USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 60 MET CE :methyl -148:sc=-0.00863 (180deg=0) USER MOD Set 1.2: A 77 GLN : amide:sc= -4.41! C(o=-4.4!,f=-12!) USER MOD Set 2.1: A 30 GLN : amide:sc= -2.34 K(o=-5.7,f=-13!) USER MOD Set 2.2: A 79 ASN : amide:sc= -3.32! C(o=-5.7!,f=-9.3!) USER MOD Set 3.1: A 15 ASN : amide:sc= -1.44 K(o=-3.5,f=-9.6!) USER MOD Set 3.2: A 18 LYS NZ :NH3+ 171:sc= -2.07! (180deg=-2.59!) USER MOD Set 4.1: A 6 MET CE :methyl -119:sc= 0 (180deg=-0.094) USER MOD Set 4.2: A 7 ASN : amide:sc= -1.7! C(o=-1.7!,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.112 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 169:sc= -1.04 USER MOD Single : A 16 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.014) USER MOD Single : A 19 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 23 SER OG : rot 86:sc= 1.08 USER MOD Single : A 28 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -77:sc= -2.31 USER MOD Single : A 39 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 40 SER OG : rot 51:sc= 0.188 USER MOD Single : A 44 MET CE :methyl 151:sc= -0.497 (180deg=-1.12) USER MOD Single : A 45 ASN : amide:sc= -5.08! C(o=-5.1!,f=-5!) USER MOD Single : A 46 GLN : amide:sc= -18.1! C(o=-18!,f=-24!) USER MOD Single : A 51 HIS : no HD1:sc= -8.37! C(o=-8.4!,f=-9.2!) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= -0.456 (180deg=-0.829) USER MOD Single : A 57 HIS : no HE2:sc= -0.983 K(o=-0.98,f=-10!) USER MOD Single : A 61 CYS SG : rot -87:sc= -0.934! USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= -0.994 (180deg=-1.13) USER MOD Single : A 65 LYS NZ :NH3+ -139:sc= -1.61 (180deg=-4.26!) USER MOD Single : A 66 SER OG : rot -149:sc= -4.63! USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= -1.59 (180deg=-1.6) USER MOD Single : A 72 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.9!) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -3.66! (180deg=-4.11!) USER MOD Single : A 75 ASN : amide:sc= -1.78 K(o=-1.8,f=-3.2!) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= -4.69! (180deg=-6.11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.999 52.665 -8.635 1.00 0.00 N ATOM 2 CA GLY A 1 6.714 54.119 -8.457 1.00 0.00 C ATOM 3 C GLY A 1 7.690 54.714 -7.449 1.00 0.00 C ATOM 4 O GLY A 1 8.669 54.074 -7.062 1.00 0.00 O ATOM 0 H1 GLY A 1 7.221 52.474 -9.633 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.810 52.395 -8.042 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.165 52.111 -8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.802 54.636 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.690 54.259 -8.112 1.00 0.00 H new ATOM 10 N PRO A 2 7.437 55.919 -7.019 1.00 0.00 N ATOM 11 CA PRO A 2 8.304 56.622 -6.029 1.00 0.00 C ATOM 12 C PRO A 2 8.535 55.779 -4.778 1.00 0.00 C ATOM 13 O PRO A 2 7.676 54.991 -4.381 1.00 0.00 O ATOM 14 CB PRO A 2 7.524 57.897 -5.692 1.00 0.00 C ATOM 15 CG PRO A 2 6.606 58.123 -6.846 1.00 0.00 C ATOM 16 CD PRO A 2 6.295 56.747 -7.434 1.00 0.00 C ATOM 0 HA PRO A 2 9.298 56.825 -6.427 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.965 57.781 -4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.197 58.743 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.692 58.621 -6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.073 58.766 -7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.355 56.352 -7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.204 56.788 -8.519 1.00 0.00 H new ATOM 24 N LEU A 3 9.700 55.946 -4.160 1.00 0.00 N ATOM 25 CA LEU A 3 10.022 55.189 -2.957 1.00 0.00 C ATOM 26 C LEU A 3 9.114 55.609 -1.805 1.00 0.00 C ATOM 27 O LEU A 3 7.893 55.470 -1.884 1.00 0.00 O ATOM 28 CB LEU A 3 11.481 55.418 -2.560 1.00 0.00 C ATOM 29 CG LEU A 3 11.885 54.389 -1.501 1.00 0.00 C ATOM 30 CD1 LEU A 3 12.273 53.072 -2.182 1.00 0.00 C ATOM 31 CD2 LEU A 3 13.075 54.920 -0.698 1.00 0.00 C ATOM 0 H LEU A 3 10.428 56.591 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 3 9.867 54.131 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.126 55.329 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.610 56.428 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 3 11.044 54.214 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.560 52.342 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.424 52.692 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.112 53.244 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.362 54.187 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.916 55.099 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.796 55.853 -0.209 1.00 0.00 H new ATOM 43 N GLY A 4 9.717 56.119 -0.737 1.00 0.00 N ATOM 44 CA GLY A 4 8.953 56.554 0.427 1.00 0.00 C ATOM 45 C GLY A 4 8.639 55.374 1.338 1.00 0.00 C ATOM 46 O GLY A 4 8.561 54.232 0.883 1.00 0.00 O ATOM 0 H GLY A 4 10.726 56.241 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.518 57.305 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.026 57.027 0.103 1.00 0.00 H new ATOM 50 N SER A 5 8.458 55.653 2.624 1.00 0.00 N ATOM 51 CA SER A 5 8.153 54.598 3.583 1.00 0.00 C ATOM 52 C SER A 5 6.654 54.317 3.604 1.00 0.00 C ATOM 53 O SER A 5 6.188 53.432 4.322 1.00 0.00 O ATOM 54 CB SER A 5 8.612 55.016 4.978 1.00 0.00 C ATOM 55 OG SER A 5 9.984 55.380 4.930 1.00 0.00 O ATOM 0 H SER A 5 8.516 56.590 3.023 1.00 0.00 H new ATOM 0 HA SER A 5 8.680 53.692 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.014 55.854 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.465 54.197 5.682 1.00 0.00 H new ATOM 0 HG SER A 5 10.282 55.651 5.823 1.00 0.00 H new ATOM 61 N MET A 6 5.906 55.076 2.811 1.00 0.00 N ATOM 62 CA MET A 6 4.461 54.900 2.744 1.00 0.00 C ATOM 63 C MET A 6 4.119 53.499 2.247 1.00 0.00 C ATOM 64 O MET A 6 4.898 52.561 2.416 1.00 0.00 O ATOM 65 CB MET A 6 3.855 55.944 1.803 1.00 0.00 C ATOM 66 CG MET A 6 4.370 55.710 0.382 1.00 0.00 C ATOM 67 SD MET A 6 3.688 56.968 -0.723 1.00 0.00 S ATOM 68 CE MET A 6 4.683 56.560 -2.178 1.00 0.00 C ATOM 0 H MET A 6 6.273 55.814 2.210 1.00 0.00 H new ATOM 0 HA MET A 6 4.046 55.029 3.744 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.767 55.879 1.822 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.120 56.947 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.459 55.750 0.368 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.083 54.716 0.039 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.290 57.421 -2.457 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.333 55.716 -1.949 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.025 56.297 -3.006 1.00 0.00 H new ATOM 78 N ASN A 7 2.952 53.367 1.628 1.00 0.00 N ATOM 79 CA ASN A 7 2.512 52.081 1.098 1.00 0.00 C ATOM 80 C ASN A 7 2.940 50.931 2.005 1.00 0.00 C ATOM 81 O ASN A 7 3.058 51.089 3.220 1.00 0.00 O ATOM 82 CB ASN A 7 3.100 51.870 -0.297 1.00 0.00 C ATOM 83 CG ASN A 7 2.758 53.054 -1.190 1.00 0.00 C ATOM 84 OD1 ASN A 7 1.683 53.639 -1.064 1.00 0.00 O ATOM 85 ND2 ASN A 7 3.616 53.443 -2.092 1.00 0.00 N ATOM 0 H ASN A 7 2.294 54.132 1.481 1.00 0.00 H new ATOM 0 HA ASN A 7 1.423 52.092 1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.182 51.754 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.707 50.951 -0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.397 54.235 -2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.506 52.955 -2.193 1.00 0.00 H new ATOM 92 N LYS A 8 3.162 49.768 1.399 1.00 0.00 N ATOM 93 CA LYS A 8 3.565 48.579 2.144 1.00 0.00 C ATOM 94 C LYS A 8 5.066 48.580 2.427 1.00 0.00 C ATOM 95 O LYS A 8 5.768 49.546 2.131 1.00 0.00 O ATOM 96 CB LYS A 8 3.202 47.320 1.349 1.00 0.00 C ATOM 97 CG LYS A 8 3.903 47.356 -0.013 1.00 0.00 C ATOM 98 CD LYS A 8 3.731 46.007 -0.717 1.00 0.00 C ATOM 99 CE LYS A 8 2.256 45.788 -1.059 1.00 0.00 C ATOM 100 NZ LYS A 8 2.131 45.416 -2.497 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.070 49.623 0.394 1.00 0.00 H new ATOM 0 HA LYS A 8 3.035 48.586 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.502 46.429 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.122 47.262 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.485 48.154 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.962 47.576 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.333 45.981 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.089 45.202 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.839 45.001 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.686 46.694 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.129 45.267 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.514 46.181 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.663 44.540 -2.677 1.00 0.00 H new ATOM 114 N PHE A 9 5.546 47.478 3.002 1.00 0.00 N ATOM 115 CA PHE A 9 6.962 47.334 3.327 1.00 0.00 C ATOM 116 C PHE A 9 7.773 47.048 2.067 1.00 0.00 C ATOM 117 O PHE A 9 7.254 46.498 1.096 1.00 0.00 O ATOM 118 CB PHE A 9 7.152 46.191 4.329 1.00 0.00 C ATOM 119 CG PHE A 9 6.682 46.629 5.695 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.521 47.406 6.503 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.412 46.258 6.157 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.093 47.813 7.771 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.984 46.668 7.428 1.00 0.00 C ATOM 124 CZ PHE A 9 5.825 47.445 8.234 1.00 0.00 C ATOM 0 H PHE A 9 4.973 46.672 3.252 1.00 0.00 H new ATOM 0 HA PHE A 9 7.313 48.267 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.592 45.314 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.202 45.902 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.500 47.691 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.764 45.658 5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.742 48.412 8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.005 46.384 7.785 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.495 47.760 9.213 1.00 0.00 H new ATOM 134 N THR A 10 9.048 47.430 2.087 1.00 0.00 N ATOM 135 CA THR A 10 9.916 47.214 0.933 1.00 0.00 C ATOM 136 C THR A 10 10.475 45.800 0.938 1.00 0.00 C ATOM 137 O THR A 10 10.499 45.134 1.971 1.00 0.00 O ATOM 138 CB THR A 10 11.077 48.210 0.950 1.00 0.00 C ATOM 139 OG1 THR A 10 11.821 48.049 2.149 1.00 0.00 O ATOM 140 CG2 THR A 10 10.538 49.638 0.863 1.00 0.00 C ATOM 0 H THR A 10 9.499 47.886 2.880 1.00 0.00 H new ATOM 0 HA THR A 10 9.320 47.361 0.032 1.00 0.00 H new ATOM 0 HB THR A 10 11.725 48.023 0.094 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.658 48.554 2.085 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.370 50.342 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.975 49.758 