863 CG1 VAL A 58 5.947 -6.278 5.059 1.00 20.51 C ATOM 864 CG2 VAL A 58 7.225 -5.546 3.038 1.00 11.33 C ATOM 0 H VAL A 58 5.030 -6.632 1.476 1.00 44.13 H new ATOM 0 HA VAL A 58 3.847 -5.252 3.770 1.00 71.32 H new ATOM 0 HB VAL A 58 6.090 -4.282 4.333 1.00 72.32 H new ATOM 0 HG11 VAL A 58 6.878 -6.232 5.624 1.00 20.51 H new ATOM 0 HG12 VAL A 58 5.112 -6.032 5.715 1.00 20.51 H new ATOM 0 HG13 VAL A 58 5.813 -7.284 4.662 1.00 20.51 H new ATOM 0 HG21 VAL A 58 8.124 -5.518 3.654 1.00 11.33 H new ATOM 0 HG22 VAL A 58 7.135 -6.527 2.571 1.00 11.33 H new ATOM 0 HG23 VAL A 58 7.291 -4.780 2.265 1.00 11.33 H new ATOM 874 N ALA A 59 4.255 -2.995 2.626 1.00 52.43 N ATOM 875 CA ALA A 59 4.220 -1.790 1.844 1.00 65.34 C ATOM 876 C ALA A 59 5.451 -0.968 2.131 1.00 75.13 C ATOM 877 O ALA A 59 5.647 -0.469 3.252 1.00 61.54 O ATOM 878 CB ALA A 59 2.955 -1.000 2.118 1.00 65.01 C ATOM 0 H ALA A 59 3.933 -2.883 3.587 1.00 52.43 H new ATOM 0 HA ALA A 59 4.212 -2.053 0.786 1.00 65.34 H new ATOM 0 HB1 ALA A 59 2.954 -0.093 1.513 1.00 65.01 H new ATOM 0 HB2 ALA A 59 2.085 -1.606 1.864 1.00 65.01 H new ATOM 0 HB3 ALA A 59 2.915 -0.732 3.174 1.00 65.01 H new ATOM 884 N LEU A 60 6.278 -0.860 1.142 1.00 25.13 N ATOM 885 CA LEU A 60 7.525 -0.156 1.241 1.00 12.42 C ATOM 886 C LEU A 60 7.273 1.332 1.001 1.00 13.33 C ATOM 887 O LEU A 60 6.814 1.731 -0.077 1.00 41.34 O ATOM 888 CB LEU A 60 8.507 -0.763 0.204 1.00 5.53 C ATOM 889 CG LEU A 60 9.989 -0.321 0.207 1.00 71.00 C ATOM 890 CD1 LEU A 60 10.783 -1.259 -0.669 1.00 54.24 C ATOM 891 CD2 LEU A 60 10.162 1.092 -0.323 1.00 61.04 C ATOM 0 H LEU A 60 6.106 -1.265 0.222 1.00 25.13 H new ATOM 0 HA LEU A 60 7.969 -0.258 2.231 1.00 12.42 H new ATOM 0 HB2 LEU A 60 8.489 -1.845 0.332 1.00 5.53 H new ATOM 0 HB3 LEU A 60 8.106 -0.553 -0.787 1.00 5.53 H new ATOM 0 HG LEU A 60 10.341 -0.346 1.238 1.00 71.00 H new ATOM 0 HD11 LEU A 60 11.830 -0.955 -0.673 1.00 54.24 H new ATOM 0 HD12 LEU A 60 10.702 -2.275 -0.282 1.00 54.24 H new ATOM 0 HD13 LEU A 60 10.392 -1.226 -1.686 1.00 54.24 H new ATOM 0 HD21 LEU A 60 11.218 1.361 -0.303 1.00 61.04 H new ATOM 0 HD22 LEU A 60 9.794 1.144 -1.348 1.00 61.04 H new ATOM 0 HD23 LEU A 60 9.599 1.786 0.301 1.00 61.04 H new ATOM 903 N LEU A 61 7.553 2.121 1.999 1.00 43.42 N ATOM 904 CA LEU A 61 7.388 3.545 1.938 1.00 73.11 C ATOM 905 C LEU A 61 8.757 4.145 1.694 1.00 12.34 C ATOM 906 O LEU A 61 9.632 4.075 2.553 1.00 14.03 O ATOM 907 CB LEU A 61 6.782 4.030 3.291 1.00 25.32 C ATOM 908 CG LEU A 61 6.339 5.508 3.475 1.00 63.22 C ATOM 909 CD1 LEU A 61 7.497 6.505 3.436 1.00 52.54 C ATOM 910 CD2 LEU A 61 5.274 5.868 2.463 1.00 62.20 C ATOM 0 H LEU A 61 7.909 1.786 2.894 1.00 43.42 H new ATOM 0 HA LEU A 61 6.714 3.850 1.137 1.00 73.11 H new ATOM 0 HB2 LEU A 61 5.912 3.406 3.495 1.00 25.32 H new ATOM 0 HB3 LEU A 61 7.517 3.816 4.067 1.00 25.32 H new ATOM 0 HG LEU A 61 5.921 5.583 4.479 1.00 63.22 H new ATOM 0 HD11 LEU A 61 7.112 7.516 3.571 1.00 52.54 H new ATOM 0 HD12 LEU A 61 8.202 6.276 4.235 1.00 52.54 H new ATOM 0 HD13 LEU A 61 8.004 6.436 2.474 1.00 52.54 H new ATOM 0 HD21 LEU A 61 4.974 6.906 2.604 1.00 62.20 H new ATOM 0 HD22 LEU A 61 5.671 5.739 1.456 1.00 62.20 H new ATOM 0 HD23 LEU A 61 4.409 5.219 2.598 1.00 62.20 H new ATOM 922 N ALA A 62 8.964 4.673 0.529 1.00 31.13 N ATOM 923 CA ALA A 62 10.215 5.298 0.222 1.00 71.44 C ATOM 924 C ALA A 62 10.015 6.780 0.013 1.00 33.13 C ATOM 925 O ALA A 62 9.382 7.212 -0.959 1.00 44.11 O ATOM 926 CB ALA A 62 10.869 4.655 -0.990 1.00 32.54 C ATOM 0 H ALA A 62 8.281 4.685 -0.229 1.00 31.13 H new ATOM 0 HA ALA A 62 10.889 5.155 1.067 1.00 71.44 H new ATOM 0 HB1 ALA A 62 11.817 5.151 -1.198 1.00 32.54 H new ATOM 0 HB2 ALA A 62 11.049 3.599 -0.789 1.00 32.54 H new ATOM 0 HB3 ALA A 62 10.211 4.753 -1.853 1.00 32.54 H new ATOM 932 N ASP A 63 10.527 7.545 0.924 1.00 24.14 N ATOM 933 CA ASP A 63 10.453 8.992 0.864 1.00 12.32 C ATOM 934 C ASP A 63 11.538 9.491 -0.056 1.00 71.34 C ATOM 935 O ASP A 63 12.654 8.954 -0.053 1.00 33.01 O ATOM 936 CB ASP A 63 10.624 9.579 2.265 1.00 34.44 C ATOM 937 CG ASP A 63 10.847 11.072 2.260 1.00 71.41 C ATOM 938 OD1 ASP A 63 9.873 11.824 2.080 1.00 24.13 O ATOM 939 OD2 ASP A 63 12.001 11.497 2.455 1.00 3.04 O ATOM 0 H ASP A 63 11.017 7.190 1.745 1.00 24.14 H new ATOM 0 HA ASP A 63 9.481 9.303 0.481 1.00 12.32 H new ATOM 0 HB2 ASP A 63 9.738 9.352 2.858 1.00 34.44 H new ATOM 0 HB3 ASP A 63 11.468 9.094 2.755 1.00 34.44 H new ATOM 944 N LEU A 64 11.224 10.427 -0.895 1.00 1.52 N ATOM 945 CA LEU A 64 12.204 10.949 -1.806 1.00 4.13 C ATOM 946 C LEU A 64 12.593 12.346 -1.349 1.00 52.11 C ATOM 947 O LEU A 64 11.819 13.293 -1.488 1.00 75.12 O ATOM 948 CB LEU A 64 11.649 10.932 -3.256 1.00 70.13 C ATOM 949 CG LEU A 64 12.641 11.114 -4.448 1.00 14.11 C ATOM 950 CD1 LEU A 64 13.318 12.476 -4.469 1.00 55.15 C ATOM 951 CD2 LEU A 64 13.669 10.006 -4.466 1.00 63.40 C ATOM 0 H LEU A 64 10.298 10.848 -0.971 1.00 1.52 H new ATOM 0 HA LEU A 64 13.099 10.327 -1.807 1.00 4.13 H new ATOM 0 HB2 LEU A 64 11.133 9.983 -3.400 1.00 70.13 H new ATOM 0 HB3 LEU A 64 10.898 11.718 -3.330 1.00 70.13 H new ATOM 0 HG LEU A 64 12.039 11.058 -5.355 1.00 14.11 H new ATOM 0 HD11 LEU A 64 13.993 12.534 -5.323 1.00 55.15 H new ATOM 0 HD12 LEU A 64 12.562 13.257 -4.551 1.00 55.15 H new ATOM 0 HD13 LEU A 64 13.885 12.615 -3.548 1.00 55.15 H new ATOM 0 HD21 LEU A 64 14.349 10.154 -5.305 1.00 63.40 H new ATOM 0 HD22 LEU A 64 14.234 10.019 -3.534 1.00 63.40 H new ATOM 0 HD23 LEU A 64 13.166 9.045 -4.572 1.00 63.40 H new ATOM 963 N ASN A 65 13.793 12.442 -0.790 1.00 70.04 N ATOM 964 CA ASN A 65 14.362 13.696 -0.284 1.00 33.42 C ATOM 965 C ASN A 65 13.638 14.169 0.960 1.00 61.32 C ATOM 966 O ASN A 65 12.692 14.928 0.894 1.00 53.34 O ATOM 967 CB ASN A 65 14.447 14.804 -1.366 1.00 74.13 C ATOM 968 CG ASN A 65 15.025 16.110 -0.842 1.00 42.21 C ATOM 969 OD1 ASN A 65 14.301 17.021 -0.423 1.00 41.24 O ATOM 970 ND2 ASN A 65 16.326 16.204 -0.833 1.00 5.10 N ATOM 0 H ASN A 65 14.412 11.640 -0.671 1.00 70.04 H new ATOM 0 HA ASN A 65 15.392 13.478 -0.003 1.00 33.42 H new ATOM 0 HB2 ASN A 65 15.061 14.448 -2.193 1.00 74.13 H new ATOM 0 HB3 ASN A 65 13.450 14.990 -1.766 1.00 74.13 H new ATOM 0 HD21 ASN A 65 16.774 17.047 -0.473 1.00 5.10 H new ATOM 0 HD22 ASN A 65 16.895 15.435 -1.186 1.00 5.10 H new ATOM 977 N SER A 66 14.124 13.717 2.093 1.00 53.44 N ATOM 978 CA SER A 66 13.518 13.981 3.384 1.00 53.52 C ATOM 979 C SER A 66 13.644 15.451 3.782 1.00 24.44 C ATOM 980 O SER A 66 12.925 15.922 4.664 1.00 33.24 O ATOM 981 CB SER A 66 14.167 13.084 4.410 1.00 73.34 C ATOM 982 OG SER A 66 14.192 11.739 3.934 1.00 41.24 O ATOM 0 H SER A 66 14.967 13.145 2.148 1.00 53.44 H new ATOM 0 HA SER A 66 12.451 13.768 3.327 1.00 53.52 H new ATOM 0 HB2 SER A 66 15.182 13.425 4.614 1.00 73.34 H new ATOM 0 HB3 SER A 66 13.618 13.136 5.350 1.00 73.34 H new ATOM 0 HG SER A 66 13.366 11.551 3.442 1.00 41.24 H new ATOM 988 N THR A 67 14.567 16.155 3.129 1.00 15.45 N ATOM 989 CA THR A 67 14.758 17.593 3.276 1.00 54.45 C ATOM 990 C THR A 67 13.412 18.337 3.213 1.00 32.10 C ATOM 991 O THR A 67 13.055 19.099 4.112 1.00 12.12 O ATOM 992 CB THR A 67 15.680 18.076 2.122 1.00 71.43 C ATOM 993 OG1 THR A 67 17.021 17.606 2.325 1.00 52.00 O ATOM 994 CG2 THR A 67 15.637 19.593 1.894 1.00 51.24 C ATOM 0 H THR A 67 15.217 15.729 2.468 1.00 15.45 H new ATOM 0 HA THR A 67 15.210 17.804 4.245 1.00 54.45 H new ATOM 0 HB THR A 67 15.289 17.638 1.203 1.00 71.43 H new ATOM 0 HG1 THR A 67 17.591 17.916 1.590 1.00 52.00 H new ATOM 0 HG21 THR A 67 16.305 19.857 1.074 1.00 51.24 H new ATOM 0 HG22 THR A 67 14.620 19.895 1.645 1.00 51.24 H new ATOM 0 HG23 THR A 67 15.956 20.106 2.801 1.00 51.24 H new ATOM 1002 N ASN A 68 12.694 18.080 2.172 1.00 13.10 N ATOM 1003 CA ASN A 68 11.415 18.689 1.917 1.00 41.12 C ATOM 1004 C ASN A 68 10.409 17.553 1.786 1.00 40.52 C ATOM 1005 O ASN A 68 9.356 17.676 1.171 1.00 40.31 O ATOM 1006 CB ASN A 68 11.567 19.477 0.610 1.00 72.40 C ATOM 1007 CG ASN A 68 10.345 20.222 0.138 1.00 44.45 C ATOM 1008 OD1 ASN A 68 9.511 20.691 0.922 1.00 22.32 O ATOM 1009 ND2 ASN A 68 10.254 20.365 -1.148 1.00 65.25 N ATOM 0 H ASN A 68 12.982 17.422 1.448 1.00 13.10 H new ATOM 0 HA ASN A 68 11.077 19.365 2.702 1.00 41.12 H new ATOM 0 HB2 ASN A 68 12.379 20.194 0.734 1.00 72.40 H new ATOM 0 HB3 ASN A 68 11.871 18.784 -0.175 1.00 72.40 H new ATOM 0 HD21 ASN A 68 9.471 20.881 -1.550 1.00 65.25 H new ATOM 0 HD22 ASN A 68 10.965 19.961 -1.758 1.00 65.25 H new ATOM 1016 N GLY A 69 10.733 16.464 2.446 1.00 42.24 N ATOM 1017 CA GLY A 69 10.012 15.238 2.272 1.00 62.41 C ATOM 1018 C GLY A 69 8.930 14.968 3.274 1.00 21.35 C ATOM 1019 O GLY A 69 8.231 15.883 3.755 1.00 45.02 O ATOM 0 H GLY A 69 11.502 16.410 3.114 1.00 42.24 H new ATOM 0 HA2 GLY A 69 9.567 15.238 1.277 1.00 62.41 H new ATOM 0 HA3 GLY A 69 10.724 14.413 2.303 1.00 62.41 H new ATOM 1023 N THR A 70 8.795 13.729 3.579 1.00 74.51 N ATOM 1024 CA THR A 70 7.713 