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 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 100 HIS : no HE2:sc=-0.00341 X(o=-0.0034,f=-0.06) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -1.48 K(o=-0.2,f=-1.9!) USER MOD Set 2.2: A 70 THR OG1 : rot 87:sc= 1.29 USER MOD Set 3.1: A 46 SER OG : rot -120:sc= 0.803 USER MOD Set 3.2: A 65 ASN : amide:sc= 0.529 K(o=1.3,f=-4.1!) USER MOD Set 4.1: A 21 TYR OH : rot -142:sc= 1.18 USER MOD Set 4.2: A 28 ASN : amide:sc= -0.142! C(o=1!,f=-2.2!) USER MOD Single : A 7 THR OG1 : rot 37:sc= 0.185 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 22 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 27 SER OG : rot 32:sc= 0.0238 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 37 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.24) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00291 USER MOD Single : A 57 GLN : amide:sc= -0.793 K(o=-0.79,f=-0.0002) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.87) USER MOD Single : A 71 THR OG1 : rot -24:sc= -0.103 USER MOD Single : A 73 ASN : amide:sc= 2.18 K(o=2.2,f=-7.8!) USER MOD Single : A 74 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.74 K(o=-0.74,f=-3.5!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 92 HIS : no HE2:sc= 1.04 K(o=1,f=-4.3!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 99 MET CE :methyl 164:sc= -0.0857 (180deg=-0.472) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -5.259 -8.033 2.242 1.00 21.34 N ATOM 63 CA THR A 7 -4.680 -6.834 2.737 1.00 73.13 C ATOM 64 C THR A 7 -4.800 -5.727 1.696 1.00 0.22 C ATOM 65 O THR A 7 -4.281 -5.850 0.582 1.00 52.05 O ATOM 66 CB THR A 7 -3.188 -7.071 3.050 1.00 3.31 C ATOM 67 OG1 THR A 7 -3.053 -8.201 3.931 1.00 43.14 O ATOM 68 CG2 THR A 7 -2.565 -5.841 3.696 1.00 43.44 C ATOM 0 HA THR A 7 -5.206 -6.537 3.644 1.00 73.13 H new ATOM 0 HB THR A 7 -2.667 -7.269 2.114 1.00 3.31 H new ATOM 0 HG1 THR A 7 -3.723 -8.878 3.700 1.00 43.14 H new ATOM 0 HG21 THR A 7 -1.513 -6.034 3.907 1.00 43.44 H new ATOM 0 HG22 THR A 7 -2.649 -4.992 3.018 1.00 43.44 H new ATOM 0 HG23 THR A 7 -3.086 -5.615 4.627 1.00 43.44 H new ATOM 76 N SER A 8 -5.517 -4.703 2.030 1.00 40.22 N ATOM 77 CA SER A 8 -5.616 -3.542 1.199 1.00 23.03 C ATOM 78 C SER A 8 -5.012 -2.371 1.959 1.00 70.12 C ATOM 79 O SER A 8 -5.502 -2.002 3.019 1.00 62.44 O ATOM 80 CB SER A 8 -7.077 -3.251 0.882 1.00 21.32 C ATOM 81 OG SER A 8 -7.730 -4.403 0.368 1.00 22.41 O ATOM 0 H SER A 8 -6.056 -4.646 2.894 1.00 40.22 H new ATOM 0 HA SER A 8 -5.086 -3.703 0.261 1.00 23.03 H new ATOM 0 HB2 SER A 8 -7.587 -2.912 1.784 1.00 21.32 H new ATOM 0 HB3 SER A 8 -7.140 -2.440 0.157 1.00 21.32 H new ATOM 0 HG SER A 8 -8.667 -4.189 0.175 1.00 22.41 H new ATOM 87 N VAL A 9 -3.938 -1.826 1.467 1.00 41.44 N ATOM 88 CA VAL A 9 -3.337 -0.705 2.129 1.00 54.44 C ATOM 89 C VAL A 9 -3.841 0.578 1.485 1.00 33.00 C ATOM 90 O VAL A 9 -3.643 0.826 0.281 1.00 0.54 O ATOM 91 CB VAL A 9 -1.784 -0.809 2.201 1.00 54.54 C ATOM 92 CG1 VAL A 9 -1.182 -1.082 0.849 1.00 53.32 C ATOM 93 CG2 VAL A 9 -1.168 0.434 2.832 1.00 21.10 C ATOM 0 H VAL A 9 -3.464 -2.135 0.618 1.00 41.44 H new ATOM 0 HA VAL A 9 -3.644 -0.698 3.175 1.00 54.44 H new ATOM 0 HB VAL A 9 -1.551 -1.658 2.844 1.00 54.54 H new ATOM 0 HG11 VAL A 9 -0.098 -1.148 0.940 1.00 53.32 H new ATOM 0 HG12 VAL A 9 -1.571 -2.023 0.461 1.00 53.32 H new ATOM 0 HG13 VAL A 9 -1.440 -0.273 0.166 1.00 53.32 H new ATOM 0 HG21 VAL A 9 -0.084 0.326 2.866 1.00 21.10 H new ATOM 0 HG22 VAL A 9 -1.427 1.310 2.238 1.00 21.10 H new ATOM 0 HG23 VAL A 9 -1.552 0.556 3.845 1.00 21.10 H new ATOM 103 N THR A 10 -4.515 1.351 2.269 1.00 63.41 N ATOM 104 CA THR A 10 -5.211 2.491 1.791 1.00 62.53 C ATOM 105 C THR A 10 -4.752 3.744 2.520 1.00 54.15 C ATOM 106 O THR A 10 -4.560 3.740 3.744 1.00 30.01 O ATOM 107 CB THR A 10 -6.730 2.273 1.986 1.00 5.34 C ATOM 108 OG1 THR A 10 -7.109 1.012 1.406 1.00 51.02 O ATOM 109 CG2 THR A 10 -7.538 3.368 1.327 1.00 41.41 C ATOM 0 H THR A 10 -4.597 1.203 3.275 1.00 63.41 H new ATOM 0 HA THR A 10 -4.998 2.627 0.731 1.00 62.53 H new ATOM 0 HB THR A 10 -6.934 2.286 3.057 1.00 5.34 H new ATOM 0 HG1 THR A 10 -8.071 0.871 1.530 1.00 51.02 H new ATOM 0 HG21 THR A 10 -8.600 3.182 1.485 1.00 41.41 H new ATOM 0 HG22 THR A 10 -7.270 4.330 1.763 1.00 41.41 H new ATOM 0 HG23 THR A 10 -7.327 3.382 0.258 1.00 41.41 H new ATOM 117 N LEU A 11 -4.535 4.787 1.762 1.00 3.50 N ATOM 118 CA LEU A 11 -4.137 6.057 2.292 1.00 54.22 C ATOM 119 C LEU A 11 -5.378 6.810 2.685 1.00 51.32 C ATOM 120 O LEU A 11 -6.298 6.964 1.877 1.00 43.22 O ATOM 121 CB LEU A 11 -3.365 6.847 1.245 1.00 64.45 C ATOM 122 CG LEU A 11 -2.199 6.118 0.602 1.00 70.40 C ATOM 123 CD1 LEU A 11 -1.523 7.001 -0.429 1.00 43.51 C ATOM 124 CD2 LEU A 11 -1.189 5.631 1.635 1.00 23.44 C ATOM 0 H LEU A 11 -4.632 4.774 0.747 1.00 3.50 H new ATOM 0 HA LEU A 11 -3.490 5.912 3.157 1.00 54.22 H new ATOM 0 HB2 LEU A 11 -4.058 7.150 0.460 1.00 64.45 H new ATOM 0 HB3 LEU A 11 -2.989 7.759 1.708 1.00 64.45 H new ATOM 0 HG LEU A 11 -2.602 5.237 0.103 1.00 70.40 H new ATOM 0 HD11 LEU A 11 -0.690 6.462 -0.879 1.00 43.51 H new ATOM 0 HD12 LEU A 11 -2.241 7.272 -1.203 1.00 43.51 H new ATOM 0 HD13 LEU A 11 -1.152 7.905 0.054 1.00 43.51 H new ATOM 0 HD21 LEU A 11 -0.372 5.115 1.130 1.00 23.44 H new ATOM 0 HD22 LEU A 11 -0.794 6.483 2.187 1.00 23.44 H new ATOM 0 HD23 LEU A 11 -1.678 4.946 2.327 1.00 23.44 H new ATOM 136 N GLN A 12 -5.403 7.258 3.890 1.00 75.21 N ATOM 137 CA GLN A 12 -6.564 7.920 4.449 1.00 12.11 C ATOM 138 C GLN A 12 -6.290 9.400 4.687 1.00 3.23 C ATOM 139 O GLN A 12 -5.305 9.766 5.343 1.00 42.51 O ATOM 140 CB GLN A 12 -6.909 7.287 5.780 1.00 43.00 C ATOM 141 CG GLN A 12 -8.272 7.655 6.320 1.00 53.44 C ATOM 142 CD GLN A 12 -8.423 7.254 7.759 1.00 33.53 C ATOM 143 OE1 GLN A 12 -8.827 6.144 8.077 1.00 45.32 O ATOM 144 NE2 GLN A 12 -8.112 8.156 8.637 1.00 64.41 N ATOM 0 H GLN A 12 -4.617 7.182 4.536 1.00 75.21 H new ATOM 0 HA GLN A 12 -7.386 7.815 3.740 1.00 12.11 H new ATOM 0 HB2 GLN A 12 -6.855 6.203 5.676 1.00 43.00 H new ATOM 0 HB3 GLN A 12 -6.154 7.576 6.511 1.00 43.00 H new ATOM 0 HG2 GLN A 12 -8.424 8.730 6.223 1.00 53.44 H new ATOM 0 HG3 GLN A 12 -9.044 7.169 5.723 1.00 53.44 H new ATOM 0 HE21 GLN A 12 -7.778 9.071 8.332 1.00 64.41 H new ATOM 0 HE22 GLN A 12 -8.201 7.951 9.632 1.00 64.41 H new ATOM 153 N LEU A 13 -7.165 10.225 4.183 1.00 62.20 N ATOM 154 CA LEU A 13 -7.114 11.649 4.372 1.00 50.12 C ATOM 155 C LEU A 13 -8.508 12.141 4.674 1.00 75.43 C ATOM 156 O LEU A 13 -9.445 11.847 3.925 1.00 75.11 O ATOM 157 CB LEU A 13 -6.606 12.338 3.100 1.00 1.43 C ATOM 158 CG LEU A 13 -6.734 13.864 3.081 1.00 65.24 C ATOM 159 CD1 LEU A 13 -5.845 14.525 4.121 1.00 23.20 C ATOM 160 CD2 LEU A 13 -6.483 14.419 1.696 1.00 50.15 C ATOM 0 H LEU A 13 -7.954 9.918 3.614 1.00 62.20 H new ATOM 0 HA LEU A 13 -6.436 11.881 5.193 1.00 50.12 H new ATOM 0 HB2 LEU A 13 -5.557 12.077 2.961 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -7.151 11.934 2.247 1.00 1.43 H new ATOM 0 HG LEU A 13 -7.763 14.104 3.350 1.00 65.24 H new ATOM 0 HD11 LEU A 13 -5.969 15.607 4.071 1.00 23.20 H new ATOM 0 HD12 LEU A 13 -6.124 14.174 5.114 1.00 23.20 H new ATOM 0 HD13 LEU A 13 -4.804 14.269 3.925 1.00 23.20 H new ATOM 0 HD21 LEU A 13 -6.581 15.504 1.716 1.00 50.15 H new ATOM 0 HD22 LEU A 13 -5.477 14.151 1.374 1.00 50.15 H new ATOM 0 HD23 LEU A 13 -7.210 14.001 0.999 1.00 50.15 H new ATOM 172 N ASP A 14 -8.676 12.883 5.729 1.00 33.00 N ATOM 173 CA ASP A 14 -9.976 13.403 6.025 1.00 40.34 C ATOM 174 C ASP A 14 -10.102 14.715 5.345 1.00 41.20 C ATOM 175 O ASP A 14 -9.549 15.724 5.780 1.00 11.12 O ATOM 176 CB ASP A 14 -10.237 13.553 7.529 1.00 41.02 C ATOM 177 CG ASP A 14 -11.664 14.018 7.831 1.00 31.11 C ATOM 178 OD1 ASP A 14 -11.951 15.224 7.740 1.00 21.53 O ATOM 179 OD2 ASP A 14 -12.519 13.173 8.182 1.00 22.34 O ATOM 0 H ASP A 14 -7.941 13.138 6.389 1.00 33.00 H new ATOM 0 HA ASP A 14 -10.723 12.695 5.665 1.00 40.34 H new ATOM 0 HB2 ASP A 14 -10.057 12.598 8.023 1.00 41.02 H new ATOM 0 HB3 ASP A 14 -9.529 14.268 7.948 1.00 41.02 H new ATOM 184 N ASP A 15 -10.757 14.685 4.244 1.00 11.50 N ATOM 185 CA ASP A 15 -11.028 15.855 3.504 1.00 0.13 C ATOM 186 C ASP A 15 -12.505 15.917 3.297 1.00 21.30 C ATOM 187 O ASP A 15 -13.043 15.347 2.352 1.00 0.21 O ATOM 188 CB ASP A 15 -10.261 15.884 2.173 1.00 63.11 C ATOM 189 CG ASP A 15 -10.667 17.034 1.274 1.00 53.13 C ATOM 190 OD1 ASP A 15 -10.329 18.192 1.570 1.00 25.13 O ATOM 191 OD2 ASP A 15 -11.345 16.788 0.256 1.00 21.52 O ATOM 0 H ASP A 15 -11.125 13.830 3.826 1.00 11.50 H new ATOM 0 HA ASP A 15 -10.688 16.733 4.053 1.00 0.13 H new ATOM 0 HB2 ASP A 15 -9.193 15.952 2.378 1.00 63.11 H new ATOM 0 HB3 ASP A 15 -10.425 14.944 1.646 1.00 63.11 H new ATOM 196 N GLY A 16 -13.165 16.441 4.273 1.00 55.20 N ATOM 197 CA GLY A 16 -14.592 16.551 4.235 1.00 4.02 C ATOM 198 C GLY A 16 -15.226 15.362 4.905 1.00 3.34 C ATOM 199 O GLY A 16 -15.700 15.449 6.033 1.00 21.31 O ATOM 0 H GLY A 16 -12.735 16.807 5.122 1.00 55.20 H new ATOM 0 HA2 GLY A 16 -14.906 17.468 4.733 1.00 4.02 H new ATOM 0 HA3 GLY A 16 -14.931 16.618 3.201 1.00 4.02 H new ATOM 203 N SER A 17 -15.173 14.241 4.243 1.00 45.33 N ATOM 204 CA SER A 17 -15.742 13.032 4.762 1.00 61.14 C ATOM 205 C SER A 17 -14.644 11.980 4.854 1.00 1.04 C ATOM 206 O SER A 17 -14.598 11.175 5.795 1.00 5.44 O ATOM 207 CB SER A 17 -16.892 12.566 3.850 1.00 13.12 C ATOM 208 OG SER A 17 -17.612 11.463 4.397 1.00 54.00 O ATOM 0 H SER A 17 -14.734 14.141 3.328 1.00 45.33 H new ATOM 0 HA SER A 17 -16.155 13.199 5.757 1.00 61.14 H new ATOM 0 HB2 SER A 17 -17.578 13.396 3.683 1.00 13.12 H new ATOM 0 HB3 SER A 17 -16.489 12.285 2.877 1.00 13.12 H new ATOM 0 HG SER A 17 -18.331 11.205 3.783 1.00 54.00 H new ATOM 214 N GLY A 18 -13.738 12.008 3.901 1.00 44.22 N ATOM 215 CA GLY A 18 -12.672 11.078 3.896 1.00 43.11 C ATOM 216 C GLY A 18 -12.354 10.619 2.510 1.00 25.13 C ATOM 217 O GLY A 18 -13.187 10.025 1.833 1.00 1.50 O ATOM 0 H GLY A 18 -13.733 12.672 3.127 1.00 44.22 H new ATOM 0 HA2 GLY A 18 -11.788 11.534 4.342 1.00 43.11 H new ATOM 0 HA3 GLY A 18 -12.934 10.219 4.514 1.00 43.11 H new ATOM 221 N ARG A 19 -11.180 10.934 2.072 1.00 41.42 