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.885 49.833 1.714 1.00 0.00 H new ATOM 148 N ASP A 11 10.919 45.345 -0.226 1.00 0.00 N ATOM 149 CA ASP A 11 11.470 44.007 -0.336 1.00 0.00 C ATOM 150 C ASP A 11 12.592 43.814 0.676 1.00 0.00 C ATOM 151 O ASP A 11 12.694 42.762 1.303 1.00 0.00 O ATOM 152 CB ASP A 11 12.003 43.779 -1.752 1.00 0.00 C ATOM 153 CG ASP A 11 10.844 43.748 -2.746 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.708 43.730 -2.300 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.111 43.746 -3.937 1.00 0.00 O ATOM 0 H ASP A 11 10.908 45.877 -1.096 1.00 0.00 H new ATOM 0 HA ASP A 11 10.681 43.284 -0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.701 44.572 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.555 42.840 -1.795 1.00 0.00 H new ATOM 160 N ASP A 12 13.422 44.841 0.841 1.00 0.00 N ATOM 161 CA ASP A 12 14.522 44.768 1.795 1.00 0.00 C ATOM 162 C ASP A 12 13.983 44.653 3.212 1.00 0.00 C ATOM 163 O ASP A 12 14.434 43.819 3.997 1.00 0.00 O ATOM 164 CB ASP A 12 15.397 46.019 1.686 1.00 0.00 C ATOM 165 CG ASP A 12 16.092 46.061 0.329 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.277 45.006 -0.253 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.425 47.150 -0.110 1.00 0.00 O1- ATOM 0 H ASP A 12 13.355 45.723 0.333 1.00 0.00 H new ATOM 0 HA ASP A 12 15.120 43.886 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.785 46.912 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.140 46.022 2.483 1.00 0.00 H new ATOM 172 N GLU A 13 12.999 45.486 3.527 1.00 0.00 N ATOM 173 CA GLU A 13 12.387 45.468 4.847 1.00 0.00 C ATOM 174 C GLU A 13 11.642 44.164 5.047 1.00 0.00 C ATOM 175 O GLU A 13 11.659 43.579 6.128 1.00 0.00 O ATOM 176 CB GLU A 13 11.426 46.644 4.979 1.00 0.00 C ATOM 177 CG GLU A 13 12.231 47.944 5.039 1.00 0.00 C ATOM 178 CD GLU A 13 11.297 49.136 5.214 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.106 48.963 5.022 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 11.789 50.206 5.534 1.00 0.00 O ATOM 0 H GLU A 13 12.610 46.180 2.888 1.00 0.00 H new ATOM 0 HA GLU A 13 13.163 45.553 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.740 46.666 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.820 46.535 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.939 47.903 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.814 48.061 4.126 1.00 0.00 H new ATOM 187 N TRP A 14 10.999 43.708 3.984 1.00 0.00 N ATOM 188 CA TRP A 14 10.265 42.470 4.039 1.00 0.00 C ATOM 189 C TRP A 14 11.227 41.338 4.360 1.00 0.00 C ATOM 190 O TRP A 14 10.963 40.520 5.238 1.00 0.00 O ATOM 191 CB TRP A 14 9.584 42.240 2.696 1.00 0.00 C ATOM 192 CG TRP A 14 8.301 41.502 2.888 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.957 40.385 2.218 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.188 41.808 3.784 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.700 39.983 2.634 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.187 40.826 3.601 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.945 42.832 4.724 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.993 40.854 4.324 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.745 42.859 5.451 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.771 41.871 5.253 1.00 0.00 C ATOM 0 H TRP A 14 10.975 44.180 3.080 1.00 0.00 H new ATOM 0 HA TRP A 14 9.502 42.510 4.816 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.393 43.196 2.209 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.243 41.673 2.038 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.563 39.885 1.477 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.212 39.164 2.271 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.687 43.600 4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.245 40.092 4.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.571 43.647 6.169 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.851 41.897 5.818 1.00 0.00 H new ATOM 211 N ASN A 15 12.355 41.296 3.654 1.00 0.00 N ATOM 212 CA ASN A 15 13.345 40.257 3.902 1.00 0.00 C ATOM 213 C ASN A 15 13.752 40.263 5.365 1.00 0.00 C ATOM 214 O ASN A 15 13.890 39.209 5.984 1.00 0.00 O ATOM 215 CB ASN A 15 14.570 40.491 3.023 1.00 0.00 C ATOM 216 CG ASN A 15 14.209 40.277 1.557 1.00 0.00 C ATOM 217 OD1 ASN A 15 13.545 39.297 1.218 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.604 41.140 0.662 1.00 0.00 N ATOM 0 H ASN A 15 12.602 41.958 2.918 1.00 0.00 H new ATOM 0 HA ASN A 15 12.909 39.287 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.945 41.504 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.371 39.810 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.363 41.003 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.154 41.951 0.944 1.00 0.00 H new ATOM 225 N GLN A 16 13.918 41.457 5.923 1.00 0.00 N ATOM 226 CA GLN A 16 14.283 41.577 7.326 1.00 0.00 C ATOM 227 C GLN A 16 13.150 41.015 8.171 1.00 0.00 C ATOM 228 O GLN A 16 13.367 40.236 9.098 1.00 0.00 O ATOM 229 CB GLN A 16 14.503 43.049 7.677 1.00 0.00 C ATOM 230 CG GLN A 16 15.662 43.598 6.848 1.00 0.00 C ATOM 231 CD GLN A 16 15.671 45.120 6.907 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.662 45.703 7.990 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.681 45.799 5.792 1.00 0.00 N ATOM 0 H GLN A 16 13.807 42.344 5.431 1.00 0.00 H new ATOM 0 HA GLN A 16 15.203 41.026 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.597 43.621 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.720 43.153 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.607 43.206 7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.569 43.267 5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.688 45.310 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.681 46.819 5.816 1.00 0.00 H new ATOM 242 N LEU A 17 11.937 41.419 7.819 1.00 0.00 N ATOM 243 CA LEU A 17 10.744 40.962 8.515 1.00 0.00 C ATOM 244 C LEU A 17 10.565 39.457 8.352 1.00 0.00 C ATOM 245 O LEU A 17 10.147 38.774 9.287 1.00 0.00 O ATOM 246 CB LEU A 17 9.515 41.688 7.956 1.00 0.00 C ATOM 247 CG LEU A 17 8.240 41.170 8.634 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.153 41.712 10.061 1.00 0.00 C ATOM 249 CD2 LEU A 17 7.022 41.642 7.840 1.00 0.00 C ATOM 0 H LEU A 17 11.754 42.066 7.052 1.00 0.00 H new ATOM 0 HA LEU A 17 10.855 41.185 9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.612 42.761 8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.451 41.534 6.879 1.00 0.00 H new ATOM 0 HG LEU A 17 8.265 40.081 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.245 41.340 10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.022 41.381 10.629 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.129 42.801 10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.113 41.277 8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.005 42.732 7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.078 41.255 6.823 1.00 0.00 H new ATOM 261 N LYS A 18 10.876 38.938 7.164 1.00 0.00 N ATOM 262 CA LYS A 18 10.730 37.507 6.917 1.00 0.00 C ATOM 263 C LYS A 18 11.623 36.697 7.846 1.00 0.00 C ATOM 264 O LYS A 18 11.180 35.708 8.430 1.00 0.00 O ATOM 265 CB LYS A 18 11.052 37.176 5.458 1.00 0.00 C ATOM 266 CG LYS A 18 9.906 37.662 4.568 1.00 0.00 C ATOM 267 CD LYS A 18 9.996 36.996 3.194 1.00 0.00 C ATOM 268 CE LYS A 18 11.099 37.653 2.367 1.00 0.00 C ATOM 269 NZ LYS A 18 12.410 37.018 2.691 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.224 39.477 6.371 1.00 0.00 H new ATOM 0 HA LYS A 18 9.693 37.239 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.986 37.653 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.191 36.102 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.948 37.428 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.952 38.746 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.201 35.932 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.041 37.082 2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.884 37.546 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.139 38.722 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.133 37.355 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.688 37.271 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.323 35.984 2.614 1.00 0.00 H new ATOM 283 N GLN A 19 12.878 37.116 7.991 1.00 0.00 N ATOM 284 CA GLN A 19 13.793 36.401 8.867 1.00 0.00 C ATOM 285 C GLN A 19 13.267 36.431 10.293 1.00 0.00 C ATOM 286 O GLN A 19 13.339 35.436 11.013 1.00 0.00 O ATOM 287 CB GLN A 19 15.179 37.053 8.827 1.00 0.00 C ATOM 288 CG GLN A 19 15.729 37.015 7.401 1.00 0.00 C ATOM 289 CD GLN A 19 15.935 35.574 6.949 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.688 34.826 7.575 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.299 35.136 5.899 1.00 0.00 N ATOM 0 H GLN A 19 13.276 37.930 7.523 1.00 0.00 H new ATOM 0 HA GLN A 19 13.871 35.369 8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.116 38.084 9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.857 36.530 9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.039 37.520 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.674 37.556 7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.677 35.758 5.383 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.424 34.171 5.593 1.00 0.00 H new ATOM 300 N ASP A 20 12.741 37.583 10.699 1.00 0.00 N ATOM 301 CA ASP A 20 12.212 37.737 12.046 1.00 0.00 C ATOM 302 C ASP A 20 11.035 36.798 12.294 1.00 0.00 C ATOM 303 O ASP A 20 10.994 36.112 13.315 1.00 0.00 O ATOM 304 CB ASP A 20 11.775 39.183 12.261 1.00 0.00 C ATOM 305 CG ASP A 20 12.996 40.096 12.246 1.00 0.00 C ATOM 306 OD1 ASP A 20 14.091 39.592 12.439 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.820 41.286 12.041 1.00 0.00 O1- ATOM 0 H ASP A 20 12.671 38.418 10.117 1.00 0.00 H new ATOM 0 HA ASP A 20 13.001 37.480 12.753 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.076 39.482 11.480 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.250 39.277 13.212 1.00 0.00 H new ATOM 312 N PHE A 21 10.081 36.750 11.366 1.00 0.00 N ATOM 313 CA PHE A 21 8.942 35.860 11.542 1.00 0.00 C ATOM 314 C PHE A 21 9.452 34.431 11.603 1.00 0.00 C ATOM 315 O PHE A 21 9.053 33.648 12.464 1.00 0.00 O ATOM 316 CB PHE A 21 7.941 36.012 10.393 1.00 0.00 C ATOM 317 CG PHE A 21 7.071 37.232 10.623 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.562 38.333 11.341 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.765 37.259 10.117 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.749 39.455 11.549 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.953 38.381 10.325 1.00 0.00 C ATOM 322 CZ PHE A 21 5.445 