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 18 LYS NZ :NH3+ -167:sc= -0.0349 (180deg=-0.151) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -4.38! K(o=-4.4!,f=-5.4) USER MOD Set 2.1: A 30 GLN :FLIP amide:sc= -6.24! C(o=-19!,f=-12!) USER MOD Set 2.2: A 75 ASN :FLIP amide:sc= -6.19! C(o=-14!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= -0.386 (180deg=-1.57!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= -0.0483 (180deg=-0.0483) USER MOD Single : A 7 ASN : amide:sc= -3.85! C(o=-3.9!,f=-5.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 15 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.9!) USER MOD Single : A 16 GLN : amide:sc= -0.942! X(o=-0.94!,f=-0.45) USER MOD Single : A 19 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5.4!) USER MOD Single : A 23 SER OG : rot 80:sc= 1.07 USER MOD Single : A 28 ASN : amide:sc= -7.64! C(o=-7.6!,f=-11!) USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= 0.0472 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -43:sc= 1.05 USER MOD Single : A 39 ASN : amide:sc= -1.9! C(o=-1.9!,f=-5.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 127:sc= -1.45 (180deg=-2.42!) USER MOD Single : A 45 ASN : amide:sc= -0.946 X(o=-0.95,f=-0.52) USER MOD Single : A 46 GLN : amide:sc= -9.45! C(o=-9.4!,f=-18!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -110:sc= -0.158 (180deg=-0.955) USER MOD Single : A 61 CYS SG : rot -82:sc= -2.25! USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -2.12! (180deg=-2.55!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -146:sc= -1.35 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= -4.01! (180deg=-4.24!) USER MOD Single : A 72 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.32) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0.0986! (180deg=-0.553!) USER MOD Single : A 77 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -2.63 F(o=-6.9!,f=-2.6) USER MOD Single : A 80 LYS NZ :NH3+ 151:sc= -0.346 (180deg=-0.402) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.243 55.519 -6.087 1.00 0.00 N ATOM 2 CA GLY A 1 6.609 56.159 -4.899 1.00 0.00 C ATOM 3 C GLY A 1 5.495 57.091 -5.362 1.00 0.00 C ATOM 4 O GLY A 1 5.657 58.310 -5.390 1.00 0.00 O ATOM 0 H1 GLY A 1 7.386 54.506 -5.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.625 55.635 -6.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.161 55.969 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.207 55.396 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.354 56.718 -4.332 1.00 0.00 H new ATOM 10 N PRO A 2 4.375 56.531 -5.727 1.00 0.00 N ATOM 11 CA PRO A 2 3.192 57.309 -6.210 1.00 0.00 C ATOM 12 C PRO A 2 2.715 58.356 -5.201 1.00 0.00 C ATOM 13 O PRO A 2 1.677 58.985 -5.397 1.00 0.00 O ATOM 14 CB PRO A 2 2.115 56.244 -6.443 1.00 0.00 C ATOM 15 CG PRO A 2 2.859 54.958 -6.590 1.00 0.00 C ATOM 16 CD PRO A 2 4.108 55.087 -5.723 1.00 0.00 C ATOM 0 HA PRO A 2 3.433 57.882 -7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.417 56.201 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.530 56.465 -7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.247 54.115 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.125 54.779 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.937 54.712 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.944 54.522 -6.136 1.00 0.00 H new ATOM 24 N LEU A 3 3.481 58.546 -4.131 1.00 0.00 N ATOM 25 CA LEU A 3 3.125 59.531 -3.114 1.00 0.00 C ATOM 26 C LEU A 3 1.848 59.131 -2.382 1.00 0.00 C ATOM 27 O LEU A 3 1.411 57.982 -2.448 1.00 0.00 O ATOM 28 CB LEU A 3 2.920 60.896 -3.771 1.00 0.00 C ATOM 29 CG LEU A 3 3.508 61.990 -2.879 1.00 0.00 C ATOM 30 CD1 LEU A 3 5.031 62.005 -3.027 1.00 0.00 C ATOM 31 CD2 LEU A 3 2.939 63.346 -3.302 1.00 0.00 C ATOM 0 H LEU A 3 4.345 58.036 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 3 3.939 59.580 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.399 60.915 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.857 61.077 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 3 3.248 61.794 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.451 62.785 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.435 61.037 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.294 62.204 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.356 64.129 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.201 63.542 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.854 63.334 -3.198 1.00 0.00 H new ATOM 43 N GLY A 4 1.255 60.093 -1.678 1.00 0.00 N ATOM 44 CA GLY A 4 0.029 59.840 -0.930 1.00 0.00 C ATOM 45 C GLY A 4 0.335 59.147 0.393 1.00 0.00 C ATOM 46 O GLY A 4 1.422 59.301 0.950 1.00 0.00 O ATOM 0 H GLY A 4 1.603 61.050 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.488 60.781 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.643 59.220 -1.523 1.00 0.00 H new ATOM 50 N SER A 5 -0.632 58.380 0.887 1.00 0.00 N ATOM 51 CA SER A 5 -0.461 57.660 2.144 1.00 0.00 C ATOM 52 C SER A 5 0.223 56.317 1.897 1.00 0.00 C ATOM 53 O SER A 5 0.409 55.524 2.820 1.00 0.00 O ATOM 54 CB SER A 5 -1.822 57.434 2.807 1.00 0.00 C ATOM 55 OG SER A 5 -1.923 58.257 3.961 1.00 0.00 O ATOM 0 H SER A 5 -1.538 58.241 0.439 1.00 0.00 H new ATOM 0 HA SER A 5 0.165 58.258 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.624 57.669 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.936 56.386 3.082 1.00 0.00 H new ATOM 0 HG SER A 5 -2.794 58.117 4.388 1.00 0.00 H new ATOM 61 N MET A 6 0.595 56.073 0.642 1.00 0.00 N ATOM 62 CA MET A 6 1.258 54.824 0.278 1.00 0.00 C ATOM 63 C MET A 6 2.580 54.677 1.022 1.00 0.00 C ATOM 64 O MET A 6 3.522 55.434 0.789 1.00 0.00 O ATOM 65 CB MET A 6 1.528 54.800 -1.227 1.00 0.00 C ATOM 66 CG MET A 6 0.205 54.726 -1.990 1.00 0.00 C ATOM 67 SD MET A 6 0.543 54.684 -3.768 1.00 0.00 S ATOM 68 CE MET A 6 -0.958 55.537 -4.313 1.00 0.00 C ATOM 0 H MET A 6 0.450 56.719 -0.134 1.00 0.00 H new ATOM 0 HA MET A 6 0.602 53.998 0.552 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.078 55.694 -1.521 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.153 53.943 -1.480 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.351 53.837 -1.692 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.417 55.587 -1.746 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.955 55.621 -5.400 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.834 54.971 -3.996 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.991 56.533 -3.872 1.00 0.00 H new ATOM 78 N ASN A 7 2.647 53.693 1.910 1.00 0.00 N ATOM 79 CA ASN A 7 3.866 53.451 2.671 1.00 0.00 C ATOM 80 C ASN A 7 4.017 51.970 2.998 1.00 0.00 C ATOM 81 O ASN A 7 4.369 51.616 4.120 1.00 0.00 O ATOM 82 CB ASN A 7 3.844 54.254 3.974 1.00 0.00 C ATOM 83 CG ASN A 7 3.824 55.748 3.673 1.00 0.00 C ATOM 84 OD1 ASN A 7 4.389 56.186 2.671 1.00 0.00 O ATOM 85 ND2 ASN A 7 3.203 56.560 4.484 1.00 0.00 N ATOM 0 H ASN A 7 1.879 53.055 2.120 1.00 0.00 H new ATOM 0 HA ASN A 7 4.711 53.767 2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.967 53.983 4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.719 54.009 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.185 57.561 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.736 56.194 5.313 1.00 0.00 H new ATOM 92 N LYS A 8 3.749 51.102 2.023 1.00 0.00 N ATOM 93 CA LYS A 8 3.870 49.670 2.267 1.00 0.00 C ATOM 94 C LYS A 8 5.319 49.295 2.545 1.00 0.00 C ATOM 95 O LYS A 8 6.226 50.114 2.393 1.00 0.00 O ATOM 96 CB LYS A 8 3.340 48.853 1.084 1.00 0.00 C ATOM 97 CG LYS A 8 4.128 49.186 -0.185 1.00 0.00 C ATOM 98 CD LYS A 8 3.857 48.114 -1.248 1.00 0.00 C ATOM 99 CE LYS A 8 2.388 48.169 -1.676 1.00 0.00 C ATOM 100 NZ LYS A 8 2.160 47.203 -2.788 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.454 51.358 1.081 1.00 0.00 H new ATOM 0 HA LYS A 8 3.265 49.435 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.422 47.788 1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.282 49.066 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.837 50.167 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.194 49.232 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.503 48.273 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.093 47.127 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.742 47.927 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.129 