13.207 4.341 1.00 32.43 C ATOM 1025 C THR A 70 8.128 12.801 5.770 1.00 53.24 C ATOM 1026 O THR A 70 9.303 12.541 6.062 1.00 62.51 O ATOM 1027 CB THR A 70 7.226 11.969 3.591 1.00 73.33 C ATOM 1028 OG1 THR A 70 7.185 12.281 2.188 1.00 72.43 O ATOM 1029 CG2 THR A 70 5.851 11.545 4.050 1.00 70.13 C ATOM 0 H THR A 70 9.465 13.016 3.292 1.00 74.51 H new ATOM 0 HA THR A 70 6.944 13.972 4.449 1.00 32.43 H new ATOM 0 HB THR A 70 7.910 11.144 3.791 1.00 73.33 H new ATOM 0 HG1 THR A 70 8.076 12.157 1.799 1.00 72.43 H new ATOM 0 HG21 THR A 70 5.538 10.661 3.494 1.00 70.13 H new ATOM 0 HG22 THR A 70 5.878 11.313 5.115 1.00 70.13 H new ATOM 0 HG23 THR A 70 5.143 12.354 3.873 1.00 70.13 H new ATOM 1037 N THR A 71 7.157 12.778 6.646 1.00 32.44 N ATOM 1038 CA THR A 71 7.326 12.319 7.977 1.00 73.30 C ATOM 1039 C THR A 71 6.421 11.134 8.229 1.00 42.51 C ATOM 1040 O THR A 71 5.293 11.093 7.743 1.00 11.33 O ATOM 1041 CB THR A 71 7.011 13.429 8.981 1.00 43.30 C ATOM 1042 OG1 THR A 71 5.841 14.146 8.573 1.00 70.33 O ATOM 1043 CG2 THR A 71 8.160 14.367 9.101 1.00 52.51 C ATOM 0 H THR A 71 6.208 13.088 6.436 1.00 32.44 H new ATOM 0 HA THR A 71 8.366 12.020 8.107 1.00 73.30 H new ATOM 0 HB THR A 71 6.829 12.971 9.953 1.00 43.30 H new ATOM 0 HG1 THR A 71 5.463 14.620 9.343 1.00 70.33 H new ATOM 0 HG21 THR A 71 7.917 15.150 9.820 1.00 52.51 H new ATOM 0 HG22 THR A 71 9.040 13.822 9.442 1.00 52.51 H new ATOM 0 HG23 THR A 71 8.365 14.817 8.130 1.00 52.51 H new ATOM 1051 N VAL A 72 6.913 10.175 8.943 1.00 10.32 N ATOM 1052 CA VAL A 72 6.142 9.030 9.306 1.00 33.34 C ATOM 1053 C VAL A 72 5.979 9.043 10.807 1.00 50.42 C ATOM 1054 O VAL A 72 6.960 9.040 11.554 1.00 45.33 O ATOM 1055 CB VAL A 72 6.780 7.704 8.811 1.00 22.55 C ATOM 1056 CG1 VAL A 72 6.844 7.694 7.292 1.00 0.21 C ATOM 1057 CG2 VAL A 72 8.172 7.526 9.376 1.00 70.23 C ATOM 0 H VAL A 72 7.870 10.164 9.294 1.00 10.32 H new ATOM 0 HA VAL A 72 5.168 9.080 8.820 1.00 33.34 H new ATOM 0 HB VAL A 72 6.157 6.879 9.158 1.00 22.55 H new ATOM 0 HG11 VAL A 72 7.293 6.760 6.953 1.00 0.21 H new ATOM 0 HG12 VAL A 72 5.837 7.781 6.885 1.00 0.21 H new ATOM 0 HG13 VAL A 72 7.448 8.533 6.948 1.00 0.21 H new ATOM 0 HG21 VAL A 72 8.595 6.589 9.013 1.00 70.23 H new ATOM 0 HG22 VAL A 72 8.803 8.356 9.058 1.00 70.23 H new ATOM 0 HG23 VAL A 72 8.123 7.504 10.465 1.00 70.23 H new ATOM 1067 N ASN A 73 4.756 9.183 11.238 1.00 72.12 N ATOM 1068 CA ASN A 73 4.412 9.306 12.655 1.00 34.30 C ATOM 1069 C ASN A 73 5.090 10.557 13.230 1.00 71.25 C ATOM 1070 O ASN A 73 5.394 10.642 14.419 1.00 31.53 O ATOM 1071 CB ASN A 73 4.774 8.021 13.435 1.00 4.41 C ATOM 1072 CG ASN A 73 3.948 6.823 12.978 1.00 33.24 C ATOM 1073 OD1 ASN A 73 2.805 6.967 12.562 1.00 52.10 O ATOM 1074 ND2 ASN A 73 4.519 5.646 13.031 1.00 35.11 N ATOM 0 H ASN A 73 3.948 9.217 10.617 1.00 72.12 H new ATOM 0 HA ASN A 73 3.334 9.424 12.761 1.00 34.30 H new ATOM 0 HB2 ASN A 73 5.834 7.803 13.302 1.00 4.41 H new ATOM 0 HB3 ASN A 73 4.614 8.186 14.500 1.00 4.41 H new ATOM 0 HD21 ASN A 73 4.010 4.818 12.721 1.00 35.11 H new ATOM 0 HD22 ASN A 73 5.472 5.557 13.382 1.00 35.11 H new ATOM 1081 N ASN A 74 5.288 11.530 12.312 1.00 54.33 N ATOM 1082 CA ASN A 74 5.904 12.854 12.533 1.00 4.03 C ATOM 1083 C ASN A 74 7.451 12.771 12.530 1.00 45.31 C ATOM 1084 O ASN A 74 8.147 13.776 12.662 1.00 53.24 O ATOM 1085 CB ASN A 74 5.370 13.558 13.808 1.00 30.42 C ATOM 1086 CG ASN A 74 5.401 15.088 13.732 1.00 34.02 C ATOM 1087 OD1 ASN A 74 6.210 15.697 13.026 1.00 32.35 O ATOM 1088 ND2 ASN A 74 4.517 15.717 14.451 1.00 52.10 N ATOM 0 H ASN A 74 5.005 11.402 11.340 1.00 54.33 H new ATOM 0 HA ASN A 74 5.606 13.478 11.690 1.00 4.03 H new ATOM 0 HB2 ASN A 74 4.345 13.234 13.988 1.00 30.42 H new ATOM 0 HB3 ASN A 74 5.962 13.235 14.664 1.00 30.42 H new ATOM 0 HD21 ASN A 74 4.482 16.736 14.439 1.00 52.10 H new ATOM 0 HD22 ASN A 74 3.859 15.191 15.026 1.00 52.10 H new ATOM 1095 N ALA A 75 7.985 11.584 12.338 1.00 3.32 N ATOM 1096 CA ALA A 75 9.426 11.403 12.288 1.00 53.44 C ATOM 1097 C ALA A 75 9.894 11.375 10.827 1.00 51.13 C ATOM 1098 O ALA A 75 9.414 10.559 10.044 1.00 72.32 O ATOM 1099 CB ALA A 75 9.821 10.109 12.998 1.00 74.14 C ATOM 0 H ALA A 75 7.445 10.727 12.214 1.00 3.32 H new ATOM 0 HA ALA A 75 9.908 12.237 12.798 1.00 53.44 H new ATOM 0 HB1 ALA A 75 10.903 9.985 12.953 1.00 74.14 H new ATOM 0 HB2 ALA A 75 9.504 10.154 14.040 1.00 74.14 H new ATOM 0 HB3 ALA A 75 9.339 9.263 12.508 1.00 74.14 H new ATOM 1105 N PRO A 76 10.794 