39.479 11.041 1.00 0.00 C ATOM 0 H PHE A 21 10.074 37.302 10.508 1.00 0.00 H new ATOM 0 HA PHE A 21 8.425 36.117 12.467 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.473 36.107 9.446 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.319 35.120 10.321 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.568 38.316 11.734 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.383 36.413 9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.129 40.302 12.102 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.947 38.399 9.933 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.819 40.344 11.201 1.00 0.00 H new ATOM 332 N ILE A 22 10.378 34.115 10.704 1.00 0.00 N ATOM 333 CA ILE A 22 10.981 32.793 10.683 1.00 0.00 C ATOM 334 C ILE A 22 11.618 32.519 12.036 1.00 0.00 C ATOM 335 O ILE A 22 11.407 31.463 12.638 1.00 0.00 O ATOM 336 CB ILE A 22 12.037 32.725 9.580 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.344 32.762 8.221 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.831 31.427 9.705 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.387 32.916 7.113 1.00 0.00 C ATOM 0 H ILE A 22 10.723 34.753 9.987 1.00 0.00 H new ATOM 0 HA ILE A 22 10.218 32.041 10.482 1.00 0.00 H new ATOM 0 HB ILE A 22 12.715 33.573 9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.771 31.847 8.069 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.637 33.591 8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.583 31.383 8.917 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.323 31.393 10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.156 30.577 9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.888 32.942 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.941 33.843 7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.077 32.073 7.143 1.00 0.00 H new ATOM 351 N SER A 23 12.394 33.489 12.507 1.00 0.00 N ATOM 352 CA SER A 23 13.063 33.372 13.795 1.00 0.00 C ATOM 353 C SER A 23 12.044 33.108 14.903 1.00 0.00 C ATOM 354 O SER A 23 12.260 32.260 15.764 1.00 0.00 O ATOM 355 CB SER A 23 13.818 34.669 14.095 1.00 0.00 C ATOM 356 OG SER A 23 14.660 34.988 12.994 1.00 0.00 O ATOM 0 H SER A 23 12.575 34.364 12.015 1.00 0.00 H new ATOM 0 HA SER A 23 13.763 32.537 13.755 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.113 35.480 14.275 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.413 34.556 15.002 1.00 0.00 H new ATOM 0 HG SER A 23 14.149 35.492 12.327 1.00 0.00 H new ATOM 362 N GLY A 24 10.932 33.834 14.870 1.00 0.00 N ATOM 363 CA GLY A 24 9.890 33.663 15.880 1.00 0.00 C ATOM 364 C GLY A 24 9.338 32.239 15.874 1.00 0.00 C ATOM 365 O GLY A 24 8.986 31.696 16.921 1.00 0.00 O ATOM 0 H GLY A 24 10.728 34.540 14.163 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.295 33.894 16.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.081 34.369 15.694 1.00 0.00 H new ATOM 369 N ILE A 25 9.264 31.646 14.688 1.00 0.00 N ATOM 370 CA ILE A 25 8.745 30.287 14.548 1.00 0.00 C ATOM 371 C ILE A 25 9.708 29.270 15.145 1.00 0.00 C ATOM 372 O ILE A 25 9.293 28.334 15.823 1.00 0.00 O ATOM 373 CB ILE A 25 8.536 29.975 13.064 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.427 30.871 12.497 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.160 28.504 12.882 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.154 30.722 13.332 1.00 0.00 C ATOM 0 H ILE A 25 9.555 32.081 13.812 1.00 0.00 H new ATOM 0 HA ILE A 25 7.798 30.222 15.084 1.00 0.00 H new ATOM 0 HB ILE A 25 9.465 30.169 12.527 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.753 31.911 12.498 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.225 30.601 11.460 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.014 28.294 11.822 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.960 27.873 13.270 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.238 28.294 13.424 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.373 31.362 12.922 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.823 29.684 13.308 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.358 31.014 14.362 1.00 0.00 H new ATOM 388 N LEU A 26 10.991 29.464 14.888 1.00 0.00 N ATOM 389 CA LEU A 26 12.010 28.559 15.403 1.00 0.00 C ATOM 390 C LEU A 26 12.281 28.850 16.880 1.00 0.00 C ATOM 391 O LEU A 26 12.691 27.971 17.637 1.00 0.00 O ATOM 392 CB LEU A 26 13.288 28.711 14.565 1.00 0.00 C ATOM 393 CG LEU A 26 14.298 29.602 15.290 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.060 28.765 16.318 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.294 30.177 14.278 1.00 0.00 C ATOM 0 H LEU A 26 11.353 30.236 14.328 1.00 0.00 H new ATOM 0 HA LEU A 26 11.660 27.530 15.328 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.727 27.731 14.378 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.045 29.142 13.594 1.00 0.00 H new ATOM 0 HG LEU A 26 13.771 30.416 15.789 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.781 29.395 16.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.358 28.347 17.039 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.585 27.955 15.811 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.013 30.812 14.796 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.821 29.362 13.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.758 30.767 13.535 1.00 0.00 H new ATOM 407 N GLU A 27 12.039 30.095 17.277 1.00 0.00 N ATOM 408 CA GLU A 27 12.249 30.514 18.660 1.00 0.00 C ATOM 409 C GLU A 27 11.185 29.937 19.591 1.00 0.00 C ATOM 410 O GLU A 27 11.460 29.661 20.760 1.00 0.00 O ATOM 411 CB GLU A 27 12.223 32.043 18.744 1.00 0.00 C ATOM 412 CG GLU A 27 13.564 32.607 18.269 1.00 0.00 C ATOM 413 CD GLU A 27 14.667 32.212 19.244 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.351 31.972 20.397 1.00 0.00 O ATOM 415 OE2 GLU A 27 15.809 32.149 18.822 1.00 0.00 O1- ATOM 0 H GLU A 27 11.697 30.833 16.661 1.00 0.00 H new ATOM 0 HA GLU A 27 13.220 30.136 18.980 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.413 32.437 18.130 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.028 32.358 19.769 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.795 32.230 17.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.505 33.693 18.193 1.00 0.00 H new ATOM 422 N ASN A 28 9.971 29.773 19.080 1.00 0.00 N ATOM 423 CA ASN A 28 8.877 29.247 19.894 1.00 0.00 C ATOM 424 C ASN A 28 8.782 27.729 19.786 1.00 0.00 C ATOM 425 O ASN A 28 9.186 27.140 18.785 1.00 0.00 O ATOM 426 CB ASN A 28 7.559 29.873 19.448 1.00 0.00 C ATOM 427 CG ASN A 28 7.653 31.387 19.560 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.583 31.911 20.179 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.745 32.128 18.995 1.00 0.00 N ATOM 0 H ASN A 28 9.718 29.993 18.117 1.00 0.00 H new ATOM 0 HA ASN A 28 9.078 29.502 20.935 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.338 29.587 18.420 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.741 29.502 20.065 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.801 33.144 19.063 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.977 31.693 18.484 1.00 0.00 H new ATOM 436 N GLU A 29 8.238 27.102 20.826 1.00 0.00 N ATOM 437 CA GLU A 29 8.090 25.651 20.840 1.00 0.00 C ATOM 438 C GLU A 29 7.223 25.186 19.675 1.00 0.00 C ATOM 439 O GLU A 29 7.359 24.056 19.202 1.00 0.00 O ATOM 440 CB GLU A 29 7.458 25.191 22.153 1.00 0.00 C ATOM 441 CG GLU A 29 7.560 23.666 22.240 1.00 0.00 C ATOM 442 CD GLU A 29 6.829 23.154 23.477 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.195 23.954 24.142 1.00 0.00 O ATOM 444 OE2 GLU A 29 6.916 21.965 23.738 1.00 0.00 O1- ATOM 0 H GLU A 29 7.895 27.572 21.664 1.00 0.00 H new ATOM 0 HA GLU A 29 9.083 25.213 20.743 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.967 25.652 22.999 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.415 25.503 22.200 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.133 23.215 21.344 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.607 23.367 22.279 1.00 0.00 H new ATOM 451 N GLN A 30 6.332 26.056 19.210 1.00 0.00 N ATOM 452 CA GLN A 30 5.460 25.700 18.095 1.00 0.00 C ATOM 453 C GLN A 30 6.285 25.277 16.882 1.00 0.00 C ATOM 454 O GLN A 30 5.794 24.571 16.003 1.00 0.00 O ATOM 455 CB GLN A 30 4.567 26.881 17.719 1.00 0.00 C ATOM 456 CG GLN A 30 3.525 27.113 18.814 1.00 0.00 C ATOM 457 CD GLN A 30 2.718 28.365 18.490 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.187 29.220 17.737 1.00 0.00 O ATOM 459 NE2 GLN A 30 1.529 28.527 19.006 1.00 0.00 N ATOM 0 H GLN A 30 6.195 26.997 19.580 1.00 0.00 H new ATOM 0 HA GLN A 30 4.835 24.864 18.408 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.172 27.778 17.584 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.071 26.685 16.768 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.863 26.250 18.890 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.016 27.224 19.781 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.143 27.818 19.629 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.987 29.363 18.786 1.00 0.00 H new ATOM 468 N LYS A 31 7.539 25.719 16.844 1.00 0.00 N ATOM 469 CA LYS A 31 8.434 25.390 15.739 1.00 0.00 C ATOM 470 C LYS A 31 8.243 23.942 15.308 1.00 0.00 C ATOM 471 O LYS A 31 8.468 23.588 14.155 1.00 0.00 O ATOM 472 CB LYS A 31 9.884 25.576 16.183 1.00 0.00 C ATOM 473 CG LYS A 31 10.288 24.380 17.047 1.00 0.00 C ATOM 474 CD LYS A 31 11.643 24.643 17.697 1.00 0.00 C ATOM 475 CE LYS A 31 12.139 23.358 18.356 1.00 0.00 C ATOM 476 NZ LYS A 31 13.416 23.630 19.068 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.958 26.306 17.565 1.00 0.00 H new ATOM 0 HA LYS A 31 8.204 26.050 14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.538 25.653 15.315 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.991 26.503 16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.535 24.204 17.815 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.337 23.479 16.436 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.359 24.983 16.949 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.556 25.437 18.439 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.392 22.983 19.056 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.287 22.584 17.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.756 22.756 19.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.127 23.969 18.