N ATOM 222 CA ARG A 19 -10.687 10.481 0.805 1.00 41.21 C ATOM 223 C ARG A 19 -9.779 9.334 1.071 1.00 10.21 C ATOM 224 O ARG A 19 -9.018 9.366 2.052 1.00 62.44 O ATOM 225 CB ARG A 19 -9.868 11.524 0.094 1.00 13.32 C ATOM 226 CG ARG A 19 -10.580 12.795 -0.309 1.00 54.03 C ATOM 227 CD ARG A 19 -9.617 13.663 -1.088 1.00 61.03 C ATOM 228 NE ARG A 19 -10.122 15.015 -1.368 1.00 63.24 N ATOM 229 CZ ARG A 19 -9.770 15.772 -2.412 1.00 55.41 C ATOM 230 NH1 ARG A 19 -9.137 15.232 -3.463 1.00 54.14 N ATOM 231 NH2 ARG A 19 -10.102 17.059 -2.417 1.00 52.15 N ATOM 0 H ARG A 19 -10.524 11.521 2.588 1.00 41.42 H new ATOM 0 HA ARG A 19 -11.544 10.230 0.181 1.00 41.21 H new ATOM 0 HB2 ARG A 19 -9.030 11.794 0.737 1.00 13.32 H new ATOM 0 HB3 ARG A 19 -9.448 11.071 -0.804 1.00 13.32 H new ATOM 0 HG2 ARG A 19 -11.455 12.562 -0.916 1.00 54.03 H new ATOM 0 HG3 ARG A 19 -10.937 13.325 0.574 1.00 54.03 H new ATOM 0 HD2 ARG A 19 -8.684 13.743 -0.530 1.00 61.03 H new ATOM 0 HD3 ARG A 19 -9.383 13.171 -2.032 1.00 61.03 H new ATOM 0 HE ARG A 19 -10.797 15.408 -0.711 1.00 63.24 H new ATOM 0 HH11 ARG A 19 -8.920 14.235 -3.471 1.00 54.14 H new ATOM 0 HH12 ARG A 19 -8.872 15.818 -4.255 1.00 54.14 H new ATOM 0 HH21 ARG A 19 -10.618 17.456 -1.632 1.00 52.15 H new ATOM 0 HH22 ARG A 19 -9.841 17.650 -3.206 1.00 52.15 H new ATOM 245 N THR A 20 -9.816 8.353 0.230 1.00 34.24 N ATOM 246 CA THR A 20 -8.998 7.191 0.420 1.00 30.11 C ATOM 247 C THR A 20 -8.450 6.676 -0.901 1.00 44.00 C ATOM 248 O THR A 20 -9.185 6.572 -1.895 1.00 22.35 O ATOM 249 CB THR A 20 -9.751 6.070 1.189 1.00 22.42 C ATOM 250 OG1 THR A 20 -11.040 5.826 0.599 1.00 61.41 O ATOM 251 CG2 THR A 20 -9.921 6.437 2.660 1.00 44.45 C ATOM 0 H THR A 20 -10.406 8.329 -0.602 1.00 34.24 H new ATOM 0 HA THR A 20 -8.152 7.495 1.037 1.00 30.11 H new ATOM 0 HB THR A 20 -9.152 5.162 1.121 1.00 22.42 H new ATOM 0 HG1 THR A 20 -11.498 5.116 1.096 1.00 61.41 H new ATOM 0 HG21 THR A 20 -10.451 5.636 3.176 1.00 44.45 H new ATOM 0 HG22 THR A 20 -8.941 6.576 3.116 1.00 44.45 H new ATOM 0 HG23 THR A 20 -10.493 7.361 2.741 1.00 44.45 H new ATOM 259 N TYR A 21 -7.172 6.405 -0.920 1.00 72.21 N ATOM 260 CA TYR A 21 -6.504 5.892 -2.093 1.00 50.33 C ATOM 261 C TYR A 21 -5.865 4.570 -1.768 1.00 41.13 C ATOM 262 O TYR A 21 -4.937 4.511 -0.957 1.00 65.25 O ATOM 263 CB TYR A 21 -5.447 6.893 -2.614 1.00 43.23 C ATOM 264 CG TYR A 21 -4.581 6.359 -3.753 1.00 24.13 C ATOM 265 CD1 TYR A 21 -5.085 6.216 -5.035 1.00 71.23 C ATOM 266 CD2 TYR A 21 -3.261 5.985 -3.527 1.00 61.34 C ATOM 267 CE1 TYR A 21 -4.298 5.719 -6.059 1.00 63.44 C ATOM 268 CE2 TYR A 21 -2.475 5.488 -4.542 1.00 75.54 C ATOM 269 CZ TYR A 21 -2.993 5.356 -5.800 1.00 2.22 C ATOM 270 OH TYR A 21 -2.203 4.843 -6.810 1.00 4.00 O ATOM 0 H TYR A 21 -6.557 6.534 -0.116 1.00 72.21 H new ATOM 0 HA TYR A 21 -7.242 5.751 -2.883 1.00 50.33 H new ATOM 0 HB2 TYR A 21 -5.955 7.796 -2.953 1.00 43.23 H new ATOM 0 HB3 TYR A 21 -4.800 7.183 -1.786 1.00 43.23 H new ATOM 0 HD1 TYR A 21 -6.108 6.497 -5.239 1.00 71.23 H new ATOM 0 HD2 TYR A 21 -2.844 6.086 -2.536 1.00 61.34 H new ATOM 0 HE1 TYR A 21 -4.703 5.616 -7.055 1.00 63.44 H new ATOM 0 HE2 TYR A 21 -1.452 5.203 -4.345 1.00 75.54 H new ATOM 0 HH TYR A 21 -1.629 4.136 -6.449 1.00 4.00 H new ATOM 280 N GLN A 22 -6.372 3.517 -2.342 1.00 64.45 N ATOM 281 CA GLN A 22 -5.804 2.222 -2.132 1.00 43.21 C ATOM 282 C GLN A 22 -4.650 2.017 -3.081 1.00 1.13 C ATOM 283 O GLN A 22 -4.754 2.300 -4.290 1.00 70.44 O ATOM 284 CB GLN A 22 -6.835 1.097 -2.274 1.00 13.44 C ATOM 285 CG GLN A 22 -6.233 -0.282 -2.032 1.00 24.34 C ATOM 286 CD GLN A 22 -7.229 -1.411 -2.104 1.00 2.14 C ATOM 287 OE1 GLN A 22 -8.407 -1.254 -1.789 1.00 0.51 O ATOM 288 NE2 GLN A 22 -6.766 -2.557 -2.521 1.00 33.32 N ATOM 0 H GLN A 22 -7.182 3.533 -2.962 1.00 64.45 H new ATOM 0 HA GLN A 22 -5.443 2.180 -1.104 1.00 43.21 H new ATOM 0 HB2 GLN A 22 -7.649 1.263 -1.568 1.00 13.44 H new ATOM 0 HB3 GLN A 22 -7.268 1.130 -3.274 1.00 13.44 H new ATOM 0 HG2 GLN A 22 -5.448 -0.458 -2.767 1.00 24.34 H new ATOM 0 HG3 GLN A 22 -5.759 -0.292 -1.051 1.00 24.34 H new ATOM 0 HE21 GLN A 22 -5.782 -2.648 -2.773 1.00 33.32 H new ATOM 0 HE22 GLN A 22 -7.388 -3.362 -2.595 1.00 33.32 H new ATOM 297 N LEU A 23 -3.565 1.559 -2.532 1.00 30.04 N ATOM 298 CA LEU A 23 -2.365 1.297 -3.272 1.00 4.03 C ATOM 299 C LEU A 23 -2.528 0.035 -4.093 1.00 14.04 C ATOM 300 O LEU A 23 -3.117 -0.955 -3.627 1.00 63.44 O ATOM 301 CB LEU A 23 -1.209 1.116 -2.299 1.00 33.43 C ATOM 302 CG LEU A 23 -0.864 2.318 -1.416 1.00 21.04 C ATOM 303 CD1 LEU A 23 0.233 1.957 -0.453 1.00 63.42 C ATOM 304 CD2 LEU A 23 -0.436 3.505 -2.256 1.00 23.44 C ATOM 0 H LEU A 23 -3.487 1.352 -1.536 1.00 30.04 H new ATOM 0 HA LEU A 23 -2.164 2.135 -3.940 1.00 4.03 H new ATOM 0 HB2 LEU A 23 -1.439 0.271 -1.650 1.00 33.43 H new ATOM 0 HB3 LEU A 23 -0.321 0.847 -2.871 1.00 33.43 H new ATOM 0 HG LEU A 23 -1.759 2.594 -0.858 1.00 21.04 H new ATOM 0 HD11 LEU A 23 0.469 2.820 0.169 1.00 63.42 H new ATOM 0 HD12 LEU A 23 -0.095 1.132 0.180 1.00 63.42 H new ATOM 0 HD13 LEU A 23 1.121 1.657 -1.009 1.00 63.42 H new ATOM 0 HD21 LEU A 23 -0.197 4.345 -1.604 1.00 23.44 H new ATOM 0 HD22 LEU A 23 0.444 3.238 -2.841 1.00 23.44 H new ATOM 0 HD23 LEU A 23 -1.247 3.787 -2.928 1.00 23.44 H new ATOM 316 N ARG A 24 -2.055 0.073 -5.304 1.00 75.33 N ATOM 317 CA ARG A 24 -2.072 -1.094 -6.137 1.00 24.14 C ATOM 318 C ARG A 24 -0.704 -1.680 -6.196 1.00 51.51 C ATOM 319 O ARG A 24 0.266 -1.032 -5.784 1.00 43.42 O ATOM 320 CB ARG A 24 -2.595 -0.810 -7.531 1.00 34.03 C ATOM 321 CG ARG A 24 -4.047 -0.420 -7.565 1.00 1.42 C ATOM 322 CD ARG A 24 -4.536 -0.280 -8.983 1.00 73.22 C ATOM 323 NE ARG A 24 -4.509 -1.548 -9.728 1.00 2.11 N ATOM 324 CZ ARG A 24 -4.710 -1.663 -11.056 1.00 11.54 C ATOM 325 NH1 ARG A 24 -4.793 -0.574 -11.825 1.00 42.52 N ATOM 326 NH2 ARG A 24 -4.801 -2.860 -11.605 1.00 23.34 N ATOM 0 H ARG A 24 -1.651 0.903 -5.739 1.00 75.33 H new ATOM 0 HA ARG A 24 -2.762 -1.810 -5.691 1.00 24.14 H new ATOM 0 HB2 ARG A 24 -2.003 -0.010 -7.976 1.00 34.03 H new ATOM 0 HB3 ARG A 24 -2.451 -1.695 -8.151 1.00 34.03 H new ATOM 0 HG2 ARG A 24 -4.641 -1.171 -7.044 1.00 1.42 H new ATOM 0 HG3 ARG A 24 -4.187 0.522 -7.034 1.00 1.42 H new ATOM 0 HD2 ARG A 24 -5.555 0.108 -8.974 1.00 73.22 H new ATOM 0 HD3 ARG A 24 -3.920 0.454 -9.503 1.00 73.22 H new ATOM 0 HE ARG A 24 -4.325 -2.402 -9.202 1.00 2.11 H new ATOM 0 HH11 ARG A 24 -4.704 0.353 -11.408 1.00 42.52 H new ATOM 0 HH12 ARG A 24 -4.945 -0.669 -12.829 1.00 42.52 H new ATOM 0 HH21 ARG A 24 -4.719 -3.695 -11.025 1.00 23.34 H new ATOM 0 HH22 ARG A 24 -4.953 -2.950 -12.610 1.00 23.34 H new ATOM 340 N GLU A 25 -0.620 -2.872 -6.726 1.00 21.53 N ATOM 341 CA GLU A 25 0.621 -3.615 -6.774 1.00 14.20 C ATOM 342 C GLU A 25 1.702 -2.905 -7.580 1.00 32.31 C ATOM 343 O GLU A 25 1.545 -2.635 -8.778 1.00 21.25 O ATOM 344 CB GLU A 25 0.422 -5.080 -7.236 1.00 15.24 C ATOM 345 CG GLU A 25 -0.524 -5.288 -8.424 1.00 52.11 C ATOM 346 CD GLU A 25 -1.983 -5.265 -8.031 1.00 3.43 C ATOM 347 OE1 GLU A 25 -2.539 -6.327 -7.676 1.00 22.20 O ATOM 348 OE2 GLU A 25 -2.616 -4.189 -8.076 1.00 55.32 O ATOM 0 H GLU A 25 -1.413 -3.361 -7.140 1.00 21.53 H new ATOM 0 HA GLU A 25 0.979 -3.658 -5.745 1.00 14.20 H new ATOM 0 HB2 GLU A 25 1.396 -5.493 -7.496 1.00 15.24 H new ATOM 0 HB3 GLU A 25 0.046 -5.658 -6.392 1.00 15.24 H new ATOM 0 HG2 GLU A 25 -0.342 -4.511 -9.166 1.00 52.11 H new ATOM 0 HG3 GLU A 25 -0.297 -6.242 -8.899 1.00 52.11 H new ATOM 355 N GLY A 26 2.776 -2.592 -6.912 1.00 32.23 N ATOM 356 CA GLY A 26 3.867 -1.892 -7.514 1.00 3.02 C ATOM 357 C GLY A 26 4.200 -0.689 -6.689 1.00 74.50 C ATOM 358 O GLY A 26 3.639 -0.511 -5.601 1.00 54.43 O ATOM 0 H GLY A 26 2.917 -2.819 -5.927 1.00 32.23 H new ATOM 0 HA2 GLY A 26 4.736 -2.546 -7.591 1.00 3.02 H new ATOM 0 HA3 GLY A 26 3.605 -1.590 -8.528 1.00 3.02 H new ATOM 362 N SER A 27 5.077 0.137 -7.151 1.00 44.30 N ATOM 363 CA SER A 27 5.409 1.295 -6.405 1.00 24.11 C ATOM 364 C SER A 27 4.608 2.492 -6.879 1.00 72.11 C ATOM 365 O SER A 27 4.679 2.903 -8.045 1.00 50.10 O ATOM 366 CB SER A 27 6.915 1.541 -6.374 1.00 60.13 C ATOM 367 OG SER A 27 7.465 1.642 -7.681 1.00 63.21 O ATOM 0 H SER A 27 5.572 0.030 -8.036 1.00 44.30 H new ATOM 0 HA SER A 27 5.125 1.126 -5.366 1.00 24.11 H new ATOM 0 HB2 SER A 27 7.121 2.458 -5.822 1.00 60.13 H new ATOM 0 HB3 SER A 27 7.404 0.729 -5.837 1.00 60.13 H new ATOM 0 HG SER A 27 6.802 2.036 -8.285 1.00 63.21 H new ATOM 373 N ASN A 28 3.837 3.032 -5.979 1.00 42.13 N ATOM 374 CA ASN A 28 2.952 4.120 -6.291 1.00 44.43 C ATOM 375 C ASN A 28 3.661 5.387 -5.914 1.00 75.44 C ATOM 376 O ASN A 28 3.913 5.636 -4.736 1.00 41.33 O ATOM 377 CB ASN A 28 1.591 4.024 -5.528 1.00 32.05 C ATOM 378 CG ASN A 28 0.717 2.776 -5.838 1.00 32.11 C ATOM 379 OD1 ASN A 28 -0.518 2.858 -5.842 1.00 2.31 O ATOM 380 ND2 ASN A 28 1.326 1.630 -6.037 1.00 70.12 N ATOM 0 H ASN A 28 3.804 2.730 -5.005 1.00 42.13 H new ATOM 0 HA ASN A 28 2.710 4.091 -7.353 1.00 44.43 H new ATOM 0 HB2 ASN A 28 1.796 4.041 -4.458 1.00 32.05 H new ATOM 0 HB3 ASN A 28 1.007 4.916 -5.755 1.00 32.05 H new ATOM 0 HD21 ASN A 28 0.780 0.784 -6.199 1.00 70.12 H new ATOM 0 HD22 ASN A 28 2.345 1.586 -6.029 1.00 70.12 H new ATOM 387 N ILE A 29 4.039 6.142 -6.901 1.00 71.53 N ATOM 388 CA ILE A 29 4.770 7.370 -6.680 1.00 73.42 C ATOM 389 C ILE A 29 3.789 8.501 -6.425 1.00 44.53 C ATOM 390 O ILE A 29 2.854 8.687 -7.184 1.00 5.02 O ATOM 391 CB ILE A 29 5.652 7.720 -7.905 1.00 62.43 C ATOM 392 CG1 ILE A 29 6.561 6.534 -8.267 1.00 21.32 C ATOM 393 CG2 ILE A 29 6.493 8.963 -7.615 1.00 23.44 C ATOM 394 CD1 ILE A 29 7.416 6.763 -9.495 1.00 33.42 C ATOM 0 H ILE A 29 3.854 5.932 -7.882 1.00 71.53 H new ATOM 0 HA ILE A 29 5.419 7.235 -5.815 1.00 73.42 H new ATOM 0 HB ILE A 29 5.000 7.930 -8.753 1.00 62.43 H new ATOM 0 HG12 ILE A 29 7.212 6.317 -7.420 1.00 21.32 H new ATOM 0 HG13 ILE A 29 5.942 5.651 -8.428 1.00 21.32 H new ATOM 0 HG21 ILE A 29 7.108 9.197 -8.484 1.00 23.44 H new ATOM 0 HG22 ILE A 29 5.835 9.805 -7.398 1.00 23.44 H new ATOM 0 HG23 ILE A 29 7.137 8.775 -6.756 1.00 23.44 H new ATOM 0 HD11 ILE A 29 8.027 5.880 -9.682 1.00 33.42 H new ATOM 0 HD12 ILE A 29 6.774 6.949 -10.356 1.00 33.42 H new ATOM 0 