USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 802 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 81 LYS NZ :NH3+ -172:sc= 0.381 (180deg=0) USER MOD Set 1.2: A 82 THR OG1 : rot 3:sc= 0.696 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0492 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0051) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.071) USER MOD Single : A 29 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.6) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.44! C(o=-2.4!,f=-6.1!) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0806) USER MOD Single : A 42 CYS SG : rot 170:sc= 0 USER MOD Single : A 43 MET CE :methyl -172:sc= 0 (180deg=-0.0272) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 0.675 (180deg=0.647) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 22:sc= 0.02 USER MOD Single : A 48 TYR OH : rot 13:sc= 0.401 USER MOD Single : A 50 ASN : amide:sc=-0.00591 X(o=-0.0059,f=-0.12) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0.242 (180deg=0.16) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 146:sc= 1.23 USER MOD Single : A 62 GLN : amide:sc= -0.941 X(o=-0.94,f=-1.1) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -89:sc= 1.25 USER MOD Single : A 68 SER OG : rot 180:sc= -0.197 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0857) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.646 K(o=0.65,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.236 -9.766 -17.440 1.00 0.00 N ATOM 2 CA MET A 1 -11.266 -8.774 -16.915 1.00 0.00 C ATOM 3 C MET A 1 -9.969 -9.457 -16.478 1.00 0.00 C ATOM 4 O MET A 1 -9.980 -10.656 -16.207 1.00 0.00 O ATOM 5 CB MET A 1 -11.821 -7.988 -15.717 1.00 0.00 C ATOM 6 CG MET A 1 -13.111 -7.208 -15.987 1.00 0.00 C ATOM 7 SD MET A 1 -13.597 -6.153 -14.597 1.00 0.00 S ATOM 8 CE MET A 1 -15.194 -5.560 -15.191 1.00 0.00 C ATOM 0 H1 MET A 1 -12.533 -9.488 -18.397 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.789 -10.704 -17.475 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.068 -9.802 -16.817 1.00 0.00 H new ATOM 0 HA MET A 1 -11.074 -8.080 -17.733 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.002 -8.685 -14.899 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.057 -7.288 -15.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.978 -6.592 -16.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.916 -7.910 -16.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.633 -4.893 -14.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.056 -5.020 -16.128 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.859 -6.408 -15.355 1.00 0.00 H new ATOM 20 N GLY A 2 -8.888 -8.688 -16.361 1.00 0.00 N ATOM 21 CA GLY A 2 -7.619 -9.174 -15.846 1.00 0.00 C ATOM 22 C GLY A 2 -6.505 -8.240 -16.296 1.00 0.00 C ATOM 23 O GLY A 2 -5.628 -8.630 -17.063 1.00 0.00 O ATOM 0 H GLY A 2 -8.873 -7.703 -16.624 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.650 -9.224 -14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.430 -10.185 -16.207 1.00 0.00 H new ATOM 27 N GLU A 3 -6.561 -6.995 -15.820 1.00 0.00 N ATOM 28 CA GLU A 3 -5.539 -5.985 -16.034 1.00 0.00 C ATOM 29 C GLU A 3 -5.131 -5.436 -14.673 1.00 0.00 C ATOM 30 O GLU A 3 -5.799 -5.699 -13.671 1.00 0.00 O ATOM 31 CB GLU A 3 -6.071 -4.868 -16.941 1.00 0.00 C ATOM 32 CG GLU A 3 -6.309 -5.377 -18.367 1.00 0.00 C ATOM 33 CD GLU A 3 -6.675 -4.229 -19.302 1.00 0.00 C ATOM 34 OE1 GLU A 3 -5.731 -3.623 -19.851 1.00 0.00 O ATOM 35 OE2 GLU A 3 -7.890 -3.971 -19.434 1.00 0.00 O ATOM 0 H GLU A 3 -7.344 -6.658 -15.260 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.673 -6.420 -16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.002 -4.476 -16.532 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.360 -4.042 -16.961 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.412 -5.877 -18.733 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.109 -6.118 -18.364 1.00 0.00 H new ATOM 42 N TRP A 4 -4.037 -4.678 -14.660 1.00 0.00 N ATOM 43 CA TRP A 4 -3.507 -4.028 -13.479 1.00 0.00 C ATOM 44 C TRP A 4 -3.637 -2.517 -13.659 1.00 0.00 C ATOM 45 O TRP A 4 -3.740 -2.039 -14.789 1.00 0.00 O ATOM 46 CB TRP A 4 -2.048 -4.432 -13.272 1.00 0.00 C ATOM 47 CG TRP A 4 -1.742 -5.897 -13.194 1.00 0.00 C ATOM 48 CD1 TRP A 4 -1.791 -6.787 -14.211 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.273 -6.646 -12.037 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.408 -8.032 -13.757 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.064 -8.001 -12.421 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.995 -6.303 -10.701 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.600 -8.972 -11.520 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.546 -7.269 -9.783 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.337 -8.598 -10.191 1.00 0.00 C ATOM 0 H TRP A 4 -3.484 -4.498 -15.498 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.066 -4.334 -12.595 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.462 -4.009 -14.088 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.697 -3.965 -12.352 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.085 -6.558 -15.225 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.382 -8.871 -14.337 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.129 -5.282 -10.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.447 -9.991 -11.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.360 -6.988 -8.757 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.025 -9.330 -9.484 1.00 0.00 H new ATOM 66 N GLU A 5 -3.656 -1.774 -12.552 1.00 0.00 N ATOM 67 CA GLU A 5 -3.879 -0.340 -12.515 1.00 0.00 C ATOM 68 C GLU A 5 -2.891 0.307 -11.543 1.00 0.00 C ATOM 69 O GLU A 5 -2.284 -0.355 -10.701 1.00 0.00 O ATOM 70 CB GLU A 5 -5.315 -0.070 -12.066 1.00 0.00 C ATOM 71 CG GLU A 5 -6.372 -0.471 -13.105 1.00 0.00 C ATOM 72 CD GLU A 5 -7.721 -0.720 -12.439 1.00 0.00 C ATOM 73 OE1 GLU A 5 -8.318 0.272 -11.970 1.00 0.00 O ATOM 74 OE2 GLU A 5 -8.111 -1.907 -12.374 1.00 0.00 O ATOM 0 H GLU A 5 -3.510 -2.175 -11.626 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.726 0.086 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.505 -0.612 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.423 0.991 -11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.470 0.316 -13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.049 -1.370 -13.630 1.00 0.00 H new ATOM 81 N ILE A 6 -2.746 1.622 -11.683 1.00 0.00 N ATOM 82 CA ILE A 6 -1.747 2.421 -10.995 1.00 0.00 C ATOM 83 C ILE A 6 -2.102 2.511 -9.504 1.00 0.00 C ATOM 84 O ILE A 6 -3.268 2.655 -9.143 1.00 0.00 O ATOM 85 CB ILE A 6 -1.658 3.809 -11.664 1.00 0.00 C ATOM 86 CG1 ILE A 6 -1.352 3.714 -13.174 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.592 4.685 -10.991 1.00 0.00 C ATOM 88 CD1 ILE A 6 -1.714 5.001 -13.926 1.00 0.00 C ATOM 0 H ILE A 6 -3.342 2.175 -12.299 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.764 1.956 -11.068 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.639 4.267 -11.539 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.292 3.500 -13.314 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.905 2.878 -13.602 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.554 5.656 -11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.845 4.823 -9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.381 4.199 -11.070 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.480 4.882 -14.984 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.779 5.202 -13.811 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.141 5.834 -13.519 1.00 0.00 H new ATOM 100 N ILE A 7 -1.084 2.429 -8.644 1.00 0.00 N ATOM 101 CA ILE A 7 -1.221 2.587 -7.198 1.00 0.00 C ATOM 102 C ILE A 7 -1.719 3.996 -6.841 1.00 0.00 C ATOM 103 O ILE A 7 -2.576 4.160 -5.982 1.00 0.00 O ATOM 104 CB ILE A 7 0.095 2.203 -6.480 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.066 2.510 -4.965 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.306 2.906 -7.102 1.00 0.00 C ATOM 107 CD1 ILE A 7 0.360 1.309 -4.057 1.00 0.00 C ATOM 0 H ILE A 7 -0.125 2.248 -8.941 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.984 1.897 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 7 0.189 1.125 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.794 3.293 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.915 2.909 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.211 2.611 -6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.392 2.622 -8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.178 3.986 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.317 1.622 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.382 0.530 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.354 0.920 -4.278 1.00 0.00 H new ATOM 119 N ASP A 8 -1.176 5.034 -7.476 1.00 0.00 N ATOM 120 CA ASP A 8 -1.430 6.410 -7.069 1.00 0.00 C ATOM 121 C ASP A 8 -0.767 6.666 -5.711 1.00 0.00 C ATOM 122 O ASP A 8 0.067 5.884 -5.259 1.00 0.00 O ATOM 123 CB ASP A 8 -2.933 6.749 -7.136 1.00 0.00 C ATOM 124 CG ASP A 8 -3.185 8.200 -7.537 1.00 0.00 C ATOM 125 OD1 ASP A 8 -2.928 9.078 -6.686 1.00 0.00 O ATOM 126 OD2 ASP A 8 -3.617 8.407 -8.693 1.00 0.00 O ATOM 0 H ASP A 8 -0.554 4.944 -8.279 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.971 7.105 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.420 6.087 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.389 6.559 -6.164 1.00 0.00 H new ATOM 131 N ILE A 9 -1.089 7.798 -5.097 1.00 0.00 N ATOM 132 CA ILE A 9 -0.391 8.367 -3.957 1.00 0.00 C ATOM 133 C ILE A 9 -1.454 8.893 -2.987 1.00 0.00 C ATOM 134 O ILE A 9 -2.648 8.856 -3.280 1.00 0.00 O ATOM 135 CB ILE A 9 0.573 9.460 -4.482 1.00 0.00 C ATOM 136 CG1 ILE A 9 1.635 8.923 -5.467 1.00 0.00 C ATOM 137 CG2 ILE A 9 1.297 10.240 -3.380 1.00 0.00 C ATOM 138 CD1 ILE A 9 2.654 7.964 -4.838 1.00 0.00 C ATOM 0 H ILE A 9 -1.880 8.368 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 9 0.218 7.642 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.098 10.139 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.128 8.410 -6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.169 9.767 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.952 10.985 -3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.564 10.738 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.891 9.552 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.362 7.635 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.191 8.476 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.134 7.098 -4.428 1.00 0.00 H new ATOM 150 N GLY A 10 -1.029 9.352 -1.810 1.00 0.00 N ATOM 151 CA GLY A 10 -1.930 9.841 -0.783 1.00 0.00 C ATOM 152 C GLY A 10 -2.551 8.653 -0.047 1.00 0.00 C ATOM 153 O GLY A 10 -1.809 7.745 0.340 1.00 0.00 O ATOM 0 H GLY A 10 -0.044 9.393 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.389 10.476 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.712 10.455 -1.231 1.00 0.00 H new ATOM 157 N PRO A 11 -3.878 8.627 0.164 1.00 0.00 N ATOM 158 CA PRO A 11 -4.541 7.653 1.023 1.00 0.00 C ATOM 159 C PRO A 11 -4.675 6.305 0.308 1.00 0.00 C ATOM 160 O PRO A 11 -5.777 5.829 0.047 1.00 0.00 O ATOM 161 CB PRO A 11 -5.899 8.287 1.346 1.00 0.00 C ATOM 162 CG PRO A 11 -6.217 9.055 0.063 1.00 0.00 C ATOM 163 CD PRO A 11 -4.844 9.582 -0.357 1.00 0.00 C ATOM 0 HA PRO A 11 -3.982 7.436 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.656 7.535 1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.843 8.947 2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.654 8.409 -0.699 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.926 9.864 0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.770 9.661 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.667 10.578 0.048 1.00 0.00 H new ATOM 171 N PHE A 12 -3.541 5.686 -0.020 1.00 0.00 N ATOM 172 CA PHE A 12 -3.480 4.446 -0.766 1.00 0.00 C ATOM 173 C PHE A 12 -2.161 3.764 -0.408 1.00 0.00 C ATOM 174 O PHE A 12 -2.144 2.891 0.457 1.00 0.00 O ATOM 175 CB PHE A 12 -3.684 4.746 -2.261 1.00 0.00 C ATOM 176 CG PHE A 12 -4.035 3.566 -3.146 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.139 2.490 -3.281 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.113 3.683 -4.046 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.248 1.615 -4.372 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.223 2.805 -5.137 1.00 0.00 C ATOM 181 CZ PHE A 12 -4.254 1.810 -5.333 1.00 0.00 C ATOM 0 H PHE A 12 -2.622 6.048 0.235 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.276 3.747 