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.260 24.356 19.796 1.00 0.00 H new ATOM 490 N ASP A 32 7.844 23.103 16.249 1.00 0.00 N ATOM 491 CA ASP A 32 7.647 21.690 15.959 1.00 0.00 C ATOM 492 C ASP A 32 6.617 21.495 14.847 1.00 0.00 C ATOM 493 O ASP A 32 6.725 20.561 14.050 1.00 0.00 O ATOM 494 CB ASP A 32 7.196 20.960 17.226 1.00 0.00 C ATOM 495 CG ASP A 32 8.334 20.939 18.242 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.470 21.127 17.835 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 8.055 20.731 19.412 1.00 0.00 O ATOM 0 H ASP A 32 7.651 23.371 17.214 1.00 0.00 H new ATOM 0 HA ASP A 32 8.595 21.274 15.618 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.324 21.457 17.652 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.895 19.941 16.982 1.00 0.00 H new ATOM 502 N LEU A 33 5.620 22.373 14.796 1.00 0.00 N ATOM 503 CA LEU A 33 4.582 22.271 13.773 1.00 0.00 C ATOM 504 C LEU A 33 5.168 22.439 12.376 1.00 0.00 C ATOM 505 O LEU A 33 4.830 21.690 11.461 1.00 0.00 O ATOM 506 CB LEU A 33 3.512 23.336 14.009 1.00 0.00 C ATOM 507 CG LEU A 33 2.876 23.114 15.380 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.018 24.323 15.747 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.993 21.865 15.338 1.00 0.00 C ATOM 0 H LEU A 33 5.508 23.154 15.442 1.00 0.00 H new ATOM 0 HA LEU A 33 4.136 21.279 13.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.954 24.331 13.957 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.752 23.284 13.229 1.00 0.00 H new ATOM 0 HG LEU A 33 3.661 22.983 16.124 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.565 24.164 16.725 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.642 25.216 15.777 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.234 24.453 15.001 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.539 21.707 16.316 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.209 21.998 14.592 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.600 20.999 15.075 1.00 0.00 H new ATOM 521 N VAL A 34 6.053 23.420 12.209 1.00 0.00 N ATOM 522 CA VAL A 34 6.664 23.644 10.905 1.00 0.00 C ATOM 523 C VAL A 34 7.639 22.519 10.588 1.00 0.00 C ATOM 524 O VAL A 34 7.838 22.164 9.427 1.00 0.00 O ATOM 525 CB VAL A 34 7.380 25.003 10.857 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.795 24.877 11.421 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.468 25.481 9.407 1.00 0.00 C ATOM 0 H VAL A 34 6.357 24.059 12.944 1.00 0.00 H new ATOM 0 HA VAL A 34 5.875 23.654 10.153 1.00 0.00 H new ATOM 0 HB VAL A 34 6.815 25.718 11.455 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.290 25.847 11.381 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.745 24.537 12.456 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.360 24.156 10.829 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.976 26.445 9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.027 24.754 8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.464 25.585 8.997 1.00 0.00 H new ATOM 537 N ALA A 35 8.242 21.955 11.631 1.00 0.00 N ATOM 538 CA ALA A 35 9.187 20.866 11.443 1.00 0.00 C ATOM 539 C ALA A 35 8.487 19.686 10.783 1.00 0.00 C ATOM 540 O ALA A 35 9.008 19.092 9.838 1.00 0.00 O ATOM 541 CB ALA A 35 9.765 20.438 12.794 1.00 0.00 C ATOM 0 H ALA A 35 8.094 22.231 12.602 1.00 0.00 H new ATOM 0 HA ALA A 35 10.000 21.205 10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.472 19.622 12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.277 21.283 13.255 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.958 20.104 13.446 1.00 0.00 H new ATOM 547 N LYS A 36 7.297 19.363 11.280 1.00 0.00 N ATOM 548 CA LYS A 36 6.518 18.262 10.723 1.00 0.00 C ATOM 549 C LYS A 36 6.099 18.560 9.289 1.00 0.00 C ATOM 550 O LYS A 36 6.113 17.678 8.431 1.00 0.00 O ATOM 551 CB LYS A 36 5.266 18.020 11.565 1.00 0.00 C ATOM 552 CG LYS A 36 5.655 17.394 12.901 1.00 0.00 C ATOM 553 CD LYS A 36 4.402 16.843 13.581 1.00 0.00 C ATOM 554 CE LYS A 36 3.485 17.998 13.988 1.00 0.00 C ATOM 555 NZ LYS A 36 2.465 17.502 14.954 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.853 19.844 12.062 1.00 0.00 H new ATOM 0 HA LYS A 36 7.148 17.372 10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.742 18.961 11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.579 17.363 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.380 16.595 12.745 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.133 18.137 13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.876 16.170 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.680 16.260 14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.070 18.800 14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.996 18.416 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.840 18.286 15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.901 16.751 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.941 17.123 15.797 1.00 0.00 H new ATOM 569 N LEU A 37 5.712 19.804 9.040 1.00 0.00 N ATOM 570 CA LEU A 37 5.274 20.205 7.709 1.00 0.00 C ATOM 571 C LEU A 37 6.360 19.933 6.674 1.00 0.00 C ATOM 572 O LEU A 37 6.067 19.556 5.539 1.00 0.00 O ATOM 573 CB LEU A 37 4.920 21.691 7.707 1.00 0.00 C ATOM 574 CG LEU A 37 4.223 22.048 6.389 1.00 0.00 C ATOM 575 CD1 LEU A 37 3.394 23.326 6.568 1.00 0.00 C ATOM 576 CD2 LEU A 37 5.272 22.263 5.289 1.00 0.00 C ATOM 0 H LEU A 37 5.692 20.549 9.737 1.00 0.00 H new ATOM 0 HA LEU A 37 4.393 19.619 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.268 21.922 8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.822 22.291 7.828 1.00 0.00 H new ATOM 0 HG LEU A 37 3.563 21.230 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.901 23.575 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.642 23.167 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.049 24.146 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.772 22.516 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.939 23.076 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.851 21.349 5.155 1.00 0.00 H new ATOM 588 N THR A 38 7.612 20.130 7.070 1.00 0.00 N ATOM 589 CA THR A 38 8.733 19.908 6.163 1.00 0.00 C ATOM 590 C THR A 38 9.436 18.588 6.469 1.00 0.00 C ATOM 591 O THR A 38 10.624 18.432 6.188 1.00 0.00 O ATOM 592 CB THR A 38 9.729 21.060 6.282 1.00 0.00 C ATOM 593 OG1 THR A 38 10.210 21.133 7.616 1.00 0.00 O ATOM 594 CG2 THR A 38 9.036 22.371 5.911 1.00 0.00 C ATOM 0 H THR A 38 7.876 20.440 8.005 1.00 0.00 H new ATOM 0 HA THR A 38 8.344 19.861 5.146 1.00 0.00 H new ATOM 0 HB THR A 38 10.567 20.891 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.527 21.542 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.745 23.194 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.670 22.311 4.886 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.198 22.543 6.586 1.00 0.00 H new ATOM 602 N ASN A 39 8.702 17.643 7.047 1.00 0.00 N ATOM 603 CA ASN A 39 9.282 16.346 7.379 1.00 0.00 C ATOM 604 C ASN A 39 10.355 16.502 8.456 1.00 0.00 C ATOM 605 O ASN A 39 11.520 16.177 8.240 1.00 0.00 O ATOM 606 CB ASN A 39 9.891 15.712 6.125 1.00 0.00 C ATOM 607 CG ASN A 39 8.980 14.604 5.607 1.00 0.00 C ATOM 608 OD1 ASN A 39 7.781 14.600 5.891 1.00 0.00 O ATOM 609 ND2 ASN A 39 9.480 13.655 4.863 1.00 0.00 N ATOM 0 H ASN A 39 7.718 17.748 7.293 1.00 0.00 H new ATOM 0 HA ASN A 39 8.494 15.698 7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.030 16.470 5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.877 15.307 6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.878 12.909 4.516 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.473 13.660 4.629 1.00 0.00 H new ATOM 616 N SER A 40 9.950 17.009 9.613 1.00 0.00 N ATOM 617 CA SER A 40 10.885 17.210 10.713 1.00 0.00 C ATOM 618 C SER A 40 12.176 17.846 10.211 1.00 0.00 C ATOM 619 O SER A 40 13.228 17.210 10.182 1.00 0.00 O ATOM 620 CB SER A 40 11.201 15.874 11.386 1.00 0.00 C ATOM 621 OG SER A 40 11.312 14.859 10.397 1.00 0.00 O ATOM 0 H SER A 40 8.989 17.287 9.814 1.00 0.00 H new ATOM 0 HA SER A 40 10.421 17.879 11.438 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.131 15.950 11.950 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.416 15.619 12.098 1.00 0.00 H new ATOM 0 HG SER A 40 11.922 15.156 9.690 1.00 0.00 H new ATOM 627 N ASP A 41 12.083 19.112 9.821 1.00 0.00 N ATOM 628 CA ASP A 41 13.242 19.843 9.328 1.00 0.00 C ATOM 629 C ASP A 41 13.767 20.776 10.421 1.00 0.00 C ATOM 630 O ASP A 41 12.991 21.494 11.047 1.00 0.00 O ATOM 631 CB ASP A 41 12.851 20.658 8.095 1.00 0.00 C ATOM 632 CG ASP A 41 14.100 21.161 7.382 1.00 0.00 C ATOM 633 OD1 ASP A 41 14.654 22.151 7.828 1.00 0.00 O1- ATOM 634 OD2 ASP A 41 14.485 20.550 6.399 1.00 0.00 O ATOM 0 H ASP A 41 11.218 19.652 9.837 1.00 0.00 H new ATOM 0 HA ASP A 41 14.025 19.135 9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.258 20.044 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.227 21.501 8.390 1.00 0.00 H new ATOM 639 N PRO A 42 15.052 20.777 10.676 1.00 0.00 N ATOM 640 CA PRO A 42 15.648 21.646 11.730 1.00 0.00 C ATOM 641 C PRO A 42 15.074 23.062 11.703 1.00 0.00 C ATOM 642 O PRO A 42 14.198 23.397 12.501 1.00 0.00 O ATOM 643 CB PRO A 42 17.143 21.631 11.408 1.00 0.00 C ATOM 644 CG PRO A 42 17.380 20.331 10.713 1.00 0.00 C ATOM 645 CD PRO A 42 16.078 19.966 9.996 1.00 0.00 C ATOM 0 HA PRO A 42 15.431 21.287 12.736 1.00 0.00 H new ATOM 0 HB2 PRO A 42 17.418 22.473 10.773 1.00 0.00 H new ATOM 0 HB3 PRO A 42 17.742 21.708 12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.201 20.418 10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 42 17.658 19.556 11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.130 20.199 8.933 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.863 18.901 10.078 1.00 0.00 H new ATOM 653 N ILE A 43 15.563 23.889 10.784 1.00 0.00 N ATOM 654 CA ILE A 43 15.074 25.261 10.678 1.00 0.00 C ATOM 655 C ILE A 43 14.124 25.409 9.494 1.00 0.00 C ATOM 656 O ILE A 43 12.917 25.231 9.644 1.00 0.00 O ATOM 657 CB ILE A 43 16.251 26.224 10.511 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.193 26.098 11.713 1.00 0.00 C ATOM 659 CG2 ILE A 43 15.724 27.657 10.434 1.00 0.00 C ATOM 660 CD1 ILE A 43 18.383 27.044 11.537 1.00 0.00 C ATOM 0 H ILE A 43 16.287 23.639 10.110 1.00 0.00 H new ATOM 0 HA ILE A 43 14.532 25.501 11.593 1.00 0.00 H new ATOM 0 HB ILE A 43 16.792 25.979 9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.659 26.337 12.633 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.544 25.070 11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.560 28.346 10.315 1.00 0.00 H new ATOM 0 HG22 ILE A 43 15.051 27.752 9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.184 27.896 11.350 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.051 26.952 12.394 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.923 26.784 10.626 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.024 28.071 11.466 1.00 