HD13 ILE A 29 8.063 7.625 -9.332 1.00 33.42 H new ATOM 406 N ILE A 30 3.998 9.218 -5.369 1.00 25.54 N ATOM 407 CA ILE A 30 3.154 10.316 -4.987 1.00 73.24 C ATOM 408 C ILE A 30 3.898 11.631 -5.225 1.00 11.41 C ATOM 409 O ILE A 30 5.099 11.758 -4.886 1.00 52.33 O ATOM 410 CB ILE A 30 2.731 10.203 -3.488 1.00 32.24 C ATOM 411 CG1 ILE A 30 2.020 8.859 -3.230 1.00 61.53 C ATOM 412 CG2 ILE A 30 1.854 11.381 -3.078 1.00 4.45 C ATOM 413 CD1 ILE A 30 1.630 8.626 -1.784 1.00 54.31 C ATOM 0 H ILE A 30 4.777 9.057 -4.730 1.00 25.54 H new ATOM 0 HA ILE A 30 2.249 10.290 -5.594 1.00 73.24 H new ATOM 0 HB ILE A 30 3.630 10.234 -2.873 1.00 32.24 H new ATOM 0 HG12 ILE A 30 1.123 8.811 -3.848 1.00 61.53 H new ATOM 0 HG13 ILE A 30 2.673 8.048 -3.553 1.00 61.53 H new ATOM 0 HG21 ILE A 30 1.573 11.278 -2.030 1.00 4.45 H new ATOM 0 HG22 ILE A 30 2.406 12.311 -3.216 1.00 4.45 H new ATOM 0 HG23 ILE A 30 0.955 11.397 -3.694 1.00 4.45 H new ATOM 0 HD11 ILE A 30 1.136 7.659 -1.692 1.00 54.31 H new ATOM 0 HD12 ILE A 30 2.523 8.638 -1.160 1.00 54.31 H new ATOM 0 HD13 ILE A 30 0.950 9.413 -1.459 1.00 54.31 H new ATOM 425 N GLY A 31 3.219 12.563 -5.846 1.00 71.44 N ATOM 426 CA GLY A 31 3.756 13.869 -6.108 1.00 5.25 C ATOM 427 C GLY A 31 3.072 14.466 -7.278 1.00 55.03 C ATOM 428 O GLY A 31 2.063 13.928 -7.739 1.00 61.35 O ATOM 0 H GLY A 31 2.267 12.431 -6.187 1.00 71.44 H new ATOM 0 HA2 GLY A 31 3.626 14.508 -5.234 1.00 5.25 H new ATOM 0 HA3 GLY A 31 4.827 13.801 -6.297 1.00 5.25 H new ATOM 432 N ARG A 32 3.557 15.571 -7.760 1.00 12.15 N ATOM 433 CA ARG A 32 2.943 16.174 -8.911 1.00 73.14 C ATOM 434 C ARG A 32 3.955 16.265 -10.006 1.00 51.15 C ATOM 435 O ARG A 32 4.867 17.096 -9.967 1.00 11.54 O ATOM 436 CB ARG A 32 2.386 17.552 -8.568 1.00 4.30 C ATOM 437 CG ARG A 32 1.324 17.508 -7.496 1.00 63.43 C ATOM 438 CD ARG A 32 0.846 18.897 -7.105 1.00 63.22 C ATOM 439 NE ARG A 32 0.274 19.671 -8.209 1.00 30.44 N ATOM 440 CZ ARG A 32 -0.292 20.878 -8.061 1.00 44.42 C ATOM 441 NH1 ARG A 32 -0.402 21.419 -6.850 1.00 2.23 N ATOM 442 NH2 ARG A 32 -0.761 21.524 -9.114 1.00 50.21 N ATOM 0 H ARG A 32 4.363 16.069 -7.383 1.00 12.15 H new ATOM 0 HA ARG A 32 2.107 15.558 -9.242 1.00 73.14 H new ATOM 0 HB2 ARG A 32 3.201 18.196 -8.238 1.00 4.30 H new ATOM 0 HB3 ARG A 32 1.968 18.003 -9.468 1.00 4.30 H new ATOM 0 HG2 ARG A 32 0.477 16.920 -7.850 1.00 63.43 H new ATOM 0 HG3 ARG A 32 1.719 17.000 -6.616 1.00 63.43 H new ATOM 0 HD2 ARG A 32 0.098 18.803 -6.317 1.00 63.22 H new ATOM 0 HD3 ARG A 32 1.684 19.452 -6.684 1.00 63.22 H new ATOM 0 HE ARG A 32 0.308 19.268 -9.146 1.00 30.44 H new ATOM 0 HH11 ARG A 32 -0.056 20.916 -6.033 1.00 2.23 H new ATOM 0 HH12 ARG A 32 -0.833 22.337 -6.739 1.00 2.23 H new ATOM 0 HH21 ARG A 32 -0.693 21.105 -10.041 1.00 50.21 H new ATOM 0 HH22 ARG A 32 -1.191 22.442 -8.999 1.00 50.21 H new ATOM 456 N GLY A 33 3.792 15.402 -10.951 1.00 40.11 N ATOM 457 CA GLY A 33 4.642 15.287 -12.078 1.00 72.45 C ATOM 458 C GLY A 33 4.162 14.127 -12.879 1.00 43.51 C ATOM 459 O GLY A 33 3.547 13.232 -12.316 1.00 53.03 O ATOM 0 H GLY A 33 3.026 14.728 -10.955 1.00 40.11 H new ATOM 0 HA2 GLY A 33 4.618 16.200 -12.672 1.00 72.45 H new ATOM 0 HA3 GLY A 33 5.676 15.137 -11.766 1.00 72.45 H new ATOM 463 N GLN A 34 4.443 14.104 -14.157 1.00 55.40 N ATOM 464 CA GLN A 34 3.944 13.036 -15.037 1.00 62.13 C ATOM 465 C GLN A 34 4.562 11.670 -14.702 1.00 31.32 C ATOM 466 O GLN A 34 4.027 10.628 -15.068 1.00 41.41 O ATOM 467 CB GLN A 34 4.183 13.387 -16.508 1.00 74.24 C ATOM 468 CG GLN A 34 5.647 13.471 -16.905 1.00 44.42 C ATOM 469 CD GLN A 34 5.835 13.871 -18.346 1.00 53.30 C ATOM 470 OE1 GLN A 34 5.034 14.623 -18.909 1.00 1.32 O ATOM 471 NE2 GLN A 34 6.840 13.336 -18.967 1.00 14.22 N ATOM 0 H GLN A 34 5.014 14.806 -14.628 1.00 55.40 H new ATOM 0 HA GLN A 34 2.871 12.957 -14.864 1.00 62.13 H new ATOM 0 HB2 GLN A 34 3.693 12.639 -17.131 1.00 74.24 H new ATOM 0 HB3 GLN A 34 3.706 14.343 -16.723 1.00 74.24 H new ATOM 0 HG2 GLN A 34 6.153 14.192 -16.263 1.00 44.42 H new ATOM 0 HG3 GLN A 34 6.122 12.505 -16.735 1.00 44.42 H new ATOM 0 HE21 GLN A 34 7.480 12.720 -18.466 1.00 14.22 H new ATOM 0 HE22 GLN A 34 6.991 13.532 -19.957 1.00 14.22 H new ATOM 480 N ASP A 35 5.662 11.694 -13.977 1.00 74.35 N ATOM 481 CA ASP A 35 6.381 10.475 -13.608 1.00 53.22 C ATOM 482 C ASP A 35 5.833 9.935 -12.276 1.00 15.44 C ATOM 483 O ASP A 35 6.242 8.897 -11.789 1.00 41.24 O ATOM 484 CB ASP A 35 7.887 10.786 -13.512 1.00 53.54 C ATOM 485 CG ASP A 35 8.775 9.554 -13.420 1.00 53.53 C ATOM 486 OD1 ASP A 35 8.959 8.863 -14.446 1.00 55.41 O ATOM 487 OD2 ASP A 35 9.352 9.293 -12.356 1.00 25.11 O ATOM 0 H ASP A 35 6.087 12.551 -13.625 1.00 74.35 H new ATOM 0 HA ASP A 35 6.235 9.706 -14.367 1.00 53.22 H new ATOM 0 HB2 ASP A 35 8.182 11.368 -14.385 1.00 53.54 H new ATOM 0 HB3 ASP A 35 8.062 11.412 -12.637 1.00 53.54 H new ATOM 492 N ALA A 36 4.882 10.661 -11.707 1.00 74.21 N ATOM 493 CA ALA A 36 4.251 10.270 -10.467 1.00 61.43 C ATOM 494 C ALA A 36 2.924 9.586 -10.766 1.00 72.20 C ATOM 495 O ALA A 36 2.276 9.877 -11.779 1.00 52.53 O ATOM 496 CB ALA A 36 4.041 11.475 -9.562 1.00 43.25 C ATOM 0 H ALA A 36 4.530 11.536 -12.096 1.00 74.21 H new ATOM 0 HA ALA A 36 4.904 9.571 -9.943 1.00 61.43 H new ATOM 0 HB1 ALA A 36 3.565 11.155 -8.635 1.00 43.25 H new ATOM 0 HB2 ALA A 36 5.004 11.933 -9.336 1.00 43.25 H new ATOM 0 HB3 ALA A 36 3.403 12.202 -10.066 1.00 43.25 H new ATOM 502 N GLN A 37 2.502 8.722 -9.891 1.00 12.10 N ATOM 503 CA GLN A 37 1.307 7.953 -10.094 1.00 4.54 C ATOM 504 C GLN A 37 0.114 8.605 -9.403 1.00 34.01 C ATOM 505 O GLN A 37 -0.959 8.757 -9.992 1.00 25.53 O ATOM 506 CB GLN A 37 1.523 6.528 -9.583 1.00 43.31 C ATOM 507 CG GLN A 37 2.645 5.781 -10.300 1.00 61.34 C ATOM 508 CD GLN A 37 2.429 5.714 -11.800 1.00 60.23 C ATOM 509 OE1 GLN A 37 2.862 6.591 -12.547 1.00 62.10 O ATOM 510 NE2 GLN A 37 1.750 4.697 -12.251 1.00 53.03 N ATOM 0 H GLN A 37 2.979 8.529 -9.010 1.00 12.10 H new ATOM 0 HA GLN A 37 1.087 7.917 -11.161 1.00 4.54 H new ATOM 0 HB2 GLN A 37 1.746 6.564 -8.517 1.00 43.31 H new ATOM 0 HB3 GLN A 37 0.595 5.967 -9.696 1.00 43.31 H new ATOM 0 HG2 GLN A 37 3.595 6.274 -10.094 1.00 61.34 H new ATOM 0 HG3 GLN A 37 2.717 4.769 -9.901 1.00 61.34 H new ATOM 0 HE21 GLN A 37 1.405 3.987 -11.605 1.00 53.03 H new ATOM 0 HE22 GLN A 37 1.564 4.611 -13.250 1.00 53.03 H new ATOM 519 N PHE A 38 0.303 8.991 -8.180 1.00 61.00 N ATOM 520 CA PHE A 38 -0.730 9.626 -7.411 1.00 51.41 C ATOM 521 C PHE A 38 -0.388 11.087 -7.260 1.00 63.52 C ATOM 522 O PHE A 38 0.658 11.441 -6.708 1.00 1.22 O ATOM 523 CB PHE A 38 -0.887 8.932 -6.056 1.00 21.32 C ATOM 524 CG PHE A 38 -1.879 9.573 -5.119 1.00 40.00 C ATOM 525 CD1 PHE A 38 -3.236 9.589 -5.403 1.00 74.12 C ATOM 526 CD2 PHE A 38 -1.445 10.150 -3.946 1.00 73.15 C ATOM 527 CE1 PHE A 38 -4.130 10.177 -4.527 1.00 42.21 C ATOM 528 CE2 PHE A 38 -2.317 10.731 -3.072 1.00 43.13 C ATOM 529 CZ PHE A 38 -3.668 10.747 -3.355 1.00 11.05 C ATOM 0 H PHE A 38 1.184 8.875 -7.680 1.00 61.00 H new ATOM 0 HA PHE A 38 -1.689 9.543 -7.922 1.00 51.41 H new ATOM 0 HB2 PHE A 38 -1.188 7.899 -6.228 1.00 21.32 H new ATOM 0 HB3 PHE A 38 0.086 8.903 -5.565 1.00 21.32 H new ATOM 0 HD1 PHE A 38 -3.598 9.139 -6.316 1.00 74.12 H new ATOM 0 HD2 PHE A 38 -0.391 10.142 -3.713 1.00 73.15 H new ATOM 0 HE1 PHE A 38 -5.185 10.191 -4.757 1.00 42.21 H new ATOM 0 HE2 PHE A 38 -1.951 11.178 -2.160 1.00 43.13 H new ATOM 0 HZ PHE A 38 -4.361 11.203 -2.664 1.00 11.05 H new ATOM 539 N ARG A 39 -1.244 11.921 -7.772 1.00 1.22 N ATOM 540 CA ARG A 39 -1.007 13.338 -7.793 1.00 34.45 C ATOM 541 C ARG A 39 -1.688 13.971 -6.605 1.00 12.30 C ATOM 542 O ARG A 39 -2.897 13.780 -6.403 1.00 4.51 O ATOM 543 CB ARG A 39 -1.567 13.940 -9.088 1.00 25.21 C ATOM 544 CG ARG A 39 -1.199 13.159 -10.344 1.00 62.40 C ATOM 545 CD ARG A 39 0.299 13.096 -10.589 1.00 40.12 C ATOM 546 NE ARG A 39 0.615 12.186 -11.698 1.00 12.43 N ATOM 547 CZ ARG A 39 0.682 12.521 -12.996 1.00 73.23 C ATOM 548 NH1 ARG A 39 0.520 13.783 -13.378 1.00 13.45 N ATOM 549 NH2 ARG A 39 0.957 11.583 -13.900 1.00 54.45 N ATOM 0 H ARG A 39 -2.131 11.638 -8.189 1.00 1.22 H new ATOM 0 HA ARG A 39 0.065 13.528 -7.747 1.00 34.45 H new ATOM 0 HB2 ARG A 39 -2.653 13.994 -9.011 1.00 25.21 H new ATOM 0 HB3 ARG A 39 -1.203 14.962 -9.189 1.00 25.21 H new ATOM 0 HG2 ARG A 39 -1.591 12.145 -10.262 1.00 62.40 H new ATOM 0 HG3 ARG A 39 -1.683 13.619 -11.206 1.00 62.40 H new ATOM 0 HD2 ARG A 39 0.676 14.094 -10.814 1.00 40.12 H new ATOM 0 HD3 ARG A 39 0.805 12.761 -9.684 1.00 40.12 H new ATOM 0 HE ARG A 39 0.800 11.212 -11.460 1.00 12.43 H new ATOM 0 HH11 ARG A 39 0.343 14.508 -12.682 1.00 13.45 H new ATOM 0 HH12 ARG A 39 0.573 14.027 -14.367 1.00 13.45 H new ATOM 0 HH21 ARG A 39 1.115 10.620 -13.604 1.00 54.45 H new ATOM 0 HH22 ARG A 39 1.010 11.828 -14.889 1.00 54.45 H new ATOM 563 N LEU A 40 -0.929 14.675 -5.802 1.00 22.21 N ATOM 564 CA LEU A 40 -1.497 15.379 -4.672 1.00 60.11 C ATOM 565 C LEU A 40 -2.154 16.658 -5.139 1.00 73.45 C ATOM 566 O LEU A 40 -1.644 17.318 -6.030 1.00 70.11 O ATOM 567 CB LEU A 40 -0.453 15.681 -3.596 1.00 0.01 C ATOM 568 CG LEU A 40 0.056 14.497 -2.784 1.00 33.12 C ATOM 569 CD1 LEU A 40 1.071 14.969 -1.774 1.00 42.21 C ATOM 570 CD2 LEU A 40 -1.091 13.806 -2.066 1.00 0.32 C ATOM 0 H LEU A 40 0.080 14.778 -5.907 1.00 22.21 H new ATOM 0 HA LEU A 40 -2.246 14.728 -4.221 1.00 60.11 H new ATOM 0 HB2 LEU A 40 0.402 16.157 -4.076 1.00 0.01 H new ATOM 0 HB3 LEU A 40 -0.877 16.410 -2.905 1.00 0.01 H new ATOM 0 HG LEU A 40 0.521 13.786 -3.466 1.00 33.12 H new ATOM 0 HD11 LEU A 40 1.432 14.118 -1.196 1.00 42.21 H new ATOM 0 HD12 LEU A 40 1.908 15.438 -2.291 1.00 42.21 H new ATOM 0 HD13 LEU A 40 0.608 15.693 -1.104 1.00 42.21 H new ATOM 0 HD21 LEU A 40 -0.706 12.963 -1.492 1.00 0.32 H new ATOM 0 HD22 LEU A 40 -1.577 14.512 -1.393 1.00 0.32 H new ATOM 0 HD23 LEU A 40 -1.814 13.446 -2.798 1.00 0.32 H new ATOM 582 N PRO A 41 -3.288 17.015 -4.554 1.00 64.33 N ATOM 583 CA PRO A 41 -4.034 18.198 -4.962 1.00 71.21 C ATOM 584 C PRO A 41 -3.540 19.512 -4.324 1.00 43.22 C ATOM 585 O PRO A 41 -4.148 20.571 -4.530 1.00 71.23 O ATOM 586 CB PRO A 41 -5.447 17.871 -4.496 1.00 14.51 C ATOM 587 CG PRO A 41 -5.265 