49.178 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.163 47.239 -3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.766 47.453 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.392 46.242 -2.466 1.00 0.00 H new ATOM 114 N PHE A 9 5.522 48.057 2.970 1.00 0.00 N ATOM 115 CA PHE A 9 6.857 47.574 3.292 1.00 0.00 C ATOM 116 C PHE A 9 7.634 47.217 2.033 1.00 0.00 C ATOM 117 O PHE A 9 7.086 46.647 1.089 1.00 0.00 O ATOM 118 CB PHE A 9 6.741 46.350 4.199 1.00 0.00 C ATOM 119 CG PHE A 9 6.222 46.797 5.543 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.070 47.482 6.420 1.00 0.00 C ATOM 121 CD2 PHE A 9 4.896 46.540 5.908 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.594 47.911 7.662 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.418 46.967 7.153 1.00 0.00 C ATOM 124 CZ PHE A 9 5.267 47.655 8.030 1.00 0.00 C ATOM 0 H PHE A 9 4.780 47.369 3.100 1.00 0.00 H new ATOM 0 HA PHE A 9 7.401 48.367 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.068 45.615 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.712 45.867 4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.093 47.679 6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.241 46.013 5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.249 48.440 8.338 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.396 46.766 7.437 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.898 47.988 8.989 1.00 0.00 H new ATOM 134 N THR A 10 8.919 47.562 2.027 1.00 0.00 N ATOM 135 CA THR A 10 9.762 47.277 0.874 1.00 0.00 C ATOM 136 C THR A 10 10.281 45.850 0.935 1.00 0.00 C ATOM 137 O THR A 10 10.246 45.208 1.985 1.00 0.00 O ATOM 138 CB THR A 10 10.939 48.254 0.820 1.00 0.00 C ATOM 139 OG1 THR A 10 11.644 48.211 2.051 1.00 0.00 O ATOM 140 CG2 THR A 10 10.419 49.670 0.572 1.00 0.00 C ATOM 0 H THR A 10 9.393 48.033 2.798 1.00 0.00 H new ATOM 0 HA THR A 10 9.160 47.396 -0.027 1.00 0.00 H new ATOM 0 HB THR A 10 11.610 47.972 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.399 48.835 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.258 50.364 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.881 49.699 -0.375 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.747 49.958 1.380 1.00 0.00 H new ATOM 148 N ASP A 11 10.750 45.349 -0.201 1.00 0.00 N ATOM 149 CA ASP A 11 11.259 43.989 -0.256 1.00 0.00 C ATOM 150 C ASP A 11 12.351 43.784 0.787 1.00 0.00 C ATOM 151 O ASP A 11 12.376 42.761 1.467 1.00 0.00 O ATOM 152 CB ASP A 11 11.815 43.703 -1.651 1.00 0.00 C ATOM 153 CG ASP A 11 10.688 43.759 -2.675 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.550 43.551 -2.284 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.974 44.015 -3.832 1.00 0.00 O1- ATOM 0 H ASP A 11 10.788 45.858 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 11 10.441 43.301 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.585 44.433 -1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.288 42.721 -1.670 1.00 0.00 H new ATOM 160 N ASP A 12 13.241 44.764 0.919 1.00 0.00 N ATOM 161 CA ASP A 12 14.320 44.666 1.896 1.00 0.00 C ATOM 162 C ASP A 12 13.751 44.576 3.306 1.00 0.00 C ATOM 163 O ASP A 12 14.181 43.751 4.112 1.00 0.00 O ATOM 164 CB ASP A 12 15.237 45.888 1.798 1.00 0.00 C ATOM 165 CG ASP A 12 16.093 45.806 0.539 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.016 44.798 -0.144 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.822 46.750 0.282 1.00 0.00 O1- ATOM 0 H ASP A 12 13.237 45.624 0.370 1.00 0.00 H new ATOM 0 HA ASP A 12 14.895 43.765 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.639 46.799 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.877 45.943 2.679 1.00 0.00 H new ATOM 172 N GLU A 13 12.773 45.426 3.589 1.00 0.00 N ATOM 173 CA GLU A 13 12.139 45.439 4.898 1.00 0.00 C ATOM 174 C GLU A 13 11.356 44.153 5.105 1.00 0.00 C ATOM 175 O GLU A 13 11.353 43.575 6.191 1.00 0.00 O ATOM 176 CB GLU A 13 11.212 46.648 4.987 1.00 0.00 C ATOM 177 CG GLU A 13 12.060 47.926 4.949 1.00 0.00 C ATOM 178 CD GLU A 13 11.170 49.153 5.113 1.00 0.00 C ATOM 179 OE1 GLU A 13 9.967 48.978 5.220 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.705 50.248 5.130 1.00 0.00 O1- ATOM 0 H GLU A 13 12.403 46.113 2.932 1.00 0.00 H new ATOM 0 HA GLU A 13 12.898 45.508 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.503 46.641 4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.629 46.609 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.806 47.900 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.602 47.984 4.005 1.00 0.00 H new ATOM 187 N TRP A 14 10.704 43.703 4.043 1.00 0.00 N ATOM 188 CA TRP A 14 9.934 42.481 4.099 1.00 0.00 C ATOM 189 C TRP A 14 10.871 41.322 4.400 1.00 0.00 C ATOM 190 O TRP A 14 10.605 40.499 5.274 1.00 0.00 O ATOM 191 CB TRP A 14 9.245 42.272 2.753 1.00 0.00 C ATOM 192 CG TRP A 14 7.988 41.490 2.933 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.687 40.353 2.274 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.857 41.774 3.805 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.434 39.921 2.675 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.883 40.765 3.620 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.580 42.804 4.725 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.678 40.777 4.325 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.370 42.816 5.436 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.422 41.807 5.236 1.00 0.00 C ATOM 0 H TRP A 14 10.696 44.169 3.136 1.00 0.00 H new ATOM 0 HA TRP A 14 9.178 42.539 4.882 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.020 43.237 2.298 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.914 41.747 2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.320 39.860 1.551 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.975 39.084 2.317 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.304 43.590 4.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.948 39.996 4.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.170 43.609 6.142 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.492 41.823 5.785 1.00 0.00 H new ATOM 211 N ASN A 15 11.977 41.267 3.664 1.00 0.00 N ATOM 212 CA ASN A 15 12.962 40.213 3.846 1.00 0.00 C ATOM 213 C ASN A 15 13.419 40.151 5.297 1.00 0.00 C ATOM 214 O ASN A 15 13.589 39.070 5.862 1.00 0.00 O ATOM 215 CB ASN A 15 14.158 40.496 2.941 1.00 0.00 C ATOM 216 CG ASN A 15 13.718 40.441 1.481 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.601 40.015 1.189 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.525 40.850 0.542 1.00 0.00 N ATOM 0 H ASN A 15 12.211 41.942 2.936 1.00 0.00 H new ATOM 0 HA ASN A 15 12.514 39.254 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.576 41.477 3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.945 39.764 3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.230 40.817 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.451 41.203 0.783 1.00 0.00 H new ATOM 225 N GLN A 16 13.594 41.315 5.901 1.00 0.00 N ATOM 226 CA GLN A 16 14.005 41.369 7.297 1.00 0.00 C ATOM 227 C GLN A 16 12.901 40.777 8.162 1.00 0.00 C ATOM 228 O GLN A 16 13.164 40.023 9.100 1.00 0.00 O ATOM 229 CB GLN A 16 14.283 42.814 7.706 1.00 0.00 C ATOM 230 CG GLN A 16 15.489 43.327 6.926 1.00 0.00 C ATOM 231 CD GLN A 16 15.466 44.847 6.865 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.510 45.512 7.899 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.387 45.439 5.706 1.00 0.00 N ATOM 0 H GLN A 16 13.461 42.223 5.456 1.00 0.00 H new ATOM 0 HA GLN A 16 14.920 40.792 7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.411 43.437 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.475 42.872 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.410 42.989 7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.481 42.915 5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.351 44.884 4.851 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.361 46.457 5.654 1.00 0.00 H new ATOM 242 N LEU A 17 11.663 41.130 7.834 1.00 0.00 N ATOM 243 CA LEU A 17 10.516 40.632 8.580 1.00 0.00 C ATOM 244 C LEU A 17 10.477 39.110 8.535 1.00 0.00 C ATOM 245 O LEU A 17 10.147 38.459 9.526 1.00 0.00 O ATOM 246 CB LEU A 17 9.220 41.185 7.986 1.00 0.00 C ATOM 247 CG LEU A 17 8.045 40.765 8.869 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.191 