0.00 H new ATOM 672 N MET A 44 14.689 25.731 8.324 1.00 0.00 N ATOM 673 CA MET A 44 13.909 25.912 7.097 1.00 0.00 C ATOM 674 C MET A 44 12.667 26.767 7.338 1.00 0.00 C ATOM 675 O MET A 44 12.545 27.865 6.795 1.00 0.00 O ATOM 676 CB MET A 44 13.499 24.558 6.525 1.00 0.00 C ATOM 677 CG MET A 44 12.797 24.769 5.184 1.00 0.00 C ATOM 678 SD MET A 44 13.988 25.346 3.951 1.00 0.00 S ATOM 679 CE MET A 44 12.778 25.901 2.725 1.00 0.00 C ATOM 0 H MET A 44 15.692 25.872 8.203 1.00 0.00 H new ATOM 0 HA MET A 44 14.544 26.433 6.380 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.376 23.925 6.394 1.00 0.00 H new ATOM 0 HB3 MET A 44 12.835 24.043 7.219 1.00 0.00 H new ATOM 0 HG2 MET A 44 12.339 23.837 4.852 1.00 0.00 H new ATOM 0 HG3 MET A 44 11.993 25.497 5.295 1.00 0.00 H new ATOM 0 HE1 MET A 44 13.199 26.721 2.143 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.529 25.074 2.060 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.876 26.243 3.233 1.00 0.00 H new ATOM 689 N ASN A 45 11.748 26.258 8.147 1.00 0.00 N ATOM 690 CA ASN A 45 10.524 26.979 8.457 1.00 0.00 C ATOM 691 C ASN A 45 9.723 27.222 7.190 1.00 0.00 C ATOM 692 O ASN A 45 8.892 28.131 7.129 1.00 0.00 O ATOM 693 CB ASN A 45 10.866 28.314 9.120 1.00 0.00 C ATOM 694 CG ASN A 45 11.639 28.064 10.410 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.188 27.303 11.264 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.786 28.655 10.602 1.00 0.00 N ATOM 0 H ASN A 45 11.828 25.348 8.600 1.00 0.00 H new ATOM 0 HA ASN A 45 9.924 26.380 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.460 28.926 8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.953 28.869 9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.309 28.486 11.461 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.159 29.286 9.893 1.00 0.00 H new ATOM 703 N GLN A 46 9.977 26.399 6.183 1.00 0.00 N ATOM 704 CA GLN A 46 9.275 26.521 4.918 1.00 0.00 C ATOM 705 C GLN A 46 9.560 27.865 4.264 1.00 0.00 C ATOM 706 O GLN A 46 8.653 28.507 3.738 1.00 0.00 O ATOM 707 CB GLN A 46 7.775 26.410 5.148 1.00 0.00 C ATOM 708 CG GLN A 46 7.456 25.104 5.861 1.00 0.00 C ATOM 709 CD GLN A 46 5.976 25.070 6.215 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.569 24.339 7.114 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.140 25.823 5.554 1.00 0.00 N ATOM 0 H GLN A 46 10.661 25.643 6.219 1.00 0.00 H new ATOM 0 HA GLN A 46 9.622 25.720 4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.426 27.254 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.248 26.452 4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.708 24.257 5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.059 25.013 6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.480 26.429 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.146 25.805 5.784 1.00 0.00 H new ATOM 720 N LEU A 47 10.813 28.296 4.302 1.00 0.00 N ATOM 721 CA LEU A 47 11.170 29.576 3.703 1.00 0.00 C ATOM 722 C LEU A 47 10.273 29.860 2.492 1.00 0.00 C ATOM 723 O LEU A 47 9.650 30.918 2.398 1.00 0.00 O ATOM 724 CB LEU A 47 12.637 29.546 3.254 1.00 0.00 C ATOM 725 CG LEU A 47 13.529 29.098 4.414 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.988 29.067 3.958 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.394 30.081 5.578 1.00 0.00 C ATOM 0 H LEU A 47 11.587 27.790 4.732 1.00 0.00 H new ATOM 0 HA LEU A 47 11.031 30.363 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.754 28.866 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.941 30.535 2.911 1.00 0.00 H new ATOM 0 HG LEU A 47 13.221 28.103 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.621 28.748 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.095 28.368 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.289 30.063 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.031 29.759 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.699 31.075 5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.357 30.110 5.911 1.00 0.00 H new ATOM 739 N ASP A 48 10.244 28.911 1.558 1.00 0.00 N ATOM 740 CA ASP A 48 9.462 29.056 0.326 1.00 0.00 C ATOM 741 C ASP A 48 7.950 29.188 0.566 1.00 0.00 C ATOM 742 O ASP A 48 7.343 30.184 0.149 1.00 0.00 O ATOM 743 CB ASP A 48 9.719 27.850 -0.577 1.00 0.00 C ATOM 744 CG ASP A 48 11.149 27.891 -1.102 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.577 28.958 -1.512 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 11.791 26.855 -1.092 1.00 0.00 O ATOM 0 H ASP A 48 10.754 28.030 1.629 1.00 0.00 H new ATOM 0 HA ASP A 48 9.789 29.984 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.552 26.927 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.016 27.852 -1.410 1.00 0.00 H new ATOM 751 N LEU A 49 7.332 28.194 1.210 1.00 0.00 N ATOM 752 CA LEU A 49 5.884 28.270 1.436 1.00 0.00 C ATOM 753 C LEU A 49 5.562 29.440 2.356 1.00 0.00 C ATOM 754 O LEU A 49 4.567 30.137 2.165 1.00 0.00 O ATOM 755 CB LEU A 49 5.332 26.974 2.039 1.00 0.00 C ATOM 756 CG LEU A 49 5.847 25.772 1.246 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.257 24.484 1.829 1.00 0.00 C ATOM 758 CD2 LEU A 49 5.421 25.913 -0.218 1.00 0.00 C ATOM 0 H LEU A 49 7.789 27.357 1.572 1.00 0.00 H new ATOM 0 HA LEU A 49 5.407 28.418 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.636 26.890 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.242 26.991 2.024 1.00 0.00 H new ATOM 0 HG LEU A 49 6.934 25.731 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.624 23.627 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.557 24.386 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.169 24.521 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.786 25.058 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.333 25.951 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.840 26.830 -0.632 1.00 0.00 H new ATOM 770 N LEU A 50 6.401 29.634 3.366 1.00 0.00 N ATOM 771 CA LEU A 50 6.182 30.713 4.317 1.00 0.00 C ATOM 772 C LEU A 50 6.147 32.046 3.580 1.00 0.00 C ATOM 773 O LEU A 50 5.295 32.890 3.851 1.00 0.00 O ATOM 774 CB LEU A 50 7.313 30.736 5.345 1.00 0.00 C ATOM 775 CG LEU A 50 6.853 31.438 6.629 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.971 31.370 7.664 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.534 32.906 6.340 1.00 0.00 C ATOM 0 H LEU A 50 7.229 29.066 3.546 1.00 0.00 H new ATOM 0 HA LEU A 50 5.232 30.551 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.627 29.717 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.179 31.252 4.931 1.00 0.00 H new ATOM 0 HG LEU A 50 5.959 30.942 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.650 31.867 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.204 30.327 7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.859 31.867 7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.208 33.395 7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.426 33.404 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.740 32.966 5.596 1.00 0.00 H new ATOM 789 N HIS A 51 7.076 32.233 2.645 1.00 0.00 N ATOM 790 CA HIS A 51 7.142 33.470 1.882 1.00 0.00 C ATOM 791 C HIS A 51 5.830 33.729 1.158 1.00 0.00 C ATOM 792 O HIS A 51 5.297 34.835 1.215 1.00 0.00 O ATOM 793 CB HIS A 51 8.279 33.387 0.865 1.00 0.00 C ATOM 794 CG HIS A 51 9.588 33.302 1.593 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.757 33.831 2.860 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.805 32.772 1.243 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.031 33.612 3.226 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.715 32.969 2.277 1.00 0.00 N ATOM 0 H HIS A 51 7.789 31.545 2.401 1.00 0.00 H new ATOM 0 HA HIS A 51 7.326 34.292 2.573 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.148 32.514 0.226 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.267 34.262 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.023 32.278 0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.451 33.919 4.173 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.694 32.684 2.304 1.00 0.00 H new ATOM 807 N LYS A 52 5.313 32.712 0.475 1.00 0.00 N ATOM 808 CA LYS A 52 4.057 32.878 -0.248 1.00 0.00 C ATOM 809 C LYS A 52 2.953 33.270 0.731 1.00 0.00 C ATOM 810 O LYS A 52 2.179 34.196 0.480 1.00 0.00 O ATOM 811 CB LYS A 52 3.679 31.578 -0.962 1.00 0.00 C ATOM 812 CG LYS A 52 4.735 31.242 -2.018 1.00 0.00 C ATOM 813 CD LYS A 52 4.270 30.027 -2.828 1.00 0.00 C ATOM 814 CE LYS A 52 5.402 29.539 -3.740 1.00 0.00 C ATOM 815 NZ LYS A 52 6.376 30.642 -3.980 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.733 31.785 0.407 1.00 0.00 H new ATOM 0 HA LYS A 52 4.178 33.664 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.601 30.765 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.701 31.681 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.891 32.096 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.691 31.030 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.964 29.226 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.398 30.291 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.908 28.689 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.992 29.192 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.073 30.341 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.870 31.483 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.865 30.873 -3.092 1.00 0.00 H new ATOM 829 N TRP A 53 2.894 32.555 1.853 1.00 0.00 N ATOM 830 CA TRP A 53 1.893 32.819 2.887 1.00 0.00 C ATOM 831 C TRP A 53 2.007 34.255 3.396 1.00 0.00 C ATOM 832 O TRP A 53 1.033 35.007 3.405 1.00 0.00 O ATOM 833 CB TRP A 53 2.140 31.848 4.047 1.00 0.00 C ATOM 834 CG TRP A 53 0.981 31.806 4.994 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.097 30.994 4.873 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.784 32.563 6.222 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.938 31.203 5.952 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.439 32.162 6.810 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.541 33.550 6.878 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.891 32.716 8.008 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.088 34.111 8.085 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.126 33.694 8.649 1.00 0.00 C ATOM 0 H TRP A 53 3.529 31.787 2.070 1.00 0.00 H new ATOM 0 HA TRP A 53 0.895 32.682 2.471 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.323 30.849 3.652 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.039 32.147 4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.271 30.297 4.066 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.819 30.709 6.096 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.477 33.879 6.