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.475 5.490 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.771 5.201 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.365 2.337 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.858 4.451 -3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.558 0.791 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.052 2.896 -5.823 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.281 1.195 -6.221 1.00 0.00 H new ATOM 191 N THR A 13 -1.046 4.202 -1.008 1.00 0.00 N ATOM 192 CA THR A 13 0.265 3.644 -0.704 1.00 0.00 C ATOM 193 C THR A 13 0.551 3.823 0.786 1.00 0.00 C ATOM 194 O THR A 13 0.968 2.887 1.463 1.00 0.00 O ATOM 195 CB THR A 13 1.349 4.253 -1.617 1.00 0.00 C ATOM 196 OG1 THR A 13 2.540 3.496 -1.545 1.00 0.00 O ATOM 197 CG2 THR A 13 1.676 5.726 -1.342 1.00 0.00 C ATOM 0 H THR A 13 -1.033 4.944 -1.708 1.00 0.00 H new ATOM 0 HA THR A 13 0.277 2.574 -0.913 1.00 0.00 H new ATOM 0 HB THR A 13 0.919 4.217 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.217 3.894 -2.131 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.448 6.063 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.779 6.329 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.034 5.834 -0.318 1.00 0.00 H new ATOM 205 N GLN A 14 0.284 5.023 1.304 1.00 0.00 N ATOM 206 CA GLN A 14 0.480 5.330 2.707 1.00 0.00 C ATOM 207 C GLN A 14 -0.491 4.527 3.571 1.00 0.00 C ATOM 208 O GLN A 14 -0.088 3.992 4.596 1.00 0.00 O ATOM 209 CB GLN A 14 0.352 6.843 2.920 1.00 0.00 C ATOM 210 CG GLN A 14 1.726 7.480 3.160 1.00 0.00 C ATOM 211 CD GLN A 14 1.671 8.995 3.002 1.00 0.00 C ATOM 212 OE1 GLN A 14 1.546 9.727 3.976 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.765 9.478 1.766 1.00 0.00 N ATOM 0 H GLN A 14 -0.074 5.805 0.755 1.00 0.00 H new ATOM 0 HA GLN A 14 1.483 5.037 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.117 7.299 2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.299 7.041 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.075 7.229 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.449 7.065 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.868 8.841 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.734 10.485 1.608 1.00 0.00 H new ATOM 222 N ASN A 15 -1.756 4.420 3.158 1.00 0.00 N ATOM 223 CA ASN A 15 -2.759 3.651 3.892 1.00 0.00 C ATOM 224 C ASN A 15 -2.294 2.206 4.097 1.00 0.00 C ATOM 225 O ASN A 15 -2.152 1.737 5.220 1.00 0.00 O ATOM 226 CB ASN A 15 -4.099 3.690 3.151 1.00 0.00 C ATOM 227 CG ASN A 15 -5.175 2.977 3.961 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.725 3.543 4.897 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.480 1.727 3.621 1.00 0.00 N ATOM 0 H ASN A 15 -2.111 4.862 2.310 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.892 4.103 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.394 4.724 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.996 3.216 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.189 1.214 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.005 1.282 2.836 1.00 0.00 H new ATOM 236 N LEU A 16 -2.035 1.518 2.988 1.00 0.00 N ATOM 237 CA LEU A 16 -1.432 0.188 2.930 1.00 0.00 C ATOM 238 C LEU A 16 -0.156 0.115 3.767 1.00 0.00 C ATOM 239 O LEU A 16 0.011 -0.811 4.558 1.00 0.00 O ATOM 240 CB LEU A 16 -1.119 -0.144 1.464 1.00 0.00 C ATOM 241 CG LEU A 16 -2.386 -0.374 0.621 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.097 -0.174 -0.870 1.00 0.00 C ATOM 243 CD2 LEU A 16 -2.908 -1.790 0.850 1.00 0.00 C ATOM 0 H LEU A 16 -2.249 1.889 2.062 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.135 -0.536 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.540 0.670 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.494 -1.036 1.424 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.137 0.353 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.009 -0.342 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.745 0.844 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.331 -0.881 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.805 -1.948 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.145 -2.511 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.148 -1.923 1.905 1.00 0.00 H new ATOM 255 N ALA A 17 0.754 1.068 3.592 1.00 0.00 N ATOM 256 CA ALA A 17 2.006 1.084 4.334 1.00 0.00 C ATOM 257 C ALA A 17 1.752 1.121 5.844 1.00 0.00 C ATOM 258 O ALA A 17 2.353 0.356 6.599 1.00 0.00 O ATOM 259 CB ALA A 17 2.834 2.278 3.874 1.00 0.00 C ATOM 0 H ALA A 17 0.645 1.843 2.938 1.00 0.00 H new ATOM 0 HA ALA A 17 2.561 0.168 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.775 2.301 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.038 2.190 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.281 3.198 4.063 1.00 0.00 H new ATOM 265 N LYS A 18 0.845 2.000 6.284 1.00 0.00 N ATOM 266 CA LYS A 18 0.483 2.116 7.679 1.00 0.00 C ATOM 267 C LYS A 18 -0.130 0.802 8.125 1.00 0.00 C ATOM 268 O LYS A 18 0.283 0.261 9.142 1.00 0.00 O ATOM 269 CB LYS A 18 -0.493 3.285 7.904 1.00 0.00 C ATOM 270 CG LYS A 18 0.116 4.365 8.802 1.00 0.00 C ATOM 271 CD LYS A 18 0.324 3.829 10.225 1.00 0.00 C ATOM 272 CE LYS A 18 0.782 4.958 11.154 1.00 0.00 C ATOM 273 NZ LYS A 18 1.036 4.459 12.517 1.00 0.00 N ATOM 0 H LYS A 18 0.347 2.647 5.672 1.00 0.00 H new ATOM 0 HA LYS A 18 1.373 2.327 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.766 3.722 6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.411 2.911 8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.069 4.695 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.539 5.236 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.604 3.396 10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.067 3.032 10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.689 5.414 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.021 5.737 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.345 5.246 13.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.163 4.046 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.780 3.733 12.488 1.00 0.00 H new ATOM 287 N PHE A 19 -1.090 0.291 7.351 1.00 0.00 N ATOM 288 CA PHE A 19 -1.746 -0.980 7.600 1.00 0.00 C ATOM 289 C PHE A 19 -0.693 -2.046 7.884 1.00 0.00 C ATOM 290 O PHE A 19 -0.770 -2.703 8.914 1.00 0.00 O ATOM 291 CB PHE A 19 -2.647 -1.349 6.416 1.00 0.00 C ATOM 292 CG PHE A 19 -3.541 -2.554 6.637 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.607 -2.488 7.555 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.344 -3.722 5.878 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.478 -3.583 7.702 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.193 -4.826 6.054 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.273 -4.748 6.943 1.00 0.00 C ATOM 0 H PHE A 19 -1.436 0.765 6.517 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.388 -0.906 8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.274 -0.490 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.018 -1.538 5.546 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.756 -1.597 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.539 -3.769 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.303 -3.528 8.397 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.013 -5.737 5.503 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.949 -5.584 7.045 1.00 0.00 H new ATOM 307 N ALA A 20 0.323 -2.175 7.022 1.00 0.00 N ATOM 308 CA ALA A 20 1.407 -3.123 7.259 1.00 0.00 C ATOM 309 C ALA A 20 1.928 -3.020 8.695 1.00 0.00 C ATOM 310 O ALA A 20 1.835 -3.976 9.460 1.00 0.00 O ATOM 311 CB ALA A 20 2.562 -2.964 6.264 1.00 0.00 C ATOM 0 H ALA A 20 0.413 -1.636 6.161 1.00 0.00 H new ATOM 0 HA ALA A 20 0.982 -4.115 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.339 -3.695 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.194 -3.125 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.975 -1.959 6.344 1.00 0.00 H new ATOM 317 N VAL A 21 2.483 -1.862 9.061 1.00 0.00 N ATOM 318 CA VAL A 21 3.174 -1.713 10.332 1.00 0.00 C ATOM 319 C VAL A 21 2.178 -1.771 11.488 1.00 0.00 C ATOM 320 O VAL A 21 2.348 -2.553 12.421 1.00 0.00 O ATOM 321 CB VAL A 21 3.954 -0.388 10.365 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.704 -0.294 11.699 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.976 -0.220 9.232 1.00 0.00 C ATOM 0 H VAL A 21 2.464 -1.017 8.491 1.00 0.00 H new ATOM 0 HA VAL A 21 3.881 -2.535 10.441 1.00 0.00 H new ATOM 0 HB VAL A 21 3.213 0.402 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.262 0.641 11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.989 -0.324 12.521 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.394 -1.133 11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.478 0.742 9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.713 -1.022 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.464 -0.261 8.271 1.00 0.00 H new ATOM 333 N ASP A 22 1.164 -0.911 11.438 1.00 0.00 N ATOM 334 CA ASP A 22 0.135 -0.767 12.452 1.00 0.00 C ATOM 335 C ASP A 22 -0.498 -2.118 12.751 1.00 0.00 C ATOM 336 O ASP A 22 -0.577 -2.534 13.904 1.00 0.00 O ATOM 337 CB ASP A 22 -0.939 0.213 11.964 1.00 0.00 C ATOM 338 CG ASP A 22 -2.098 0.310 12.950 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.934 1.050 13.942 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.123 -0.356 12.688 1.00 0.00 O ATOM 0 H ASP A 22 1.036 -0.270 10.655 1.00 0.00 H new ATOM 0 HA ASP A 22 0.588 -0.380 13.364 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.496 1.199 11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.313 -0.110 10.992 1.00 0.00 H new ATOM 345 N GLU A 23 -0.960 -2.799 11.703 1.00 0.00 N ATOM 346 CA GLU A 23 -1.703 -4.032 11.878 1.00 0.00 C ATOM 347 C GLU A 23 -0.752 -5.107 12.395 1.00 0.00 C ATOM 348 O GLU A 23 -1.045 -5.803 13.370 1.00 0.00 O ATOM 349 CB GLU A 23 -2.378 -4.393 10.551 1.00 0.00 C ATOM 350 CG GLU A 23 -3.693 -5.141 10.723 1.00 0.00 C ATOM 351 CD GLU A 23 -3.560 -6.618 11.084 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.420 -7.128 11.059 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.623 -7.218 11.353 1.00 0.00 O ATOM 0 H GLU A 23 -0.831 -2.515 10.732 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.497 -3.929 12.618 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.560 -3.480 9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.696 -5.004 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.275 -4.645 11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.262 -5.060 9.797 1.00 0.00 H new ATOM 360 N GLU A 24 0.424 -5.200 11.768 1.00 0.00 N ATOM 361 CA GLU A 24 1.429 -6.150 12.197 1.00 0.00 C ATOM 362 C GLU A 24 1.833 -5.910 13.657 1.00 0.00 C ATOM 363 O GLU A 24 2.107 -6.875 14.361 1.00 0.00 O ATOM 364 CB GLU A 24 2.614 -6.152 11.218 1.00 0.00 C ATOM 365 CG GLU A 24 3.656 -7.217 11.545 1.00 0.00 C ATOM 366 CD GLU A 24 3.057 -8.610 11.645 1.00 0.00 C ATOM 367 OE1 GLU A 24 2.119 -8.916 10.879 1.00 0.00 O ATOM 368 OE2 GLU A 24 3.571 -9.357 12.500 1.00 0.00 O ATOM 0 H GLU A 24 0.693 -4.628 10.967 1.00 0.00 H new ATOM 0 HA GLU A 24 1.008 -7.155 12.174 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.242 -6.314 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.089 -5.171 11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.429 -7.212 10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.143 -6.966 12.488 1.00 0.00 H new ATOM 375 N ASN A 25 1.849 -4.659 14.130 1.00 0.00 N ATOM 376 CA ASN A 25 2.065 -4.340 15.534 1.00 0.00 C ATOM 377 C ASN A 25 0.877 -4.796 16.378 1.00 0.00 C ATOM 378 O ASN A 25 1.066 -5.433 17.410 1.00 0.00 O ATOM 379 CB ASN A 25 2.284 -2.831 15.708 1.00 0.00 C ATOM 380 CG ASN A 25 3.756 -2.450 15.609 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.404 -2.174 16.612 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.300 -2.427 14.397 1.00 0.00 N ATOM 0 H ASN A 25 1.711 -3.838 13.540 1.00 0.00 H new ATOM 0 HA ASN A 25 2.956 -4.869 15.873 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.719 -2.293 14.947 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.893 -2.518 16.676 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.282 -2.175 14.283 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.736 -2.662 13.580 1.00 0.00 H new ATOM 389 N LYS A 26 -0.341 -4.449 15.953 1.00 0.00 N ATOM 390 CA LYS A 26 -1.569 -4.788 16.660 1.00 0.00 C ATOM 391 C LYS A 26 -1.636 -6.294 16.931 1.00 0.00 C ATOM 392 O LYS A 26 -2.075 -6.698 18.006 1.00 0.00 O ATOM 393 CB LYS A 26 -2.780 -4.254 15.873 1.00 0.00 C ATOM 394 CG LYS A 26 -4.136 -4.593 16.512 1.00 0.00 C ATOM 395 CD LYS A 26 -4.755 -5.840 15.861 1.00 0.00 C ATOM 396 CE LYS A 26 -6.048 -6.279 16.557 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.784 -6.809 17.907 1.00 0.00 N ATOM 0 H LYS A 26 -0.499 -3.918 15.097 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.584 -4.306 17.638 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.693 -3.171 15.782 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.753 -4.662 14.863 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.006 -4.763 17.581 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.815 -3.747 16.404 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.962 -5.634 14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.034 -6.657 15.889 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.731 -5.432 16.625 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.544 -7.041 15.