41.397 10.252 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.734 41.235 8.239 1.00 0.00 C ATOM 0 H LEU A 17 11.430 41.755 7.062 1.00 0.00 H new ATOM 0 HA LEU A 17 10.611 40.961 9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.271 42.272 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.081 40.810 6.972 1.00 0.00 H new ATOM 0 HG LEU A 17 8.038 39.679 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.352 41.096 10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.123 41.064 10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.202 42.483 10.157 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.898 40.934 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.745 42.321 8.144 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.623 40.786 7.252 1.00 0.00 H new ATOM 261 N LYS A 18 10.816 38.547 7.379 1.00 0.00 N ATOM 262 CA LYS A 18 10.817 37.099 7.214 1.00 0.00 C ATOM 263 C LYS A 18 11.792 36.444 8.187 1.00 0.00 C ATOM 264 O LYS A 18 11.441 35.480 8.863 1.00 0.00 O ATOM 265 CB LYS A 18 11.208 36.742 5.779 1.00 0.00 C ATOM 266 CG LYS A 18 10.168 37.309 4.810 1.00 0.00 C ATOM 267 CD LYS A 18 10.559 36.933 3.383 1.00 0.00 C ATOM 268 CE LYS A 18 9.654 37.654 2.386 1.00 0.00 C ATOM 269 NZ LYS A 18 9.146 36.668 1.394 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.092 39.069 6.547 1.00 0.00 H new ATOM 0 HA LYS A 18 9.814 36.728 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.194 37.146 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.273 35.660 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.180 36.914 5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.111 38.393 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.600 37.199 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.477 35.855 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.822 38.127 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.206 38.446 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.715 37.172 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.934 36.083 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.433 36.059 1.844 1.00 0.00 H new ATOM 283 N GLN A 19 13.013 36.969 8.266 1.00 0.00 N ATOM 284 CA GLN A 19 13.998 36.400 9.177 1.00 0.00 C ATOM 285 C GLN A 19 13.481 36.472 10.606 1.00 0.00 C ATOM 286 O GLN A 19 13.612 35.516 11.369 1.00 0.00 O ATOM 287 CB GLN A 19 15.334 37.148 9.076 1.00 0.00 C ATOM 288 CG GLN A 19 16.162 36.568 7.928 1.00 0.00 C ATOM 289 CD GLN A 19 15.354 36.591 6.638 1.00 0.00 C ATOM 290 OE1 GLN A 19 15.276 37.622 5.970 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.738 35.510 6.250 1.00 0.00 N ATOM 0 H GLN A 19 13.337 37.769 7.723 1.00 0.00 H new ATOM 0 HA GLN A 19 14.161 35.359 8.898 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.156 38.210 8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.883 37.061 10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.079 37.144 7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.458 35.546 8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.805 34.657 6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.189 35.516 5.390 1.00 0.00 H new ATOM 300 N ASP A 20 12.902 37.613 10.965 1.00 0.00 N ATOM 301 CA ASP A 20 12.378 37.802 12.307 1.00 0.00 C ATOM 302 C ASP A 20 11.307 36.767 12.623 1.00 0.00 C ATOM 303 O ASP A 20 11.291 36.193 13.710 1.00 0.00 O ATOM 304 CB ASP A 20 11.779 39.203 12.420 1.00 0.00 C ATOM 305 CG ASP A 20 12.864 40.244 12.178 1.00 0.00 C ATOM 306 OD1 ASP A 20 14.022 39.923 12.393 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.524 41.345 11.779 1.00 0.00 O ATOM 0 H ASP A 20 12.785 38.416 10.346 1.00 0.00 H new ATOM 0 HA ASP A 20 13.194 37.683 13.020 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.975 39.325 11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.340 39.343 13.408 1.00 0.00 H new ATOM 312 N PHE A 21 10.415 36.527 11.669 1.00 0.00 N ATOM 313 CA PHE A 21 9.352 35.554 11.873 1.00 0.00 C ATOM 314 C PHE A 21 9.933 34.148 11.942 1.00 0.00 C ATOM 315 O PHE A 21 9.605 33.372 12.836 1.00 0.00 O ATOM 316 CB PHE A 21 8.335 35.638 10.732 1.00 0.00 C ATOM 317 CG PHE A 21 7.438 36.847 10.912 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.838 37.923 11.722 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.198 36.888 10.265 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.997 39.029 11.881 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.358 37.996 10.427 1.00 0.00 C ATOM 322 CZ PHE A 21 5.757 39.066 11.234 1.00 0.00 C ATOM 0 H PHE A 21 10.407 36.987 10.758 1.00 0.00 H new ATOM 0 HA PHE A 21 8.851 35.778 12.815 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.855 35.702 9.776 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.732 34.730 10.706 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.795 37.896 12.222 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.889 36.064 9.640 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.305 39.856 12.504 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.401 38.024 9.928 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.108 39.921 11.358 1.00 0.00 H new ATOM 332 N ILE A 22 10.814 33.835 11.001 1.00 0.00 N ATOM 333 CA ILE A 22 11.442 32.519 10.972 1.00 0.00 C ATOM 334 C ILE A 22 12.141 32.252 12.296 1.00 0.00 C ATOM 335 O ILE A 22 11.973 31.189 12.896 1.00 0.00 O ATOM 336 CB ILE A 22 12.464 32.449 9.839 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.748 32.579 8.495 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.197 31.105 9.898 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.774 32.891 7.402 1.00 0.00 C ATOM 0 H ILE A 22 11.108 34.466 10.255 1.00 0.00 H new ATOM 0 HA ILE A 22 10.671 31.767 10.808 1.00 0.00 H new ATOM 0 HB ILE A 22 13.182 33.262 9.947 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.220 31.655 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.000 33.370 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.927 31.053 9.090 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.709 31.011 10.856 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.478 30.293 9.790 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.266 32.984 6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.282 33.827 7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.505 32.085 7.349 1.00 0.00 H new ATOM 351 N SER A 23 12.931 33.219 12.742 1.00 0.00 N ATOM 352 CA SER A 23 13.657 33.072 13.994 1.00 0.00 C ATOM 353 C SER A 23 12.692 32.765 15.136 1.00 0.00 C ATOM 354 O SER A 23 12.972 31.915 15.980 1.00 0.00 O ATOM 355 CB SER A 23 14.436 34.353 14.296 1.00 0.00 C ATOM 356 OG SER A 23 15.266 34.664 13.184 1.00 0.00 O ATOM 0 H SER A 23 13.084 34.105 12.260 1.00 0.00 H new ATOM 0 HA SER A 23 14.357 32.242 13.898 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.747 35.175 14.493 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.042 34.223 15.193 1.00 0.00 H new ATOM 0 HG SER A 23 14.731 35.098 12.487 1.00 0.00 H new ATOM 362 N GLY A 24 11.551 33.446 15.150 1.00 0.00 N ATOM 363 CA GLY A 24 10.552 33.222 16.190 1.00 0.00 C ATOM 364 C GLY A 24 10.025 31.790 16.143 1.00 0.00 C ATOM 365 O GLY A 24 9.654 31.223 17.170 1.00 0.00 O ATOM 0 H GLY A 24 11.296 34.152 14.459 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.990 33.420 17.168 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.726 33.922 16.063 1.00 0.00 H new ATOM 369 N ILE A 25 9.993 31.219 14.943 1.00 0.00 N ATOM 370 CA ILE A 25 9.501 29.854 14.761 1.00 0.00 C ATOM 371 C ILE A 25 10.474 28.831 15.346 1.00 0.00 C ATOM 372 O ILE A 25 10.060 27.888 16.020 1.00 0.00 O ATOM 373 CB ILE A 25 9.308 29.569 13.266 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.241 30.504 12.683 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.878 28.116 13.067 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.876 30.222 13.318 1.00 0.00 C ATOM 0 H ILE A 25 10.300 31.676 14.084 1.00 0.00 H new ATOM 0 HA ILE A 25 8.550 29.766 15.286 1.00 0.00 H new ATOM 0 HB ILE A 25 10.253 29.741 12.751 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.523 31.542 12.859 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.181 30.369 11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.742 27.919 12.004 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.646 27.452 13.464 