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.827 32.391 8.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.679 34.867 8.581 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.469 34.128 9.577 1.00 0.00 H new ATOM 853 N LEU A 54 3.202 34.617 3.845 1.00 0.00 N ATOM 854 CA LEU A 54 3.423 35.954 4.386 1.00 0.00 C ATOM 855 C LEU A 54 3.016 37.030 3.379 1.00 0.00 C ATOM 856 O LEU A 54 2.308 37.973 3.727 1.00 0.00 O ATOM 857 CB LEU A 54 4.898 36.148 4.754 1.00 0.00 C ATOM 858 CG LEU A 54 5.048 37.436 5.564 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.643 37.176 7.013 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.499 37.912 5.517 1.00 0.00 C ATOM 0 H LEU A 54 4.024 34.013 3.846 1.00 0.00 H new ATOM 0 HA LEU A 54 2.806 36.051 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.256 35.296 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.507 36.199 3.851 1.00 0.00 H new ATOM 0 HG LEU A 54 4.404 38.206 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.750 38.094 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.605 36.845 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.285 36.404 7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.600 38.830 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.148 37.144 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.786 38.102 4.483 1.00 0.00 H new ATOM 872 N ASP A 55 3.481 36.896 2.139 1.00 0.00 N ATOM 873 CA ASP A 55 3.169 37.882 1.106 1.00 0.00 C ATOM 874 C ASP A 55 1.665 38.065 0.938 1.00 0.00 C ATOM 875 O ASP A 55 1.174 39.191 0.880 1.00 0.00 O ATOM 876 CB ASP A 55 3.773 37.439 -0.228 1.00 0.00 C ATOM 877 CG ASP A 55 5.292 37.363 -0.110 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.845 38.141 0.651 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.877 36.525 -0.775 1.00 0.00 O1- ATOM 0 H ASP A 55 4.069 36.123 1.827 1.00 0.00 H new ATOM 0 HA ASP A 55 3.596 38.835 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.373 36.466 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.495 38.141 -1.014 1.00 0.00 H new ATOM 884 N ARG A 56 0.934 36.959 0.862 1.00 0.00 N ATOM 885 CA ARG A 56 -0.513 37.027 0.704 1.00 0.00 C ATOM 886 C ARG A 56 -1.147 37.665 1.933 1.00 0.00 C ATOM 887 O ARG A 56 -2.195 38.307 1.846 1.00 0.00 O ATOM 888 CB ARG A 56 -1.085 35.624 0.495 1.00 0.00 C ATOM 889 CG ARG A 56 -2.513 35.724 -0.053 1.00 0.00 C ATOM 890 CD ARG A 56 -3.515 35.850 1.100 1.00 0.00 C ATOM 891 NE ARG A 56 -4.290 34.620 1.237 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.512 34.629 1.764 1.00 0.00 C ATOM 893 NH1 ARG A 56 -6.039 35.750 2.177 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.182 33.516 1.873 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.315 36.014 0.907 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.740 37.638 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.457 35.065 -0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.084 35.077 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.597 36.587 -0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.744 34.842 -0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.985 36.059 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.184 36.691 0.918 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.887 33.737 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.514 36.621 2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.976 35.755 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.770 32.639 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.119 33.522 2.277 1.00 0.00 H new ATOM 908 N HIS A 57 -0.501 37.473 3.077 1.00 0.00 N ATOM 909 CA HIS A 57 -0.997 38.015 4.334 1.00 0.00 C ATOM 910 C HIS A 57 -0.186 39.236 4.773 1.00 0.00 C ATOM 911 O HIS A 57 -0.349 39.719 5.892 1.00 0.00 O ATOM 912 CB HIS A 57 -0.907 36.944 5.429 1.00 0.00 C ATOM 913 CG HIS A 57 -1.669 35.711 5.026 1.00 0.00 C ATOM 914 ND1 HIS A 57 -1.266 34.902 3.974 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.790 35.115 5.548 1.00 0.00 C ATOM 916 CE1 HIS A 57 -2.131 33.872 3.901 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.078 33.953 4.838 1.00 0.00 N ATOM 0 H HIS A 57 0.368 36.945 3.159 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.033 38.318 4.181 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.137 36.690 5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.308 37.337 6.364 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.462 35.058 3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.362 35.491 6.383 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.066 33.077 3.173 1.00 0.00 H new ATOM 926 N ARG A 58 0.687 39.739 3.902 1.00 0.00 N ATOM 927 CA ARG A 58 1.497 40.900 4.246 1.00 0.00 C ATOM 928 C ARG A 58 0.615 42.060 4.705 1.00 0.00 C ATOM 929 O ARG A 58 0.978 42.812 5.609 1.00 0.00 O ATOM 930 CB ARG A 58 2.323 41.328 3.041 1.00 0.00 C ATOM 931 CG ARG A 58 1.404 41.935 1.987 1.00 0.00 C ATOM 932 CD ARG A 58 2.193 42.112 0.693 1.00 0.00 C ATOM 933 NE ARG A 58 3.407 42.882 0.951 1.00 0.00 N ATOM 934 CZ ARG A 58 4.496 42.719 0.208 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.487 41.876 -0.788 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.577 43.403 0.468 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.849 39.366 2.967 1.00 0.00 H new ATOM 0 HA ARG A 58 2.162 40.626 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.078 42.054 3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.853 40.471 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.543 41.288 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.019 42.896 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.451 41.138 0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.580 42.622 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 58 3.419 43.557 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.643 41.342 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.324 41.751 -1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.587 44.065 1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.411 43.275 -0.105 1.00 0.00 H new ATOM 950 N ASP A 59 -0.546 42.192 4.073 1.00 0.00 N ATOM 951 CA ASP A 59 -1.479 43.261 4.415 1.00 0.00 C ATOM 952 C ASP A 59 -1.891 43.171 5.883 1.00 0.00 C ATOM 953 O ASP A 59 -2.125 44.187 6.537 1.00 0.00 O ATOM 954 CB ASP A 59 -2.722 43.174 3.528 1.00 0.00 C ATOM 955 CG ASP A 59 -2.353 43.505 2.087 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.282 44.054 1.883 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -3.146 43.208 1.208 1.00 0.00 O ATOM 0 H ASP A 59 -0.863 41.576 3.325 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.980 44.216 4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.149 42.173 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.484 43.866 3.886 1.00 0.00 H new ATOM 962 N MET A 60 -1.980 41.948 6.390 1.00 0.00 N ATOM 963 CA MET A 60 -2.371 41.726 7.778 1.00 0.00 C ATOM 964 C MET A 60 -1.427 42.445 8.744 1.00 0.00 C ATOM 965 O MET A 60 -1.816 42.793 9.854 1.00 0.00 O ATOM 966 CB MET A 60 -2.373 40.224 8.076 1.00 0.00 C ATOM 967 CG MET A 60 -0.944 39.736 8.342 1.00 0.00 C ATOM 968 SD MET A 60 -0.704 39.495 10.120 1.00 0.00 S ATOM 969 CE MET A 60 -1.316 37.793 10.207 1.00 0.00 C ATOM 0 H MET A 60 -1.787 41.096 5.863 1.00 0.00 H new ATOM 0 HA MET A 60 -3.372 42.133 7.920 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.003 40.018 8.942 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.801 39.679 7.234 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.764 38.801 7.811 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.225 40.462 7.963 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.788 37.625 11.175 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.045 37.628 9.414 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.483 37.100 10.084 1.00 0.00 H new ATOM 979 N CYS A 61 -0.188 42.647 8.315 1.00 0.00 N ATOM 980 CA CYS A 61 0.826 43.298 9.145 1.00 0.00 C ATOM 981 C CYS A 61 0.444 44.733 9.517 1.00 0.00 C ATOM 982 O CYS A 61 0.884 45.249 10.544 1.00 0.00 O ATOM 983 CB CYS A 61 2.156 43.317 8.392 1.00 0.00 C ATOM 984 SG CYS A 61 2.146 44.671 7.190 1.00 0.00 S ATOM 0 H CYS A 61 0.144 42.369 7.392 1.00 0.00 H new ATOM 0 HA CYS A 61 0.908 42.727 10.070 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.981 43.444 9.092 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.313 42.366 7.884 1.00 0.00 H new ATOM 0 HG CYS A 61 1.611 44.261 6.079 1.00 0.00 H new ATOM 990 N GLU A 62 -0.343 45.378 8.673 1.00 0.00 N ATOM 991 CA GLU A 62 -0.740 46.762 8.917 1.00 0.00 C ATOM 992 C GLU A 62 -1.742 46.866 10.063 1.00 0.00 C ATOM 993 O GLU A 62 -2.003 47.960 10.565 1.00 0.00 O ATOM 994 CB GLU A 62 -1.388 47.346 7.661 1.00 0.00 C ATOM 995 CG GLU A 62 -0.448 47.185 6.468 1.00 0.00 C ATOM 996 CD GLU A 62 0.807 48.021 6.679 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.809 48.831 7.590 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 1.750 47.838 5.927 1.00 0.00 O ATOM 0 H GLU A 62 -0.720 44.972 7.816 1.00 0.00 H new ATOM 0 HA GLU A 62 0.161 47.316 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.333 46.842 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.616 48.401 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.180 46.136 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.952 47.495 5.553 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.319 45.741 10.463 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.309 45.747 11.533 1.00 0.00 C ATOM 1007 C LYS A 63 -2.658 45.629 12.912 1.00 0.00 C ATOM 1008 O LYS A 63 -3.324 45.275 13.883 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.298 44.600 11.318 1.00 0.00 C ATOM 1010 CG LYS A 63 -5.068 44.828 10.015 1.00 0.00 C ATOM 1011 CD LYS A 63 -6.110 43.723 9.838 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.849 43.926 8.514 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.106 44.907 7.671 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.122 44.821 10.068 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.835 46.701 11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.766 43.650 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.991 44.541 12.