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.652 -7.235 18.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.037 -7.531 17.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.476 -6.035 18.530 1.00 0.00 H new ATOM 411 N ILE A 27 -1.214 -7.117 15.965 1.00 0.00 N ATOM 412 CA ILE A 27 -1.159 -8.564 16.151 1.00 0.00 C ATOM 413 C ILE A 27 0.174 -9.015 16.763 1.00 0.00 C ATOM 414 O ILE A 27 0.190 -9.601 17.843 1.00 0.00 O ATOM 415 CB ILE A 27 -1.471 -9.297 14.836 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.922 -8.992 14.412 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.239 -10.797 15.065 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.379 -9.737 13.153 1.00 0.00 C ATOM 0 H ILE A 27 -0.906 -6.801 15.046 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.932 -8.835 16.870 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.821 -8.962 14.028 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.590 -9.248 15.234 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.021 -7.920 14.242 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.453 -11.343 14.146 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.201 -10.965 15.353 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.897 -11.150 15.859 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.410 -9.466 12.924 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.737 -9.463 12.315 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.315 -10.812 13.323 1.00 0.00 H new ATOM 430 N GLY A 28 1.280 -8.817 16.043 1.00 0.00 N ATOM 431 CA GLY A 28 2.597 -9.316 16.415 1.00 0.00 C ATOM 432 C GLY A 28 2.831 -10.751 15.933 1.00 0.00 C ATOM 433 O GLY A 28 3.023 -11.647 16.750 1.00 0.00 O ATOM 0 H GLY A 28 1.281 -8.294 15.167 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.363 -8.664 15.994 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.705 -9.277 17.499 1.00 0.00 H new ATOM 437 N GLN A 29 2.851 -10.972 14.610 1.00 0.00 N ATOM 438 CA GLN A 29 3.299 -12.234 14.018 1.00 0.00 C ATOM 439 C GLN A 29 4.825 -12.189 13.832 1.00 0.00 C ATOM 440 O GLN A 29 5.565 -12.884 14.524 1.00 0.00 O ATOM 441 CB GLN A 29 2.610 -12.499 12.660 1.00 0.00 C ATOM 442 CG GLN A 29 1.534 -13.596 12.662 1.00 0.00 C ATOM 443 CD GLN A 29 0.128 -13.090 12.947 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.535 -13.574 13.857 1.00 0.00 O ATOM 445 NE2 GLN A 29 -0.356 -12.146 12.142 1.00 0.00 N ATOM 0 H GLN A 29 2.556 -10.278 13.923 1.00 0.00 H new ATOM 0 HA GLN A 29 3.027 -13.047 14.691 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.155 -11.570 12.317 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.375 -12.767 11.931 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.539 -14.096 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.797 -14.345 13.409 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.225 -11.766 11.395 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.308 -11.803 12.273 1.00 0.00 H new ATOM 454 N TYR A 30 5.275 -11.395 12.854 1.00 0.00 N ATOM 455 CA TYR A 30 6.660 -11.274 12.402 1.00 0.00 C ATOM 456 C TYR A 30 7.253 -9.917 12.794 1.00 0.00 C ATOM 457 O TYR A 30 8.403 -9.851 13.218 1.00 0.00 O ATOM 458 CB TYR A 30 6.780 -11.506 10.878 1.00 0.00 C ATOM 459 CG TYR A 30 5.493 -11.508 10.069 1.00 0.00 C ATOM 460 CD1 TYR A 30 4.972 -10.312 9.537 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.834 -12.727 9.817 1.00 0.00 C ATOM 462 CE1 TYR A 30 3.764 -10.334 8.818 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.620 -12.743 9.112 1.00 0.00 C ATOM 464 CZ TYR A 30 3.078 -11.543 8.626 1.00 0.00 C ATOM 465 OH TYR A 30 1.886 -11.546 7.966 1.00 0.00 O ATOM 0 H TYR A 30 4.646 -10.787 12.330 1.00 0.00 H new ATOM 0 HA TYR A 30 7.235 -12.052 12.903 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.434 -10.735 10.470 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.279 -12.462 10.721 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.499 -9.381 9.681 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.264 -13.653 10.168 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.363 -9.417 8.412 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.104 -13.677 8.944 1.00 0.00 H new ATOM 0 HH TYR A 30 1.542 -12.462 7.916 1.00 0.00 H new ATOM 475 N GLY A 31 6.483 -8.837 12.627 1.00 0.00 N ATOM 476 CA GLY A 31 6.981 -7.476 12.805 1.00 0.00 C ATOM 477 C GLY A 31 7.412 -6.901 11.457 1.00 0.00 C ATOM 478 O GLY A 31 7.929 -7.624 10.606 1.00 0.00 O ATOM 0 H GLY A 31 5.498 -8.885 12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.205 -6.850 13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.823 -7.475 13.497 1.00 0.00 H new ATOM 482 N ARG A 32 7.210 -5.596 11.236 1.00 0.00 N ATOM 483 CA ARG A 32 7.442 -4.933 9.949 1.00 0.00 C ATOM 484 C ARG A 32 8.929 -4.591 9.764 1.00 0.00 C ATOM 485 O ARG A 32 9.302 -3.520 9.278 1.00 0.00 O ATOM 486 CB ARG A 32 6.514 -3.709 9.867 1.00 0.00 C ATOM 487 CG ARG A 32 5.850 -3.501 8.498 1.00 0.00 C ATOM 488 CD ARG A 32 6.733 -2.829 7.437 1.00 0.00 C ATOM 489 NE ARG A 32 7.517 -3.794 6.661 1.00 0.00 N ATOM 490 CZ ARG A 32 7.000 -4.730 5.856 1.00 0.00 C ATOM 491 NH1 ARG A 32 5.682 -4.800 5.655 1.00 0.00 N ATOM 492 NH2 ARG A 32 7.812 -5.597 5.254 1.00 0.00 N ATOM 0 H ARG A 32 6.875 -4.961 11.960 1.00 0.00 H new ATOM 0 HA ARG A 32 7.200 -5.599 9.121 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.735 -3.809 10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.088 -2.817 10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.527 -4.470 8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.953 -2.898 8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.104 -2.250 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.409 -2.126 7.924 1.00 0.00 H new ATOM 0 HE ARG A 32 8.533 -3.749 6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.060 -4.137 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.297 -5.517 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.819 -5.544 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.427 -6.314 4.639 1.00 0.00 H new ATOM 506 N LEU A 33 9.782 -5.544 10.144 1.00 0.00 N ATOM 507 CA LEU A 33 11.204 -5.342 10.359 1.00 0.00 C ATOM 508 C LEU A 33 11.409 -4.017 11.111 1.00 0.00 C ATOM 509 O LEU A 33 10.715 -3.785 12.100 1.00 0.00 O ATOM 510 CB LEU A 33 11.984 -5.523 9.053 1.00 0.00 C ATOM 511 CG LEU A 33 12.079 -6.969 8.526 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.801 -7.911 9.496 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.732 -7.573 8.129 1.00 0.00 C ATOM 0 H LEU A 33 9.486 -6.505 10.314 1.00 0.00 H new ATOM 0 HA LEU A 33 11.630 -6.108 11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.518 -4.906 8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.995 -5.142 9.199 1.00 0.00 H new ATOM 0 HG LEU A 33 12.677 -6.878 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.837 -8.914 9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.816 -7.552 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.264 -7.938 10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.882 -8.591 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.071 -7.588 8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.282 -6.971 7.340 1.00 0.00 H new ATOM 525 N THR A 34 12.327 -3.152 10.676 1.00 0.00 N ATOM 526 CA THR A 34 12.735 -1.986 11.453 1.00 0.00 C ATOM 527 C THR A 34 12.430 -0.706 10.673 1.00 0.00 C ATOM 528 O THR A 34 13.354 -0.007 10.269 1.00 0.00 O ATOM 529 CB THR A 34 14.216 -2.131 11.839 1.00 0.00 C ATOM 530 OG1 THR A 34 14.452 -3.446 12.308 1.00 0.00 O ATOM 531 CG2 THR A 34 14.618 -1.152 12.949 1.00 0.00 C ATOM 0 H THR A 34 12.805 -3.241 9.779 1.00 0.00 H new ATOM 0 HA THR A 34 12.167 -1.920 12.381 1.00 0.00 H new ATOM 0 HB THR A 34 14.807 -1.914 10.950 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.396 -3.541 12.553 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.672 -1.289 13.191 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.453 -0.129 12.609 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.015 -1.341 13.837 1.00 0.00 H new ATOM 539 N PHE A 35 11.136 -0.401 10.485 1.00 0.00 N ATOM 540 CA PHE A 35 10.636 0.808 9.825 1.00 0.00 C ATOM 541 C PHE A 35 11.517 1.214 8.636 1.00 0.00 C ATOM 542 O PHE A 35 12.209 2.229 8.669 1.00 0.00 O ATOM 543 CB PHE A 35 10.459 1.942 10.851 1.00 0.00 C ATOM 544 CG PHE A 35 9.012 2.246 11.173 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.215 2.904 10.217 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.472 1.914 12.427 1.00 0.00 C ATOM 547 CE1 PHE A 35 6.893 3.263 10.528 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.154 2.278 12.740 1.00 0.00 C ATOM 549 CZ PHE A 35 6.370 2.973 11.800 1.00 0.00 C ATOM 0 H PHE A 35 10.385 -1.014 10.801 1.00 0.00 H new ATOM 0 HA PHE A 35 9.654 0.592 9.405 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.979 1.673 11.771 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.935 2.845 10.468 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.621 3.133 9.243 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.071 1.379 13.149 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.280 3.761 9.791 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.740 2.024 13.705 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.368 3.283 12.056 1.00 0.00 H new ATOM 559 N ASN A 36 11.508 0.384 7.592 1.00 0.00 N ATOM 560 CA ASN A 36 12.466 0.454 6.509 1.00 0.00 C ATOM 561 C ASN A 36 11.915 1.422 5.448 1.00 0.00 C ATOM 562 O ASN A 36 12.016 2.627 5.658 1.00 0.00 O ATOM 563 CB ASN A 36 12.864 -0.979 6.077 1.00 0.00 C ATOM 564 CG ASN A 36 12.380 -2.073 7.053 1.00 0.00 C ATOM 565 OD1 ASN A 36 13.132 -2.586 7.879 1.00 0.00 O ATOM 566 ND2 ASN A 36 11.094 -2.430 6.976 1.00 0.00 N ATOM 0 H ASN A 36 10.822 -0.363 7.482 1.00 0.00 H new ATOM 0 HA ASN A 36 13.427 0.888 6.787 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.454 -1.179 5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.949 -1.035 5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.723 -3.138 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.484 -1.994 6.284 1.00 0.00 H new ATOM 573 N LYS A 37 11.291 0.963 4.355 1.00 0.00 N ATOM 574 CA LYS A 37 10.553 1.825 3.424 1.00 0.00 C ATOM 575 C LYS A 37 9.846 0.954 2.382 1.00 0.00 C ATOM 576 O LYS A 37 10.053 -0.256 2.353 1.00 0.00 O ATOM 577 CB LYS A 37 11.448 2.880 2.736 1.00 0.00 C ATOM 578 CG LYS A 37 12.630 2.262 1.974 1.00 0.00 C ATOM 579 CD LYS A 37 13.972 2.469 2.702 1.00 0.00 C ATOM 580 CE LYS A 37 14.763 3.654 2.136 1.00 0.00 C ATOM 581 NZ LYS A 37 15.311 3.349 0.800 1.00 0.00 N ATOM 0 H LYS A 37 11.284 -0.022 4.091 1.00 0.00 H new ATOM 0 HA LYS A 37 9.820 2.384 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.843 3.465 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.829 3.571 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.454 1.195 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.688 2.703 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.786 2.633 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.571 1.562 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.116 4.529 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.577 3.907 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.014 4.070 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.765 2.413 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.541 3.348 0.101 1.00 0.00 H new ATOM 595 N VAL A 38 9.047 1.568 1.507 1.00 0.00 N ATOM 596 CA VAL A 38 8.441 0.928 0.345 1.00 0.00 C ATOM 597 C VAL A 38 9.055 1.506 -0.931 1.00 0.00 C ATOM 598 O VAL A 38 9.361 2.698 -0.968 1.00 0.00 O ATOM 599 CB VAL A 38 6.907 1.063 0.437 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.436 2.525 0.411 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.168 