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.939 27.939 13.591 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.131 30.894 12.893 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.589 29.190 13.119 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.936 30.381 14.395 1.00 0.00 H new ATOM 388 N LEU A 26 11.764 29.019 15.084 1.00 0.00 N ATOM 389 CA LEU A 26 12.774 28.094 15.594 1.00 0.00 C ATOM 390 C LEU A 26 13.009 28.320 17.086 1.00 0.00 C ATOM 391 O LEU A 26 13.430 27.414 17.807 1.00 0.00 O ATOM 392 CB LEU A 26 14.088 28.264 14.814 1.00 0.00 C ATOM 393 CG LEU A 26 15.020 29.241 15.537 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.721 28.532 16.697 1.00 0.00 C ATOM 395 CD2 LEU A 26 16.076 29.744 14.552 1.00 0.00 C ATOM 0 H LEU A 26 12.132 29.792 14.530 1.00 0.00 H new ATOM 0 HA LEU A 26 12.411 27.075 15.456 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.580 27.297 14.704 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.876 28.630 13.809 1.00 0.00 H new ATOM 0 HG LEU A 26 14.436 30.076 15.924 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.382 29.233 17.206 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.976 28.160 17.400 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.306 27.696 16.313 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.744 30.440 15.059 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.652 28.900 14.173 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.586 30.251 13.721 1.00 0.00 H new ATOM 407 N GLU A 27 12.709 29.527 17.543 1.00 0.00 N ATOM 408 CA GLU A 27 12.869 29.863 18.954 1.00 0.00 C ATOM 409 C GLU A 27 11.707 29.332 19.790 1.00 0.00 C ATOM 410 O GLU A 27 11.907 28.812 20.888 1.00 0.00 O ATOM 411 CB GLU A 27 12.966 31.378 19.127 1.00 0.00 C ATOM 412 CG GLU A 27 14.325 31.865 18.622 1.00 0.00 C ATOM 413 CD GLU A 27 15.441 31.305 19.500 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.142 30.879 20.604 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 16.577 31.313 19.057 1.00 0.00 O ATOM 0 H GLU A 27 12.355 30.288 16.963 1.00 0.00 H new ATOM 0 HA GLU A 27 13.788 29.392 19.303 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.164 31.869 18.576 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.840 31.643 20.177 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.472 31.551 17.589 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.356 32.955 18.631 1.00 0.00 H new ATOM 422 N ASN A 28 10.489 29.487 19.277 1.00 0.00 N ATOM 423 CA ASN A 28 9.307 29.038 20.005 1.00 0.00 C ATOM 424 C ASN A 28 9.028 27.559 19.756 1.00 0.00 C ATOM 425 O ASN A 28 9.540 26.967 18.805 1.00 0.00 O ATOM 426 CB ASN A 28 8.093 29.876 19.597 1.00 0.00 C ATOM 427 CG ASN A 28 7.579 29.438 18.231 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.083 28.475 17.655 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.598 30.098 17.676 1.00 0.00 N ATOM 0 H ASN A 28 10.296 29.915 18.371 1.00 0.00 H new ATOM 0 HA ASN A 28 9.497 29.169 21.070 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.303 29.770 20.341 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.365 30.931 19.569 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.247 29.816 16.761 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.183 30.896 18.158 1.00 0.00 H new ATOM 436 N GLU A 29 8.220 26.969 20.629 1.00 0.00 N ATOM 437 CA GLU A 29 7.875 25.553 20.523 1.00 0.00 C ATOM 438 C GLU A 29 7.169 25.246 19.207 1.00 0.00 C ATOM 439 O GLU A 29 7.249 24.126 18.701 1.00 0.00 O ATOM 440 CB GLU A 29 6.965 25.155 21.686 1.00 0.00 C ATOM 441 CG GLU A 29 6.795 23.635 21.702 1.00 0.00 C ATOM 442 CD GLU A 29 8.094 22.977 22.153 1.00 0.00 C ATOM 443 OE1 GLU A 29 8.813 23.599 22.918 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 8.350 21.862 21.732 1.00 0.00 O ATOM 0 H GLU A 29 7.790 27.449 21.420 1.00 0.00 H new ATOM 0 HA GLU A 29 8.802 24.981 20.557 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.393 25.494 22.629 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.994 25.639 21.584 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.983 23.357 22.374 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.522 23.280 20.708 1.00 0.00 H new ATOM 451 N GLN A 30 6.470 26.237 18.669 1.00 0.00 N ATOM 452 CA GLN A 30 5.738 26.056 17.419 1.00 0.00 C ATOM 453 C GLN A 30 6.628 25.414 16.361 1.00 0.00 C ATOM 454 O GLN A 30 6.166 25.057 15.275 1.00 0.00 O ATOM 455 CB GLN A 30 5.236 27.408 16.916 1.00 0.00 C ATOM 456 CG GLN A 30 4.296 28.008 17.961 1.00 0.00 C ATOM 457 CD GLN A 30 3.705 29.311 17.443 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.518 30.301 18.271 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 3.409 29.436 16.254 1.00 0.00 N flip ATOM 0 H GLN A 30 6.394 27.170 19.075 1.00 0.00 H new ATOM 0 HA GLN A 30 4.890 25.397 17.606 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.076 28.079 16.736 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.715 27.287 15.966 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.497 27.303 18.191 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.839 28.189 18.889 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.556 28.661 15.608 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.017 30.315 15.916 1.00 0.00 H new ATOM 468 N LYS A 31 7.907 25.269 16.687 1.00 0.00 N ATOM 469 CA LYS A 31 8.862 24.666 15.768 1.00 0.00 C ATOM 470 C LYS A 31 8.426 23.252 15.387 1.00 0.00 C ATOM 471 O LYS A 31 8.606 22.820 14.253 1.00 0.00 O ATOM 472 CB LYS A 31 10.235 24.609 16.431 1.00 0.00 C ATOM 473 CG LYS A 31 11.287 24.193 15.406 1.00 0.00 C ATOM 474 CD LYS A 31 12.633 24.020 16.114 1.00 0.00 C ATOM 475 CE LYS A 31 13.747 23.919 15.075 1.00 0.00 C ATOM 476 NZ LYS A 31 13.746 22.556 14.472 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.305 25.561 17.580 1.00 0.00 H new ATOM 0 HA LYS A 31 8.908 25.273 14.864 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.487 25.583 16.850 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.220 23.900 17.259 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.994 23.261 14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.368 24.947 14.623 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.817 24.864 16.779 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.617 23.123 16.734 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.604 24.671 14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.712 24.121 15.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.929 22.628 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.488 21.979 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.820 22.109 14.627 1.00 0.00 H new ATOM 490 N ASP A 32 7.852 22.531 16.339 1.00 0.00 N ATOM 491 CA ASP A 32 7.403 21.172 16.070 1.00 0.00 C ATOM 492 C ASP A 32 6.327 21.175 14.987 1.00 0.00 C ATOM 493 O ASP A 32 6.249 20.253 14.177 1.00 0.00 O ATOM 494 CB ASP A 32 6.871 20.525 17.353 1.00 0.00 C ATOM 495 CG ASP A 32 5.677 21.308 17.886 1.00 0.00 C ATOM 496 OD1 ASP A 32 5.470 22.415 17.425 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 4.995 20.793 18.757 1.00 0.00 O ATOM 0 H ASP A 32 7.688 22.857 17.291 1.00 0.00 H new ATOM 0 HA ASP A 32 8.251 20.587 15.714 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.579 19.494 17.154 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.659 20.493 18.106 1.00 0.00 H new ATOM 502 N LEU A 33 5.504 22.225 14.969 1.00 0.00 N ATOM 503 CA LEU A 33 4.445 22.335 13.968 1.00 0.00 C ATOM 504 C LEU A 33 5.035 22.545 12.578 1.00 0.00 C ATOM 505 O LEU A 33 4.629 21.892 11.616 1.00 0.00 O ATOM 506 CB LEU A 33 3.523 23.511 14.297 1.00 0.00 C ATOM 507 CG LEU A 33 2.953 23.344 15.705 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.144 24.584 16.075 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.041 22.115 15.745 1.00 0.00 C ATOM 0 H LEU A 33 5.550 23.002 15.628 1.00 0.00 H new ATOM 0 HA LEU A 33 3.876 21.406 13.981 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.075 24.448 14.