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.556 45.803 10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.380 44.832 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.626 42.747 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.817 43.739 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.941 42.976 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.861 44.286 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.572 44.993 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.099 45.834 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.128 44.579 7.537 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.369 45.953 13.008 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.691 45.894 14.303 1.00 0.00 C ATOM 1029 C TRP A 64 0.681 46.550 14.262 1.00 0.00 C ATOM 1030 O TRP A 64 0.988 47.404 15.095 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.533 44.450 14.774 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.889 43.518 13.673 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.183 43.357 12.533 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.022 42.613 13.587 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.795 42.391 11.767 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.944 41.912 12.366 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.099 42.337 14.447 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.900 40.967 12.006 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.065 41.387 14.087 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.965 40.704 12.867 1.00 0.00 C ATOM 0 H TRP A 64 -0.785 46.252 12.227 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.320 46.444 15.003 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.494 44.273 15.095 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.172 44.268 15.638 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.714 43.897 12.266 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.443 42.068 10.866 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.183 42.859 15.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.818 40.441 11.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.890 41.180 14.753 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.713 39.974 12.594 1.00 0.00 H new ATOM 1051 N LYS A 65 1.521 46.131 13.321 1.00 0.00 N ATOM 1052 CA LYS A 65 2.866 46.683 13.245 1.00 0.00 C ATOM 1053 C LYS A 65 3.523 46.552 14.622 1.00 0.00 C ATOM 1054 O LYS A 65 4.577 47.127 14.886 1.00 0.00 O ATOM 1055 CB LYS A 65 2.800 48.156 12.834 1.00 0.00 C ATOM 1056 CG LYS A 65 4.188 48.644 12.416 1.00 0.00 C ATOM 1057 CD LYS A 65 4.111 50.125 12.037 1.00 0.00 C ATOM 1058 CE LYS A 65 4.034 50.978 13.304 1.00 0.00 C ATOM 1059 NZ LYS A 65 2.618 51.060 13.758 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.301 45.427 12.616 1.00 0.00 H new ATOM 0 HA LYS A 65 3.451 46.142 12.502 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.098 48.281 12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.428 48.757 13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.897 48.502 13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.553 48.059 11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.986 50.406 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.236 50.305 11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.654 50.543 14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.423 51.977 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.410 52.029 14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.986 50.810 12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.467 50.398 14.546 1.00 0.00 H new ATOM 1073 N SER A 66 2.859 45.796 15.496 1.00 0.00 N ATOM 1074 CA SER A 66 3.335 45.582 16.863 1.00 0.00 C ATOM 1075 C SER A 66 4.317 44.409 16.954 1.00 0.00 C ATOM 1076 O SER A 66 4.687 43.979 18.050 1.00 0.00 O ATOM 1077 CB SER A 66 2.144 45.338 17.786 1.00 0.00 C ATOM 1078 OG SER A 66 1.305 44.349 17.206 1.00 0.00 O ATOM 0 H SER A 66 1.984 45.319 15.280 1.00 0.00 H new ATOM 0 HA SER A 66 3.870 46.479 17.174 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.489 45.011 18.767 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.588 46.263 17.935 1.00 0.00 H new ATOM 0 HG SER A 66 0.375 44.516 17.466 1.00 0.00 H new ATOM 1084 N LYS A 67 4.750 43.916 15.799 1.00 0.00 N ATOM 1085 CA LYS A 67 5.721 42.821 15.739 1.00 0.00 C ATOM 1086 C LYS A 67 5.364 41.633 16.637 1.00 0.00 C ATOM 1087 O LYS A 67 4.861 40.615 16.162 1.00 0.00 O ATOM 1088 CB LYS A 67 7.100 43.359 16.138 1.00 0.00 C ATOM 1089 CG LYS A 67 8.117 42.214 16.248 1.00 0.00 C ATOM 1090 CD LYS A 67 8.424 41.653 14.860 1.00 0.00 C ATOM 1091 CE LYS A 67 9.482 40.557 14.989 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.803 40.348 16.431 1.00 0.00 N1+ ATOM 0 H LYS A 67 4.445 44.256 14.887 1.00 0.00 H new ATOM 0 HA LYS A 67 5.717 42.449 14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.440 44.085 15.400 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.030 43.883 17.091 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.034 42.574 16.715 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.722 41.426 16.889 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.518 41.250 14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.782 42.446 14.204 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.117 39.630 14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.382 40.838 14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.510 39.591 16.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.184 41.228 16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.939 40.079 16.943 1.00 0.00 H new ATOM 1106 N GLU A 68 5.670 41.745 17.927 1.00 0.00 N ATOM 1107 CA GLU A 68 5.411 40.639 18.843 1.00 0.00 C ATOM 1108 C GLU A 68 3.946 40.259 18.826 1.00 0.00 C ATOM 1109 O GLU A 68 3.604 39.076 18.862 1.00 0.00 O ATOM 1110 CB GLU A 68 5.817 41.011 20.267 1.00 0.00 C ATOM 1111 CG GLU A 68 5.613 39.794 21.177 1.00 0.00 C ATOM 1112 CD GLU A 68 5.882 40.175 22.628 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.226 41.322 22.866 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 5.742 39.314 23.481 1.00 0.00 O ATOM 0 H GLU A 68 6.088 42.571 18.354 1.00 0.00 H new ATOM 0 HA GLU A 68 6.006 39.788 18.510 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.859 41.329 20.291 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.220 41.851 20.622 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.595 39.420 21.074 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.281 38.988 20.875 1.00 0.00 H new ATOM 1121 N ASP A 69 3.075 41.252 18.753 1.00 0.00 N ATOM 1122 CA ASP A 69 1.655 40.958 18.714 1.00 0.00 C ATOM 1123 C ASP A 69 1.362 40.138 17.468 1.00 0.00 C ATOM 1124 O ASP A 69 0.592 39.183 17.503 1.00 0.00 O ATOM 1125 CB ASP A 69 0.838 42.247 18.687 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.342 42.142 19.646 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -1.047 41.149 19.580 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -0.527 43.059 20.432 1.00 0.00 O ATOM 0 H ASP A 69 3.318 42.242 18.720 1.00 0.00 H new ATOM 0 HA ASP A 69 1.378 40.398 19.607 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.468 43.092 18.965 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.478 42.437 17.676 1.00 0.00 H new ATOM 1133 N ILE A 70 2.000 40.525 16.371 1.00 0.00 N ATOM 1134 CA ILE A 70 1.824 39.835 15.102 1.00 0.00 C ATOM 1135 C ILE A 70 2.238 38.377 15.228 1.00 0.00 C ATOM 1136 O ILE A 70 1.542 37.485 14.747 1.00 0.00 O ATOM 1137 CB ILE A 70 2.674 40.511 14.029 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.380 42.007 14.039 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.314 39.936 12.656 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.206 42.705 12.958 1.00 0.00 C ATOM 0 H ILE A 70 2.645 41.315 16.336 1.00 0.00 H new ATOM 0 HA ILE A 70 0.771 39.881 14.823 1.00 0.00 H new ATOM 0 HB ILE A 70 3.731 40.336 14.230 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.318 42.179 13.866 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.616 42.427 15.017 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.920 40.418 11.889 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.506 38.863 12.649 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.259 40.117 12.451 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.992 43.774 12.970 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.267 42.545 13.151 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.949 42.294 11.982 1.00 0.00 H new ATOM 1152 N LEU A 71 3.369 38.143 15.884 1.00 0.00 N ATOM 1153 CA LEU A 71 3.856 36.787 16.068 1.00 0.00 C ATOM 1154 C LEU A 71 2.804 35.945 16.765 1.00 0.00 C ATOM 1155 O LEU A 71 2.576 34.792 16.402 1.00 0.00 O ATOM 1156 CB LEU A 71 5.132 36.802 16.908 1.00 0.00 C ATOM 1157 CG LEU A 71 6.243 37.529 16.153 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.545 37.424 16.947 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.432 36.883 14.779 1.00 0.00 C ATOM 0 H LEU A 71 3.958 38.868 16.292 1.00 0.00 H new ATOM 0 HA LEU A 71 4.070 36.357 15.090 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.944 37.296 17.861 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.441 35.781 17.134 1.00 0.00 H new ATOM 0 HG LEU A 71 5.974 38.578 16.027 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.341 37.942 16.411 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.411 37.881 17.928 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.813 36.375 17.069 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.225 37.401 14.239 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.703 35.835 14.904 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.503 36.952 14.213 1.00 0.00 H new ATOM 1171 N HIS A 72 2.158 36.532 17.761 1.00 0.00 N ATOM 1172 CA HIS A 72 1.123 35.821 18.493 1.00 0.00 C ATOM 1173 C HIS A 72 -0.023 35.460 17.553 1.00 0.00 C ATOM 1174 O HIS A 72 -0.537 34.343 17.593 1.00 0.00 O ATOM 1175 CB HIS A 72 0.601 36.677 19.648 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.319 35.845 20.498 1.00 0.00 C ATOM 1177 ND1 HIS A 72 0.130 34.745 21.213 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.666 35.932 20.750 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -0.928 34.216 21.853 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.048 34.901 21.606 1.00 0.00 N ATOM 0 H HIS A 72 2.329 37.486 18.077 1.00 0.00 H new ATOM 0 HA HIS A 72 1.551 34.907 18.904 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.433 37.049 20.246 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.072 37.548 19.262 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.328 36.684 20.347 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.878 33.344 22.489 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.983 34.710 21.967 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.418 36.409 16.707 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.504 36.166 15.761 1.00 0.00 C ATOM 1191 C LYS A 73 -1.118 35.057 14.788 1.00 0.00 C ATOM 1192 O LYS A 73 -1.865 34.099 14.604 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.830 37.439 14.973 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.148 38.588 15.936 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.212 38.152 16.942 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.775 39.389 17.640 1.00 0.00 C ATOM 1197 NZ LYS A 73 -2.664 40.129 18.303 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.008 37.342 16.657 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.384 35.863 16.328 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.986 37.709 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.680 37.261 14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.243 38.893 16.462 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.499 39.455 15.376 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.010 37.610 16.434 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.780 37.470 17.675 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.275 40.033 16.917 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.523 39.096 18.