17.028 -3.275 1.00 15.53 C ATOM 588 CD PRO A 41 -3.973 16.272 -3.470 1.00 41.44 C ATOM 0 HA PRO A 41 -3.932 18.385 -6.031 1.00 71.21 H new ATOM 0 HB2 PRO A 41 -6.008 18.778 -4.270 1.00 14.51 H new ATOM 0 HB3 PRO A 41 -6.003 17.336 -5.266 1.00 14.51 H new ATOM 0 HG2 PRO A 41 -5.222 17.647 -2.379 1.00 15.53 H new ATOM 0 HG3 PRO A 41 -6.102 16.341 -3.149 1.00 15.53 H new ATOM 0 HD2 PRO A 41 -3.377 16.256 -2.557 1.00 41.44 H new ATOM 0 HD3 PRO A 41 -4.155 15.234 -3.750 1.00 41.44 H new ATOM 596 N ASP A 42 -2.451 19.460 -3.570 1.00 11.41 N ATOM 597 CA ASP A 42 -1.923 20.665 -2.920 1.00 2.21 C ATOM 598 C ASP A 42 -0.595 21.004 -3.588 1.00 0.13 C ATOM 599 O ASP A 42 -0.093 20.212 -4.391 1.00 74.44 O ATOM 600 CB ASP A 42 -1.715 20.444 -1.411 1.00 3.10 C ATOM 601 CG ASP A 42 -1.836 21.733 -0.591 1.00 3.35 C ATOM 602 OD1 ASP A 42 -0.943 22.621 -0.660 1.00 44.53 O ATOM 603 OD2 ASP A 42 -2.837 21.883 0.149 1.00 71.52 O ATOM 0 H ASP A 42 -1.917 18.610 -3.391 1.00 11.41 H new ATOM 0 HA ASP A 42 -2.635 21.483 -3.029 1.00 2.21 H new ATOM 0 HB2 ASP A 42 -2.448 19.722 -1.051 1.00 3.10 H new ATOM 0 HB3 ASP A 42 -0.730 20.007 -1.246 1.00 3.10 H new ATOM 608 N THR A 43 -0.019 22.119 -3.267 1.00 10.51 N ATOM 609 CA THR A 43 1.182 22.566 -3.909 1.00 14.14 C ATOM 610 C THR A 43 2.334 22.538 -2.893 1.00 42.52 C ATOM 611 O THR A 43 2.098 22.547 -1.701 1.00 0.14 O ATOM 612 CB THR A 43 0.969 23.995 -4.464 1.00 41.34 C ATOM 613 OG1 THR A 43 -0.284 24.038 -5.175 1.00 3.44 O ATOM 614 CG2 THR A 43 2.071 24.376 -5.427 1.00 71.22 C ATOM 0 H THR A 43 -0.369 22.751 -2.547 1.00 10.51 H new ATOM 0 HA THR A 43 1.432 21.908 -4.741 1.00 14.14 H new ATOM 0 HB THR A 43 0.972 24.692 -3.626 1.00 41.34 H new ATOM 0 HG1 THR A 43 -0.428 24.940 -5.529 1.00 3.44 H new ATOM 0 HG21 THR A 43 1.895 25.385 -5.801 1.00 71.22 H new ATOM 0 HG22 THR A 43 3.031 24.342 -4.913 1.00 71.22 H new ATOM 0 HG23 THR A 43 2.082 23.676 -6.263 1.00 71.22 H new ATOM 622 N GLY A 44 3.552 22.449 -3.366 1.00 3.40 N ATOM 623 CA GLY A 44 4.697 22.405 -2.484 1.00 73.23 C ATOM 624 C GLY A 44 5.348 21.062 -2.560 1.00 3.22 C ATOM 625 O GLY A 44 6.527 20.897 -2.254 1.00 64.45 O ATOM 0 H GLY A 44 3.779 22.405 -4.359 1.00 3.40 H new ATOM 0 HA2 GLY A 44 5.411 23.181 -2.762 1.00 73.23 H new ATOM 0 HA3 GLY A 44 4.386 22.610 -1.460 1.00 73.23 H new ATOM 629 N VAL A 45 4.576 20.107 -2.980 1.00 53.22 N ATOM 630 CA VAL A 45 5.039 18.766 -3.165 1.00 61.43 C ATOM 631 C VAL A 45 5.846 18.689 -4.474 1.00 23.13 C ATOM 632 O VAL A 45 5.454 19.278 -5.500 1.00 13.35 O ATOM 633 CB VAL A 45 3.838 17.757 -3.165 1.00 64.00 C ATOM 634 CG1 VAL A 45 2.800 18.113 -4.210 1.00 32.24 C ATOM 635 CG2 VAL A 45 4.312 16.333 -3.354 1.00 42.23 C ATOM 0 H VAL A 45 3.591 20.240 -3.208 1.00 53.22 H new ATOM 0 HA VAL A 45 5.689 18.485 -2.336 1.00 61.43 H new ATOM 0 HB VAL A 45 3.365 17.833 -2.186 1.00 64.00 H new ATOM 0 HG11 VAL A 45 1.986 17.389 -4.176 1.00 32.24 H new ATOM 0 HG12 VAL A 45 2.408 19.110 -4.008 1.00 32.24 H new ATOM 0 HG13 VAL A 45 3.259 18.097 -5.199 1.00 32.24 H new ATOM 0 HG21 VAL A 45 3.454 15.660 -3.349 1.00 42.23 H new ATOM 0 HG22 VAL A 45 4.835 16.247 -4.306 1.00 42.23 H new ATOM 0 HG23 VAL A 45 4.989 16.064 -2.543 1.00 42.23 H new ATOM 645 N SER A 46 6.965 18.016 -4.428 1.00 74.13 N ATOM 646 CA SER A 46 7.846 17.879 -5.568 1.00 72.12 C ATOM 647 C SER A 46 7.205 16.979 -6.661 1.00 70.11 C ATOM 648 O SER A 46 6.071 16.479 -6.486 1.00 10.24 O ATOM 649 CB SER A 46 9.159 17.290 -5.071 1.00 31.50 C ATOM 650 OG SER A 46 9.621 18.013 -3.925 1.00 44.13 O ATOM 0 H SER A 46 7.299 17.540 -3.590 1.00 74.13 H new ATOM 0 HA SER A 46 8.023 18.852 -6.027 1.00 72.12 H new ATOM 0 HB2 SER A 46 9.022 16.239 -4.816 1.00 31.50 H new ATOM 0 HB3 SER A 46 9.907 17.331 -5.862 1.00 31.50 H new ATOM 0 HG SER A 46 10.501 18.399 -4.115 1.00 44.13 H new ATOM 656 N ARG A 47 7.890 16.805 -7.795 1.00 12.44 N ATOM 657 CA ARG A 47 7.361 15.949 -8.853 1.00 21.01 C ATOM 658 C ARG A 47 7.249 14.513 -8.388 1.00 22.41 C ATOM 659 O ARG A 47 6.272 13.835 -8.668 1.00 34.32 O ATOM 660 CB ARG A 47 8.112 16.089 -10.185 1.00 41.32 C ATOM 661 CG ARG A 47 9.607 15.909 -10.119 1.00 11.51 C ATOM 662 CD ARG A 47 10.224 16.018 -11.496 1.00 51.43 C ATOM 663 NE ARG A 47 9.953 17.311 -12.142 1.00 31.22 N ATOM 664 CZ ARG A 47 10.831 18.024 -12.857 1.00 14.04 C ATOM 665 NH1 ARG A 47 12.108 17.672 -12.897 1.00 70.23 N ATOM 666 NH2 ARG A 47 10.429 19.103 -13.510 1.00 33.52 N ATOM 0 H ARG A 47 8.792 17.236 -7.999 1.00 12.44 H new ATOM 0 HA ARG A 47 6.352 16.301 -9.066 1.00 21.01 H new ATOM 0 HB2 ARG A 47 7.708 15.359 -10.886 1.00 41.32 H new ATOM 0 HB3 ARG A 47 7.902 17.076 -10.596 1.00 41.32 H new ATOM 0 HG2 ARG A 47 10.040 16.663 -9.461 1.00 11.51 H new ATOM 0 HG3 ARG A 47 9.842 14.936 -9.687 1.00 11.51 H new ATOM 0 HD2 ARG A 47 11.302 15.875 -11.418 1.00 51.43 H new ATOM 0 HD3 ARG A 47 9.840 15.215 -12.126 1.00 51.43 H new ATOM 0 HE ARG A 47 9.015 17.698 -12.036 1.00 31.22 H new ATOM 0 HH11 ARG A 47 12.428 16.853 -12.381 1.00 70.23 H new ATOM 0 HH12 ARG A 47 12.771 18.221 -13.444 1.00 70.23 H new ATOM 0 HH21 ARG A 47 9.451 19.390 -13.468 1.00 33.52 H new ATOM 0 HH22 ARG A 47 11.097 19.648 -14.055 1.00 33.52 H new ATOM 680 N ARG A 48 8.239 14.071 -7.660 1.00 2.54 N ATOM 681 CA ARG A 48 8.201 12.798 -7.003 1.00 63.15 C ATOM 682 C ARG A 48 8.633 13.045 -5.609 1.00 74.44 C ATOM 683 O ARG A 48 9.756 13.458 -5.368 1.00 73.14 O ATOM 684 CB ARG A 48 9.111 11.781 -7.646 1.00 44.15 C ATOM 685 CG ARG A 48 8.790 11.482 -9.084 1.00 64.44 C ATOM 686 CD ARG A 48 9.688 10.404 -9.602 1.00 14.31 C ATOM 687 NE ARG A 48 11.097 10.758 -9.464 1.00 53.23 N ATOM 688 CZ ARG A 48 12.070 10.292 -10.223 1.00 45.35 C ATOM 689 NH1 ARG A 48 11.786 9.559 -11.299 1.00 50.31 N ATOM 690 NH2 ARG A 48 13.332 10.609 -9.940 1.00 53.40 N ATOM 0 H ARG A 48 9.102 14.592 -7.507 1.00 2.54 H new ATOM 0 HA ARG A 48 7.195 12.382 -7.065 1.00 63.15 H new ATOM 0 HB2 ARG A 48 10.138 12.139 -7.583 1.00 44.15 H new ATOM 0 HB3 ARG A 48 9.061 10.854 -7.075 1.00 44.15 H new ATOM 0 HG2 ARG A 48 7.749 11.172 -9.175 1.00 64.44 H new ATOM 0 HG3 ARG A 48 8.908 12.383 -9.685 1.00 64.44 H new ATOM 0 HD2 ARG A 48 9.492 9.477 -9.063 1.00 14.31 H new ATOM 0 HD3 ARG A 48 9.462 10.216 -10.652 1.00 14.31 H new ATOM 0 HE ARG A 48 11.348 11.415 -8.725 1.00 53.23 H new ATOM 0 HH11 ARG A 48 10.815 9.357 -11.537 1.00 50.31 H new ATOM 0 HH12 ARG A 48 12.540 9.200 -11.885 1.00 50.31 H new ATOM 0 HH21 ARG A 48 13.541 11.208 -9.141 1.00 53.40 H new ATOM 0 HH22 ARG A 48 14.090 10.253 -10.522 1.00 53.40 H new ATOM 704 N HIS A 49 7.747 12.863 -4.716 1.00 51.40 N ATOM 705 CA HIS A 49 7.995 13.183 -3.341 1.00 2.32 C ATOM 706 C HIS A 49 8.236 11.922 -2.543 1.00 3.24 C ATOM 707 O HIS A 49 9.070 11.880 -1.651 1.00 24.21 O ATOM 708 CB HIS A 49 6.795 13.965 -2.793 1.00 10.24 C ATOM 709 CG HIS A 49 6.937 14.434 -1.384 1.00 51.13 C ATOM 710 ND1 HIS A 49 7.138 15.755 -1.082 1.00 21.12 N ATOM 711 CD2 HIS A 49 6.886 13.720 -0.247 1.00 0.24 C ATOM 712 CE1 HIS A 49 7.207 15.797 0.237 1.00 12.33 C ATOM 713 NE2 HIS A 49 7.062 14.585 0.771 1.00 63.40 N ATOM 0 H HIS A 49 6.818 12.486 -4.902 1.00 51.40 H new ATOM 0 HA HIS A 49 8.890 13.799 -3.258 1.00 2.32 H new ATOM 0 HB2 HIS A 49 6.622 14.831 -3.432 1.00 10.24 H new ATOM 0 HB3 HIS A 49 5.908 13.335 -2.863 1.00 10.24 H new ATOM 0 HD2 HIS A 49 6.733 12.654 -0.165 1.00 0.24 H new ATOM 0 HE1 HIS A 49 7.361 16.700 0.810 1.00 12.33 H new ATOM 0 HE2 HIS A 49 7.081 14.355 1.765 1.00 63.40 H new ATOM 721 N LEU A 50 7.501 10.905 -2.863 1.00 43.33 N ATOM 722 CA LEU A 50 7.571 9.678 -2.142 1.00 64.34 C ATOM 723 C LEU A 50 7.003 8.581 -3.005 1.00 54.43 C ATOM 724 O LEU A 50 6.222 8.855 -3.894 1.00 12.21 O ATOM 725 CB LEU A 50 6.834 9.872 -0.774 1.00 35.34 C ATOM 726 CG LEU A 50 6.575 8.662 0.124 1.00 23.24 C ATOM 727 CD1 LEU A 50 6.405 9.137 1.544 1.00 42.24 C ATOM 728 CD2 LEU A 50 5.298 7.955 -0.294 1.00 55.23 C ATOM 0 H LEU A 50 6.834 10.904 -3.634 1.00 43.33 H new ATOM 0 HA LEU A 50 8.594 9.385 -1.908 1.00 64.34 H new ATOM 0 HB2 LEU A 50 7.410 10.592 -0.193 1.00 35.34 H new ATOM 0 HB3 LEU A 50 5.869 10.333 -0.986 1.00 35.34 H new ATOM 0 HG LEU A 50 7.416 7.974 0.039 1.00 23.24 H new ATOM 0 HD11 LEU A 50 6.220 8.282 2.194 1.00 42.24 H new ATOM 0 HD12 LEU A 50 7.311 9.649 1.867 1.00 42.24 H new ATOM 0 HD13 LEU A 50 5.561 9.824 1.599 1.00 42.24 H new ATOM 0 HD21 LEU A 50 5.128 7.096 0.355 1.00 55.23 H new ATOM 0 HD22 LEU A 50 4.457 8.644 -0.212 1.00 55.23 H new ATOM 0 HD23 LEU A 50 5.390 7.617 -1.326 1.00 55.23 H new ATOM 740 N GLU A 51 7.431 7.375 -2.791 1.00 55.42 N ATOM 741 CA GLU A 51 6.951 6.241 -3.541 1.00 31.33 C ATOM 742 C GLU A 51 6.729 5.063 -2.613 1.00 55.03 C ATOM 743 O GLU A 51 7.612 4.671 -1.859 1.00 53.21 O ATOM 744 CB GLU A 51 7.920 5.891 -4.693 1.00 2.41 C ATOM 745 CG GLU A 51 9.374 5.737 -4.256 1.00 64.44 C ATOM 746 CD GLU A 51 10.356 5.507 -5.389 1.00 64.53 C ATOM 747 OE1 GLU A 51 9.978 4.963 -6.450 1.00 12.33 O ATOM 748 OE2 GLU A 51 11.554 5.824 -5.210 1.00 23.53 O ATOM 0 H GLU A 51 8.130 7.141 -2.086 1.00 55.42 H new ATOM 0 HA GLU A 51 5.994 6.496 -3.996 1.00 31.33 H new ATOM 0 HB2 GLU A 51 7.592 4.963 -5.161 1.00 2.41 H new ATOM 0 HB3 GLU A 51 7.860 6.670 -5.453 1.00 2.41 H new ATOM 0 HG2 GLU A 51 9.672 6.633 -3.711 1.00 64.44 H new ATOM 0 HG3 GLU A 51 9.443 4.902 -3.559 1.00 64.44 H new ATOM 755 N ILE A 52 5.549 4.533 -2.621 1.00 23.34 N ATOM 756 CA ILE A 52 5.262 3.402 -1.783 1.00 64.40 C ATOM 757 C ILE A 52 5.347 2.150 -2.609 1.00 22.41 C ATOM 758 O ILE A 52 4.605 1.993 -3.574 1.00 30.31 O ATOM 759 CB ILE A 52 3.871 3.477 -1.124 1.00 52.33 C ATOM 760 CG1 ILE A 52 3.730 4.785 -0.338 1.00 24.12 C ATOM 761 CG2 ILE A 52 3.697 2.275 -0.198 1.00 60.30 C ATOM 762 CD1 ILE A 52 2.369 5.005 0.290 1.00 4.54 C ATOM 0 H ILE A 52 4.769 4.858 -3.192 1.00 23.34 H new ATOM 0 HA ILE A 52 5.998 3.399 -0.979 1.00 64.40 H new ATOM 0 HB ILE A 52 3.098 3.457 -1.892 1.00 52.33 H new ATOM 0 HG12 ILE A 52 4.485 4.803 0.448 1.00 24.12 H new ATOM 0 HG13 ILE A 52 3.946 5.619 -1.006 1.00 24.12 H new ATOM 0 HG21 ILE A 52 2.715 2.318 0.274 1.00 60.30 H new ATOM 0 HG22 ILE A 52 3.781 1.355 -0.776 1.00 60.30 H new ATOM 0 HG23 ILE A 52 4.470 2.293 0.570 1.00 60.30 H