0.274 -0.651 1.00 0.00 C ATOM 0 H VAL A 38 8.798 2.554 1.593 1.00 0.00 H new ATOM 0 HA VAL A 38 8.651 -0.141 0.319 1.00 0.00 H new ATOM 0 HB VAL A 38 6.653 0.632 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.349 2.558 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.869 3.062 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.756 2.994 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.093 0.410 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.473 0.635 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.412 -0.785 -0.562 1.00 0.00 H new ATOM 611 N ILE A 39 9.278 0.668 -1.953 1.00 0.00 N ATOM 612 CA ILE A 39 9.759 1.162 -3.241 1.00 0.00 C ATOM 613 C ILE A 39 8.626 1.901 -3.954 1.00 0.00 C ATOM 614 O ILE A 39 7.512 1.995 -3.439 1.00 0.00 O ATOM 615 CB ILE A 39 10.395 0.041 -4.095 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.402 -0.970 -4.691 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.435 -0.724 -3.262 1.00 0.00 C ATOM 618 CD1 ILE A 39 8.711 -0.551 -5.991 1.00 0.00 C ATOM 0 H ILE A 39 9.134 -0.341 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 39 10.567 1.874 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 39 10.850 0.556 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.932 -1.906 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.634 -1.176 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.879 -1.512 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.214 -0.037 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.950 -1.166 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.035 -1.342 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.144 0.364 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.461 -0.376 -6.762 1.00 0.00 H new ATOM 630 N ARG A 40 8.890 2.424 -5.150 1.00 0.00 N ATOM 631 CA ARG A 40 7.887 3.095 -5.950 1.00 0.00 C ATOM 632 C ARG A 40 8.319 3.040 -7.416 1.00 0.00 C ATOM 633 O ARG A 40 9.522 3.070 -7.673 1.00 0.00 O ATOM 634 CB ARG A 40 7.700 4.534 -5.444 1.00 0.00 C ATOM 635 CG ARG A 40 9.031 5.287 -5.267 1.00 0.00 C ATOM 636 CD ARG A 40 8.806 6.689 -4.692 1.00 0.00 C ATOM 637 NE ARG A 40 8.232 6.620 -3.342 1.00 0.00 N ATOM 638 CZ ARG A 40 7.898 7.684 -2.598 1.00 0.00 C ATOM 639 NH1 ARG A 40 8.109 8.921 -3.059 1.00 0.00 N ATOM 640 NH2 ARG A 40 7.355 7.499 -1.391 1.00 0.00 N ATOM 0 H ARG A 40 9.811 2.390 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 40 6.920 2.600 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.070 5.081 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.172 4.512 -4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.686 4.721 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.539 5.363 -6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.752 7.229 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.139 7.251 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 40 8.076 5.695 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.526 9.058 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.853 9.728 -2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.198 6.554 -1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.098 8.303 -0.819 1.00 0.00 H new ATOM 654 N PRO A 41 7.382 2.976 -8.376 1.00 0.00 N ATOM 655 CA PRO A 41 5.945 2.817 -8.183 1.00 0.00 C ATOM 656 C PRO A 41 5.580 1.360 -7.845 1.00 0.00 C ATOM 657 O PRO A 41 6.426 0.471 -7.893 1.00 0.00 O ATOM 658 CB PRO A 41 5.329 3.262 -9.513 1.00 0.00 C ATOM 659 CG PRO A 41 6.389 2.858 -10.537 1.00 0.00 C ATOM 660 CD PRO A 41 7.702 3.087 -9.789 1.00 0.00 C ATOM 0 HA PRO A 41 5.573 3.405 -7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.376 2.767 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.140 4.335 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.277 1.818 -10.844 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.329 3.465 -11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.450 2.349 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.116 4.068 -10.019 1.00 0.00 H new ATOM 668 N CYS A 42 4.307 1.133 -7.503 1.00 0.00 N ATOM 669 CA CYS A 42 3.692 -0.168 -7.218 1.00 0.00 C ATOM 670 C CYS A 42 2.513 -0.332 -8.187 1.00 0.00 C ATOM 671 O CYS A 42 2.333 0.515 -9.063 1.00 0.00 O ATOM 672 CB CYS A 42 3.192 -0.210 -5.768 1.00 0.00 C ATOM 673 SG CYS A 42 4.518 -0.109 -4.540 1.00 0.00 S ATOM 0 H CYS A 42 3.639 1.898 -7.412 1.00 0.00 H new ATOM 0 HA CYS A 42 4.415 -0.974 -7.346 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.497 0.614 -5.608 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.633 -1.133 -5.612 1.00 0.00 H new ATOM 0 HG CYS A 42 4.003 0.064 -3.359 1.00 0.00 H new ATOM 679 N MET A 43 1.693 -1.384 -8.051 1.00 0.00 N ATOM 680 CA MET A 43 0.648 -1.670 -9.032 1.00 0.00 C ATOM 681 C MET A 43 -0.439 -2.580 -8.427 1.00 0.00 C ATOM 682 O MET A 43 -0.124 -3.525 -7.707 1.00 0.00 O ATOM 683 CB MET A 43 1.339 -2.268 -10.268 1.00 0.00 C ATOM 684 CG MET A 43 0.379 -2.605 -11.410 1.00 0.00 C ATOM 685 SD MET A 43 1.005 -2.350 -13.091 1.00 0.00 S ATOM 686 CE MET A 43 1.049 -0.543 -13.166 1.00 0.00 C ATOM 0 H MET A 43 1.736 -2.044 -7.275 1.00 0.00 H new ATOM 0 HA MET A 43 0.118 -0.766 -9.332 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.087 -1.563 -10.631 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.870 -3.173 -9.973 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.083 -3.649 -11.310 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.523 -2.005 -11.287 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.277 -0.227 -14.184 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.079 -0.143 -12.870 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.817 -0.169 -12.489 1.00 0.00 H new ATOM 696 N LYS A 44 -1.720 -2.281 -8.680 1.00 0.00 N ATOM 697 CA LYS A 44 -2.865 -3.009 -8.147 1.00 0.00 C ATOM 698 C LYS A 44 -3.612 -3.747 -9.260 1.00 0.00 C ATOM 699 O LYS A 44 -3.284 -3.565 -10.429 1.00 0.00 O ATOM 700 CB LYS A 44 -3.758 -2.003 -7.408 1.00 0.00 C ATOM 701 CG LYS A 44 -4.690 -1.170 -8.301 1.00 0.00 C ATOM 702 CD LYS A 44 -6.151 -1.390 -7.881 1.00 0.00 C ATOM 703 CE LYS A 44 -7.112 -0.721 -8.867 1.00 0.00 C ATOM 704 NZ LYS A 44 -8.455 -0.560 -8.289 1.00 0.00 N ATOM 0 H LYS A 44 -1.990 -1.501 -9.280 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.539 -3.779 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.366 -2.546 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.120 -1.323 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.435 -0.113 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.556 -1.453 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.362 -2.458 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.311 -0.986 -6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.719 0.255 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.176 -1.319 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.046 0.000 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.887 -1.496 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.383 -0.071 -7.374 1.00 0.00 H new ATOM 718 N LYS A 45 -4.642 -4.524 -8.919 1.00 0.00 N ATOM 719 CA LYS A 45 -5.474 -5.259 -9.860 1.00 0.00 C ATOM 720 C LYS A 45 -6.828 -5.605 -9.230 1.00 0.00 C ATOM 721 O LYS A 45 -7.069 -5.287 -8.064 1.00 0.00 O ATOM 722 CB LYS A 45 -4.748 -6.549 -10.263 1.00 0.00 C ATOM 723 CG LYS A 45 -4.665 -7.560 -9.099 1.00 0.00 C ATOM 724 CD LYS A 45 -5.062 -8.953 -9.573 1.00 0.00 C ATOM 725 CE LYS A 45 -4.018 -9.553 -10.521 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.474 -10.840 -11.071 1.00 0.00 N ATOM 0 H LYS A 45 -4.925 -4.660 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.653 -4.639 -10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.267 -7.008 -11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.741 -6.306 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.651 -7.581 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.321 -7.245 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.188 -9.608 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.026 -8.903 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.820 -8.856 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.078 -9.695 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.747 -11.222 -11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.640 -11.511 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.358 -10.698 -11.600 1.00 0.00 H new ATOM 740 N THR A 46 -7.655 -6.350 -9.973 1.00 0.00 N ATOM 741 CA THR A 46 -8.868 -6.998 -9.497 1.00 0.00 C ATOM 742 C THR A 46 -8.710 -8.523 -9.598 1.00 0.00 C ATOM 743 O THR A 46 -8.358 -9.033 -10.660 1.00 0.00 O ATOM 744 CB THR A 46 -10.069 -6.461 -10.286 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.270 -6.982 -9.750 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.010 -6.750 -11.794 1.00 0.00 C ATOM 0 H THR A 46 -7.484 -6.521 -10.964 1.00 0.00 H new ATOM 0 HA THR A 46 -9.046 -6.770 -8.446 1.00 0.00 H new ATOM 0 HB THR A 46 -10.036 -5.377 -10.181 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.117 -7.273 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.895 -6.338 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.117 -6.290 -12.218 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.976 -7.827 -11.957 1.00 0.00 H new ATOM 754 N ILE A 47 -8.916 -9.249 -8.494 1.00 0.00 N ATOM 755 CA ILE A 47 -8.789 -10.698 -8.423 1.00 0.00 C ATOM 756 C ILE A 47 -10.157 -11.380 -8.522 1.00 0.00 C ATOM 757 O ILE A 47 -11.171 -10.863 -8.050 1.00 0.00 O ATOM 758 CB ILE A 47 -7.999 -11.098 -7.171 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.847 -12.630 -7.117 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.642 -10.512 -5.911 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.746 -13.070 -6.144 1.00 0.00 C ATOM 0 H ILE A 47 -9.183 -8.828 -7.604 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.220 -11.051 -9.283 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.995 -10.677 -7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.795 -13.077 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.619 -13.006 -8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.064 -10.809 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.658 -9.424 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.662 -10.885 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.677 -14.158 -6.141 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.792 -12.647 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.986 -12.719 -5.140 1.00 0.00 H new ATOM 773 N TYR A 48 -10.160 -12.560 -9.146 1.00 0.00 N ATOM 774 CA TYR A 48 -11.321 -13.346 -9.520 1.00 0.00 C ATOM 775 C TYR A 48 -11.114 -14.800 -9.090 1.00 0.00 C ATOM 776 O TYR A 48 -10.042 -15.189 -8.630 1.00 0.00 O ATOM 777 CB TYR A 48 -11.473 -13.329 -11.049 1.00 0.00 C ATOM 778 CG TYR A 48 -12.311 -12.237 -11.666 1.00 0.00 C ATOM 779 CD1 TYR A 48 -11.805 -10.937 -11.714 1.00 0.00 C ATOM 780 CD2 TYR A 48 -13.473 -12.566 -12.389 1.00 0.00 C ATOM 781 CE1 TYR A 48 -12.508 -9.929 -12.398 1.00 0.00 C ATOM 782 CE2 TYR A 48 -14.142 -11.577 -13.128 1.00 0.00 C ATOM 783 CZ TYR A 48 -13.675 -10.255 -13.114 1.00 0.00 C ATOM 784 OH TYR A 48 -14.408 -9.287 -13.728 1.00 0.00 O ATOM 0 H TYR A 48 -9.289 -13.016 -9.418 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.204 -12.926 -9.038 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.475 -13.269 -11.483 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.896 -14.286 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.871 -10.704 -11.224 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.850 -13.578 -12.375 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.154 -8.909 -12.374 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -15.016 -11.835 -13.707 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.890 -8.456 -13.761 1.00 0.00 H new ATOM 794 N GLU A 49 -12.146 -15.601 -9.347 1.00 0.00 N ATOM 795 CA GLU A 49 -12.199 -17.045 -9.260 1.00 0.00 C ATOM 796 C GLU A 49 -11.949 -17.585 -10.667 1.00 0.00 C ATOM 797 O GLU A 49 -12.834 -18.125 -11.325 1.00 0.00 O ATOM 798 CB GLU A 49 -13.573 -17.406 -8.678 1.00 0.00 C ATOM 799 CG GLU A 49 -13.630 -16.822 -7.247 1.00 0.00 C ATOM 800 CD GLU A 49 -14.105 -17.780 -6.157 1.00 0.00 C ATOM 801 OE1 GLU A 49 -14.050 -19.008 -6.380 1.00 0.00 O ATOM 802 OE2 GLU A 49 -14.483 -17.254 -5.086 1.00 0.00 O ATOM 0 H GLU A 49 -13.041 -15.215 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.446 -17.488 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.372 -16.994 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.711 -18.487 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.636 -16.464 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.290 -15.955 -7.255 1.00 0.00 H new ATOM 809 N ASN A 50 -10.724 -17.355 -11.142 1.00 0.00 N ATOM 810 CA ASN A 50 -10.247 -17.858 -12.429 1.00 0.00 C ATOM 811 C ASN A 50 -10.369 -19.386 -12.453 1.00 0.00 C ATOM 812 O ASN A 50 -9.739 -20.046 -11.631 1.00 0.00 O ATOM 813 CB ASN A 50 -8.794 -17.410 -12.674 1.00 0.00 C ATOM 814 CG ASN A 50 -8.506 -17.224 -14.163 1.00 0.00 C ATOM 815 OD1 ASN A 50 -9.181 -16.449 -14.830 1.00 0.00 O ATOM 816 ND2 ASN A 50 -7.497 -17.901 -14.706 1.00 0.00 N ATOM 0 H ASN A 50 -10.027 -16.807 -10.637 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.859 -17.446 -13.232 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.607 -16.474 -12.147 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.110 -18.151 -12.260 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.274 -17.779 -15.694 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.947 -18.542 -14.134 1.00 0.00 H new ATOM 823 N GLU A 51 -11.170 -19.926 -13.382 1.00 0.00 N ATOM 824 CA GLU A 51 -11.614 -21.320 -13.430 1.00 0.00 C ATOM 825 C GLU A 51 -12.767 -21.499 -12.433 1.00 0.00 C ATOM 826 O GLU A 51 -12.590 -21.301 -11.235 1.00 0.00 O ATOM 827 CB GLU A 51 -10.464 -22.323 -13.198 1.00 0.00 C ATOM 828 CG GLU A 51 -10.727 -23.716 -13.795 1.00 0.00 C ATOM 829 CD GLU A 51 -11.896 -24.445 -13.136 1.00 0.00 C ATOM 830 OE1 GLU A 51 -11.718 -24.878 -11.977 1.00 0.00 O ATOM 831 OE2 GLU A 51 -12.948 -24.546 -13.803 1.00 0.00 O ATOM 0 H GLU A 51 -11.542 -19.374 -14.155 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.972 -21.544 -14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.549 -21.919 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.292 -22.423 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.926 -23.615 -14.862 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.827 -24.322 -13.695 1.00 0.00 H new ATOM 838 N GLY A 52 -13.946 -21.884 -12.932 1.00 0.00 N ATOM 839 CA GLY A 52 -15.129 -22.097 -12.118 1.00 0.00 C ATOM 840 C GLY A 52 -15.866 -20.779 -11.880 1.00 0.00 C ATOM 841 O GLY A 52 -15.587 -20.073 -10.915 1.00 0.00 O ATOM 0 H GLY A 52 -14.099 -22.056 -13.926 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.793 -22.807 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.845 -22.538 -11.163 1.00 0.00 H new ATOM 845 N PHE A 53 -16.806 -20.462 -12.779 1.00 0.00 N ATOM 846 CA PHE A 53 -17.651 -19.277 -12.762 1.00 0.00 C ATOM 847 C PHE A 53 -18.070 -18.886 -11.339 1.00 0.00 C ATOM 848 O PHE A 53 -18.665 -19.673 -10.608 1.00 0.00 O ATOM 849 CB PHE A 53 -18.866 -19.473 -13.688 1.00 0.00 C ATOM 850 CG PHE A 53 -19.874 -20.521 -13.242 1.00 0.00 C ATOM 851 CD1 PHE A 53 -19.652 -21.887 -13.502 1.00 0.00 C ATOM 852 CD2 PHE A 53 -21.011 -20.130 -12.508 1.00 0.00 C ATOM 853 CE1 PHE A 53 -20.532 -22.856 -12.989 1.00 0.00 C ATOM 854 CE2 PHE A 53 -21.895 -21.098 -12.001 1.00 0.00 C ATOM 855 CZ PHE A 53 -21.651 -22.463 -12.233 1.00 0.00 C ATOM 0 H PHE A 53 -17.003 -21.063 -13.579 1.00 0.00 H new ATOM 0 HA PHE A 53 -17.065 -18.441 -13.145 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -19.382 -18.518 -13.786 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -18.504 -19.743 -14.680 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -18.804 -22.191 -14.097 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -21.204 -19.082 -12.334 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.348 -23.904 -13.176 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.762 -20.793 -11.433 1.00 0.00 H new ATOM 0 HZ PHE A 53 -22.322 -23.208 -11.831 1.00 0.00 H new ATOM 865 N ARG A 54 -17.739 -17.655 -10.959 1.00 0.00 N ATOM 866 CA ARG A 54 -18.040 -17.067 -9.662 1.00 0.00 C ATOM 867 C ARG A 54 -18.081 -15.549 -9.821 1.00 0.00 C ATOM 868 O ARG A 54 -17.837 -15.031 -10.912 1.00 0.00 O ATOM 869 CB ARG A 54 -16.934 -17.431 -8.658 1.00 0.00 C ATOM 870 CG ARG A 54 -17.505 -17.911 -7.323 1.00 0.00 C ATOM 871 CD ARG A 54 -17.501 -19.442 -7.330 1.00 0.00 C ATOM 872 NE ARG A 54 -18.187 -20.004 -6.164 1.00 0.00 N ATOM 873 CZ ARG A 54 -18.301 -21.322 -5.942 1.00 0.00 C ATOM 874 NH1 ARG A 54 -17.708 -22.197 -6.764 1.00 0.00 N ATOM 875 NH2 ARG A 54 -19.015 -21.756 -4.900 1.00 0.00 N ATOM 0 H ARG A 54 -17.233 -17.016 -11.573 1.00 0.00 H new ATOM 0 HA ARG A 54 -18.996 -17.443 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -16.302 -18.211 -9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.298 -16.562 -8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.907 -17.532 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -18.518 -17.533 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.982 -19.800 -8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.472 -19.801 -7.351 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.598 -19.361 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.168 -21.862 -7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.797 -23.199 -6.592 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.469 -21.087 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.106 -22.757 -4.725 1.00 0.00 H new ATOM 889 N GLU A 55 -18.328 -14.846 -8.713 1.00 0.00 N ATOM 890 CA GLU A 55 -18.220 -13.400 -8.642 1.00 0.00 C ATOM 891 C GLU A 55 -16.740 -12.994 -8.516 1.00 0.00 C ATOM 892 O GLU A 55 -15.868 -13.840 -8.316 1.00 0.00 O ATOM 893 CB GLU A 55 -19.077 -12.892 -7.472 1.00 0.00 C ATOM 894 CG GLU A 55 -19.786 -11.562 -7.780 1.00 0.00 C ATOM 895 CD GLU A 55 -20.983 -11.690 -8.725 1.00 0.00 C ATOM 896 OE1 GLU A 55 -21.086 -12.728 -9.413 1.00 0.00 O ATOM 897 OE2 GLU A 55 -21.785 -10.732 -8.737 1.00 0.00 O ATOM 0 H GLU A 55 -18.612 -15.277 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.598 -12.939 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.823 -13.646 -7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.444 -12.765 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -20.123 -11.118 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -19.065 -10.872 -8.218 1.00 0.00 H new ATOM 904 N ILE A 56 -16.457 -11.691 -8.608 1.00 0.00 N ATOM 905 CA ILE A 56 -15.132 -11.143 -8.357 1.00 0.00 C ATOM 906 C ILE A 56 -14.759 -11.352 -6.890 1.00 0.00 C ATOM 907 O ILE A 56 -15.622 -11.282 -6.016 1.00 0.00 O ATOM 908 CB ILE A 56 -15.103 -9.658 -8.779 1.00 0.00 C ATOM 909 CG1 ILE A 56 -15.238 -9.528 -10.304 1.00 0.00 C ATOM 910 CG2 ILE A 56 -13.837 -8.909 -8.342 1.00 0.00 C ATOM 911 CD1 ILE A 56 -16.631 -9.076 -10.742 1.00 0.00 C ATOM 0 H ILE A 56 -17.150 -10.987 -8.861 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.382 -11.663 -8.953 1.00 0.00 H new ATOM 0 HB ILE A 56 -15.949 -9.200 -8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.499 -8.815 -10.670 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -15.011 -10.488 -10.767 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.893 -7.873 -8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.755 -8.936 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.962 -9.385 -8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.665 -9.002 -11.829 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.372 -9.801 -10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -16.851 -8.102 -10.305 1.00 0.00 H new ATOM 923 N LYS A 57 -13.477 -11.626 -6.627 1.00 0.00 N ATOM 924 CA LYS A 57 -12.990 -11.891 -5.286 1.00 0.00 C ATOM 925 C LYS A 57 -12.675 -10.563 -4.593 1.00 0.00 C ATOM 926 O LYS A 57 -13.022 -10.375 -3.427 1.00 0.00 O ATOM 927 CB LYS A 57 -11.820 -12.887 -5.343 1.00 0.00 C ATOM 928 CG LYS A 57 -11.555 -13.527 -3.970 1.00 0.00 C ATOM 929 CD LYS A 57 -11.339 -15.047 -4.084 1.00 0.00 C ATOM 930 CE LYS A 57 -11.761 -15.773 -2.802 1.00 0.00 C ATOM 931 NZ LYS A 57 -13.229 -15.781 -2.648 1.00 0.00 N ATOM 0 H LYS A 57 -12.754 -11.668 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.750 -12.376 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.040 -13.667 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.921 -12.374 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.676 -13.067 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.397 -13.327 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.911 -15.434 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.288 -15.252 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.390 -16.798 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.305 -15.287 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.495 -16.444 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.557 -14.825 -2.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.670 -16.079 -3.541 1.00 0.00 H new ATOM 945 N GLY A 58 -12.090 -9.608 -5.326 1.00 0.00 N ATOM 946 CA GLY A 58 -11.958 -8.239 -4.846 1.00 0.00 C ATOM 947 C GLY A 58 -10.876 -7.474 -5.582 1.00 0.00 C ATOM 948 O GLY A 58 -10.463 -7.863 -6.673 1.00 0.00 O ATOM 0 H GLY A 58 -11.701 -9.765 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.910 -7.722 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.731 -8.250 -3.780 1.00 0.00 H new ATOM 952 N TYR A 59 -10.431 -6.374 -4.976 1.00 0.00 N ATOM 953 CA TYR A 59 -9.229 -5.677 -5.403 1.00 0.00 C ATOM 954 C TYR A 59 -8.038 -6.331 -4.727 1.00 0.00 C ATOM 955 O TYR A 59 -8.180 -6.871 -3.631 1.00 0.00 O ATOM 956 CB TYR A 59 -9.309 -4.178 -5.071 1.00 0.00 C ATOM 957 CG TYR A 59 -10.281 -3.447 -5.973 1.00 0.00 C ATOM 958 CD1 TYR A 59 -10.022 -3.419 -7.352 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.503 -2.951 -5.485 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.955 -2.872 -8.245 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.452 -2.422 -6.382 1.00 0.00 C ATOM 962 CZ TYR A 59 -12.175 -2.381 -7.760 1.00 0.00 C ATOM 963 OH TYR A 59 -13.089 -1.881 -8.638 1.00 0.00 O ATOM 0 H TYR A 59 -10.897 -5.945 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.122 -5.750 -6.485 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.614 -4.053 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.319 -3.732 -5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.094 -3.823 -7.730 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.713 -2.975 -4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.734 -2.829 -9.301 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.394 -2.047 -6.010 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.883 -1.581 -8.148 1.00 0.00 H new ATOM 973 N GLU A 60 -6.876 -6.292 -5.379 1.00 0.00 N ATOM 974 CA GLU A 60 -5.615 -6.613 -4.754 1.00 0.00 C ATOM 975 C GLU A 60 -4.660 -5.477 -5.077 1.00 0.00 C ATOM 976 O GLU A 60 -4.626 -5.005 -6.209 1.00 0.00 O ATOM 977 CB GLU A 60 -5.045 -7.938 -5.267 1.00 0.00 C ATOM 978 CG GLU A 60 -5.069 -8.997 -4.159 1.00 0.00 C ATOM 979 CD GLU A 60 -4.362 -10.290 -4.549 1.00 0.00 C ATOM 980 OE1 GLU A 60 -3.383 -10.209 -5.322 1.00 0.00 O ATOM 981 OE2 GLU A 60 -4.815 -11.340 -4.045 1.00 0.00 O ATOM 0 H GLU A 60 -6.794 -6.034 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.755 -6.728 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.626 -8.284 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.023 -7.790 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.598 -8.589 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.104 -9.220 -3.901 1.00 0.00 H new ATOM 988 N TYR A 61 -3.866 -5.080 -4.095 1.00 0.00 N ATOM 989 CA TYR A 61 -2.729 -4.199 -4.269 1.00 0.00 C ATOM 990 C TYR A 61 -1.518 -5.102 -4.172 1.00 0.00 C ATOM 991 O TYR A 61 -1.446 -5.858 -3.207 1.00 0.00 O ATOM 992 CB TYR A 61 -2.712 -3.147 -3.159 1.00 0.00 C ATOM 993 CG TYR A 61 -3.996 -2.354 -3.102 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.282 -1.422 -4.108 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.974 -2.657 -2.145 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.555 -0.839 -4.196 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.207 -1.992 -2.181 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.522 -1.118 -3.230 1.00 0.00 C ATOM 999 OH TYR A 61 -7.759 -0.557 -3.342 1.00 0.00 O ATOM 0 H TYR A 61 -4.002 -5.372 -3.127 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.756 -3.661 -5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.547 -3.637 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.875 -2.468 -3.318 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.517 -1.150 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.779 -3.398 -1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.787 -0.173 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.924 -2.155 -1.390 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.433 -1.182 -3.002 