12.280 10.414 1.00 24.33 N ATOM 1106 CA PRO A 76 11.304 12.299 9.044 1.00 44.04 C ATOM 1107 C PRO A 76 12.302 11.174 8.820 1.00 55.32 C ATOM 1108 O PRO A 76 13.272 11.027 9.573 1.00 62.42 O ATOM 1109 CB PRO A 76 12.005 13.663 8.909 1.00 70.01 C ATOM 1110 CG PRO A 76 11.773 14.381 10.203 1.00 75.15 C ATOM 1111 CD PRO A 76 11.393 13.342 11.225 1.00 31.22 C ATOM 0 HA PRO A 76 10.508 12.160 8.312 1.00 44.04 H new ATOM 0 HB2 PRO A 76 13.071 13.536 8.720 1.00 70.01 H new ATOM 0 HB3 PRO A 76 11.598 14.229 8.071 1.00 70.01 H new ATOM 0 HG2 PRO A 76 12.671 14.916 10.513 1.00 75.15 H new ATOM 0 HG3 PRO A 76 10.982 15.123 10.095 1.00 75.15 H new ATOM 0 HD2 PRO A 76 12.261 12.985 11.779 1.00 31.22 H new ATOM 0 HD3 PRO A 76 10.688 13.736 11.957 1.00 31.22 H new ATOM 1119 N VAL A 77 12.052 10.374 7.819 1.00 52.10 N ATOM 1120 CA VAL A 77 12.909 9.255 7.476 1.00 63.25 C ATOM 1121 C VAL A 77 12.951 9.144 5.974 1.00 72.44 C ATOM 1122 O VAL A 77 12.085 9.671 5.304 1.00 62.51 O ATOM 1123 CB VAL A 77 12.405 7.894 8.063 1.00 61.23 C ATOM 1124 CG1 VAL A 77 12.388 7.895 9.588 1.00 51.03 C ATOM 1125 CG2 VAL A 77 11.032 7.549 7.517 1.00 65.40 C ATOM 0 H VAL A 77 11.241 10.476 7.208 1.00 52.10 H new ATOM 0 HA VAL A 77 13.893 9.446 7.905 1.00 63.25 H new ATOM 0 HB VAL A 77 13.113 7.128 7.747 1.00 61.23 H new ATOM 0 HG11 VAL A 77 12.031 6.930 9.949 1.00 51.03 H new ATOM 0 HG12 VAL A 77 13.396 8.072 9.963 1.00 51.03 H new ATOM 0 HG13 VAL A 77 11.725 8.683 9.944 1.00 51.03 H new ATOM 0 HG21 VAL A 77 10.701 6.600 7.938 1.00 65.40 H new ATOM 0 HG22 VAL A 77 10.325 8.333 7.789 1.00 65.40 H new ATOM 0 HG23 VAL A 77 11.082 7.467 6.431 1.00 65.40 H new ATOM 1135 N GLN A 78 13.935 8.454 5.460 1.00 1.42 N ATOM 1136 CA GLN A 78 14.089 8.297 4.024 1.00 13.42 C ATOM 1137 C GLN A 78 13.313 7.077 3.504 1.00 54.25 C ATOM 1138 O GLN A 78 13.038 6.958 2.309 1.00 12.31 O ATOM 1139 CB GLN A 78 15.587 8.239 3.626 1.00 32.33 C ATOM 1140 CG GLN A 78 16.382 6.987 4.054 1.00 33.44 C ATOM 1141 CD GLN A 78 16.426 6.719 5.554 1.00 62.15 C ATOM 1142 OE1 GLN A 78 16.352 7.629 6.378 1.00 44.23 O ATOM 1143 NE2 GLN A 78 16.566 5.486 5.909 1.00 32.21 N ATOM 0 H GLN A 78 14.652 7.985 6.014 1.00 1.42 H new ATOM 0 HA GLN A 78 13.658 9.176 3.546 1.00 13.42 H new ATOM 0 HB2 GLN A 78 15.652 8.326 2.541 1.00 32.33 H new ATOM 0 HB3 GLN A 78 16.083 9.114 4.046 1.00 32.33 H new ATOM 0 HG2 GLN A 78 15.950 6.117 3.560 1.00 33.44 H new ATOM 0 HG3 GLN A 78 17.405 7.085 3.690 1.00 33.44 H new ATOM 0 HE21 GLN A 78 16.624 4.755 5.200 1.00 32.21 H new ATOM 0 HE22 GLN A 78 16.618 5.243 6.898 1.00 32.21 H new ATOM 1152 N GLU A 79 12.969 6.180 4.402 1.00 3.05 N ATOM 1153 CA GLU A 79 12.199 4.999 4.071 1.00 3.35 C ATOM 1154 C GLU A 79 11.596 4.428 5.335 1.00 2.13 C ATOM 1155 O GLU A 79 12.143 4.625 6.433 1.00 73.32 O ATOM 1156 CB GLU A 79 13.038 3.947 3.319 1.00 54.14 C ATOM 1157 CG GLU A 79 14.258 3.447 4.058 1.00 74.44 C ATOM 1158 CD GLU A 79 15.031 2.454 3.241 1.00 30.03 C ATOM 1159 OE1 GLU A 79 15.918 2.868 2.466 1.00 71.12 O ATOM 1160 OE2 GLU A 79 14.771 1.236 3.353 1.00 3.21 O ATOM 0 H GLU A 79 13.217 6.249 5.389 1.00 3.05 H new ATOM 0 HA GLU A 79 11.399 5.288 3.390 1.00 3.35 H new ATOM 0 HB2 GLU A 79 12.399 3.095 3.087 1.00 54.14 H new ATOM 0 HB3 GLU A 79 13.358 4.373 2.368 1.00 54.14 H new ATOM 0 HG2 GLU A 79 14.901 4.290 4.311 1.00 74.44 H new ATOM 0 HG3 GLU A 79 13.952 2.986 4.997 1.00 74.44 H new ATOM 1167 N TRP A 80 10.487 3.760 5.192 1.00 14.40 N ATOM 1168 CA TRP A 80 9.747 3.226 6.302 1.00 30.41 C ATOM 1169 C TRP A 80 8.937 2.040 5.817 1.00 75.42 C ATOM 1170 O TRP A 80 8.613 1.940 4.635 1.00 34.41 O ATOM 1171 CB TRP A 80 8.828 4.350 6.844 1.00 75.20 C ATOM 1172 CG TRP A 80 7.945 4.028 8.022 1.00 3.41 C ATOM 1173 CD1 TRP A 80 6.632 3.679 7.983 1.00 72.12 C ATOM 1174 CD2 TRP A 80 8.296 4.086 9.406 1.00 70.30 C ATOM 1175 NE1 TRP A 80 6.151 3.496 9.249 1.00 11.21 N ATOM 1176 CE2 TRP A 80 7.149 3.742 10.141 1.00 72.51 C ATOM 1177 CE3 TRP A 80 9.469 4.389 10.095 1.00 3.24 C ATOM 1178 CZ2 TRP A 80 7.141 3.694 11.525 1.00 5.41 C ATOM 1179 CZ3 TRP A 80 9.457 4.342 11.473 1.00 63.54 C ATOM 1180 CH2 TRP A 80 8.298 3.997 12.173 1.00 72.34 C ATOM 0 H TRP A 80 10.063 3.567 4.284 1.00 14.40 H new ATOM 0 HA TRP A 80 10.406 2.887 7.101 1.00 30.41 H new ATOM 0 HB2 TRP A 80 9.459 5.195 7.119 1.00 75.20 H new ATOM 0 HB3 TRP A 80 8.188 4.683 6.027 1.00 75.20 H new ATOM 0 HD1 TRP A 80 6.051 3.563 7.080 1.00 72.12 H new ATOM 0 HE1 TRP A 80 5.198 3.220 