new ATOM 0 HD11 ILE A 52 2.364 5.955 0.825 1.00 4.54 H new ATOM 0 HD12 ILE A 52 1.607 5.023 -0.489 1.00 4.54 H new ATOM 0 HD13 ILE A 52 2.155 4.195 0.987 1.00 4.54 H new ATOM 774 N ARG A 53 6.233 1.276 -2.245 1.00 44.40 N ATOM 775 CA ARG A 53 6.414 0.050 -2.960 1.00 22.20 C ATOM 776 C ARG A 53 5.524 -0.973 -2.316 1.00 51.03 C ATOM 777 O ARG A 53 5.767 -1.416 -1.189 1.00 4.34 O ATOM 778 CB ARG A 53 7.882 -0.389 -2.905 1.00 60.44 C ATOM 779 CG ARG A 53 8.842 0.750 -3.179 1.00 4.22 C ATOM 780 CD ARG A 53 10.298 0.299 -3.265 1.00 23.22 C ATOM 781 NE ARG A 53 11.228 1.444 -3.225 1.00 70.41 N ATOM 782 CZ ARG A 53 11.360 2.390 -4.169 1.00 71.35 C ATOM 783 NH1 ARG A 53 10.772 2.263 -5.360 1.00 10.01 N ATOM 784 NH2 ARG A 53 12.137 3.434 -3.931 1.00 54.54 N ATOM 0 H ARG A 53 6.852 1.392 -1.443 1.00 44.40 H new ATOM 0 HA ARG A 53 6.154 0.171 -4.012 1.00 22.20 H new ATOM 0 HB2 ARG A 53 8.095 -0.810 -1.922 1.00 60.44 H new ATOM 0 HB3 ARG A 53 8.048 -1.182 -3.634 1.00 60.44 H new ATOM 0 HG2 ARG A 53 8.563 1.236 -4.114 1.00 4.22 H new ATOM 0 HG3 ARG A 53 8.745 1.496 -2.391 1.00 4.22 H new ATOM 0 HD2 ARG A 53 10.519 -0.378 -2.440 1.00 23.22 H new ATOM 0 HD3 ARG A 53 10.451 -0.262 -4.187 1.00 23.22 H new ATOM 0 HE ARG A 53 11.827 1.524 -2.403 1.00 70.41 H new ATOM 0 HH11 ARG A 53 10.211 1.437 -5.566 1.00 10.01 H new ATOM 0 HH12 ARG A 53 10.884 2.992 -6.064 1.00 10.01 H new ATOM 0 HH21 ARG A 53 12.627 3.513 -3.040 1.00 54.54 H new ATOM 0 HH22 ARG A 53 12.247 4.160 -4.639 1.00 54.54 H new ATOM 798 N TRP A 54 4.479 -1.303 -2.994 1.00 5.44 N ATOM 799 CA TRP A 54 3.521 -2.227 -2.479 1.00 52.20 C ATOM 800 C TRP A 54 3.701 -3.582 -3.113 1.00 53.34 C ATOM 801 O TRP A 54 3.562 -3.760 -4.348 1.00 75.20 O ATOM 802 CB TRP A 54 2.077 -1.690 -2.630 1.00 51.31 C ATOM 803 CG TRP A 54 0.980 -2.688 -2.296 1.00 12.34 C ATOM 804 CD1 TRP A 54 -0.028 -3.078 -3.120 1.00 60.32 C ATOM 805 CD2 TRP A 54 0.798 -3.426 -1.076 1.00 14.23 C ATOM 806 NE1 TRP A 54 -0.830 -3.998 -2.492 1.00 32.13 N ATOM 807 CE2 TRP A 54 -0.347 -4.229 -1.242 1.00 50.11 C ATOM 808 CE3 TRP A 54 1.478 -3.482 0.130 1.00 63.10 C ATOM 809 CZ2 TRP A 54 -0.817 -5.079 -0.244 1.00 32.11 C ATOM 810 CZ3 TRP A 54 1.016 -4.324 1.121 1.00 52.20 C ATOM 811 CH2 TRP A 54 -0.123 -5.111 0.928 1.00 41.53 C ATOM 0 H TRP A 54 4.262 -0.941 -3.923 1.00 5.44 H new ATOM 0 HA TRP A 54 3.694 -2.343 -1.409 1.00 52.20 H new ATOM 0 HB2 TRP A 54 1.961 -0.818 -1.987 1.00 51.31 H new ATOM 0 HB3 TRP A 54 1.938 -1.350 -3.656 1.00 51.31 H new ATOM 0 HD1 TRP A 54 -0.177 -2.715 -4.126 1.00 60.32 H new ATOM 0 HE1 TRP A 54 -1.656 -4.438 -2.898 1.00 32.13 H new ATOM 0 HE3 TRP A 54 2.357 -2.876 0.292 1.00 63.10 H new ATOM 0 HZ2 TRP A 54 -1.696 -5.688 -0.393 1.00 32.11 H new ATOM 0 HZ3 TRP A 54 1.544 -4.376 2.062 1.00 52.20 H new ATOM 0 HH2 TRP A 54 -0.460 -5.758 1.725 1.00 41.53 H new ATOM 822 N ASP A 55 4.030 -4.516 -2.284 1.00 63.13 N ATOM 823 CA ASP A 55 4.234 -5.871 -2.682 1.00 51.34 C ATOM 824 C ASP A 55 3.226 -6.704 -1.929 1.00 75.12 C ATOM 825 O ASP A 55 2.712 -6.249 -0.916 1.00 44.31 O ATOM 826 CB ASP A 55 5.658 -6.303 -2.323 1.00 2.13 C ATOM 827 CG ASP A 55 6.014 -7.636 -2.907 1.00 35.32 C ATOM 828 OD1 ASP A 55 6.305 -7.692 -4.127 1.00 23.14 O ATOM 829 OD2 ASP A 55 5.973 -8.639 -2.199 1.00 25.44 O ATOM 0 H ASP A 55 4.168 -4.355 -1.286 1.00 63.13 H new ATOM 0 HA ASP A 55 4.107 -5.994 -3.758 1.00 51.34 H new ATOM 0 HB2 ASP A 55 6.363 -5.553 -2.680 1.00 2.13 H new ATOM 0 HB3 ASP A 55 5.760 -6.345 -1.239 1.00 2.13 H new ATOM 834 N GLY A 56 2.953 -7.912 -2.375 1.00 21.23 N ATOM 835 CA GLY A 56 1.973 -8.768 -1.703 1.00 74.52 C ATOM 836 C GLY A 56 2.518 -9.401 -0.421 1.00 21.10 C ATOM 837 O GLY A 56 2.218 -10.555 -0.105 1.00 65.54 O ATOM 0 H GLY A 56 3.389 -8.331 -3.196 1.00 21.23 H new ATOM 0 HA2 GLY A 56 1.087 -8.180 -1.464 1.00 74.52 H new ATOM 0 HA3 GLY A 56 1.657 -9.556 -2.386 1.00 74.52 H new ATOM 841 N GLN A 57 3.300 -8.633 0.299 1.00 4.43 N ATOM 842 CA GLN A 57 3.928 -9.031 1.527 1.00 5.22 C ATOM 843 C GLN A 57 3.800 -7.886 2.526 1.00 73.43 C ATOM 844 O GLN A 57 3.016 -7.965 3.473 1.00 31.44 O ATOM 845 CB GLN A 57 5.414 -9.397 1.294 1.00 11.25 C ATOM 846 CG GLN A 57 5.620 -10.647 0.432 1.00 32.13 C ATOM 847 CD GLN A 57 7.083 -10.953 0.118 1.00 61.31 C ATOM 848 OE1 GLN A 57 7.463 -12.115 -0.024 1.00 63.35 O ATOM 849 NE2 GLN A 57 7.887 -9.935 -0.061 1.00 61.04 N ATOM 0 H GLN A 57 3.523 -7.675 0.030 1.00 4.43 H new ATOM 0 HA GLN A 57 3.436 -9.920 1.921 1.00 5.22 H new ATOM 0 HB2 GLN A 57 5.915 -8.554 0.819 1.00 11.25 H new ATOM 0 HB3 GLN A 57 5.895 -9.551 2.260 1.00 11.25 H new ATOM 0 HG2 GLN A 57 5.182 -11.504 0.943 1.00 32.13 H new ATOM 0 HG3 GLN A 57 5.077 -10.523 -0.505 1.00 32.13 H new ATOM 0 HE21 GLN A 57 7.541 -8.984 0.065 1.00 61.04 H new ATOM 0 HE22 GLN A 57 8.859 -10.093 -0.326 1.00 61.04 H new ATOM 858 N VAL A 58 4.520 -6.801 2.279 1.00 5.34 N ATOM 859 CA VAL A 58 4.484 -5.621 3.141 1.00 42.03 C ATOM 860 C VAL A 58 4.456 -4.360 2.293 1.00 45.51 C ATOM 861 O VAL A 58 4.813 -4.394 1.104 1.00 72.44 O ATOM 862 CB VAL A 58 5.688 -5.540 4.144 1.00 72.35 C ATOM 863 CG1 VAL A 58 5.667 -6.685 5.144 1.00 25.41 C ATOM 864 CG2 VAL A 58 7.027 -5.496 3.411 1.00 41.13 C ATOM 0 H VAL A 58 5.145 -6.711 1.478 1.00 5.34 H new ATOM 0 HA VAL A 58 3.576 -5.708 3.738 1.00 42.03 H new ATOM 0 HB VAL A 58 5.573 -4.608 4.698 1.00 72.35 H new ATOM 0 HG11 VAL A 58 6.517 -6.593 5.821 1.00 25.41 H new ATOM 0 HG12 VAL A 58 4.741 -6.650 5.718 1.00 25.41 H new ATOM 0 HG13 VAL A 58 5.728 -7.634 4.612 1.00 25.41 H new ATOM 0 HG21 VAL A 58 7.838 -5.440 4.137 1.00 41.13 H new ATOM 0 HG22 VAL A 58 7.141 -6.397 2.808 1.00 41.13 H new ATOM 0 HG23 VAL A 58 7.059 -4.620 2.764 1.00 41.13 H new ATOM 874 N ALA A 59 4.010 -3.277 2.881 1.00 64.44 N ATOM 875 CA ALA A 59 3.953 -2.001 2.213 1.00 1.21 C ATOM 876 C ALA A 59 5.176 -1.190 2.575 1.00 73.33 C ATOM 877 O ALA A 59 5.316 -0.691 3.706 1.00 45.43 O ATOM 878 CB ALA A 59 2.676 -1.259 2.569 1.00 5.25 C ATOM 0 H ALA A 59 3.674 -3.257 3.844 1.00 64.44 H new ATOM 0 HA ALA A 59 3.944 -2.162 1.135 1.00 1.21 H new ATOM 0 HB1 ALA A 59 2.657 -0.299 2.052 1.00 5.25 H new ATOM 0 HB2 ALA A 59 1.814 -1.852 2.265 1.00 5.25 H new ATOM 0 HB3 ALA A 59 2.640 -1.092 3.646 1.00 5.25 H new ATOM 884 N LEU A 60 6.060 -1.080 1.639 1.00 53.43 N ATOM 885 CA LEU A 60 7.305 -0.414 1.836 1.00 13.24 C ATOM 886 C LEU A 60 7.201 1.066 1.480 1.00 3.44 C ATOM 887 O LEU A 60 7.024 1.439 0.329 1.00 74.24 O ATOM 888 CB LEU A 60 8.370 -1.120 1.012 1.00 71.33 C ATOM 889 CG LEU A 60 9.769 -0.533 1.018 1.00 12.22 C ATOM 890 CD1 LEU A 60 10.331 -0.495 2.429 1.00 2.55 C ATOM 891 CD2 LEU A 60 10.645 -1.363 0.116 1.00 31.13 C ATOM 0 H LEU A 60 5.935 -1.457 0.699 1.00 53.43 H new ATOM 0 HA LEU A 60 7.583 -0.458 2.889 1.00 13.24 H new ATOM 0 HB2 LEU A 60 8.437 -2.150 1.362 1.00 71.33 H new ATOM 0 HB3 LEU A 60 8.026 -1.156 -0.022 1.00 71.33 H new ATOM 0 HG LEU A 60 9.736 0.493 0.651 1.00 12.22 H new ATOM 0 HD11 LEU A 60 11.335 -0.071 2.410 1.00 2.55 H new ATOM 0 HD12 LEU A 60 9.689 0.120 3.060 1.00 2.55 H new ATOM 0 HD13 LEU A 60 10.373 -1.507 2.831 1.00 2.55 H new ATOM 0 HD21 LEU A 60 11.655 -0.952 0.111 1.00 31.13 H new ATOM 0 HD22 LEU A 60 10.673 -2.390 0.480 1.00 31.13 H new ATOM 0 HD23 LEU A 60 10.242 -1.348 -0.897 1.00 31.13 H new ATOM 903 N LEU A 61 7.302 1.878 2.475 1.00 33.33 N ATOM 904 CA LEU A 61 7.227 3.306 2.350 1.00 63.54 C ATOM 905 C LEU A 61 8.621 3.811 2.042 1.00 63.53 C ATOM 906 O LEU A 61 9.556 3.540 2.792 1.00 43.41 O ATOM 907 CB LEU A 61 6.681 3.871 3.698 1.00 5.13 C ATOM 908 CG LEU A 61 6.400 5.390 3.872 1.00 14.54 C ATOM 909 CD1 LEU A 61 7.661 6.250 3.860 1.00 5.44 C ATOM 910 CD2 LEU A 61 5.408 5.863 2.833 1.00 43.30 C ATOM 0 H LEU A 61 7.444 1.562 3.434 1.00 33.33 H new ATOM 0 HA LEU A 61 6.560 3.626 1.550 1.00 63.54 H new ATOM 0 HB2 LEU A 61 5.749 3.347 3.910 1.00 5.13 H new ATOM 0 HB3 LEU A 61 7.391 3.586 4.475 1.00 5.13 H new ATOM 0 HG LEU A 61 5.968 5.514 4.865 1.00 14.54 H new ATOM 0 HD11 LEU A 61 7.388 7.298 3.986 1.00 5.44 H new ATOM 0 HD12 LEU A 61 8.317 5.945 4.675 1.00 5.44 H new ATOM 0 HD13 LEU A 61 8.180 6.122 2.910 1.00 5.44 H new ATOM 0 HD21 LEU A 61 5.221 6.928 2.967 1.00 43.30 H new ATOM 0 HD22 LEU A 61 5.814 5.688 1.837 1.00 43.30 H new ATOM 0 HD23 LEU A 61 4.473 5.313 2.946 1.00 43.30 H new ATOM 922 N ALA A 62 8.768 4.498 0.942 1.00 72.45 N ATOM 923 CA ALA A 62 10.039 5.047 0.561 1.00 2.51 C ATOM 924 C ALA A 62 9.891 6.519 0.234 1.00 45.12 C ATOM 925 O ALA A 62 9.087 6.899 -0.617 1.00 12.30 O ATOM 926 CB ALA A 62 10.605 4.287 -0.619 1.00 24.21 C ATOM 0 H ALA A 62 8.011 4.692 0.286 1.00 72.45 H new ATOM 0 HA ALA A 62 10.734 4.948 1.395 1.00 2.51 H new ATOM 0 HB1 ALA A 62 11.569 4.713 -0.898 1.00 24.21 H new ATOM 0 HB2 ALA A 62 10.736 3.239 -0.348 1.00 24.21 H new ATOM 0 HB3 ALA A 62 9.918 4.360 -1.462 1.00 24.21 H new ATOM 932 N ASP A 63 10.641 7.338 0.915 1.00 2.43 N ATOM 933 CA ASP A 63 10.606 8.780 0.709 1.00 32.13 C ATOM 934 C ASP A 63 11.542 9.153 -0.429 1.00 60.51 C ATOM 935 O ASP A 63 12.580 8.502 -0.615 1.00 52.55 O ATOM 936 CB ASP A 63 11.005 9.491 2.008 1.00 62.04 C ATOM 937 CG ASP A 63 11.185 10.984 1.860 1.00 44.23 C ATOM 938 OD1 ASP A 63 10.188 11.715 1.847 1.00 3.31 O ATOM 939 OD2 ASP A 63 12.350 11.435 1.804 1.00 52.41 O ATOM 0 H ASP A 63 11.299 7.036 1.633 1.00 2.43 H new ATOM 0 HA ASP A 63 9.598 9.095 0.440 1.00 32.13 H new ATOM 0 HB2 ASP A 63 10.243 9.300 2.764 1.00 62.04 H new ATOM 0 HB3 ASP A 63 11.935 9.058 2.377 1.00 62.04 H new ATOM 944 N LEU A 64 11.194 10.156 -1.196 1.00 72.12 N ATOM 945 CA LEU A 64 12.009 10.578 -2.316 1.00 52.01 C ATOM 946 C LEU A 64 12.122 12.109 -2.246 1.00 22.22 C ATOM 947 O LEU A 64 11.452 12.836 -2.998 1.00 73.45 O ATOM 948 CB LEU A 64 11.283 10.131 -3.631 1.00 0.42 C ATOM 949 CG LEU A 64 12.056 10.072 -4.987 1.00 14.32 C ATOM 950 CD1 LEU A 64 12.652 11.399 -5.426 1.00 71.32 C ATOM 951 CD2 LEU A 64 13.108 8.986 -4.970 1.00 0.24 C ATOM 0 H LEU A 64 10.343 10.703 -1.066 1.00 72.12 H new ATOM 0 HA LEU A 64 13.006 10.139 -2.295 1.00 52.01 H new ATOM 0 HB2 LEU A 64 10.876 9.136 -3.450 1.00 0.42 H new ATOM 0 HB3 LEU A 64 10.436 10.802 -3.774 1.00 0.42 H new ATOM 0 HG LEU A 64 11.303 9.827 -5.736 