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.606 -5.055 -5.147 1.00 0.00 N ATOM 1010 CA GLN A 62 0.690 -5.696 -5.044 1.00 0.00 C ATOM 1011 C GLN A 62 1.682 -4.572 -4.786 1.00 0.00 C ATOM 1012 O GLN A 62 1.718 -3.597 -5.540 1.00 0.00 O ATOM 1013 CB GLN A 62 0.979 -6.470 -6.336 1.00 0.00 C ATOM 1014 CG GLN A 62 2.371 -7.119 -6.363 1.00 0.00 C ATOM 1015 CD GLN A 62 3.447 -6.137 -6.820 1.00 0.00 C ATOM 1016 OE1 GLN A 62 4.246 -5.667 -6.019 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.465 -5.807 -8.108 1.00 0.00 N ATOM 0 H GLN A 62 -0.755 -4.567 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 62 0.748 -6.428 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.223 -7.245 -6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.886 -5.792 -7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.618 -7.491 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.357 -7.980 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.785 -6.217 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.158 -5.144 -8.455 1.00 0.00 H new ATOM 1026 N LEU A 63 2.458 -4.681 -3.709 1.00 0.00 N ATOM 1027 CA LEU A 63 3.448 -3.676 -3.396 1.00 0.00 C ATOM 1028 C LEU A 63 4.710 -4.301 -2.831 1.00 0.00 C ATOM 1029 O LEU A 63 4.749 -5.451 -2.386 1.00 0.00 O ATOM 1030 CB LEU A 63 2.842 -2.567 -2.529 1.00 0.00 C ATOM 1031 CG LEU A 63 2.201 -3.045 -1.217 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.194 -2.994 -0.051 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.994 -2.164 -0.904 1.00 0.00 C ATOM 0 H LEU A 63 2.414 -5.455 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 63 3.766 -3.186 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.623 -1.844 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.087 -2.041 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 63 1.892 -4.083 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.704 -3.339 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.046 -3.637 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.539 -1.969 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.533 -2.496 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.317 -1.128 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.270 -2.238 -1.715 1.00 0.00 H new ATOM 1045 N TYR A 64 5.765 -3.501 -2.900 1.00 0.00 N ATOM 1046 CA TYR A 64 7.122 -3.930 -2.688 1.00 0.00 C ATOM 1047 C TYR A 64 7.720 -3.135 -1.533 1.00 0.00 C ATOM 1048 O TYR A 64 8.407 -2.127 -1.708 1.00 0.00 O ATOM 1049 CB TYR A 64 7.837 -3.786 -4.032 1.00 0.00 C ATOM 1050 CG TYR A 64 7.805 -5.052 -4.877 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.232 -6.276 -4.323 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.265 -5.036 -6.177 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.050 -7.477 -5.027 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.124 -6.236 -6.899 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.471 -7.459 -6.305 1.00 0.00 C ATOM 1056 OH TYR A 64 7.244 -8.627 -6.971 1.00 0.00 O ATOM 0 H TYR A 64 5.687 -2.506 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 64 7.217 -4.972 -2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.377 -2.973 -4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.875 -3.504 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.702 -6.290 -3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.958 -4.101 -6.621 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.355 -8.414 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.748 -6.215 -7.911 1.00 0.00 H new ATOM 0 HH TYR A 64 6.837 -8.434 -7.841 1.00 0.00 H new ATOM 1066 N VAL A 65 7.423 -3.612 -0.326 1.00 0.00 N ATOM 1067 CA VAL A 65 7.952 -3.056 0.897 1.00 0.00 C ATOM 1068 C VAL A 65 9.363 -3.612 1.111 1.00 0.00 C ATOM 1069 O VAL A 65 9.560 -4.825 1.190 1.00 0.00 O ATOM 1070 CB VAL A 65 6.966 -3.289 2.049 1.00 0.00 C ATOM 1071 CG1 VAL A 65 6.647 -4.767 2.305 1.00 0.00 C ATOM 1072 CG2 VAL A 65 7.443 -2.571 3.316 1.00 0.00 C ATOM 0 H VAL A 65 6.800 -4.406 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 65 8.058 -1.972 0.845 1.00 0.00 H new ATOM 0 HB VAL A 65 6.016 -2.852 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.944 -4.849 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.205 -5.204 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.565 -5.300 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.732 -2.747 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.422 -2.954 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.515 -1.501 3.122 1.00 0.00 H new ATOM 1082 N TYR A 66 10.357 -2.724 1.156 1.00 0.00 N ATOM 1083 CA TYR A 66 11.712 -3.110 1.492 1.00 0.00 C ATOM 1084 C TYR A 66 11.720 -3.367 2.990 1.00 0.00 C ATOM 1085 O TYR A 66 11.141 -2.598 3.760 1.00 0.00 O ATOM 1086 CB TYR A 66 12.704 -2.002 1.102 1.00 0.00 C ATOM 1087 CG TYR A 66 14.177 -2.381 1.124 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.622 -3.431 0.308 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.128 -1.554 1.753 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.990 -3.637 0.076 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.503 -1.756 1.524 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.930 -2.771 0.650 1.00 0.00 C ATOM 1093 OH TYR A 66 18.234 -2.868 0.280 1.00 0.00 O ATOM 0 H TYR A 66 10.240 -1.730 0.962 1.00 0.00 H new ATOM 0 HA TYR A 66 12.023 -4.002 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.454 -1.656 0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.557 -1.158 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.900 -4.092 -0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.802 -0.763 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.317 -4.460 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.230 -1.130 2.020 1.00 0.00 H new ATOM 0 HH TYR A 66 18.691 -3.513 0.859 1.00 0.00 H new ATOM 1103 N ALA A 67 12.339 -4.460 3.416 1.00 0.00 N ATOM 1104 CA ALA A 67 12.420 -4.784 4.827 1.00 0.00 C ATOM 1105 C ALA A 67 13.649 -5.649 5.051 1.00 0.00 C ATOM 1106 O ALA A 67 13.977 -6.468 4.191 1.00 0.00 O ATOM 1107 CB ALA A 67 11.134 -5.483 5.270 1.00 0.00 C ATOM 0 H ALA A 67 12.792 -5.136 2.801 1.00 0.00 H new ATOM 0 HA ALA A 67 12.519 -3.881 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.198 -5.725 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.284 -4.823 5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.002 -6.400 4.696 1.00 0.00 H new ATOM 1113 N SER A 68 14.338 -5.452 6.181 1.00 0.00 N ATOM 1114 CA SER A 68 15.646 -6.034 6.469 1.00 0.00 C ATOM 1115 C SER A 68 16.671 -5.593 5.420 1.00 0.00 C ATOM 1116 O SER A 68 17.483 -4.711 5.680 1.00 0.00 O ATOM 1117 CB SER A 68 15.589 -7.562 6.651 1.00 0.00 C ATOM 1118 OG SER A 68 15.570 -7.876 8.028 1.00 0.00 O ATOM 0 H SER A 68 13.988 -4.866 6.939 1.00 0.00 H new ATOM 0 HA SER A 68 15.978 -5.648 7.433 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.700 -7.963 6.164 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.451 -8.027 6.174 1.00 0.00 H new ATOM 0 HG SER A 68 15.532 -8.849 8.141 1.00 0.00 H new ATOM 1124 N ASP A 69 16.592 -6.186 4.226 1.00 0.00 N ATOM 1125 CA ASP A 69 17.343 -5.821 3.043 1.00 0.00 C ATOM 1126 C ASP A 69 16.791 -6.556 1.812 1.00 0.00 C ATOM 1127 O ASP A 69 17.547 -6.883 0.902 1.00 0.00 O ATOM 1128 CB ASP A 69 18.837 -6.123 3.254 1.00 0.00 C ATOM 1129 CG ASP A 69 19.721 -5.467 2.198 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.632 -4.225 2.082 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.488 -6.210 1.548 1.00 0.00 O ATOM 0 H ASP A 69 15.967 -6.974 4.060 1.00 0.00 H new ATOM 0 HA ASP A 69 17.236 -4.751 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.138 -5.776 4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.993 -7.202 3.234 1.00 0.00 H new ATOM 1136 N LYS A 70 15.481 -6.834 1.778 1.00 0.00 N ATOM 1137 CA LYS A 70 14.831 -7.539 0.680 1.00 0.00 C ATOM 1138 C LYS A 70 13.492 -6.886 0.358 1.00 0.00 C ATOM 1139 O LYS A 70 12.841 -6.306 1.231 1.00 0.00 O ATOM 1140 CB LYS A 70 14.611 -9.017 1.039 1.00 0.00 C ATOM 1141 CG LYS A 70 15.893 -9.854 0.913 1.00 0.00 C ATOM 1142 CD LYS A 70 16.254 -10.523 2.244 1.00 0.00 C ATOM 1143 CE LYS A 70 17.479 -11.435 2.094 1.00 0.00 C ATOM 1144 NZ LYS A 70 18.689 -10.679 1.723 1.00 0.00 N ATOM 0 H LYS A 70 14.840 -6.569 2.526 1.00 0.00 H new ATOM 0 HA LYS A 70 15.480 -7.483 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.235 -9.087 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.844 -9.435 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.758 -10.616 0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.716 -9.217 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.456 -9.759 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.406 -11.106 2.603 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.655 -11.963 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.277 -12.191 1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.514 -11.311 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.577 -10.293 0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.830 -9.898 2.396 1.00 0.00 H new ATOM 1158 N LEU A 71 13.088 -7.020 -0.907 1.00 0.00 N ATOM 1159 CA LEU A 71 11.767 -6.685 -1.405 1.00 0.00 C ATOM 1160 C LEU A 71 10.858 -7.840 -0.998 1.00 0.00 C ATOM 1161 O LEU A 71 10.513 -8.704 -1.797 1.00 0.00 O ATOM 1162 CB LEU A 71 11.831 -6.513 -2.935 1.00 0.00 C ATOM 1163 CG LEU A 71 12.174 -5.102 -3.451 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.019 -4.259 -2.510 1.00 0.00 C ATOM 1165 CD2 LEU A 71 12.938 -5.237 -4.762 1.00 0.00 C ATOM 0 H LEU A 71 13.703 -7.380 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 71 11.387 -5.749 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.572 -7.210 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.867 -6.805 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 71 11.219 -4.588 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.206 -3.285 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.489 -4.125 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.968 -4.761 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.188 -4.246 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.854 -5.803 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.319 -5.759 -5.492 1.00 0.00 H new ATOM 1177 N PHE A 72 10.471 -7.876 0.272 1.00 0.00 N ATOM 1178 CA PHE A 72 9.411 -8.776 0.691 1.00 0.00 C ATOM 1179 C PHE A 72 8.158 -8.375 -0.085 1.00 0.00 C ATOM 1180 O PHE A 72 7.628 -7.285 0.130 1.00 0.00 O ATOM 1181 CB PHE A 72 9.195 -8.651 2.198 1.00 0.00 C ATOM 1182 CG PHE A 72 10.247 -9.351 3.031 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.235 -10.748 3.184 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.226 -8.587 3.678 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.213 -11.376 3.976 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.202 -9.207 4.476 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.202 -10.606 4.616 1.00 0.00 C ATOM 0 H PHE A 72 10.869 -7.302 1.016 1.00 0.00 H new ATOM 0 HA PHE A 72 9.661 -9.817 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.178 -7.595 2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.216 -9.059 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.475 -11.339 2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.231 -7.513 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.205 -12.450 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.949 -8.612 4.980 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.960 -11.089 5.214 1.00 0.00 H new ATOM 1197 N ARG A 73 7.694 -9.228 -1.001 1.00 0.00 N ATOM 1198 CA ARG A 73 6.494 -8.931 -1.752 1.00 0.00 C ATOM 1199 C ARG A 73 5.355 -8.908 -0.743 1.00 0.00 C ATOM 1200 O ARG A 73 5.187 -9.870 0.003 1.00 0.00 O ATOM 1201 CB ARG A 73 6.243 -9.974 -2.848 1.00 0.00 C ATOM 1202 CG ARG A 73 5.088 -9.499 -3.741 1.00 0.00 C ATOM 1203 CD ARG A 73 4.658 -10.586 -4.737 1.00 0.00 C ATOM 1204 NE ARG A 73 3.252 -10.407 -5.130 1.00 0.00 N ATOM 1205 CZ ARG A 73 2.590 -11.154 -6.025 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.226 -12.099 -6.723 1.00 0.00 N ATOM 1207 NH2 ARG A 73 1.280 -10.953 -6.203 1.00 0.00 N ATOM 0 H ARG A 73 8.133 -10.119 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 73 6.585 -7.974 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.144 -10.117 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.000 -10.938 -2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.238 -9.218 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.393 -8.606 -4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.295 -10.548 -5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.793 -11.570 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 73 2.736 -9.649 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.223 -12.257 -6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.714 -12.663 -7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.795 -10.238 -5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.765 -11.515 -6.881 1.00 0.00 H new ATOM 1221 N ALA A 74 4.590 -7.824 -0.689 1.00 0.00 N ATOM 1222 CA ALA A 74 3.443 -7.749 0.186 1.00 0.00 C ATOM 1223 C ALA A 74 2.250 -7.376 -0.678 1.00 0.00 C ATOM 1224 O ALA A 74 2.331 -6.423 -1.450 1.00 0.00 O ATOM 1225 CB ALA A 74 3.723 -6.750 1.306 1.00 0.00 C ATOM 0 H ALA A 74 4.751 -6.985 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 74 3.228 -8.697 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.858 -6.693 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.594 -7.076 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.917 -5.767 0.877 1.00 0.00 H new ATOM 1231 N ASP A 75 1.157 -8.133 -0.589 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.070 -7.798 -1.284 1.00 0.00 C ATOM 1233 C ASP A 75 -1.107 -7.439 -0.231 1.00 0.00 C ATOM 1234 O ASP A 75 -0.935 -7.774 0.934 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.534 -8.971 -2.157 1.00 0.00 C ATOM 1236 CG ASP A 75 0.422 -9.253 -3.311 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.579 -9.623 -3.020 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.013 -9.109 -4.475 1.00 0.00 O ATOM 0 H ASP A 75 1.104 -8.988 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 75 0.083 -6.953 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.627 -9.865 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.525 -8.754 -2.555 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.189 -6.771 -0.616 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.352 -6.606 0.247 1.00 0.00 C ATOM 1245 C ILE A 76 -4.566 -6.824 -0.632 1.00 0.00 C ATOM 1246 O ILE A 76 -4.712 -6.133 -1.636 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.370 -5.222 0.919 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.351 -5.125 2.069 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.773 -4.841 1.426 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.586 -6.155 3.180 1.00 0.00 C ATOM 0 H ILE A 76 -2.284 -6.331 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.335 -7.323 1.068 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.083 -4.510 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.347 -5.258 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.392 -4.124 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.736 -3.857 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.469 -4.820 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.108 -5.577 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.832 -6.030 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.577 -6.008 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.516 -7.160 2.765 1.00 0.00 H new ATOM 1262 N SER A 77 -5.410 -7.785 -0.262 1.00 0.00 N ATOM 1263 CA SER A 77 -6.668 -8.049 -0.918 1.00 0.00 C ATOM 1264 C SER A 77 -7.745 -7.190 -0.268 1.00 0.00 C ATOM 1265 O SER A 77 -7.587 -6.792 0.885 1.00 0.00 O ATOM 1266 CB SER A 77 -6.995 -9.531 -0.757 1.00 0.00 C ATOM 1267 OG SER A 77 -5.925 -10.348 -1.197 1.00 0.00 O ATOM 0 H SER A 77 -5.224 -8.411 0.522 1.00 0.00 H new ATOM 0 HA SER A 77 -6.615 -7.808 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.212 -9.746 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.894 -9.770 -1.324 1.00 0.00 H new ATOM 0 HG SER A 77 -6.164 -11.291 -1.080 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.841 -6.937 -0.982 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.022 -6.275 -0.469 1.00 0.00 C ATOM 1275 C GLU A 78 -11.252 -7.157 -0.646 1.00 0.00 C ATOM 1276 O GLU A 78 -11.233 -8.107 -1.423 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.207 -4.933 -1.179 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.027 -3.998 -0.893 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.423 -2.539 -1.085 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -9.659 -2.164 -2.253 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.449 -1.807 -0.073 1.00 0.00 O ATOM 0 H GLU A 78 -8.926 -7.199 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.894 -6.094 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.297 -5.094 -2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.135 -4.466 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.677 -4.151 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.197 -4.243 -1.555 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.323 -6.826 0.077 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.590 -7.541 0.018 1.00 0.00 C ATOM 1290 C ASP A 79 -14.469 -6.952 -1.084 1.00 0.00 C ATOM 1291 O ASP A 79 -15.100 -5.925 -0.841 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.300 -7.425 1.376 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.702 -8.031 1.352 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -15.921 -8.958 0.542 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.539 -7.535 2.137 1.00 0.00 O ATOM 0 H ASP A 79 -12.330 -6.041 0.728 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.406 -8.592 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.704 -7.925 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.366 -6.375 1.660 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.540 -7.607 -2.252 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.383 -7.217 -3.387 1.00 0.00 C ATOM 1302 C TYR A 80 -16.747 -6.633 -2.999 1.00 0.00 C ATOM 1303 O TYR A 80 -17.162 -5.624 -3.562 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.625 -8.422 -4.306 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.464 -8.100 -5.527 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.049 -7.095 -6.421 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.707 -8.732 -5.716 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -16.872 -6.722 -7.498 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -18.534 -8.351 -6.786 1.00 0.00 C ATOM 1310 CZ TYR A 80 -18.117 -7.351 -7.677 1.00 0.00 C ATOM 1311 OH TYR A 80 -18.904 -7.028 -8.741 1.00 0.00 O ATOM 0 H TYR A 80 -13.994 -8.449 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.826 -6.427 -3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.663 -8.818 -4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.117 -9.209 -3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -15.095 -6.609 -6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.025 -9.510 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -16.549 -5.955 -8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.493 -8.829 -6.923 1.00 0.00 H new ATOM 0 HH TYR A 80 -19.728 -7.558 -8.711 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.456 -7.294 -2.074 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.777 -6.877 -1.610 1.00 0.00 C ATOM 1323 C LYS A 81 -18.787 -5.395 -1.233 1.00 0.00 C ATOM 1324 O LYS A 81 -19.795 -4.709 -1.398 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.206 -7.797 -0.453 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.416 -7.297 0.351 1.00 0.00 C ATOM 1327 CD LYS A 81 -19.944 -6.529 1.597 1.00 0.00 C ATOM 1328 CE LYS A 81 -21.095 -5.757 2.250 1.00 0.00 C ATOM 1329 NZ LYS A 81 -20.589 -4.823 3.270 1.00 0.00 N ATOM 0 H LYS A 81 -17.119 -8.145 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.507 -6.978 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.438 -8.782 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.362 -7.922 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.034 -6.650 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.038 -8.141 0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.519 -7.228 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -19.151 -5.835 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.647 -5.206 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.795 -6.457 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.389 -4.412 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -19.970 -5.334 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -20.050 -4.063 2.808 1.00 0.00 H new ATOM 1343 N THR A 82 -17.681 -4.894 -0.689 1.00 0.00 N ATOM 1344 CA THR A 82 -17.492 -3.472 -0.494 1.00 0.00 C ATOM 1345 C THR A 82 -16.056 -3.070 -0.854 1.00 0.00 C ATOM 1346 O THR A 82 -15.758 -2.817 -2.018 1.00 0.00 O ATOM 1347 CB THR A 82 -17.960 -3.143 0.929 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.355 -3.340 1.008 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.683 -1.699 1.310 1.00 0.00 C ATOM 0 H THR A 82 -16.897 -5.466 -0.374 1.00 0.00 H new ATOM 0 HA THR A 82 -18.095 -2.863 -1.167 1.00 0.00 H new ATOM 0 HB THR A 82 -17.412 -3.796 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.685 -3.688 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.033 -1.517 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.611 -1.508 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.206 -1.034 0.622 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.179 -2.965 0.144 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.830 -2.430 0.015 1.00 0.00 C ATOM 1359 C ARG A 83 -13.144 -2.616 1.370 1.00 0.00 C ATOM 1360 O ARG A 83 -12.528 -1.711 1.927 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.847 -0.971 -0.491 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.008 -0.823 -1.768 1.00 0.00 C ATOM 1363 CD ARG A 83 -12.944 0.635 -2.241 1.00 0.00 C ATOM 1364 NE ARG A 83 -14.273 1.170 -2.574 1.00 0.00 N ATOM 1365 CZ ARG A 83 -14.951 0.917 -3.703 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -14.435 0.114 -4.639 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -16.152 1.474 -3.891 1.00 0.00 N ATOM 0 H ARG A 83 -15.399 -3.261 1.095 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.257 -2.965 -0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.874 -0.662 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.458 -0.309 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.998 -1.190 -1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.434 -1.443 -2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.492 1.249 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.297 0.703 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.715 1.784 -1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.519 -0.312 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.957 -0.073 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.547 2.087 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.673 1.286 -4.747 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.300 -3.823 1.923 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.588 -4.230 3.120 1.00 0.00 C ATOM 1383 C GLY A 84 -11.106 -4.393 2.794 1.00 0.00 C ATOM 1384 O GLY A 84 -10.695 -4.125 1.670 1.00 0.00 O ATOM 0 H GLY A 84 -13.924 -4.538 1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.720 -3.486 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.995 -5.168 3.498 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.312 -4.883 3.742 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.905 -5.191 3.552 1.00 0.00 C ATOM 1390 C ARG A 85 -8.612 -6.536 4.203 1.00 0.00 C ATOM 1391 O ARG A 85 -9.166 -6.832 5.262 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.982 -4.089 4.101 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.610 -3.017 5.006 1.00 0.00 C ATOM 1394 CD ARG A 85 -8.987 -3.506 6.417 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.373 -3.986 6.531 1.00 0.00 N ATOM 1396 CZ ARG A 85 -11.464 -3.206 6.490 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -11.350 -1.893 6.268 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.674 -3.748 6.669 1.00 0.00 N ATOM 0 H ARG A 85 -10.642 -5.081 4.687 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.699 -5.243 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.179 -4.571 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.521 -3.584 3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.912 -2.185 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.505 -2.629 4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.310 -4.310 6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.835 -2.692 7.126 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.516 -4.989 6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.429 -1.477 6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.184 -1.307 6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.764 -4.750 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.506 -3.159 6.639 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.751 -7.341 3.572 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.273 -8.602 4.104 1.00 0.00 C ATOM 1414 C LYS A 86 -5.759 -8.694 3.977 1.00 0.00 C ATOM 1415 O LYS A 86 -5.173 -8.307 2.963 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.957 -9.791 3.422 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.231 -10.244 4.144 1.00 0.00 C ATOM 1418 CD LYS A 86 -8.976 -11.044 5.437 1.00 0.00 C ATOM 1419 CE LYS A 86 -8.706 -10.194 6.692 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.104 -10.917 7.913 1.00 0.00 N ATOM 0 H LYS A 86 -7.363 -7.120 2.655 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.531 -8.641 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.204 -9.521 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.258 -10.626 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.830 -9.366 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.823 -10.855 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.840 -11.680 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.124 -11.704 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.647 -9.941 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.256 -9.255 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.912 -10.324 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.120 -11.137 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.561 -11.801 7.985 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.147 -9.212 5.044 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.715 -9.331 5.195 1.00 0.00 C ATOM 1436 C LEU A 87 -3.226 -10.420 4.238 1.00 0.00 C ATOM 1437 O LEU A 87 -3.260 -11.605 4.559 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.441 -9.642 6.678 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.013 -9.342 7.156 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.974 -9.435 8.686 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -0.981 -10.321 6.590 1.00 0.00 C ATOM 0 H LEU A 87 -5.662 -9.569 5.848 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.174 -8.420 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.139 -9.069 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.653 -10.696 6.857 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.756 -8.343 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.964 -9.224 9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.666 -8.709 9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.264 -10.439 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.010 -10.060 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.231 -11.335 6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.986 -10.266 5.501 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.729 -9.988 3.079 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.057 -10.805 2.074 1.00 0.00 C ATOM 1455 C LEU A 88 -0.581 -10.380 1.974 1.00 0.00 C ATOM 1456 O LEU A 88 0.121 -10.716 1.020 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.825 -10.675 0.743 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.122 -11.999 0.020 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -1.852 -12.757 -0.376 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.061 -12.898 0.836 1.00 0.00 C ATOM 0 H LEU A 88 -2.788 -9.008 2.804 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.057 -11.860 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.770 -10.167 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.250 -10.036 0.073 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.633 -11.726 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.124 -13.683 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.254 -12.139 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.273 -12.989 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.245 -13.823 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.600 -13.129 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.006 -12.381 1.003 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.128 -9.566 2.935 1.00 0.00 N ATOM 1473 CA ARG A 89 1.207 -9.009 2.954 1.00 0.00 C ATOM 1474 C ARG A 89 2.224 -10.030 3.447 1.00 0.00 C ATOM 1475 O ARG A 89 1.864 -11.075 3.982 1.00 0.00 O ATOM 1476 CB ARG A 89 1.263 -7.672 3.712 1.00 0.00 C ATOM 1477 CG ARG A 89 0.482 -7.558 5.018 1.00 0.00 C ATOM 1478 CD ARG A 89 0.702 -6.173 5.646 1.00 0.00 C ATOM 1479 NE ARG A 89 0.238 -5.050 4.799 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.935 -4.395 3.856 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.207 -4.710 3.591 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.357 -3.389 3.193 1.00 0.00 N ATOM 0 H ARG A 89 -0.698 -9.278 3.730 1.00 0.00 H new ATOM 0 HA ARG A 89 1.486 -8.771 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.309 -7.454 3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.906 -6.891 3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.580 -7.716 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.803 -8.335 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.182 -6.132 6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.764 -6.044 5.854 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.721 -4.738 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.665 -5.460 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.719 -4.201 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.605 -3.125 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.878 -2.885 2.475 1.00 0.00 H new ATOM 1496 N PHE A 90 3.502 -9.684 3.281 1.00 0.00 N ATOM 1497 CA PHE A 90 4.639 -10.455 3.760 1.00 0.00 C ATOM 1498 C PHE A 90 4.700 -11.839 3.099 1.00 0.00 C ATOM 1499 O PHE A 90 4.344 -12.849 3.698 1.00 0.00 O ATOM 1500 CB PHE A 90 4.600 -10.512 5.292 1.00 0.00 C ATOM 1501 CG PHE A 90 5.580 -9.588 5.971 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.872 -10.049 6.278 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.161 -8.318 6.404 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.743 -9.240 7.020 1.00 0.00 C ATOM 1505 CE2 PHE A 90 5.997 -7.552 7.231 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.307 -7.990 7.490 1.00 0.00 C ATOM 0 H PHE A 90 3.777 -8.832 2.793 1.00 0.00 H new ATOM 0 HA PHE A 90 5.566 -9.961 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.593 -10.265 5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.801 -11.535 5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.193 -11.024 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.199 -7.933 6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.747 -9.577 7.230 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.636 -6.632 7.666 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.982 -7.362 8.053 1.00 0.00 H new ATOM 1516 N ASN A 91 5.181 -11.880 1.856 1.00 0.00 N ATOM 1517 CA ASN A 91 5.277 -13.085 1.046 1.00 0.00 C ATOM 1518 C ASN A 91 6.540 -13.013 0.175 1.00 0.00 C ATOM 1519 O ASN A 91 7.252 -12.006 0.175 1.00 0.00 O ATOM 1520 CB ASN A 91 3.990 -13.202 0.217 1.00 0.00 C ATOM 1521 CG ASN A 91 3.767 -14.574 -0.413 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.529 -15.511 -0.193 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.714 -14.709 -1.211 1.00 0.00 N ATOM 0 H ASN A 91 5.524 -11.048 1.375 1.00 0.00 H new ATOM 0 HA ASN A 91 5.369 -13.979 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.139 -12.966 0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.012 -12.452 -0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.524 -15.606 -1.657 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.096 -13.915 -1.378 1.00 0.00 H new ATOM 1530 N GLY A 92 6.840 -14.089 -0.553 1.00 0.00 N ATOM 1531 CA GLY A 92 8.039 -14.232 -1.361 1.00 0.00 C ATOM 1532 C GLY A 92 9.066 -15.039 -0.566 1.00 0.00 C ATOM 1533 O GLY A 92 8.805 -16.211 -0.300 1.00 0.00 O ATOM 0 H GLY A 92 6.233 -14.907 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.806 -14.735 -2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.443 -13.252 -1.617 1.00 0.00 H new ATOM 1537 N PRO A 93 10.205 -14.461 -0.146 1.00 0.00 N ATOM 1538 CA PRO A 93 10.651 -13.099 -0.412 1.00 0.00 C ATOM 1539 C PRO A 93 11.001 -12.923 -1.893 1.00 0.00 C ATOM 1540 O PRO A 93 11.179 -13.910 -2.603 1.00 0.00 O ATOM 1541 CB PRO A 93 11.895 -12.917 0.465 1.00 0.00 C ATOM 1542 CG PRO A 93 12.469 -14.331 0.557 1.00 0.00 C ATOM 1543 CD PRO A 93 11.211 -15.195 0.604 1.00 0.00 C ATOM 0 HA PRO A 93 9.879 -12.362 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.605 -12.223 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.640 -12.521 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.095 -14.572 -0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.085 -14.462 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.392 -16.175 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.889 -15.363 1.632 1.00 0.00 H new ATOM 1551 N VAL A 94 11.102 -11.673 -2.359 1.00 0.00 N ATOM 1552 CA VAL A 94 11.578 -11.351 -3.698 1.00 0.00 C ATOM 1553 C VAL A 94 12.941 -10.656 -3.558 1.00 0.00 C ATOM 1554 O VAL A 94 13.056 -9.675 -2.821 1.00 0.00 O ATOM 1555 CB VAL A 94 10.515 -10.507 -4.437 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.094 -9.569 -5.506 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.471 -11.430 -5.069 1.00 0.00 C ATOM 0 H VAL A 94 10.852 -10.852 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 94 11.724 -12.243 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 94 10.058 -9.865 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.285 -9.012 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.790 -8.872 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.619 -10.156 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.723 -10.831 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.958 -12.098 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.987 -12.019 -4.290 1.00 0.00 H new ATOM 1567 N PRO A 95 13.997 -11.149 -4.225 1.00 0.00 N ATOM 1568 CA PRO A 95 15.256 -10.429 -4.304 1.00 0.00 C ATOM 1569 C PRO A 95 15.098 -9.280 -5.308 1.00 0.00 C ATOM 1570 O PRO A 95 14.237 -9.347 -6.187 1.00 0.00 O ATOM 1571 CB PRO A 95 16.271 -11.468 -4.787 1.00 0.00 C ATOM 1572 CG PRO A 95 15.431 -12.376 -5.685 1.00 0.00 C ATOM 1573 CD PRO A 95 14.055 -12.370 -5.017 1.00 0.00 C ATOM 0 HA PRO A 95 15.573 -9.990 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.092 -11.006 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.712 -12.018 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.383 -11.997 -6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.846 -13.382 -5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.260 -12.390 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.923 -13.250 -4.387 1.00 0.00 H new ATOM 1581 N PRO A 96 15.908 -8.217 -5.210 1.00 0.00 N ATOM 1582 CA PRO A 96 15.865 -7.131 -6.172 1.00 0.00 C ATOM 1583 C PRO A 96 16.330 -7.618 -7.550 1.00 0.00 C ATOM 1584 O PRO A 96 17.234 -8.450 -7.628 1.00 0.00 O ATOM 1585 CB PRO A 96 16.789 -6.049 -5.604 1.00 0.00 C ATOM 1586 CG PRO A 96 17.786 -6.847 -4.761 1.00 0.00 C ATOM 1587 CD PRO A 96 16.941 -7.997 -4.213 1.00 0.00 C ATOM 0 HA PRO A 96 14.857 -6.744 -6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.288 -5.490 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.239 -5.326 -5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.620 -7.211 -5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.210 -6.242 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.544 -8.893 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.507 -7.742 -3.246 1.00 0.00 H new ATOM 1595 N PRO A 97 15.739 -7.110 -8.643 1.00 0.00 N ATOM 1596 CA PRO A 97 16.164 -7.446 -9.993 1.00 0.00 C ATOM 1597 C PRO A 97 17.545 -6.851 -10.286 1.00 0.00 C ATOM 1598 O PRO A 97 18.261 -7.465 -11.107 1.00 0.00 O ATOM 1599 CB PRO A 97 15.084 -6.864 -10.910 1.00 0.00 C ATOM 1600 CG PRO A 97 14.566 -5.660 -10.121 1.00 0.00 C ATOM 1601 CD PRO A 97 14.658 -6.136 -8.671 1.00 0.00 C ATOM 1602 OXT PRO A 97 17.854 -5.783 -9.710 1.00 0.00 O ATOM 0 HA PRO A 97 16.267 -8.521 -10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.493 -6.567 -11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 97 14.292 -7.586 -11.108 1.00 0.00 H new ATOM 0 HG2 PRO A 97 15.174 -4.772 -10.294 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.543 -5.405 -10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.864 -5.304 -7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.719 -6.584 -8.346 1.00 0.00 H new TER 1610 PRO A 97