9.487 1.00 11.21 H new ATOM 0 HE3 TRP A 80 10.369 4.655 9.561 1.00 3.24 H new ATOM 0 HZ2 TRP A 80 6.248 3.426 12.070 1.00 5.41 H new ATOM 0 HZ3 TRP A 80 10.358 4.576 12.020 1.00 63.54 H new ATOM 0 HH2 TRP A 80 8.321 3.970 13.252 1.00 72.34 H new ATOM 1191 N GLN A 81 8.679 1.130 6.689 1.00 35.32 N ATOM 1192 CA GLN A 81 7.825 0.013 6.390 1.00 0.43 C ATOM 1193 C GLN A 81 6.479 0.292 7.009 1.00 5.00 C ATOM 1194 O GLN A 81 6.348 0.310 8.243 1.00 31.55 O ATOM 1195 CB GLN A 81 8.399 -1.335 6.897 1.00 21.43 C ATOM 1196 CG GLN A 81 9.683 -1.812 6.193 1.00 52.41 C ATOM 1197 CD GLN A 81 10.910 -0.966 6.493 1.00 52.44 C ATOM 1198 OE1 GLN A 81 11.047 -0.396 7.580 1.00 14.15 O ATOM 1199 NE2 GLN A 81 11.792 -0.852 5.535 1.00 12.43 N ATOM 0 H GLN A 81 9.052 1.131 7.638 1.00 35.32 H new ATOM 0 HA GLN A 81 7.743 -0.093 5.308 1.00 0.43 H new ATOM 0 HB2 GLN A 81 8.602 -1.246 7.964 1.00 21.43 H new ATOM 0 HB3 GLN A 81 7.634 -2.103 6.781 1.00 21.43 H new ATOM 0 HG2 GLN A 81 9.885 -2.842 6.488 1.00 52.41 H new ATOM 0 HG3 GLN A 81 9.513 -1.817 5.116 1.00 52.41 H new ATOM 0 HE21 GLN A 81 11.648 -1.336 4.649 1.00 12.43 H new ATOM 0 HE22 GLN A 81 12.624 -0.279 5.673 1.00 12.43 H new ATOM 1208 N LEU A 82 5.507 0.582 6.160 1.00 71.23 N ATOM 1209 CA LEU A 82 4.156 0.944 6.587 1.00 33.24 C ATOM 1210 C LEU A 82 3.506 -0.151 7.409 1.00 73.44 C ATOM 1211 O LEU A 82 3.762 -1.348 7.193 1.00 33.42 O ATOM 1212 CB LEU A 82 3.262 1.207 5.371 1.00 64.24 C ATOM 1213 CG LEU A 82 3.692 2.321 4.430 1.00 62.23 C ATOM 1214 CD1 LEU A 82 2.716 2.462 3.273 1.00 11.24 C ATOM 1215 CD2 LEU A 82 3.808 3.621 5.175 1.00 42.31 C ATOM 0 H LEU A 82 5.629 0.574 5.147 1.00 71.23 H new ATOM 0 HA LEU A 82 4.256 1.841 7.198 1.00 33.24 H new ATOM 0 HB2 LEU A 82 3.192 0.284 4.795 1.00 64.24 H new ATOM 0 HB3 LEU A 82 2.259 1.435 5.730 1.00 64.24 H new ATOM 0 HG LEU A 82 4.669 2.062 4.022 1.00 62.23 H new ATOM 0 HD11 LEU A 82 3.046 3.265 2.614 1.00 11.24 H new ATOM 0 HD12 LEU A 82 2.677 1.527 2.714 1.00 11.24 H new ATOM 0 HD13 LEU A 82 1.724 2.695 3.660 1.00 11.24 H new ATOM 0 HD21 LEU A 82 4.117 4.408 4.487 1.00 42.31 H new ATOM 0 HD22 LEU A 82 2.843 3.878 5.611 1.00 42.31 H new ATOM 0 HD23 LEU A 82 4.549 3.521 5.968 1.00 42.31 H new ATOM 1227 N ALA A 83 2.697 0.258 8.342 1.00 53.44 N ATOM 1228 CA ALA A 83 1.891 -0.625 9.133 1.00 54.15 C ATOM 1229 C ALA A 83 0.635 0.127 9.531 1.00 4.24 C ATOM 1230 O ALA A 83 0.547 1.348 9.303 1.00 24.00 O ATOM 1231 CB ALA A 83 2.649 -1.100 10.351 1.00 43.50 C ATOM 0 H ALA A 83 2.576 1.242 8.580 1.00 53.44 H new ATOM 0 HA ALA A 83 1.628 -1.513 8.558 1.00 54.15 H new ATOM 0 HB1 ALA A 83 2.017 -1.769 10.935 1.00 43.50 H new ATOM 0 HB2 ALA A 83 3.547 -1.632 10.036 1.00 43.50 H new ATOM 0 HB3 ALA A 83 2.931 -0.242 10.961 1.00 43.50 H new ATOM 1237 N ASP A 84 -0.326 -0.567 10.103 1.00 72.11 N ATOM 1238 CA ASP A 84 -1.596 0.055 10.480 1.00 62.35 C ATOM 1239 C ASP A 84 -1.399 1.072 11.584 1.00 52.41 C ATOM 1240 O ASP A 84 -0.747 0.789 12.592 1.00 52.21 O ATOM 1241 CB ASP A 84 -2.622 -0.984 10.933 1.00 42.13 C ATOM 1242 CG ASP A 84 -3.973 -0.361 11.224 1.00 43.50 C ATOM 1243 OD1 ASP A 84 -4.754 -0.169 10.280 1.00 54.31 O ATOM 1244 OD2 ASP A 84 -4.284 -0.073 12.393 1.00 54.13 O ATOM 0 H ASP A 84 -0.261 -1.561 10.321 1.00 72.11 H new ATOM 0 HA ASP A 84 -1.975 0.557 9.590 1.00 62.35 H new ATOM 0 HB2 ASP A 84 -2.733 -1.745 10.160 1.00 42.13 H new ATOM 0 HB3 ASP A 84 -2.256 -1.489 11.827 1.00 42.13 H new ATOM 1249 N GLY A 85 -1.903 2.257 11.365 1.00 64.24 N ATOM 1250 CA GLY A 85 -1.839 3.285 12.368 1.00 33.45 C ATOM 1251 C GLY A 85 -0.710 4.256 12.142 1.00 64.33 C ATOM 1252 O GLY A 85 -0.486 5.155 12.960 1.00 21.13 O ATOM 0 H GLY A 85 -2.364 2.534 10.498 1.00 64.24 H new ATOM 0 HA2 GLY A 85 -2.783 3.830 12.383 1.00 33.45 H new ATOM 0 HA3 GLY A 85 -1.723 2.822 13.348 1.00 33.45 H new ATOM 1256 N ASP A 86 0.023 4.087 11.059 1.00 31.45 N ATOM 1257 CA ASP A 86 1.121 5.002 10.766 1.00 31.13 C ATOM 1258 C ASP A 86 0.615 6.220 10.034 1.00 34.50 C ATOM 1259 O ASP A 86 -0.195 6.108 9.097 1.00 40.20 O ATOM 1260 CB ASP A 86 2.272 4.346 9.976 1.00 35.51 C ATOM 1261 CG ASP A 86 3.054 3.308 10.761 1.00 63.44 C ATOM 1262 OD1 ASP A 86 3.058 3.348 12.023 1.00 51.14 O ATOM 1263 OD2 ASP A 86 3.715 2.458 10.133 1.00 13.40 O ATOM 0 H ASP A 86 -0.113 3.342 10.376 1.00 31.45 H new ATOM 0 HA ASP A 86 1.535 5.298 11.730 1.00 31.13 H new ATOM 0 HB2 ASP A 86 1.862 3.876 9.082 1.00 35.51 H new ATOM 0 HB3 ASP A 86 2.958 5.124 9.641 