1.00 14.32 H new ATOM 0 HD11 LEU A 64 13.171 11.268 -6.376 1.00 71.32 H new ATOM 0 HD12 LEU A 64 11.856 12.134 -5.545 1.00 71.32 H new ATOM 0 HD13 LEU A 64 13.358 11.748 -4.672 1.00 71.32 H new ATOM 0 HD21 LEU A 64 13.629 8.969 -5.927 1.00 0.24 H new ATOM 0 HD22 LEU A 64 13.823 9.184 -4.171 1.00 0.24 H new ATOM 0 HD23 LEU A 64 12.632 8.021 -4.799 1.00 0.24 H new ATOM 963 N ASN A 65 12.957 12.607 -1.356 1.00 12.02 N ATOM 964 CA ASN A 65 13.108 14.044 -1.213 1.00 52.12 C ATOM 965 C ASN A 65 14.215 14.340 -0.239 1.00 2.45 C ATOM 966 O ASN A 65 14.583 13.486 0.560 1.00 44.22 O ATOM 967 CB ASN A 65 11.819 14.684 -0.695 1.00 34.54 C ATOM 968 CG ASN A 65 11.619 16.049 -1.278 1.00 74.53 C ATOM 969 OD1 ASN A 65 12.111 17.052 -0.753 1.00 71.12 O ATOM 970 ND2 ASN A 65 10.901 16.100 -2.360 1.00 10.54 N ATOM 0 H ASN A 65 13.535 12.048 -0.728 1.00 12.02 H new ATOM 0 HA ASN A 65 13.341 14.458 -2.194 1.00 52.12 H new ATOM 0 HB2 ASN A 65 10.969 14.050 -0.947 1.00 34.54 H new ATOM 0 HB3 ASN A 65 11.855 14.752 0.392 1.00 34.54 H new ATOM 0 HD21 ASN A 65 10.723 16.997 -2.812 1.00 10.54 H new ATOM 0 HD22 ASN A 65 10.515 15.243 -2.757 1.00 10.54 H new ATOM 977 N SER A 66 14.756 15.529 -0.299 1.00 41.52 N ATOM 978 CA SER A 66 15.816 15.897 0.587 1.00 51.41 C ATOM 979 C SER A 66 15.335 16.910 1.645 1.00 11.31 C ATOM 980 O SER A 66 15.449 16.672 2.837 1.00 54.14 O ATOM 981 CB SER A 66 16.960 16.474 -0.238 1.00 4.33 C ATOM 982 OG SER A 66 17.290 15.595 -1.312 1.00 62.55 O ATOM 0 H SER A 66 14.475 16.257 -0.956 1.00 41.52 H new ATOM 0 HA SER A 66 16.159 15.014 1.126 1.00 51.41 H new ATOM 0 HB2 SER A 66 16.677 17.450 -0.632 1.00 4.33 H new ATOM 0 HB3 SER A 66 17.833 16.628 0.396 1.00 4.33 H new ATOM 0 HG SER A 66 18.025 15.979 -1.835 1.00 62.55 H new ATOM 988 N THR A 67 14.758 18.015 1.208 1.00 61.53 N ATOM 989 CA THR A 67 14.346 19.045 2.139 1.00 74.05 C ATOM 990 C THR A 67 12.903 18.836 2.626 1.00 12.23 C ATOM 991 O THR A 67 12.535 19.267 3.716 1.00 2.22 O ATOM 992 CB THR A 67 14.556 20.487 1.553 1.00 74.11 C ATOM 993 OG1 THR A 67 14.410 21.475 2.584 1.00 22.52 O ATOM 994 CG2 THR A 67 13.577 20.796 0.423 1.00 2.44 C ATOM 0 H THR A 67 14.567 18.219 0.227 1.00 61.53 H new ATOM 0 HA THR A 67 14.995 18.957 3.010 1.00 74.05 H new ATOM 0 HB THR A 67 15.567 20.519 1.148 1.00 74.11 H new ATOM 0 HG1 THR A 67 14.545 22.368 2.203 1.00 22.52 H new ATOM 0 HG21 THR A 67 13.759 21.803 0.049 1.00 2.44 H new ATOM 0 HG22 THR A 67 13.716 20.078 -0.385 1.00 2.44 H new ATOM 0 HG23 THR A 67 12.556 20.728 0.798 1.00 2.44 H new ATOM 1002 N ASN A 68 12.106 18.144 1.836 1.00 32.24 N ATOM 1003 CA ASN A 68 10.696 17.928 2.162 1.00 40.21 C ATOM 1004 C ASN A 68 10.496 16.508 2.625 1.00 54.12 C ATOM 1005 O ASN A 68 9.394 15.970 2.520 1.00 33.41 O ATOM 1006 CB ASN A 68 9.792 18.200 0.940 1.00 34.23 C ATOM 1007 CG ASN A 68 9.881 19.612 0.395 1.00 24.25 C ATOM 1008 OD1 ASN A 68 10.120 20.574 1.135 1.00 71.14 O ATOM 1009 ND2 ASN A 68 9.696 19.755 -0.898 1.00 71.23 N ATOM 0 H ASN A 68 12.405 17.717 0.959 1.00 32.24 H new ATOM 0 HA ASN A 68 10.420 18.622 2.956 1.00 40.21 H new ATOM 0 HB2 ASN A 68 10.055 17.500 0.147 1.00 34.23 H new ATOM 0 HB3 ASN A 68 8.758 17.995 1.216 1.00 34.23 H new ATOM 0 HD21 ASN A 68 9.748 20.682 -1.321 1.00 71.23 H new ATOM 0 HD22 ASN A 68 9.501 18.939 -1.479 1.00 71.23 H new ATOM 1016 N GLY A 69 11.564 15.932 3.180 1.00 22.20 N ATOM 1017 CA GLY A 69 11.575 14.543 3.634 1.00 34.30 C ATOM 1018 C GLY A 69 10.382 14.193 4.498 1.00 74.42 C ATOM 1019 O GLY A 69 10.074 14.890 5.486 1.00 42.41 O ATOM 0 H GLY A 69 12.448 16.419 3.327 1.00 22.20 H new ATOM 0 HA2 GLY A 69 11.594 13.883 2.767 1.00 34.30 H new ATOM 0 HA3 GLY A 69 12.490 14.358 4.196 1.00 34.30 H new ATOM 1023 N THR A 70 9.708 13.160 4.114 1.00 54.33 N ATOM 1024 CA THR A 70 8.513 12.715 4.764 1.00 55.14 C ATOM 1025 C THR A 70 8.818 12.070 6.130 1.00 0.11 C ATOM 1026 O THR A 70 9.887 11.473 6.339 1.00 74.40 O ATOM 1027 CB THR A 70 7.799 11.721 3.844 1.00 73.12 C ATOM 1028 OG1 THR A 70 7.711 12.307 2.536 1.00 3.41 O ATOM 1029 CG2 THR A 70 6.400 11.411 4.345 1.00 2.34 C ATOM 0 H THR A 70 9.978 12.584 3.317 1.00 54.33 H new ATOM 0 HA THR A 70 7.870 13.574 4.955 1.00 55.14 H new ATOM 0 HB THR A 70 8.363 10.789 3.822 1.00 73.12 H new ATOM 0 HG1 THR A 70 8.526 12.103 2.031 1.00 3.41 H new ATOM 0 HG21 THR A 70 5.920 10.703 3.670 1.00 2.34 H new ATOM 0 HG22 THR A 70 6.459 10.978 5.343 1.00 2.34 H new ATOM 0 HG23 THR A 70 5.815 12.330 4.382 1.00 2.34 H new ATOM 1037 N THR A 71 7.906 12.229 7.048 1.00 65.52 N ATOM 1038 CA THR A 71 8.037 11.678 8.354 1.00 61.14 C ATOM 1039 C THR A 71 6.997 10.608 8.577 1.00 61.41 C ATOM 1040 O THR A 71 5.891 10.684 8.042 1.00 12.45 O ATOM 1041 CB THR A 71 7.877 12.761 9.434 1.00 22.21 C ATOM 1042 OG1 THR A 71 6.659 13.492 9.237 1.00 70.22 O ATOM 1043 CG2 THR A 71 9.040 13.704 9.423 1.00 20.44 C ATOM 0 H THR A 71 7.043 12.752 6.902 1.00 65.52 H new ATOM 0 HA THR A 71 9.035 11.247 8.430 1.00 61.14 H new ATOM 0 HB THR A 71 7.841 12.263 10.403 1.00 22.21 H new ATOM 0 HG1 THR A 71 6.389 13.431 8.297 1.00 70.22 H new ATOM 0 HG21 THR A 71 8.903 14.460 10.196 1.00 20.44 H new ATOM 0 HG22 THR A 71 9.959 13.151 9.616 1.00 20.44 H new ATOM 0 HG23 THR A 71 9.106 14.189 8.449 1.00 20.44 H new ATOM 1051 N VAL A 72 7.349 9.628 9.331 1.00 44.34 N ATOM 1052 CA VAL A 72 6.449 8.592 9.701 1.00 50.40 C ATOM 1053 C VAL A 72 6.229 8.677 11.195 1.00 31.34 C ATOM 1054 O VAL A 72 7.172 8.621 11.981 1.00 41.23 O ATOM 1055 CB VAL A 72 6.964 7.199 9.277 1.00 44.31 C ATOM 1056 CG1 VAL A 72 7.020 7.116 7.760 1.00 2.30 C ATOM 1057 CG2 VAL A 72 8.340 6.926 9.860 1.00 44.44 C ATOM 0 H VAL A 72 8.288 9.521 9.716 1.00 44.34 H new ATOM 0 HA VAL A 72 5.502 8.727 9.179 1.00 50.40 H new ATOM 0 HB VAL A 72 6.276 6.445 9.660 1.00 44.31 H new ATOM 0 HG11 VAL A 72 7.384 6.132 7.463 1.00 2.30 H new ATOM 0 HG12 VAL A 72 6.022 7.273 7.350 1.00 2.30 H new ATOM 0 HG13 VAL A 72 7.694 7.883 7.378 1.00 2.30 H new ATOM 0 HG21 VAL A 72 8.679 5.939 9.546 1.00 44.44 H new ATOM 0 HG22 VAL A 72 9.042 7.681 9.505 1.00 44.44 H new ATOM 0 HG23 VAL A 72 8.288 6.962 10.948 1.00 44.44 H new ATOM 1067 N ASN A 73 5.005 8.956 11.568 1.00 62.12 N ATOM 1068 CA ASN A 73 4.598 9.157 12.964 1.00 63.21 C ATOM 1069 C ASN A 73 5.336 10.364 13.548 1.00 55.34 C ATOM 1070 O ASN A 73 5.463 10.516 14.761 1.00 14.35 O ATOM 1071 CB ASN A 73 4.801 7.871 13.801 1.00 3.41 C ATOM 1072 CG ASN A 73 3.884 6.744 13.337 1.00 51.34 C ATOM 1073 OD1 ASN A 73 2.765 6.989 12.872 1.00 63.30 O ATOM 1074 ND2 ASN A 73 4.336 5.520 13.443 1.00 51.41 N ATOM 0 H ASN A 73 4.236 9.055 10.906 1.00 62.12 H new ATOM 0 HA ASN A 73 3.530 9.372 12.998 1.00 63.21 H new ATOM 0 HB2 ASN A 73 5.840 7.549 13.727 1.00 3.41 H new ATOM 0 HB3 ASN A 73 4.609 8.087 14.852 1.00 3.41 H new ATOM 0 HD21 ASN A 73 3.760 4.735 13.137 1.00 51.41 H new ATOM 0 HD22 ASN A 73 5.264 5.351 13.831 1.00 51.41 H new ATOM 1081 N ASN A 74 5.745 11.256 12.612 1.00 40.11 N ATOM 1082 CA ASN A 74 6.489 12.505 12.851 1.00 52.25 C ATOM 1083 C ASN A 74 8.000 12.299 12.968 1.00 43.22 C ATOM 1084 O ASN A 74 8.746 13.245 13.236 1.00 55.44 O ATOM 1085 CB ASN A 74 5.933 13.371 14.003 1.00 42.43 C ATOM 1086 CG ASN A 74 4.558 13.949 13.710 1.00 64.51 C ATOM 1087 OD1 ASN A 74 3.529 13.335 14.015 1.00 53.44 O ATOM 1088 ND2 ASN A 74 4.516 15.128 13.148 1.00 41.40 N ATOM 0 H ASN A 74 5.552 11.111 11.621 1.00 40.11 H new ATOM 0 HA ASN A 74 6.320 13.085 11.944 1.00 52.25 H new ATOM 0 HB2 ASN A 74 5.880 12.768 14.909 1.00 42.43 H new ATOM 0 HB3 ASN A 74 6.628 14.187 14.203 1.00 42.43 H new ATOM 0 HD21 ASN A 74 3.617 15.567 12.949 1.00 41.40 H new ATOM 0 HD22 ASN A 74 5.382 15.610 12.908 1.00 41.40 H new ATOM 1095 N ALA A 75 8.453 11.078 12.725 1.00 75.10 N ATOM 1096 CA ALA A 75 9.875 10.764 12.739 1.00 41.21 C ATOM 1097 C ALA A 75 10.409 10.729 11.302 1.00 51.44 C ATOM 1098 O ALA A 75 9.822 10.070 10.440 1.00 2.23 O ATOM 1099 CB ALA A 75 10.110 9.424 13.425 1.00 71.44 C ATOM 0 H ALA A 75 7.851 10.282 12.514 1.00 75.10 H new ATOM 0 HA ALA A 75 10.407 11.535 13.296 1.00 41.21 H new ATOM 0 HB1 ALA A 75 11.177 9.200 13.430 1.00 71.44 H new ATOM 0 HB2 ALA A 75 9.745 9.471 14.451 1.00 71.44 H new ATOM 0 HB3 ALA A 75 9.577 8.641 12.886 1.00 71.44 H new ATOM 1105 N PRO A 76 11.481 11.472 11.003 1.00 34.24 N ATOM 1106 CA PRO A 76 12.065 11.508 9.658 1.00 62.44 C ATOM 1107 C PRO A 76 12.861 10.239 9.330 1.00 0.24 C ATOM 1108 O PRO A 76 13.789 9.868 10.053 1.00 32.23 O ATOM 1109 CB PRO A 76 12.993 12.729 9.712 1.00 5.45 C ATOM 1110 CG PRO A 76 13.375 12.856 11.147 1.00 74.24 C ATOM 1111 CD PRO A 76 12.204 12.353 11.946 1.00 21.10 C ATOM 0 HA PRO A 76 11.302 11.567 8.882 1.00 62.44 H new ATOM 0 HB2 PRO A 76 13.870 12.587 9.081 1.00 5.45 H new ATOM 0 HB3 PRO A 76 12.486 13.626 9.357 1.00 5.45 H new ATOM 0 HG2 PRO A 76 14.271 12.274 11.363 1.00 74.24 H new ATOM 0 HG3 PRO A 76 13.600 13.892 11.398 1.00 74.24 H new ATOM 0 HD2 PRO A 76 12.530 11.808 12.832 1.00 21.10 H new ATOM 0 HD3 PRO A 76 11.573 13.173 12.290 1.00 21.10 H new ATOM 1119 N VAL A 77 12.515 9.596 8.228 1.00 22.11 N ATOM 1120 CA VAL A 77 13.155 8.354 7.797 1.00 24.11 C ATOM 1121 C VAL A 77 13.288 8.359 6.278 1.00 41.35 C ATOM 1122 O VAL A 77 12.615 9.140 5.600 1.00 2.21 O ATOM 1123 CB VAL A 77 12.323 7.091 8.201 1.00 52.24 C ATOM 1124 CG1 VAL A 77 12.180 6.953 9.713 1.00 63.52 C ATOM 1125 CG2 VAL A 77 10.951 7.121 7.539 1.00 23.31 C ATOM 0 H VAL A 77 11.779 9.918 7.600 1.00 22.11 H new ATOM 0 HA VAL A 77 14.128 8.303 8.286 1.00 24.11 H new ATOM 0 HB VAL A 77 12.872 6.218 7.847 1.00 52.24 H new ATOM 0 HG11 VAL A 77 11.595 6.062 9.943 1.00 63.52 H new ATOM 0 HG12 VAL A 77 13.168 6.866 10.165 1.00 63.52 H new ATOM 0 HG13 VAL A 77 11.675 7.832 10.112 1.00 63.52 H new ATOM 0 HG21 VAL A 77 10.387 6.235 7.831 1.00 23.31 H new ATOM 0 HG22 VAL A 77 10.414 8.015 7.856 1.00 23.31 H new ATOM 0 HG23 VAL A 77 11.070 7.134 6.456 1.00 23.31 H new ATOM 1135 N GLN A 78 14.150 7.520 5.750 1.00 43.31 N ATOM 1136 CA GLN A 78 14.292 7.390 4.310 1.00 74.20 C ATOM 1137 C GLN A 78 13.328 6.326 3.776 1.00 65.41 C ATOM 1138 O GLN A 78 12.860 6.401 2.635 1.00 41.42 O ATOM 1139 CB GLN A 78 15.762 7.099 3.890 1.00 52.51 C ATOM 1140 CG GLN A 78 