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.712 23.564 13.570 1.00 0.00 H new ATOM 0 HG LEU A 33 3.771 23.215 16.414 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.737 24.466 17.079 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.790 25.462 16.046 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.327 24.711 15.365 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.635 21.996 16.749 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.224 22.245 15.036 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.615 21.227 15.478 1.00 0.00 H new ATOM 521 N VAL A 34 5.997 23.458 12.467 1.00 0.00 N ATOM 522 CA VAL A 34 6.617 23.720 11.173 1.00 0.00 C ATOM 523 C VAL A 34 7.439 22.514 10.745 1.00 0.00 C ATOM 524 O VAL A 34 7.579 22.233 9.553 1.00 0.00 O ATOM 525 CB VAL A 34 7.490 24.988 11.219 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.900 24.666 11.720 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.585 25.581 9.813 1.00 0.00 C ATOM 0 H VAL A 34 6.357 24.018 13.240 1.00 0.00 H new ATOM 0 HA VAL A 34 5.830 23.892 10.439 1.00 0.00 H new ATOM 0 HB VAL A 34 7.031 25.700 11.905 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.495 25.579 11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.842 24.245 12.724 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.368 23.944 11.051 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.202 26.479 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.034 24.851 9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.587 25.836 9.457 1.00 0.00 H new ATOM 537 N ALA A 35 7.968 21.797 11.732 1.00 0.00 N ATOM 538 CA ALA A 35 8.763 20.611 11.461 1.00 0.00 C ATOM 539 C ALA A 35 7.904 19.560 10.763 1.00 0.00 C ATOM 540 O ALA A 35 8.327 18.948 9.786 1.00 0.00 O ATOM 541 CB ALA A 35 9.312 20.044 12.775 1.00 0.00 C ATOM 0 H ALA A 35 7.859 22.018 12.722 1.00 0.00 H new ATOM 0 HA ALA A 35 9.596 20.880 10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.907 19.155 12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.936 20.793 13.262 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.483 19.780 13.432 1.00 0.00 H new ATOM 547 N LYS A 36 6.693 19.365 11.276 1.00 0.00 N ATOM 548 CA LYS A 36 5.765 18.393 10.704 1.00 0.00 C ATOM 549 C LYS A 36 5.287 18.829 9.315 1.00 0.00 C ATOM 550 O LYS A 36 5.040 17.992 8.446 1.00 0.00 O ATOM 551 CB LYS A 36 4.572 18.216 11.649 1.00 0.00 C ATOM 552 CG LYS A 36 5.060 17.602 12.966 1.00 0.00 C ATOM 553 CD LYS A 36 3.891 17.439 13.942 1.00 0.00 C ATOM 554 CE LYS A 36 4.425 16.948 15.291 1.00 0.00 C ATOM 555 NZ LYS A 36 3.334 16.973 16.304 1.00 0.00 N1+ ATOM 0 H LYS A 36 6.331 19.867 12.087 1.00 0.00 H new ATOM 0 HA LYS A 36 6.284 17.442 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.096 19.178 11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.821 17.573 11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.521 16.633 12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.827 18.237 13.409 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.371 18.389 14.067 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.166 16.729 13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.818 15.936 15.191 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.251 17.580 15.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.701 16.639 17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.979 17.945 16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.559 16.353 15.995 1.00 0.00 H new ATOM 569 N LEU A 37 5.147 20.139 9.112 1.00 0.00 N ATOM 570 CA LEU A 37 4.684 20.657 7.824 1.00 0.00 C ATOM 571 C LEU A 37 5.671 20.338 6.701 1.00 0.00 C ATOM 572 O LEU A 37 5.270 19.911 5.618 1.00 0.00 O ATOM 573 CB LEU A 37 4.505 22.173 7.907 1.00 0.00 C ATOM 574 CG LEU A 37 3.682 22.666 6.711 1.00 0.00 C ATOM 575 CD1 LEU A 37 3.106 24.049 7.022 1.00 0.00 C ATOM 576 CD2 LEU A 37 4.566 22.750 5.457 1.00 0.00 C ATOM 0 H LEU A 37 5.345 20.853 9.813 1.00 0.00 H new ATOM 0 HA LEU A 37 3.733 20.174 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.005 22.439 8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.479 22.663 7.917 1.00 0.00 H new ATOM 0 HG LEU A 37 2.870 21.963 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.521 24.399 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.466 23.987 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.920 24.747 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.970 23.101 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.386 23.445 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.970 21.763 5.230 1.00 0.00 H new ATOM 588 N THR A 38 6.960 20.562 6.954 1.00 0.00 N ATOM 589 CA THR A 38 7.981 20.309 5.939 1.00 0.00 C ATOM 590 C THR A 38 9.102 19.439 6.498 1.00 0.00 C ATOM 591 O THR A 38 10.217 19.452 5.981 1.00 0.00 O ATOM 592 CB THR A 38 8.569 21.636 5.453 1.00 0.00 C ATOM 593 OG1 THR A 38 9.476 21.390 4.386 1.00 0.00 O ATOM 594 CG2 THR A 38 9.310 22.314 6.606 1.00 0.00 C ATOM 0 H THR A 38 7.319 20.914 7.842 1.00 0.00 H new ATOM 0 HA THR A 38 7.511 19.784 5.108 1.00 0.00 H new ATOM 0 HB THR A 38 7.766 22.285 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.039 20.618 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.730 23.259 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.615 22.501 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.114 21.665 6.954 1.00 0.00 H new ATOM 602 N ASN A 39 8.803 18.699 7.560 1.00 0.00 N ATOM 603 CA ASN A 39 9.801 17.838 8.190 1.00 0.00 C ATOM 604 C ASN A 39 10.822 18.673 8.950 1.00 0.00 C ATOM 605 O ASN A 39 10.751 19.902 8.956 1.00 0.00 O ATOM 606 CB ASN A 39 10.524 16.989 7.143 1.00 0.00 C ATOM 607 CG ASN A 39 11.303 15.873 7.833 1.00 0.00 C ATOM 608 OD1 ASN A 39 10.915 15.415 8.907 1.00 0.00 O ATOM 609 ND2 ASN A 39 12.391 15.413 7.280 1.00 0.00 N ATOM 0 H ASN A 39 7.884 18.677 8.002 1.00 0.00 H new ATOM 0 HA ASN A 39 9.281 17.180 8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.803 16.564 6.445 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.202 17.613 6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.922 14.672 7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.711 15.794 6.390 1.00 0.00 H new ATOM 616 N SER A 40 11.767 17.999 9.591 1.00 0.00 N ATOM 617 CA SER A 40 12.796 18.692 10.357 1.00 0.00 C ATOM 618 C SER A 40 13.496 19.737 9.495 1.00 0.00 C ATOM 619 O SER A 40 13.653 19.557 8.288 1.00 0.00 O ATOM 620 CB SER A 40 13.817 17.679 10.873 1.00 0.00 C ATOM 621 OG SER A 40 14.591 17.194 9.782 1.00 0.00 O ATOM 0 H SER A 40 11.843 16.982 9.597 1.00 0.00 H new ATOM 0 HA SER A 40 12.325 19.199 11.199 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.465 18.145 11.615 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.308 16.852 11.368 1.00 0.00 H new ATOM 0 HG SER A 40 15.248 16.545 10.110 1.00 0.00 H new ATOM 627 N ASP A 41 13.907 20.830 10.130 1.00 0.00 N ATOM 628 CA ASP A 41 14.586 21.916 9.429 1.00 0.00 C ATOM 629 C ASP A 41 15.054 22.973 10.426 1.00 0.00 C ATOM 630 O ASP A 41 14.303 23.363 11.319 1.00 0.00 O ATOM 631 CB ASP A 41 13.627 22.573 8.436 1.00 0.00 C ATOM 632 CG ASP A 41 13.686 21.855 7.092 1.00 0.00 C ATOM 633 OD1 ASP A 41 14.562 21.024 6.925 1.00 0.00 O1- ATOM 634 OD2 ASP A 41 12.857 22.154 6.249 1.00 0.00 O ATOM 0 H ASP A 41 13.782 20.988 11.130 1.00 0.00 H new ATOM 0 HA ASP A 41 15.445 21.502 8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.610 22.544 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.889 23.623 8.307 1.00 0.00 H new ATOM 639 N PRO A 42 16.261 23.457 10.288 1.00 0.00 N ATOM 640 CA PRO A 42 16.802 24.505 11.200 1.00 0.00 C ATOM 641 C PRO A 42 16.085 25.839 10.997 1.00 0.00 C ATOM 642 O PRO A 42 15.116 26.141 11.695 1.00 0.00 O ATOM 643 CB PRO A 42 18.281 24.603 10.815 1.00 0.00 C ATOM 644 CG PRO A 42 18.354 24.104 9.410 1.00 0.00 C ATOM 645 CD PRO A 42 17.240 23.066 9.264 1.00 0.00 C ATOM 0 HA PRO A 42 16.661 24.258 12.252 1.00 0.00 H new ATOM 0 HB2 PRO A 42 18.639 25.630 10.887 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.901 24.001 11.479 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.220 24.920 8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 42 19.328 23.660 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.804 23.085 8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 42 17.611 22.055 9.431 1.00 0.00 H new ATOM 653 N ILE A 43 16.551 26.626 10.028 1.00 0.00 N ATOM 654 CA ILE A 43 15.926 27.914 9.736 1.00 0.00 C ATOM 655 C ILE A 43 15.144 27.845 8.430 1.00 0.00 C ATOM 656 O ILE A 43 14.302 28.698 8.155 1.00 0.00 O ATOM 657 CB ILE A 43 16.975 29.030 9.650 1.00 0.00 C ATOM 658 CG1 ILE A 43 18.324 28.455 9.214 1.00 0.00 C ATOM 659 CG2 