1.00 35.51 H new ATOM 1268 N VAL A 87 1.058 7.372 10.473 1.00 24.42 N ATOM 1269 CA VAL A 87 0.664 8.632 9.869 1.00 41.45 C ATOM 1270 C VAL A 87 1.769 9.124 8.965 1.00 53.31 C ATOM 1271 O VAL A 87 2.858 9.430 9.419 1.00 25.11 O ATOM 1272 CB VAL A 87 0.369 9.732 10.924 1.00 20.23 C ATOM 1273 CG1 VAL A 87 -0.111 11.015 10.242 1.00 53.13 C ATOM 1274 CG2 VAL A 87 -0.655 9.252 11.939 1.00 71.42 C ATOM 0 H VAL A 87 1.702 7.469 11.258 1.00 24.42 H new ATOM 0 HA VAL A 87 -0.252 8.444 9.309 1.00 41.45 H new ATOM 0 HB VAL A 87 1.296 9.948 11.455 1.00 20.23 H new ATOM 0 HG11 VAL A 87 -0.313 11.775 10.997 1.00 53.13 H new ATOM 0 HG12 VAL A 87 0.660 11.376 9.561 1.00 53.13 H new ATOM 0 HG13 VAL A 87 -1.023 10.810 9.681 1.00 53.13 H new ATOM 0 HG21 VAL A 87 -0.844 10.041 12.667 1.00 71.42 H new ATOM 0 HG22 VAL A 87 -1.584 9.000 11.427 1.00 71.42 H new ATOM 0 HG23 VAL A 87 -0.273 8.369 12.452 1.00 71.42 H new ATOM 1284 N ILE A 88 1.497 9.182 7.715 1.00 73.33 N ATOM 1285 CA ILE A 88 2.447 9.644 6.752 1.00 40.42 C ATOM 1286 C ILE A 88 2.076 11.081 6.395 1.00 4.42 C ATOM 1287 O ILE A 88 1.026 11.333 5.795 1.00 25.30 O ATOM 1288 CB ILE A 88 2.480 8.709 5.469 1.00 44.22 C ATOM 1289 CG1 ILE A 88 3.164 7.338 5.743 1.00 1.23 C ATOM 1290 CG2 ILE A 88 3.160 9.383 4.292 1.00 33.12 C ATOM 1291 CD1 ILE A 88 2.501 6.442 6.772 1.00 71.43 C ATOM 0 H ILE A 88 0.598 8.908 7.318 1.00 73.33 H new ATOM 0 HA ILE A 88 3.453 9.611 7.170 1.00 40.42 H new ATOM 0 HB ILE A 88 1.435 8.526 5.218 1.00 44.22 H new ATOM 0 HG12 ILE A 88 3.221 6.792 4.802 1.00 1.23 H new ATOM 0 HG13 ILE A 88 4.188 7.526 6.065 1.00 1.23 H new ATOM 0 HG21 ILE A 88 3.160 8.708 3.436 1.00 33.12 H new ATOM 0 HG22 ILE A 88 2.622 10.295 4.034 1.00 33.12 H new ATOM 0 HG23 ILE A 88 4.187 9.631 4.559 1.00 33.12 H new ATOM 0 HD11 ILE A 88 3.072 5.519 6.872 1.00 71.43 H new ATOM 0 HD12 ILE A 88 2.468 6.954 7.733 1.00 71.43 H new ATOM 0 HD13 ILE A 88 1.486 6.208 6.451 1.00 71.43 H new ATOM 1303 N ARG A 89 2.878 12.025 6.820 1.00 34.11 N ATOM 1304 CA ARG A 89 2.581 13.393 6.552 1.00 42.23 C ATOM 1305 C ARG A 89 3.565 13.954 5.564 1.00 44.32 C ATOM 1306 O ARG A 89 4.768 13.983 5.799 1.00 2.45 O ATOM 1307 CB ARG A 89 2.533 14.227 7.831 1.00 54.11 C ATOM 1308 CG ARG A 89 2.222 15.698 7.583 1.00 1.12 C ATOM 1309 CD ARG A 89 2.176 16.487 8.874 1.00 42.35 C ATOM 1310 NE ARG A 89 3.396 16.303 9.663 1.00 1.44 N ATOM 1311 CZ ARG A 89 4.405 17.171 9.742 1.00 24.50 C ATOM 1312 NH1 ARG A 89 4.409 18.288 9.002 1.00 72.31 N ATOM 1313 NH2 ARG A 89 5.424 16.916 10.547 1.00 44.52 N ATOM 0 H ARG A 89 3.735 11.864 7.349 1.00 34.11 H new ATOM 0 HA ARG A 89 1.585 13.442 6.111 1.00 42.23 H new ATOM 0 HB2 ARG A 89 1.778 13.811 8.499 1.00 54.11 H new ATOM 0 HB3 ARG A 89 3.491 14.147 8.344 1.00 54.11 H new ATOM 0 HG2 ARG A 89 2.978 16.123 6.923 1.00 1.12 H new ATOM 0 HG3 ARG A 89 1.265 15.786 7.069 1.00 1.12 H new ATOM 0 HD2 ARG A 89 2.044 17.545 8.650 1.00 42.35 H new ATOM 0 HD3 ARG A 89 1.312 16.175 9.461 1.00 42.35 H new ATOM 0 HE ARG A 89 3.481 15.438 10.197 1.00 1.44 H new ATOM 0 HH11 ARG A 89 3.634 18.483 8.368 1.00 72.31 H new ATOM 0 HH12 ARG A 89 5.187 18.944 9.072 1.00 72.31 H new ATOM 0 HH21 ARG A 89 5.434 16.060 11.102 1.00 44.52 H new ATOM 0 HH22 ARG A 89 6.199 17.575 10.613 1.00 44.52 H new ATOM 1327 N LEU A 90 3.042 14.390 4.478 1.00 44.33 N ATOM 1328 CA LEU A 90 3.789 14.937 3.390 1.00 23.23 C ATOM 1329 C LEU A 90 3.336 16.359 3.163 1.00 11.20 C ATOM 1330 O LEU A 90 2.354 16.770 3.774 1.00 65.23 O ATOM 1331 CB LEU A 90 3.739 14.063 2.099 1.00 62.23 C ATOM 1332 CG LEU A 90 2.379 13.709 1.456 1.00 51.51 C ATOM 1333 CD1 LEU A 90 2.633 13.067 0.113 1.00 75.31 C ATOM 1334 CD2 LEU A 90 1.577 12.726 2.309 1.00 72.00 C ATOM 0 H LEU A 90 2.036 14.378 4.309 1.00 44.33 H new ATOM 0 HA LEU A 90 4.846 14.939 3.658 1.00 23.23 H new ATOM 0 HB2 LEU A 90 4.333 14.572 1.340 1.00 62.23 H new ATOM 0 HB3 LEU A 90 4.245 13.124 2.324 1.00 62.23 H new ATOM 0 HG LEU A 90 1.804 14.630 1.363 1.00 51.51 H new ATOM 0 HD11 LEU A 90 1.682 12.811 -0.354 1.00 75.31 H new ATOM 0 HD12 LEU A 90 3.175 13.763 -0.526 1.00 75.31 H new ATOM 0 HD13 LEU A 90 3.226 12.162 0.248 1.00 75.31 H new ATOM 0 HD21 LEU A 90 0.629 12.507 1.817 1.00 72.00 H new ATOM 0 HD22 LEU A 90 2.144 11.803 2.431 1.00 72.00 H new ATOM 0 HD23 LEU A 90 1.385 13.166 3.288 1.00 72.00 H new ATOM 1346 N GLY A 91 4.110 17.122 2.412 1.00 32.35 N ATOM 1347 CA GLY A 91 3.836 18.544 2.158 1.00 34.23 C ATOM 1348 C GLY A 91 2.359 