16.363 5.730 4.282 1.00 32.42 C ATOM 1141 CD GLN A 78 16.432 5.451 5.778 1.00 74.34 C ATOM 1142 OE1 GLN A 78 16.538 6.354 6.594 1.00 52.12 O ATOM 1143 NE2 GLN A 78 16.416 4.206 6.136 1.00 33.44 N ATOM 0 H GLN A 78 14.766 6.915 6.293 1.00 43.31 H new ATOM 0 HA GLN A 78 14.029 8.347 3.860 1.00 74.20 H new ATOM 0 HB2 GLN A 78 15.827 7.196 2.806 1.00 52.51 H new ATOM 0 HB3 GLN A 78 16.394 7.878 4.318 1.00 52.51 H new ATOM 0 HG2 GLN A 78 15.773 4.945 3.810 1.00 32.42 H new ATOM 0 HG3 GLN A 78 17.370 5.663 3.870 1.00 32.42 H new ATOM 0 HE21 GLN A 78 16.326 3.474 5.431 1.00 33.44 H new ATOM 0 HE22 GLN A 78 16.493 3.958 7.122 1.00 33.44 H new ATOM 1152 N GLU A 79 13.007 5.363 4.624 1.00 23.54 N ATOM 1153 CA GLU A 79 12.088 4.305 4.285 1.00 3.35 C ATOM 1154 C GLU A 79 11.465 3.780 5.568 1.00 12.12 C ATOM 1155 O GLU A 79 12.037 3.968 6.652 1.00 23.52 O ATOM 1156 CB GLU A 79 12.791 3.174 3.517 1.00 20.11 C ATOM 1157 CG GLU A 79 13.833 2.423 4.319 1.00 10.33 C ATOM 1158 CD GLU A 79 14.499 1.353 3.517 1.00 62.52 C ATOM 1159 OE1 GLU A 79 13.814 0.422 3.058 1.00 42.13 O ATOM 1160 OE2 GLU A 79 15.727 1.394 3.376 1.00 13.20 O ATOM 0 H GLU A 79 13.382 5.299 5.570 1.00 23.54 H new ATOM 0 HA GLU A 79 11.312 4.699 3.628 1.00 3.35 H new ATOM 0 HB2 GLU A 79 12.039 2.466 3.169 1.00 20.11 H new ATOM 0 HB3 GLU A 79 13.267 3.595 2.631 1.00 20.11 H new ATOM 0 HG2 GLU A 79 14.585 3.124 4.682 1.00 10.33 H new ATOM 0 HG3 GLU A 79 13.363 1.978 5.196 1.00 10.33 H new ATOM 1167 N TRP A 80 10.331 3.143 5.451 1.00 65.32 N ATOM 1168 CA TRP A 80 9.584 2.642 6.587 1.00 24.34 C ATOM 1169 C TRP A 80 8.670 1.524 6.114 1.00 54.55 C ATOM 1170 O TRP A 80 8.305 1.477 4.953 1.00 21.03 O ATOM 1171 CB TRP A 80 8.771 3.815 7.188 1.00 60.04 C ATOM 1172 CG TRP A 80 7.863 3.508 8.348 1.00 42.35 C ATOM 1173 CD1 TRP A 80 6.518 3.302 8.296 1.00 33.11 C ATOM 1174 CD2 TRP A 80 8.224 3.432 9.727 1.00 73.02 C ATOM 1175 NE1 TRP A 80 6.020 3.092 9.550 1.00 41.41 N ATOM 1176 CE2 TRP A 80 7.045 3.169 10.451 1.00 55.53 C ATOM 1177 CE3 TRP A 80 9.430 3.558 10.423 1.00 42.42 C ATOM 1178 CZ2 TRP A 80 7.035 3.031 11.832 1.00 34.13 C ATOM 1179 CZ3 TRP A 80 9.417 3.423 11.794 1.00 43.41 C ATOM 1180 CH2 TRP A 80 8.225 3.163 12.484 1.00 14.21 C ATOM 0 H TRP A 80 9.888 2.952 4.552 1.00 65.32 H new ATOM 0 HA TRP A 80 10.247 2.243 7.355 1.00 24.34 H new ATOM 0 HB2 TRP A 80 9.475 4.584 7.506 1.00 60.04 H new ATOM 0 HB3 TRP A 80 8.165 4.247 6.392 1.00 60.04 H new ATOM 0 HD1 TRP A 80 5.929 3.304 7.391 1.00 33.11 H new ATOM 0 HE1 TRP A 80 5.043 2.908 9.777 1.00 41.41 H new ATOM 0 HE3 TRP A 80 10.352 3.757 9.897 1.00 42.42 H new ATOM 0 HZ2 TRP A 80 6.120 2.827 12.369 1.00 34.13 H new ATOM 0 HZ3 TRP A 80 10.340 3.519 12.346 1.00 43.41 H new ATOM 0 HH2 TRP A 80 8.250 3.065 13.559 1.00 14.21 H new ATOM 1191 N GLN A 81 8.355 0.614 6.973 1.00 64.02 N ATOM 1192 CA GLN A 81 7.408 -0.424 6.641 1.00 21.32 C ATOM 1193 C GLN A 81 6.080 -0.029 7.243 1.00 61.13 C ATOM 1194 O GLN A 81 5.933 -0.032 8.463 1.00 63.42 O ATOM 1195 CB GLN A 81 7.868 -1.786 7.167 1.00 0.41 C ATOM 1196 CG GLN A 81 9.227 -2.212 6.635 1.00 61.21 C ATOM 1197 CD GLN A 81 9.681 -3.560 7.153 1.00 65.23 C ATOM 1198 OE1 GLN A 81 8.876 -4.456 7.419 1.00 4.02 O ATOM 1199 NE2 GLN A 81 10.967 -3.708 7.323 1.00 43.10 N ATOM 0 H GLN A 81 8.736 0.559 7.918 1.00 64.02 H new ATOM 0 HA GLN A 81 7.322 -0.525 5.559 1.00 21.32 H new ATOM 0 HB2 GLN A 81 7.907 -1.752 8.256 1.00 0.41 H new ATOM 0 HB3 GLN A 81 7.128 -2.540 6.898 1.00 0.41 H new ATOM 0 HG2 GLN A 81 9.189 -2.244 5.546 1.00 61.21 H new ATOM 0 HG3 GLN A 81 9.967 -1.459 6.906 1.00 61.21 H new ATOM 0 HE21 GLN A 81 11.603 -2.945 7.092 1.00 43.10 H new ATOM 0 HE22 GLN A 81 11.336 -4.587 7.687 1.00 43.10 H new ATOM 1208 N LEU A 82 5.157 0.369 6.392 1.00 12.53 N ATOM 1209 CA LEU A 82 3.842 0.872 6.802 1.00 31.34 C ATOM 1210 C LEU A 82 3.071 -0.112 7.655 1.00 13.10 C ATOM 1211 O LEU A 82 3.148 -1.337 7.458 1.00 32.00 O ATOM 1212 CB LEU A 82 2.989 1.189 5.580 1.00 2.14 C ATOM 1213 CG LEU A 82 3.496 2.288 4.664 1.00 61.12 C ATOM 1214 CD1 LEU A 82 2.556 2.497 3.491 1.00 52.34 C ATOM 1215 CD2 LEU A 82 3.660 3.568 5.440 1.00 1.31 C ATOM 0 H LEU A 82 5.291 0.356 5.381 1.00 12.53 H new ATOM 0 HA LEU A 82 4.039 1.767 7.392 1.00 31.34 H new ATOM 0 HB2 LEU A 82 2.884 0.277 4.992 1.00 2.14 H new ATOM 0 HB3 LEU A 82 1.992 1.464 5.923 1.00 2.14 H new ATOM 0 HG LEU A 82 4.465 1.985 4.267 1.00 61.12 H new ATOM 0 HD11 LEU A 82 2.943 3.290 2.851 1.00 52.34 H new ATOM 0 HD12 LEU A 82 2.479 1.573 2.918 1.00 52.34 H new ATOM 0 HD13 LEU A 82 1.570 2.778 3.861 1.00 52.34 H new ATOM 0 HD21 LEU A 82 4.024 4.352 4.776 1.00 1.31 H new ATOM 0 HD22 LEU A 82 2.699 3.865 5.859 1.00 1.31 H new ATOM 0 HD23 LEU A 82 4.376 3.415 6.247 1.00 1.31 H new ATOM 1227 N ALA A 83 2.359 0.419 8.602 1.00 72.51 N ATOM 1228 CA ALA A 83 1.474 -0.339 9.417 1.00 55.22 C ATOM 1229 C ALA A 83 0.158 0.387 9.497 1.00 74.35 C ATOM 1230 O ALA A 83 0.074 1.586 9.165 1.00 51.15 O ATOM 1231 CB ALA A 83 2.043 -0.537 10.802 1.00 64.31 C ATOM 0 H ALA A 83 2.381 1.413 8.830 1.00 72.51 H new ATOM 0 HA ALA A 83 1.335 -1.325 8.974 1.00 55.22 H new ATOM 0 HB1 ALA A 83 1.345 -1.120 11.402 1.00 64.31 H new ATOM 0 HB2 ALA A 83 2.993 -1.068 10.733 1.00 64.31 H new ATOM 0 HB3 ALA A 83 2.203 0.433 11.272 1.00 64.31 H new ATOM 1237 N ASP A 84 -0.863 -0.315 9.919 1.00 51.14 N ATOM 1238 CA ASP A 84 -2.182 0.261 10.048 1.00 54.23 C ATOM 1239 C ASP A 84 -2.193 1.240 11.199 1.00 30.33 C ATOM 1240 O ASP A 84 -2.014 0.852 12.356 1.00 23.12 O ATOM 1241 CB ASP A 84 -3.230 -0.831 10.272 1.00 34.11 C ATOM 1242 CG ASP A 84 -4.632 -0.283 10.402 1.00 21.24 C ATOM 1243 OD1 ASP A 84 -5.184 0.192 9.407 1.00 43.42 O ATOM 1244 OD2 ASP A 84 -5.216 -0.347 11.498 1.00 25.31 O ATOM 0 H ASP A 84 -0.806 -1.299 10.183 1.00 51.14 H new ATOM 0 HA ASP A 84 -2.431 0.785 9.125 1.00 54.23 H new ATOM 0 HB2 ASP A 84 -3.196 -1.536 9.441 1.00 34.11 H new ATOM 0 HB3 ASP A 84 -2.979 -1.389 11.174 1.00 34.11 H new ATOM 1249 N GLY A 85 -2.342 2.497 10.881 1.00 13.03 N ATOM 1250 CA GLY A 85 -2.376 3.514 11.889 1.00 64.40 C ATOM 1251 C GLY A 85 -1.163 4.424 11.859 1.00 52.14 C ATOM 1252 O GLY A 85 -1.029 5.295 12.719 1.00 11.10 O ATOM 0 H GLY A 85 -2.442 2.840 9.926 1.00 13.03 H new ATOM 0 HA2 GLY A 85 -3.276 4.115 11.760 1.00 64.40 H new ATOM 0 HA3 GLY A 85 -2.445 3.043 12.870 1.00 64.40 H new ATOM 1256 N ASP A 86 -0.271 4.240 10.886 1.00 43.41 N ATOM 1257 CA ASP A 86 0.916 5.103 10.811 1.00 45.04 C ATOM 1258 C ASP A 86 0.586 6.412 10.160 1.00 43.25 C ATOM 1259 O ASP A 86 -0.181 6.457 9.185 1.00 0.04 O ATOM 1260 CB ASP A 86 2.115 4.454 10.099 1.00 53.01 C ATOM 1261 CG ASP A 86 2.842 3.416 10.922 1.00 0.32 C ATOM 1262 OD1 ASP A 86 2.857 3.518 12.180 1.00 51.44 O ATOM 1263 OD2 ASP A 86 3.437 2.490 10.330 1.00 1.44 O ATOM 0 H ASP A 86 -0.338 3.527 10.159 1.00 43.41 H new ATOM 0 HA ASP A 86 1.219 5.269 11.845 1.00 45.04 H new ATOM 0 HB2 ASP A 86 1.767 3.990 9.176 1.00 53.01 H new ATOM 0 HB3 ASP A 86 2.821 5.235 9.816 1.00 53.01 H new ATOM 1268 N VAL A 87 1.135 7.474 10.696 1.00 12.53 N ATOM 1269 CA VAL A 87 0.900 8.797 10.170 1.00 70.15 C ATOM 1270 C VAL A 87 2.062 9.188 9.294 1.00 43.54 C ATOM 1271 O VAL A 87 3.167 9.363 9.765 1.00 73.22 O ATOM 1272 CB VAL A 87 0.750 9.861 11.303 1.00 50.01 C ATOM 1273 CG1 VAL A 87 0.415 11.239 10.724 1.00 35.23 C ATOM 1274 CG2 VAL A 87 -0.304 9.433 12.312 1.00 13.35 C ATOM 0 H VAL A 87 1.755 7.447 11.506 1.00 12.53 H new ATOM 0 HA VAL A 87 -0.031 8.770 9.604 1.00 70.15 H new ATOM 0 HB VAL A 87 1.707 9.935 11.819 1.00 50.01 H new ATOM 0 HG11 VAL A 87 0.316 11.960 11.535 1.00 35.23 H new ATOM 0 HG12 VAL A 87 1.213 11.555 10.052 1.00 35.23 H new ATOM 0 HG13 VAL A 87 -0.523 11.183 10.172 1.00 35.23 H new ATOM 0 HG21 VAL A 87 -0.390 10.190 13.091 1.00 13.35 H new ATOM 0 HG22 VAL A 87 -1.264 9.319 11.809 1.00 13.35 H new ATOM 0 HG23 VAL A 87 -0.014 8.483 12.760 1.00 13.35 H new ATOM 1284 N ILE A 88 1.820 9.313 8.051 1.00 12.04 N ATOM 1285 CA ILE A 88 2.826 9.722 7.126 1.00 74.43 C ATOM 1286 C ILE A 88 2.643 11.221 6.898 1.00 53.15 C ATOM 1287 O ILE A 88 1.626 11.662 6.361 1.00 71.12 O ATOM 1288 CB ILE A 88 2.758 8.879 5.786 1.00 34.55 C ATOM 1289 CG1 ILE A 88 3.469 7.501 5.929 1.00 31.12 C ATOM 1290 CG2 ILE A 88 3.339 9.632 4.599 1.00 41.45 C ATOM 1291 CD1 ILE A 88 2.956 6.582 7.028 1.00 42.12 C ATOM 0 H ILE A 88 0.909 9.135 7.629 1.00 12.04 H new ATOM 0 HA ILE A 88 3.823 9.535 7.524 1.00 74.43 H new ATOM 0 HB ILE A 88 1.698 8.708 5.597 1.00 34.55 H new ATOM 0 HG12 ILE A 88 3.387 6.974 4.978 1.00 31.12 H new ATOM 0 HG13 ILE A 88 4.530 7.681 6.103 1.00 31.12 H new ATOM 0 HG21 ILE A 88 3.269 9.012 3.705 1.00 41.45 H new ATOM 0 HG22 ILE A 88 2.780 10.555 4.445 1.00 41.45 H new ATOM 0 HG23 ILE A 88 4.385 9.869 4.795 1.00 41.45 H new ATOM 0 HD11 ILE A 88 3.531 5.656 7.026 1.00 42.12 H new ATOM 0 HD12 ILE A 88 3.065 7.074 7.994 1.00 42.12 H new ATOM 0 HD13 ILE A 88 1.904 6.357 6.852 1.00 42.12 H new ATOM 1303 N ARG A 89 3.571 11.999 7.379 1.00 1.14 N ATOM 1304 CA ARG A 89 3.457 13.426 7.289 1.00 14.41 C ATOM 1305 C ARG A 89 4.508 14.017 6.391 1.00 25.45 C ATOM 1306 O ARG A 89 5.722 13.851 6.609 1.00 53.53 O ATOM 1307 CB ARG A 89 3.457 14.089 8.677 1.00 73.34 C ATOM 1308 CG ARG A 89 3.490 15.615 8.629 1.00 21.32 C ATOM 1309 CD ARG A 89 3.278 16.226 9.996 1.00 43.33 C ATOM 1310 NE ARG A 89 3.501 17.675 9.980 1.00 12.12 N ATOM 1311 CZ ARG A 89 2.653 18.609 10.428 1.00 4.10 C ATOM 1312 NH1 ARG A 89 1.415 18.294 10.790 1.00 61.42 N ATOM 1313 NH2 ARG A 89 3.040 19.872 10.462 1.00 22.42 N ATOM 0 H ARG A 89 4.418 11.667 7.839 1.00 1.14 H new ATOM 0 HA ARG A 89 2.490 13.638 6.832 1.00 14.41 H new ATOM 0 HB2 ARG A 89 2.568 13.771 9.222 1.00 73.34 H new ATOM 0 HB3 ARG A 89 4.320 13.733 9.240 1.00 73.34 H new ATOM 0 HG2 ARG A 89 4.448 15.945 8.228 1.00 21.32 H new ATOM 0 HG3 ARG A 89 2.719 15.974 7.947 1.00 21.32 H new ATOM 0 HD2 ARG A 89 2.263 16.017 10.335 1.00 43.33 H new ATOM 0 HD3 ARG A 89 3.955 15.761 10.712 1.00 43.33 H new ATOM 0 HE ARG A 89 4.385 18.002 9.591 1.00 12.12 H new ATOM 0 HH11 ARG A 89 1.096 17.327 10.729 1.00 61.42 H new ATOM 0 HH12 ARG A 89 0.783 19.019 11.129 1.00 61.42 H new ATOM 0 HH21 ARG A 89 3.977 20.127 