ILE A 43 17.128 29.690 11.017 1.00 0.00 C ATOM 660 CD1 ILE A 43 18.242 28.031 7.746 1.00 0.00 C ATOM 0 H ILE A 43 17.351 26.397 9.438 1.00 0.00 H new ATOM 0 HA ILE A 43 15.241 28.142 10.553 1.00 0.00 H new ATOM 0 HB ILE A 43 16.647 29.767 8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 43 19.109 29.199 9.346 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.587 27.600 9.837 1.00 0.00 H new ATOM 0 HG21 ILE A 43 17.873 30.483 10.957 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.172 30.113 11.326 1.00 0.00 H new ATOM 0 HG23 ILE A 43 17.448 28.946 11.746 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.202 27.621 7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.467 27.273 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 43 17.998 28.897 7.130 1.00 0.00 H new ATOM 672 N MET A 44 15.422 26.822 7.628 1.00 0.00 N ATOM 673 CA MET A 44 14.727 26.661 6.358 1.00 0.00 C ATOM 674 C MET A 44 13.221 26.758 6.577 1.00 0.00 C ATOM 675 O MET A 44 12.511 27.402 5.815 1.00 0.00 O ATOM 676 CB MET A 44 15.074 25.300 5.754 1.00 0.00 C ATOM 677 CG MET A 44 14.363 25.134 4.411 1.00 0.00 C ATOM 678 SD MET A 44 15.241 26.083 3.145 1.00 0.00 S ATOM 679 CE MET A 44 13.799 26.509 2.136 1.00 0.00 C ATOM 0 H MET A 44 16.114 26.101 7.832 1.00 0.00 H new ATOM 0 HA MET A 44 15.039 27.450 5.674 1.00 0.00 H new ATOM 0 HB2 MET A 44 16.152 25.216 5.618 1.00 0.00 H new ATOM 0 HB3 MET A 44 14.776 24.503 6.435 1.00 0.00 H new ATOM 0 HG2 MET A 44 14.329 24.081 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 44 13.331 25.477 4.488 1.00 0.00 H new ATOM 0 HE1 MET A 44 13.769 27.588 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 44 13.868 26.006 1.172 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.890 26.191 2.647 1.00 0.00 H new ATOM 689 N ASN A 45 12.753 26.130 7.642 1.00 0.00 N ATOM 690 CA ASN A 45 11.335 26.160 7.987 1.00 0.00 C ATOM 691 C ASN A 45 10.459 26.500 6.782 1.00 0.00 C ATOM 692 O ASN A 45 9.628 27.406 6.849 1.00 0.00 O ATOM 693 CB ASN A 45 11.105 27.187 9.095 1.00 0.00 C ATOM 694 CG ASN A 45 11.928 26.813 10.322 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.998 25.639 10.685 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.558 27.741 10.986 1.00 0.00 N ATOM 0 H ASN A 45 13.332 25.591 8.286 1.00 0.00 H new ATOM 0 HA ASN A 45 11.053 25.164 8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.385 28.181 8.746 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.047 27.227 9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.110 27.495 11.808 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.499 28.713 10.684 1.00 0.00 H new ATOM 703 N GLN A 46 10.652 25.776 5.684 1.00 0.00 N ATOM 704 CA GLN A 46 9.874 26.014 4.466 1.00 0.00 C ATOM 705 C GLN A 46 9.836 27.503 4.122 1.00 0.00 C ATOM 706 O GLN A 46 8.780 28.134 4.133 1.00 0.00 O ATOM 707 CB GLN A 46 8.448 25.458 4.603 1.00 0.00 C ATOM 708 CG GLN A 46 7.731 26.061 5.820 1.00 0.00 C ATOM 709 CD GLN A 46 6.288 25.578 5.852 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.991 24.555 6.465 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.372 26.248 5.214 1.00 0.00 N ATOM 0 H GLN A 46 11.336 25.023 5.609 1.00 0.00 H new ATOM 0 HA GLN A 46 10.368 25.487 3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.881 25.677 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.486 24.373 4.701 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.243 25.771 6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.760 27.149 5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.622 27.097 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.405 25.924 5.222 1.00 0.00 H new ATOM 720 N LEU A 47 11.005 28.047 3.808 1.00 0.00 N ATOM 721 CA LEU A 47 11.106 29.464 3.455 1.00 0.00 C ATOM 722 C LEU A 47 10.166 29.803 2.300 1.00 0.00 C ATOM 723 O LEU A 47 9.503 30.842 2.313 1.00 0.00 O ATOM 724 CB LEU A 47 12.537 29.827 3.034 1.00 0.00 C ATOM 725 CG LEU A 47 13.536 29.474 4.137 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.918 30.000 3.752 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.108 30.118 5.456 1.00 0.00 C ATOM 0 H LEU A 47 11.889 27.539 3.789 1.00 0.00 H new ATOM 0 HA LEU A 47 10.828 30.036 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.797 29.296 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.596 30.892 2.812 1.00 0.00 H new ATOM 0 HG LEU A 47 13.567 28.391 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.633 29.751 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.233 29.543 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.875 31.082 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.825 29.861 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.073 31.201 5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.120 29.751 5.736 1.00 0.00 H new ATOM 739 N ASP A 48 10.148 28.942 1.289 1.00 0.00 N ATOM 740 CA ASP A 48 9.325 29.178 0.106 1.00 0.00 C ATOM 741 C ASP A 48 7.834 29.268 0.438 1.00 0.00 C ATOM 742 O ASP A 48 7.176 30.240 0.058 1.00 0.00 O ATOM 743 CB ASP A 48 9.562 28.063 -0.916 1.00 0.00 C ATOM 744 CG ASP A 48 10.964 28.194 -1.506 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.537 29.266 -1.395 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 11.444 27.221 -2.061 1.00 0.00 O ATOM 0 H ASP A 48 10.690 28.078 1.263 1.00 0.00 H new ATOM 0 HA ASP A 48 9.622 30.141 -0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.447 27.089 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.817 28.119 -1.709 1.00 0.00 H new ATOM 751 N LEU A 49 7.299 28.273 1.145 1.00 0.00 N ATOM 752 CA LEU A 49 5.880 28.300 1.500 1.00 0.00 C ATOM 753 C LEU A 49 5.600 29.439 2.475 1.00 0.00 C ATOM 754 O LEU A 49 4.569 30.108 2.387 1.00 0.00 O ATOM 755 CB LEU A 49 5.457 26.970 2.126 1.00 0.00 C ATOM 756 CG LEU A 49 5.376 25.890 1.042 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.762 25.282 0.806 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.414 24.789 1.497 1.00 0.00 C ATOM 0 H LEU A 49 7.812 27.456 1.477 1.00 0.00 H new ATOM 0 HA LEU A 49 5.304 28.460 0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.172 26.675 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.490 27.079 2.617 1.00 0.00 H new ATOM 0 HG LEU A 49 5.017 26.338 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.696 24.515 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.452 26.062 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.126 24.835 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.353 24.018 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.778 24.348 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.425 25.216 1.662 1.00 0.00 H new ATOM 770 N LEU A 50 6.516 29.634 3.416 1.00 0.00 N ATOM 771 CA LEU A 50 6.355 30.677 4.419 1.00 0.00 C ATOM 772 C LEU A 50 6.237 32.040 3.741 1.00 0.00 C ATOM 773 O LEU A 50 5.361 32.837 4.078 1.00 0.00 O ATOM 774 CB LEU A 50 7.573 30.673 5.353 1.00 0.00 C ATOM 775 CG LEU A 50 7.274 31.470 6.628 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.427 31.286 7.616 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.129 32.955 6.292 1.00 0.00 C ATOM 0 H LEU A 50 7.372 29.087 3.505 1.00 0.00 H new ATOM 0 HA LEU A 50 5.449 30.487 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.837 29.648 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.433 31.104 4.841 1.00 0.00 H new ATOM 0 HG LEU A 50 6.345 31.110 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.221 31.850 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.531 30.229 7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.352 31.647 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.917 33.515 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.056 33.320 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.311 33.090 5.584 1.00 0.00 H new ATOM 789 N HIS A 51 7.113 32.298 2.773 1.00 0.00 N ATOM 790 CA HIS A 51 7.095 33.567 2.054 1.00 0.00 C ATOM 791 C HIS A 51 5.746 33.804 1.382 1.00 0.00 C ATOM 792 O HIS A 51 5.180 34.889 1.477 1.00 0.00 O ATOM 793 CB HIS A 51 8.187 33.570 0.982 1.00 0.00 C ATOM 794 CG HIS A 51 9.543 33.585 1.630 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.686 33.926 0.929 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.954 33.304 2.908 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.723 33.846 1.783 