18.903 1.952 1.00 34.02 C ATOM 1349 O GLY A 91 1.780 18.637 0.893 1.00 33.24 O ATOM 0 H GLY A 91 4.954 16.780 1.954 1.00 32.35 H new ATOM 0 HA2 GLY A 91 4.220 19.126 2.996 1.00 34.23 H new ATOM 0 HA3 GLY A 91 4.394 18.852 1.274 1.00 34.23 H new ATOM 1353 N HIS A 92 1.761 19.444 3.025 1.00 43.33 N ATOM 1354 CA HIS A 92 0.387 19.975 3.056 1.00 62.25 C ATOM 1355 C HIS A 92 -0.698 18.883 2.991 1.00 71.30 C ATOM 1356 O HIS A 92 -1.868 19.178 2.696 1.00 3.03 O ATOM 1357 CB HIS A 92 0.165 21.069 1.973 1.00 5.03 C ATOM 1358 CG HIS A 92 1.081 22.266 2.114 1.00 41.35 C ATOM 1359 ND1 HIS A 92 1.527 23.029 1.058 1.00 40.33 N ATOM 1360 CD2 HIS A 92 1.621 22.827 3.225 1.00 41.23 C ATOM 1361 CE1 HIS A 92 2.301 23.996 1.540 1.00 21.02 C ATOM 1362 NE2 HIS A 92 2.395 23.925 2.859 1.00 60.22 N ATOM 0 H HIS A 92 2.235 19.527 3.924 1.00 43.33 H new ATOM 0 HA HIS A 92 0.277 20.445 4.033 1.00 62.25 H new ATOM 0 HB2 HIS A 92 0.311 20.626 0.988 1.00 5.03 H new ATOM 0 HB3 HIS A 92 -0.870 21.408 2.020 1.00 5.03 H new ATOM 0 HD1 HIS A 92 1.302 22.878 0.075 1.00 40.33 H new ATOM 0 HD2 HIS A 92 1.473 22.477 4.236 1.00 41.23 H new ATOM 0 HE1 HIS A 92 2.791 24.744 0.934 1.00 21.02 H new ATOM 1370 N SER A 93 -0.338 17.634 3.282 1.00 2.51 N ATOM 1371 CA SER A 93 -1.305 16.525 3.292 1.00 42.03 C ATOM 1372 C SER A 93 -0.857 15.387 4.220 1.00 34.23 C ATOM 1373 O SER A 93 0.306 14.998 4.216 1.00 32.42 O ATOM 1374 CB SER A 93 -1.498 15.981 1.871 1.00 72.11 C ATOM 1375 OG SER A 93 -1.984 16.996 1.008 1.00 51.42 O ATOM 0 H SER A 93 0.616 17.359 3.515 1.00 2.51 H new ATOM 0 HA SER A 93 -2.249 16.918 3.669 1.00 42.03 H new ATOM 0 HB2 SER A 93 -0.551 15.597 1.492 1.00 72.11 H new ATOM 0 HB3 SER A 93 -2.198 15.145 1.888 1.00 72.11 H new ATOM 0 HG SER A 93 -2.396 16.585 0.219 1.00 51.42 H new ATOM 1381 N GLU A 94 -1.761 14.858 5.010 1.00 21.32 N ATOM 1382 CA GLU A 94 -1.432 13.736 5.860 1.00 31.13 C ATOM 1383 C GLU A 94 -2.324 12.557 5.531 1.00 41.01 C ATOM 1384 O GLU A 94 -3.537 12.714 5.309 1.00 63.14 O ATOM 1385 CB GLU A 94 -1.496 14.109 7.346 1.00 51.31 C ATOM 1386 CG GLU A 94 -2.858 14.560 7.829 1.00 24.21 C ATOM 1387 CD GLU A 94 -2.800 15.109 9.214 1.00 42.02 C ATOM 1388 OE1 GLU A 94 -2.448 16.292 9.371 1.00 32.13 O ATOM 1389 OE2 GLU A 94 -3.110 14.376 10.177 1.00 65.42 O ATOM 0 H GLU A 94 -2.725 15.183 5.083 1.00 21.32 H new ATOM 0 HA GLU A 94 -0.400 13.446 5.663 1.00 31.13 H new ATOM 0 HB2 GLU A 94 -1.184 13.247 7.936 1.00 51.31 H new ATOM 0 HB3 GLU A 94 -0.776 14.905 7.538 1.00 51.31 H new ATOM 0 HG2 GLU A 94 -3.250 15.320 7.153 1.00 24.21 H new ATOM 0 HG3 GLU A 94 -3.551 13.719 7.800 1.00 24.21 H new ATOM 1396 N ILE A 95 -1.734 11.405 5.465 1.00 73.20 N ATOM 1397 CA ILE A 95 -2.437 10.216 5.108 1.00 42.22 C ATOM 1398 C ILE A 95 -2.190 9.148 6.192 1.00 22.44 C ATOM 1399 O ILE A 95 -1.074 9.023 6.710 1.00 61.43 O ATOM 1400 CB ILE A 95 -1.972 9.726 3.687 1.00 52.22 C ATOM 1401 CG1 ILE A 95 -2.868 8.642 3.146 1.00 2.44 C ATOM 1402 CG2 ILE A 95 -0.527 9.271 3.661 1.00 43.40 C ATOM 1403 CD1 ILE A 95 -4.220 9.147 2.729 1.00 11.14 C ATOM 0 H ILE A 95 -0.743 11.263 5.659 1.00 73.20 H new ATOM 0 HA ILE A 95 -3.508 10.409 5.051 1.00 42.22 H new ATOM 0 HB ILE A 95 -2.050 10.598 3.038 1.00 52.22 H new ATOM 0 HG12 ILE A 95 -2.383 8.172 2.291 1.00 2.44 H new ATOM 0 HG13 ILE A 95 -2.994 7.870 3.905 1.00 2.44 H new ATOM 0 HG21 ILE A 95 -0.266 8.945 2.654 1.00 43.40 H new ATOM 0 HG22 ILE A 95 0.120 10.098 3.954 1.00 43.40 H new ATOM 0 HG23 ILE A 95 -0.394 8.442 4.356 1.00 43.40 H new ATOM 0 HD11 ILE A 95 -4.817 8.318 2.349 1.00 11.14 H new ATOM 0 HD12 ILE A 95 -4.723 9.592 3.588 1.00 11.14 H new ATOM 0 HD13 ILE A 95 -4.103 9.898 1.948 1.00 11.14 H new ATOM 1415 N ILE A 96 -3.217 8.437 6.578 1.00 53.23 N ATOM 1416 CA ILE A 96 -3.079 7.433 7.616 1.00 74.22 C ATOM 1417 C ILE A 96 -3.154 6.050 6.995 1.00 24.23 C ATOM 1418 O ILE A 96 -4.086 5.752 6.262 1.00 21.33 O ATOM 1419 CB ILE A 96 -4.187 7.580 8.697 1.00 32.23 C ATOM 1420 CG1 ILE A 96 -4.170 9.003 9.282 1.00 74.52 C ATOM 1421 CG2 ILE A 96 -3.994 6.540 9.812 1.00 40.42 C ATOM 1422 CD1 ILE A 96 -5.281 9.277 10.273 1.00 4.02 C ATOM 0 H ILE A 96 -4.158 8.529 6.195 1.00 53.23 H new ATOM 0 HA ILE A 96 -2.113 7.573 8.100 1.00 74.22 H new ATOM 0 HB ILE A 96 -5.156 7.405 8.229 1.00 32.23 H new ATOM 0 HG12 ILE A 96 -3.211 9.171 9.772 1.00 74.52 H new ATOM 0 HG13 ILE A 96 -4.241 9.721 8.465 1.00 74.52 H new ATOM 0 HG21 ILE A 96 -4.779 6.658 10.559 1.00 40.42 H new ATOM 0 