10.149 1.00 22.42 H new ATOM 0 HH22 ARG A 89 2.402 20.592 10.801 1.00 22.42 H new ATOM 1327 N LEU A 90 4.036 14.684 5.396 1.00 34.24 N ATOM 1328 CA LEU A 90 4.836 15.366 4.443 1.00 73.03 C ATOM 1329 C LEU A 90 4.385 16.803 4.410 1.00 44.12 C ATOM 1330 O LEU A 90 3.321 17.125 4.959 1.00 13.43 O ATOM 1331 CB LEU A 90 4.761 14.724 3.033 1.00 14.21 C ATOM 1332 CG LEU A 90 3.371 14.506 2.394 1.00 34.50 C ATOM 1333 CD1 LEU A 90 3.521 14.349 0.897 1.00 34.51 C ATOM 1334 CD2 LEU A 90 2.713 13.243 2.942 1.00 72.11 C ATOM 0 H LEU A 90 3.036 14.772 5.218 1.00 34.24 H new ATOM 0 HA LEU A 90 5.882 15.298 4.741 1.00 73.03 H new ATOM 0 HB2 LEU A 90 5.344 15.347 2.354 1.00 14.21 H new ATOM 0 HB3 LEU A 90 5.258 13.755 3.083 1.00 14.21 H new ATOM 0 HG LEU A 90 2.751 15.370 2.631 1.00 34.50 H new ATOM 0 HD11 LEU A 90 2.540 14.195 0.447 1.00 34.51 H new ATOM 0 HD12 LEU A 90 3.974 15.248 0.480 1.00 34.51 H new ATOM 0 HD13 LEU A 90 4.157 13.490 0.683 1.00 34.51 H new ATOM 0 HD21 LEU A 90 1.736 13.111 2.477 1.00 72.11 H new ATOM 0 HD22 LEU A 90 3.340 12.380 2.719 1.00 72.11 H new ATOM 0 HD23 LEU A 90 2.592 13.335 4.021 1.00 72.11 H new ATOM 1346 N GLY A 91 5.205 17.665 3.854 1.00 73.30 N ATOM 1347 CA GLY A 91 4.872 19.070 3.757 1.00 13.33 C ATOM 1348 C GLY A 91 3.499 19.319 3.144 1.00 74.50 C ATOM 1349 O GLY A 91 3.235 18.895 2.020 1.00 24.31 O ATOM 0 H GLY A 91 6.112 17.417 3.460 1.00 73.30 H new ATOM 0 HA2 GLY A 91 4.905 19.514 4.752 1.00 13.33 H new ATOM 0 HA3 GLY A 91 5.628 19.576 3.157 1.00 13.33 H new ATOM 1353 N HIS A 92 2.635 19.974 3.931 1.00 25.44 N ATOM 1354 CA HIS A 92 1.252 20.372 3.568 1.00 73.14 C ATOM 1355 C HIS A 92 0.198 19.312 3.809 1.00 0.43 C ATOM 1356 O HIS A 92 -0.992 19.632 3.832 1.00 75.33 O ATOM 1357 CB HIS A 92 1.106 20.938 2.144 1.00 2.12 C ATOM 1358 CG HIS A 92 1.707 22.281 1.929 1.00 11.12 C ATOM 1359 ND1 HIS A 92 1.280 23.140 0.962 1.00 5.02 N ATOM 1360 CD2 HIS A 92 2.751 22.889 2.536 1.00 73.11 C ATOM 1361 CE1 HIS A 92 2.045 24.216 0.991 1.00 22.40 C ATOM 1362 NE2 HIS A 92 2.969 24.122 1.933 1.00 30.33 N ATOM 0 H HIS A 92 2.883 20.257 4.879 1.00 25.44 H new ATOM 0 HA HIS A 92 1.062 21.182 4.272 1.00 73.14 H new ATOM 0 HB2 HIS A 92 1.562 20.238 1.444 1.00 2.12 H new ATOM 0 HB3 HIS A 92 0.045 20.989 1.898 1.00 2.12 H new ATOM 0 HD1 HIS A 92 0.501 22.979 0.323 1.00 5.02 H new ATOM 0 HD2 HIS A 92 3.323 22.482 3.357 1.00 73.11 H new ATOM 0 HE1 HIS A 92 1.931 25.063 0.331 1.00 22.40 H new ATOM 1370 N SER A 93 0.574 18.072 3.976 1.00 43.41 N ATOM 1371 CA SER A 93 -0.423 17.036 4.154 1.00 73.13 C ATOM 1372 C SER A 93 0.082 15.875 5.002 1.00 32.04 C ATOM 1373 O SER A 93 1.149 15.326 4.758 1.00 52.21 O ATOM 1374 CB SER A 93 -0.910 16.512 2.785 1.00 73.30 C ATOM 1375 OG SER A 93 -1.483 17.556 1.999 1.00 52.44 O ATOM 0 H SER A 93 1.543 17.753 3.993 1.00 43.41 H new ATOM 0 HA SER A 93 -1.256 17.492 4.689 1.00 73.13 H new ATOM 0 HB2 SER A 93 -0.074 16.067 2.246 1.00 73.30 H new ATOM 0 HB3 SER A 93 -1.647 15.723 2.937 1.00 73.30 H new ATOM 0 HG SER A 93 -1.780 17.192 1.139 1.00 52.44 H new ATOM 1381 N GLU A 94 -0.667 15.536 6.009 1.00 74.35 N ATOM 1382 CA GLU A 94 -0.402 14.351 6.771 1.00 32.41 C ATOM 1383 C GLU A 94 -1.500 13.352 6.500 1.00 2.45 C ATOM 1384 O GLU A 94 -2.689 13.701 6.499 1.00 41.32 O ATOM 1385 CB GLU A 94 -0.196 14.629 8.268 1.00 51.42 C ATOM 1386 CG GLU A 94 -1.242 15.506 8.919 1.00 35.31 C ATOM 1387 CD GLU A 94 -0.982 15.703 10.389 1.00 51.31 C ATOM 1388 OE1 GLU A 94 0.163 15.956 10.776 1.00 63.13 O ATOM 1389 OE2 GLU A 94 -1.939 15.651 11.182 1.00 3.52 O ATOM 0 H GLU A 94 -1.476 16.071 6.325 1.00 74.35 H new ATOM 0 HA GLU A 94 0.550 13.929 6.449 1.00 32.41 H new ATOM 0 HB2 GLU A 94 -0.167 13.676 8.796 1.00 51.42 H new ATOM 0 HB3 GLU A 94 0.779 15.097 8.402 1.00 51.42 H new ATOM 0 HG2 GLU A 94 -1.262 16.476 8.422 1.00 35.31 H new ATOM 0 HG3 GLU A 94 -2.226 15.058 8.782 1.00 35.31 H new ATOM 1396 N ILE A 95 -1.114 12.158 6.222 1.00 53.31 N ATOM 1397 CA ILE A 95 -2.015 11.112 5.819 1.00 41.42 C ATOM 1398 C ILE A 95 -1.851 9.894 6.730 1.00 42.45 C ATOM 1399 O ILE A 95 -0.751 9.603 7.193 1.00 55.03 O ATOM 1400 CB ILE A 95 -1.800 10.804 4.266 1.00 42.51 C ATOM 1401 CG1 ILE A 95 -2.462 9.500 3.756 1.00 72.14 C ATOM 1402 CG2 ILE A 95 -0.323 10.855 3.867 1.00 35.45 C ATOM 1403 CD1 ILE A 95 -1.677 8.224 4.043 1.00 55.33 C ATOM 0 H ILE A 95 -0.139 11.863 6.267 1.00 53.31 H new ATOM 0 HA ILE A 95 -3.053 11.425 5.934 1.00 41.42 H new ATOM 0 HB ILE A 95 -2.330 11.614 3.764 1.00 42.51 H new ATOM 0 HG12 ILE A 95 -3.450 9.411 4.208 1.00 72.14 H new ATOM 0 HG13 ILE A 95 -2.611 9.583 2.679 1.00 72.14 H new ATOM 0 HG21 ILE A 95 -0.226 10.639 2.803 1.00 35.45 H new ATOM 0 HG22 ILE A 95 0.076 11.848 4.074 1.00 35.45 H new ATOM 0 HG23 ILE A 95 0.234 10.114 4.440 1.00 35.45 H new ATOM 0 HD11 ILE A 95 -2.221 7.366 3.648 1.00 55.33 H new ATOM 0 HD12 ILE A 95 -0.698 8.284 3.567 1.00 55.33 H new ATOM 0 HD13 ILE A 95 -1.550 8.109 5.119 1.00 55.33 H new ATOM 1415 N ILE A 96 -2.940 9.207 7.004 1.00 45.22 N ATOM 1416 CA ILE A 96 -2.906 8.052 7.870 1.00 2.32 C ATOM 1417 C ILE A 96 -3.007 6.803 7.013 1.00 50.31 C ATOM 1418 O ILE A 96 -3.882 6.698 6.163 1.00 54.42 O ATOM 1419 CB ILE A 96 -4.065 8.081 8.909 1.00 72.21 C ATOM 1420 CG1 ILE A 96 -3.990 9.374 9.741 1.00 1.02 C ATOM 1421 CG2 ILE A 96 -4.007 6.849 9.822 1.00 50.43 C ATOM 1422 CD1 ILE A 96 -5.130 9.553 10.720 1.00 2.53 C ATOM 0 H ILE A 96 -3.864 9.432 6.636 1.00 45.22 H new ATOM 0 HA ILE A 96 -1.969 8.057 8.428 1.00 2.32 H new ATOM 0 HB ILE A 96 -5.015 8.060 8.374 1.00 72.21 H new ATOM 0 HG12 ILE A 96 -3.049 9.384 10.291 1.00 1.02 H new ATOM 0 HG13 ILE A 96 -3.971 10.227 9.063 1.00 1.02 H new ATOM 0 HG21 ILE A 96 -4.826 6.890 10.540 1.00 50.43 H new ATOM 0 HG22 ILE A 96 -4.097 5.945 9.220 1.00 50.43 H new ATOM 0 HG23 ILE A 96 -3.057 6.836 10.356 1.00 50.43 H new ATOM 0 HD11 ILE A 96 -4.999 10.488 11.264 1.00 2.53 H new ATOM 0 HD12 ILE A 96 -6.075 9.578 10.177 1.00 2.53 H new ATOM 0 HD13 ILE A 96 -5.138 8.721 11.425 1.00 2.53 H new ATOM 1434 N VAL A 97 -2.103 5.899 7.198 1.00 2.45 N ATOM 1435 CA VAL A 97 -2.094 4.675 6.444 1.00 54.32 C ATOM 1436 C VAL A 97 -2.953 3.632 7.120 1.00 61.04 C ATOM 1437 O VAL A 97 -2.817 3.392 8.322 1.00 5.11 O ATOM 1438 CB VAL A 97 -0.652 4.148 6.270 1.00 5.50 C ATOM 1439 CG1 VAL A 97 -0.648 2.764 5.647 1.00 12.14 C ATOM 1440 CG2 VAL A 97 0.133 5.103 5.400 1.00 22.45 C ATOM 0 H VAL A 97 -1.345 5.982 7.876 1.00 2.45 H new ATOM 0 HA VAL A 97 -2.506 4.882 5.456 1.00 54.32 H new ATOM 0 HB VAL A 97 -0.188 4.079 7.254 1.00 5.50 H new ATOM 0 HG11 VAL A 97 0.380 2.418 5.536 1.00 12.14 H new ATOM 0 HG12 VAL A 97 -1.196 2.074 6.289 1.00 12.14 H new ATOM 0 HG13 VAL A 97 -1.125 2.804 4.668 1.00 12.14 H new ATOM 0 HG21 VAL A 97 1.150 4.731 5.277 1.00 22.45 H new ATOM 0 HG22 VAL A 97 -0.345 5.182 4.423 1.00 22.45 H new ATOM 0 HG23 VAL A 97 0.160 6.086 5.871 1.00 22.45 H new ATOM 1450 N ARG A 98 -3.855 3.049 6.378 1.00 52.40 N ATOM 1451 CA ARG A 98 -4.675 2.000 6.888 1.00 71.44 C ATOM 1452 C ARG A 98 -4.393 0.734 6.135 1.00 11.24 C ATOM 1453 O ARG A 98 -4.034 0.762 4.954 1.00 55.03 O ATOM 1454 CB ARG A 98 -6.162 2.314 6.768 1.00 55.41 C ATOM 1455 CG ARG A 98 -6.626 3.584 7.453 1.00 74.03 C ATOM 1456 CD ARG A 98 -6.227 3.666 8.927 1.00 3.42 C ATOM 1457 NE ARG A 98 -6.549 2.459 9.701 1.00 60.51 N ATOM 1458 CZ ARG A 98 -7.440 2.378 10.692 1.00 50.23 C ATOM 1459 NH1 ARG A 98 -8.373 3.317 10.853 1.00 12.12 N ATOM 1460 NH2 ARG A 98 -7.421 1.328 11.500 1.00 23.02 N ATOM 0 H ARG A 98 -4.037 3.292 5.404 1.00 52.40 H new ATOM 0 HA ARG A 98 -4.436 1.890 7.946 1.00 71.44 H new ATOM 0 HB2 ARG A 98 -6.416 2.381 5.710 1.00 55.41 H new ATOM 0 HB3 ARG A 98 -6.725 1.476 7.178 1.00 55.41 H new ATOM 0 HG2 ARG A 98 -6.213 4.443 6.925 1.00 74.03 H new ATOM 0 HG3 ARG A 98 -7.711 3.653 7.375 1.00 74.03 H new ATOM 0 HD2 ARG A 98 -5.155 3.852 8.993 1.00 3.42 H new ATOM 0 HD3 ARG A 98 -6.728 4.521 9.381 1.00 3.42 H new ATOM 0 HE ARG A 98 -6.046 1.605 9.459 1.00 60.51 H new ATOM 0 HH11 ARG A 98 -8.413 4.111 10.214 1.00 12.12 H new ATOM 0 HH12 ARG A 98 -9.047 3.241 11.615 1.00 12.12 H new ATOM 0 HH21 ARG A 98 -6.730 0.591 11.362 1.00 23.02 H new ATOM 0 HH22 ARG A 98 -8.098 1.257 12.260 1.00 23.02 H new ATOM 1474 N MET A 99 -4.544 -0.349 6.805 1.00 33.15 N ATOM 1475 CA MET A 99 -4.381 -1.652 6.221 1.00 11.24 C ATOM 1476 C MET A 99 -5.606 -2.444 6.510 1.00 73.41 C ATOM 1477 O MET A 99 -5.859 -2.854 7.648 1.00 30.42 O ATOM 1478 CB MET A 99 -3.135 -2.377 6.722 1.00 33.53 C ATOM 1479 CG MET A 99 -1.834 -1.681 6.368 1.00 31.22 C ATOM 1480 SD MET A 99 -0.371 -2.526 7.024 1.00 43.44 S ATOM 1481 CE MET A 99 -0.473 -4.112 6.189 1.00 2.21 C ATOM 0 H MET A 99 -4.789 -0.367 7.795 1.00 33.15 H new ATOM 0 HA MET A 99 -4.241 -1.535 5.146 1.00 11.24 H new ATOM 0 HB2 MET A 99 -3.197 -2.480 7.805 1.00 33.53 H new ATOM 0 HB3 MET A 99 -3.121 -3.385 6.306 1.00 33.53 H new ATOM 0 HG2 MET A 99 -1.750 -1.612 5.283 1.00 31.22 H new ATOM 0 HG3 MET A 99 -1.859 -0.661 6.752 1.00 31.22 H new ATOM 0 HE1 MET A 99 0.486 -4.625 6.263 1.00 2.21 H new ATOM 0 HE2 MET A 99 -1.247 -4.720 6.657 1.00 2.21 H new ATOM 0 HE3 MET A 99 -0.720 -3.955 5.139 1.00 2.21 H new ATOM 1491 N HIS A 100 -6.371 -2.609 5.507 1.00 4.13 N ATOM 1492 CA HIS A 100 -7.634 -3.282 5.586 1.00 3.33 C ATOM 1493 C HIS A 100 -7.404 -4.738 5.302 1.00 62.00 C ATOM 1494 O HIS A 100 -7.432 -5.544 6.242 1.00 21.11 O ATOM 1495 CB HIS A 100 -8.640 -2.699 4.573 1.00 21.31 C ATOM 1496 CG HIS A 100 -8.895 -1.220 4.706 1.00 22.00 C ATOM 1497 ND1 HIS A 100 -10.039 -0.678 5.240 1.00 55.11 N ATOM 1498 CD2 HIS A 100 -8.131 -0.166 4.322 1.00 55.03 C ATOM 1499 CE1 HIS A 100 -9.943 0.654 5.165 1.00 61.41 C ATOM 1500 NE2 HIS A 100 -8.798 1.017 4.614 1.00 4.00 N ATOM 1501 OXT HIS A 100 -7.109 -5.071 4.149 1.00 38.52 O ATOM 0 H HIS A 100 -6.143 -2.275 4.571 1.00 4.13 H new ATOM 0 HA HIS A 100 -8.056 -3.147 6.582 1.00 3.33 H new ATOM 0 HB2 HIS A 100 -8.276 -2.900 3.566 1.00 21.31 H new ATOM 0 HB3 HIS A 100 -9.588 -3.227 4.681 1.00 21.31 H new ATOM 0 HD1 HIS A 100 -10.825 -1.201 5.627 1.00 55.11 H new ATOM 0 HD2 HIS A 100 -7.157 -0.236 3.861 1.00 55.03 H new ATOM 0 HE1 HIS A 100 -10.701 1.342 5.509 1.00 61.41 H new