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.332 33.469 3.003 1.00 0.00 N ATOM 0 H HIS A 51 7.840 31.649 2.471 1.00 0.00 H new ATOM 0 HA HIS A 51 7.272 34.363 2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.088 32.689 0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.073 34.442 0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.306 33.001 3.717 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.747 34.061 1.514 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.918 33.332 3.827 1.00 0.00 H new ATOM 807 N LYS A 52 5.247 32.787 0.691 1.00 0.00 N ATOM 808 CA LYS A 52 3.975 32.911 -0.009 1.00 0.00 C ATOM 809 C LYS A 52 2.845 33.220 0.961 1.00 0.00 C ATOM 810 O LYS A 52 2.070 34.151 0.746 1.00 0.00 O ATOM 811 CB LYS A 52 3.684 31.612 -0.752 1.00 0.00 C ATOM 812 CG LYS A 52 4.761 31.406 -1.813 1.00 0.00 C ATOM 813 CD LYS A 52 4.520 30.092 -2.554 1.00 0.00 C ATOM 814 CE LYS A 52 5.564 29.940 -3.661 1.00 0.00 C ATOM 815 NZ LYS A 52 4.887 30.028 -4.984 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.698 31.876 0.600 1.00 0.00 H new ATOM 0 HA LYS A 52 4.043 33.736 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.673 30.773 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.699 31.654 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.752 32.237 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.746 31.394 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.583 29.253 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.517 30.079 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.321 30.719 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.078 28.984 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.592 29.925 -5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.180 29.269 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.416 30.951 -5.072 1.00 0.00 H new ATOM 829 N TRP A 53 2.771 32.451 2.037 1.00 0.00 N ATOM 830 CA TRP A 53 1.746 32.664 3.048 1.00 0.00 C ATOM 831 C TRP A 53 1.853 34.091 3.573 1.00 0.00 C ATOM 832 O TRP A 53 0.866 34.833 3.650 1.00 0.00 O ATOM 833 CB TRP A 53 1.981 31.666 4.184 1.00 0.00 C ATOM 834 CG TRP A 53 0.840 31.665 5.147 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.216 30.822 5.094 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.631 32.512 6.313 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.052 31.085 6.162 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.576 32.121 6.940 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.364 33.568 6.884 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.037 32.753 8.091 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.903 34.207 8.047 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.298 33.800 8.650 1.00 0.00 C ATOM 0 H TRP A 53 3.406 31.677 2.232 1.00 0.00 H new ATOM 0 HA TRP A 53 0.751 32.516 2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.113 30.666 3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.903 31.918 4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.379 30.066 4.340 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.915 30.576 6.352 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.287 33.890 6.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.962 32.436 8.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.475 35.015 8.479 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.650 34.294 9.543 1.00 0.00 H new ATOM 853 N LEU A 54 3.077 34.462 3.921 1.00 0.00 N ATOM 854 CA LEU A 54 3.348 35.790 4.431 1.00 0.00 C ATOM 855 C LEU A 54 2.889 36.845 3.429 1.00 0.00 C ATOM 856 O LEU A 54 2.154 37.768 3.779 1.00 0.00 O ATOM 857 CB LEU A 54 4.850 35.939 4.681 1.00 0.00 C ATOM 858 CG LEU A 54 5.135 37.314 5.274 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.717 37.342 6.747 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.631 37.623 5.162 1.00 0.00 C ATOM 0 H LEU A 54 3.896 33.858 3.858 1.00 0.00 H new ATOM 0 HA LEU A 54 2.803 35.931 5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.195 35.160 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.399 35.813 3.748 1.00 0.00 H new ATOM 0 HG LEU A 54 4.567 38.064 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.923 38.327 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.651 37.130 6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.279 36.589 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.832 38.607 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.200 36.869 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.927 37.613 4.113 1.00 0.00 H new ATOM 872 N ASP A 55 3.345 36.715 2.188 1.00 0.00 N ATOM 873 CA ASP A 55 2.990 37.672 1.148 1.00 0.00 C ATOM 874 C ASP A 55 1.474 37.779 0.972 1.00 0.00 C ATOM 875 O ASP A 55 0.942 38.876 0.800 1.00 0.00 O ATOM 876 CB ASP A 55 3.636 37.251 -0.172 1.00 0.00 C ATOM 877 CG ASP A 55 5.155 37.338 -0.052 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.618 38.050 0.824 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.832 36.695 -0.837 1.00 0.00 O1- ATOM 0 H ASP A 55 3.958 35.960 1.879 1.00 0.00 H new ATOM 0 HA ASP A 55 3.359 38.652 1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.339 36.233 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.288 37.895 -0.980 1.00 0.00 H new ATOM 884 N ARG A 56 0.783 36.641 1.008 1.00 0.00 N ATOM 885 CA ARG A 56 -0.671 36.634 0.840 1.00 0.00 C ATOM 886 C ARG A 56 -1.355 37.469 1.915 1.00 0.00 C ATOM 887 O ARG A 56 -2.410 38.056 1.676 1.00 0.00 O ATOM 888 CB ARG A 56 -1.210 35.200 0.888 1.00 0.00 C ATOM 889 CG ARG A 56 -2.725 35.218 0.668 1.00 0.00 C ATOM 890 CD ARG A 56 -3.273 33.793 0.777 1.00 0.00 C ATOM 891 NE ARG A 56 -2.711 32.960 -0.284 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.216 31.762 -0.559 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.219 31.301 0.134 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.706 31.046 -1.523 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.200 35.721 1.150 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.891 37.072 -0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.728 34.593 0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.977 34.744 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.203 35.861 1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.956 35.634 -0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.024 33.372 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.360 33.806 0.703 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.917 33.304 -0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.617 31.860 0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.606 30.381 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.920 31.406 -2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.093 30.126 -1.735 1.00 0.00 H new ATOM 908 N HIS A 57 -0.759 37.512 3.100 1.00 0.00 N ATOM 909 CA HIS A 57 -1.339 38.276 4.200 1.00 0.00 C ATOM 910 C HIS A 57 -0.456 39.455 4.593 1.00 0.00 C ATOM 911 O HIS A 57 -0.539 39.943 5.717 1.00 0.00 O ATOM 912 CB HIS A 57 -1.537 37.368 5.413 1.00 0.00 C ATOM 913 CG HIS A 57 -2.555 36.313 5.082 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.910 36.487 5.333 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.438 35.073 4.504 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.546 35.381 4.910 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.697 34.487 4.395 1.00 0.00 N ATOM 0 H HIS A 57 0.114 37.034 3.324 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.299 38.666 3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.592 36.903 5.692 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.869 37.954 6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.511 34.621 4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.614 35.233 4.978 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.922 33.572 4.006 1.00 0.00 H new ATOM 926 N ARG A 58 0.382 39.914 3.670 1.00 0.00 N ATOM 927 CA ARG A 58 1.266 41.040 3.954 1.00 0.00 C ATOM 928 C ARG A 58 0.473 42.248 4.462 1.00 0.00 C ATOM 929 O ARG A 58 0.949 43.001 5.309 1.00 0.00 O ATOM 930 CB ARG A 58 2.068 41.411 2.706 1.00 0.00 C ATOM 931 CG ARG A 58 1.117 41.873 1.610 1.00 0.00 C ATOM 932 CD ARG A 58 1.842 41.866 0.264 1.00 0.00 C ATOM 933 NE ARG A 58 2.930 42.836 0.254 1.00 0.00 N ATOM 934 CZ ARG A 58 3.636 43.051 -0.849 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.393 