HG22 ILE A 96 -4.045 5.537 9.387 1.00 40.42 H new ATOM 0 HG23 ILE A 96 -3.021 6.686 10.281 1.00 40.42 H new ATOM 0 HD11 ILE A 96 -5.198 10.301 10.638 1.00 4.02 H new ATOM 0 HD12 ILE A 96 -6.246 9.143 9.784 1.00 4.02 H new ATOM 0 HD13 ILE A 96 -5.200 8.585 11.111 1.00 4.02 H new ATOM 1434 N VAL A 97 -2.187 5.227 7.271 1.00 64.23 N ATOM 1435 CA VAL A 97 -2.159 3.893 6.735 1.00 45.11 C ATOM 1436 C VAL A 97 -2.963 2.943 7.589 1.00 71.10 C ATOM 1437 O VAL A 97 -2.705 2.786 8.783 1.00 32.54 O ATOM 1438 CB VAL A 97 -0.711 3.380 6.554 1.00 72.51 C ATOM 1439 CG1 VAL A 97 -0.691 1.898 6.214 1.00 23.23 C ATOM 1440 CG2 VAL A 97 -0.058 4.149 5.438 1.00 71.44 C ATOM 0 H VAL A 97 -1.396 5.457 7.872 1.00 64.23 H new ATOM 0 HA VAL A 97 -2.620 3.933 5.748 1.00 45.11 H new ATOM 0 HB VAL A 97 -0.172 3.525 7.490 1.00 72.51 H new ATOM 0 HG11 VAL A 97 0.340 1.566 6.093 1.00 23.23 H new ATOM 0 HG12 VAL A 97 -1.161 1.334 7.019 1.00 23.23 H new ATOM 0 HG13 VAL A 97 -1.238 1.730 5.286 1.00 23.23 H new ATOM 0 HG21 VAL A 97 0.964 3.795 5.302 1.00 71.44 H new ATOM 0 HG22 VAL A 97 -0.620 4.000 4.516 1.00 71.44 H new ATOM 0 HG23 VAL A 97 -0.044 5.210 5.687 1.00 71.44 H new ATOM 1450 N ARG A 98 -3.953 2.358 6.988 1.00 51.43 N ATOM 1451 CA ARG A 98 -4.782 1.383 7.623 1.00 3.00 C ATOM 1452 C ARG A 98 -4.560 0.062 6.945 1.00 34.34 C ATOM 1453 O ARG A 98 -4.651 -0.042 5.724 1.00 64.23 O ATOM 1454 CB ARG A 98 -6.249 1.794 7.526 1.00 73.54 C ATOM 1455 CG ARG A 98 -6.543 3.128 8.185 1.00 65.23 C ATOM 1456 CD ARG A 98 -6.479 3.041 9.699 1.00 14.44 C ATOM 1457 NE ARG A 98 -7.562 2.208 10.236 1.00 3.31 N ATOM 1458 CZ ARG A 98 -7.754 1.923 11.530 1.00 34.11 C ATOM 1459 NH1 ARG A 98 -6.875 2.328 12.453 1.00 53.44 N ATOM 1460 NH2 ARG A 98 -8.821 1.221 11.890 1.00 73.05 N ATOM 0 H ARG A 98 -4.212 2.550 6.020 1.00 51.43 H new ATOM 0 HA ARG A 98 -4.526 1.304 8.679 1.00 3.00 H new ATOM 0 HB2 ARG A 98 -6.536 1.844 6.476 1.00 73.54 H new ATOM 0 HB3 ARG A 98 -6.866 1.024 7.989 1.00 73.54 H new ATOM 0 HG2 ARG A 98 -5.827 3.871 7.834 1.00 65.23 H new ATOM 0 HG3 ARG A 98 -7.533 3.471 7.883 1.00 65.23 H new ATOM 0 HD2 ARG A 98 -5.517 2.627 10.000 1.00 14.44 H new ATOM 0 HD3 ARG A 98 -6.543 4.042 10.125 1.00 14.44 H new ATOM 0 HE ARG A 98 -8.224 1.813 9.567 1.00 3.31 H new ATOM 0 HH11 ARG A 98 -6.050 2.859 12.173 1.00 53.44 H new ATOM 0 HH12 ARG A 98 -7.030 2.106 13.437 1.00 53.44 H new ATOM 0 HH21 ARG A 98 -9.485 0.904 11.184 1.00 73.05 H new ATOM 0 HH22 ARG A 98 -8.977 0.998 12.873 1.00 73.05 H new ATOM 1474 N MET A 99 -4.240 -0.920 7.706 1.00 22.04 N ATOM 1475 CA MET A 99 -4.003 -2.230 7.167 1.00 4.23 C ATOM 1476 C MET A 99 -5.013 -3.209 7.654 1.00 0.34 C ATOM 1477 O MET A 99 -5.319 -3.288 8.847 1.00 43.41 O ATOM 1478 CB MET A 99 -2.584 -2.755 7.395 1.00 22.52 C ATOM 1479 CG MET A 99 -1.521 -2.058 6.578 1.00 22.01 C ATOM 1480 SD MET A 99 0.081 -2.879 6.693 1.00 33.35 S ATOM 1481 CE MET A 99 1.030 -1.909 5.534 1.00 31.54 C ATOM 0 H MET A 99 -4.132 -0.850 8.718 1.00 22.04 H new ATOM 0 HA MET A 99 -4.109 -2.118 6.088 1.00 4.23 H new ATOM 0 HB2 MET A 99 -2.338 -2.653 8.452 1.00 22.52 H new ATOM 0 HB3 MET A 99 -2.562 -3.820 7.164 1.00 22.52 H new ATOM 0 HG2 MET A 99 -1.834 -2.022 5.534 1.00 22.01 H new ATOM 0 HG3 MET A 99 -1.423 -1.027 6.917 1.00 22.01 H new ATOM 0 HE1 MET A 99 2.080 -2.197 5.592 1.00 31.54 H new ATOM 0 HE2 MET A 99 0.661 -2.086 4.524 1.00 31.54 H new ATOM 0 HE3 MET A 99 0.930 -0.851 5.777 1.00 31.54 H new ATOM 1491 N HIS A 100 -5.541 -3.924 6.735 1.00 53.11 N ATOM 1492 CA HIS A 100 -6.532 -4.918 6.991 1.00 4.21 C ATOM 1493 C HIS A 100 -5.844 -6.245 7.100 1.00 65.43 C ATOM 1494 O HIS A 100 -5.977 -6.914 8.144 1.00 3.31 O ATOM 1495 CB HIS A 100 -7.583 -4.934 5.876 1.00 22.25 C ATOM 1496 CG HIS A 100 -8.285 -3.618 5.703 1.00 61.22 C ATOM 1497 ND1 HIS A 100 -9.475 -3.301 6.300 1.00 71.04 N ATOM 1498 CD2 HIS A 100 -7.922 -2.524 4.991 1.00 51.30 C ATOM 1499 CE1 HIS A 100 -9.799 -2.057 5.946 1.00 1.41 C ATOM 1500 NE2 HIS A 100 -8.883 -1.532 5.147 1.00 33.51 N ATOM 1501 OXT HIS A 100 -5.059 -6.578 6.186 1.00 39.21 O ATOM 0 H HIS A 100 -5.293 -3.837 5.749 1.00 53.11 H new ATOM 0 HA HIS A 100 -7.054 -4.696 7.922 1.00 4.21 H new ATOM 0 HB2 HIS A 100 -7.102 -5.208 4.937 1.00 22.25 H new ATOM 0 HB3 HIS A 100 -8.321 -5.706 6.093 1.00 22.25 H new ATOM 0 HD1 HIS A 100 -10.020 -3.911 6.910 1.00 71.04 H new ATOM 0 HD2 HIS A 100 -7.026 -2.436 4.395 1.00 51.30 H new ATOM 0 HE1 HIS A 100 -10.693 -1.544 6.269 1.00 1.41 H new