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.055 40.777 19.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.023 39.452 18.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.137 40.675 17.591 1.00 0.00 H new ATOM 1211 N LEU A 74 0.052 35.199 14.163 1.00 0.00 N ATOM 1212 CA LEU A 74 0.509 34.197 13.208 1.00 0.00 C ATOM 1213 C LEU A 74 0.539 32.816 13.856 1.00 0.00 C ATOM 1214 O LEU A 74 0.131 31.830 13.249 1.00 0.00 O ATOM 1215 CB LEU A 74 1.905 34.548 12.680 1.00 0.00 C ATOM 1216 CG LEU A 74 1.793 35.588 11.558 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.486 36.965 12.144 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.113 35.653 10.788 1.00 0.00 C ATOM 0 H LEU A 74 0.688 35.985 14.299 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.191 34.184 12.373 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.522 34.939 13.489 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.399 33.650 12.308 1.00 0.00 H new ATOM 0 HG LEU A 74 0.986 35.296 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.409 37.695 11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.543 36.926 12.690 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.287 37.258 12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.033 36.392 9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.917 35.937 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.331 34.676 10.357 1.00 0.00 H new ATOM 1230 N ASN A 75 1.020 32.751 15.093 1.00 0.00 N ATOM 1231 CA ASN A 75 1.093 31.480 15.805 1.00 0.00 C ATOM 1232 C ASN A 75 -0.288 30.831 15.931 1.00 0.00 C ATOM 1233 O ASN A 75 -0.441 29.629 15.704 1.00 0.00 O ATOM 1234 CB ASN A 75 1.674 31.715 17.200 1.00 0.00 C ATOM 1235 CG ASN A 75 3.107 32.224 17.089 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.757 32.037 16.060 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.639 32.864 18.092 1.00 0.00 N ATOM 0 H ASN A 75 1.362 33.555 15.619 1.00 0.00 H new ATOM 0 HA ASN A 75 1.734 30.806 15.237 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.063 32.438 17.740 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.652 30.788 17.773 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.596 33.211 18.026 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.099 33.018 18.943 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.283 31.631 16.305 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.644 31.126 16.476 1.00 0.00 C ATOM 1246 C GLU A 76 -3.239 30.617 15.160 1.00 0.00 C ATOM 1247 O GLU A 76 -3.892 29.571 15.125 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.534 32.237 17.035 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.214 32.459 18.515 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.131 33.535 19.089 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.952 34.043 18.344 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -3.995 33.837 20.263 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.174 32.627 16.495 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.599 30.286 17.170 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.375 33.159 16.476 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.584 31.969 16.916 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.341 31.528 19.067 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.172 32.758 18.630 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.988 31.337 14.075 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.503 30.913 12.775 1.00 0.00 C ATOM 1261 C GLN A 77 -2.670 29.761 12.230 1.00 0.00 C ATOM 1262 O GLN A 77 -3.188 28.874 11.553 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.521 32.077 11.782 1.00 0.00 C ATOM 1264 CG GLN A 77 -2.172 32.786 11.786 1.00 0.00 C ATOM 1265 CD GLN A 77 -2.320 34.170 11.164 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.060 35.180 11.820 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -2.733 34.279 9.930 1.00 0.00 N ATOM 0 H GLN A 77 -2.443 32.199 14.064 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.530 30.573 12.911 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.744 31.708 10.781 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.311 32.780 12.047 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.798 32.873 12.806 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.441 32.201 11.228 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.948 33.442 9.388 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.841 35.201 9.508 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.378 29.771 12.544 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.491 28.709 12.092 1.00 0.00 C ATOM 1278 C TRP A 78 -1.049 27.358 12.523 1.00 0.00 C ATOM 1279 O TRP A 78 -1.070 26.402 11.743 1.00 0.00 O ATOM 1280 CB TRP A 78 0.900 28.900 12.699 1.00 0.00 C ATOM 1281 CG TRP A 78 1.920 28.187 11.872 1.00 0.00 C ATOM 1282 CD1 TRP A 78 1.926 26.859 11.591 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.093 28.748 11.219 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.030 26.579 10.802 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.777 27.710 10.549 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.621 30.047 11.144 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 4.947 27.951 9.830 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.799 30.294 10.420 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.461 29.248 9.767 1.00 0.00 C ATOM 0 H TRP A 78 -0.927 30.495 13.104 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.418 28.744 11.005 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.140 29.962 12.752 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.916 28.518 13.720 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.193 26.141 11.926 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.262 25.650 10.451 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.119 30.861 11.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.452 27.141 9.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.196 31.297 10.367 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.368 29.444 9.215 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.500 27.288 13.773 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.061 26.052 14.310 1.00 0.00 C ATOM 1302 C ASN A 79 -3.416 25.747 13.671 1.00 0.00 C ATOM 1303 O ASN A 79 -3.713 24.596 13.345 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.224 26.170 15.827 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.860 26.375 16.480 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.173 26.199 15.833 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.793 26.731 17.735 1.00 0.00 N ATOM 0 H ASN A 79 -1.488 28.068 14.430 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.376 25.236 14.079 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.881 27.006 16.067 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.695 25.270 16.222 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.115 26.863 18.180 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.649 26.877 18.270 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.236 26.781 13.499 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.561 26.604 12.905 1.00 0.00 C ATOM 1316 C LYS A 80 -5.481 26.579 11.379 1.00 0.00 C ATOM 1317 O LYS A 80 -6.503 26.480 10.696 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.473 27.749 13.336 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.620 27.748 14.858 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.620 28.831 15.270 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.018 30.216 15.016 1.00 0.00 C ATOM 1322 NZ LYS A 80 -7.119 30.549 13.566 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.011 27.741 13.759 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.963 25.651 13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.060 28.701 13.002 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.451 27.644 12.867 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.962 26.772 15.201 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.654 27.931 15.328 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.546 28.718 14.706 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.874 28.722 16.324 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.543 30.966 15.609 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.975 30.233 15.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.341 31.559 13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.214 30.341 13.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.873 29.980 13.131 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.267 26.677 10.853 1.00 0.00 N ATOM 1337 CA ASP A 81 -4.068 26.674 9.408 1.00 0.00 C ATOM 1338 C ASP A 81 -4.533 25.354 8.798 1.00 0.00 C ATOM 1339 O ASP A 81 -4.346 24.329 9.435 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.591 26.899 9.083 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.434 27.245 7.607 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -3.433 27.576 6.991 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -1.321 27.175 7.115 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -5.070 25.387 7.703 1.00 0.00 O ATOM 0 H ASP A 81 -3.410 26.759 11.400 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.661 27.482 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.192 27.705 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.017 26.003 9.319 1.00 0.00 H new TER 1349 ASP A 81