42.348 -1.922 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.576 43.954 -0.861 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.468 39.530 2.729 1.00 0.00 H new ATOM 0 HA ARG A 58 1.959 40.739 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.781 42.201 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.645 40.552 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.247 41.217 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.750 42.875 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.236 40.870 0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.137 42.096 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 58 3.151 43.355 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.662 41.636 -1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.934 42.511 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.771 44.498 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.116 44.116 -1.711 1.00 0.00 H new ATOM 950 N ASP A 59 -0.740 42.416 3.947 1.00 0.00 N ATOM 951 CA ASP A 59 -1.595 43.529 4.365 1.00 0.00 C ATOM 952 C ASP A 59 -1.905 43.441 5.861 1.00 0.00 C ATOM 953 O ASP A 59 -2.139 44.453 6.521 1.00 0.00 O ATOM 954 CB ASP A 59 -2.910 43.527 3.576 1.00 0.00 C ATOM 955 CG ASP A 59 -3.721 42.269 3.882 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.375 41.574 4.820 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.679 42.019 3.167 1.00 0.00 O ATOM 0 H ASP A 59 -1.154 41.803 3.245 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.056 44.455 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.493 44.412 3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.699 43.579 2.508 1.00 0.00 H new ATOM 962 N MET A 60 -1.921 42.221 6.377 1.00 0.00 N ATOM 963 CA MET A 60 -2.228 41.985 7.785 1.00 0.00 C ATOM 964 C MET A 60 -1.277 42.762 8.688 1.00 0.00 C ATOM 965 O MET A 60 -1.635 43.142 9.797 1.00 0.00 O ATOM 966 CB MET A 60 -2.088 40.494 8.093 1.00 0.00 C ATOM 967 CG MET A 60 -0.616 40.172 8.370 1.00 0.00 C ATOM 968 SD MET A 60 -0.347 38.389 8.197 1.00 0.00 S ATOM 969 CE MET A 60 1.385 38.473 7.686 1.00 0.00 C ATOM 0 H MET A 60 -1.725 41.375 5.842 1.00 0.00 H new ATOM 0 HA MET A 60 -3.248 42.320 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.699 40.230 8.956 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.450 39.901 7.253 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.024 40.716 7.675 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.344 40.496 9.375 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.469 38.188 6.637 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.754 39.490 7.816 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.978 37.792 8.296 1.00 0.00 H new ATOM 979 N CYS A 61 -0.063 42.982 8.208 1.00 0.00 N ATOM 980 CA CYS A 61 0.942 43.693 8.986 1.00 0.00 C ATOM 981 C CYS A 61 0.448 45.082 9.369 1.00 0.00 C ATOM 982 O CYS A 61 0.865 45.646 10.384 1.00 0.00 O ATOM 983 CB CYS A 61 2.228 43.818 8.168 1.00 0.00 C ATOM 984 SG CYS A 61 1.910 44.863 6.723 1.00 0.00 S ATOM 0 H CYS A 61 0.251 42.680 7.286 1.00 0.00 H new ATOM 0 HA CYS A 61 1.136 43.129 9.898 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.021 44.250 8.778 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.570 42.833 7.852 1.00 0.00 H new ATOM 0 HG CYS A 61 1.367 44.149 5.782 1.00 0.00 H new ATOM 990 N GLU A 62 -0.427 45.629 8.540 1.00 0.00 N ATOM 991 CA GLU A 62 -0.966 46.960 8.776 1.00 0.00 C ATOM 992 C GLU A 62 -2.020 46.951 9.882 1.00 0.00 C ATOM 993 O GLU A 62 -2.430 48.010 10.354 1.00 0.00 O ATOM 994 CB GLU A 62 -1.586 47.500 7.489 1.00 0.00 C ATOM 995 CG GLU A 62 -0.569 47.392 6.355 1.00 0.00 C ATOM 996 CD GLU A 62 -1.120 48.068 5.106 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.295 48.395 5.099 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.356 48.247 4.172 1.00 0.00 O ATOM 0 H GLU A 62 -0.779 45.173 7.698 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.145 47.602 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.486 46.937 7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.887 48.539 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.370 47.861 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.351 46.344 6.147 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.477 45.761 10.275 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.504 45.645 11.303 1.00 0.00 C ATOM 1007 C LYS A 63 -2.914 45.637 12.713 1.00 0.00 C ATOM 1008 O LYS A 63 -3.574 45.204 13.659 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.292 44.355 11.090 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.991 44.399 9.730 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.726 43.080 9.489 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.862 42.925 10.503 1.00 0.00 C ATOM 1013 NZ LYS A 63 -7.356 44.266 10.921 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.152 44.871 9.898 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.153 46.516 11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.623 43.496 11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.028 44.231 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.695 45.231 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.260 44.570 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.126 43.056 8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.031 42.245 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.676 42.349 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.511 42.370 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.265 44.163 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.664 44.708 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.484 44.866 10.081 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.689 46.126 12.863 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.065 46.174 14.185 1.00 0.00 C ATOM 1029 C TRP A 64 0.145 47.098 14.188 1.00 0.00 C ATOM 1030 O TRP A 64 0.373 47.837 15.148 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.631 44.774 14.645 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.881 43.771 13.572 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.122 43.613 12.468 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.934 42.771 13.494 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.641 42.581 11.713 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.763 42.030 12.302 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.013 42.442 14.329 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.628 40.998 11.956 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.889 41.401 13.980 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.694 40.682 12.795 1.00 0.00 C ATOM 0 H TRP A 64 -1.114 46.489 12.103 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.813 46.561 14.877 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.428 44.782 14.904 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.177 44.495 15.546 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.750 44.199 12.216 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.245 42.264 10.828 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.171 42.992 15.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.474 40.444 11.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.716 41.154 14.629 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.370 39.882 12.531 1.00 0.00 H new ATOM 1051 N LYS A 65 0.927 47.041 13.123 1.00 0.00 N ATOM 1052 CA LYS A 65 2.117 47.868 13.031 1.00 0.00 C ATOM 1053 C LYS A 65 3.074 47.527 14.173 1.00 0.00 C ATOM 1054 O LYS A 65 3.795 48.391 14.669 1.00 0.00 O ATOM 1055 CB LYS A 65 1.736 49.349 13.110 1.00 0.00 C ATOM 1056 CG LYS A 65 0.780 49.695 11.971 1.00 0.00 C ATOM 1057 CD LYS A 65 0.565 51.211 11.925 1.00 0.00 C ATOM 1058 CE LYS A 65 -0.429 51.555 10.814 1.00 0.00 C ATOM 1059 NZ LYS A 65 -1.813 51.540 11.362 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.762 46.437 12.318 1.00 0.00 H new ATOM 0 HA LYS A 65 2.607 47.675 12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.266 49.563 14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.631 49.969 13.048 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.187 49.346 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.173 49.186 12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.189 51.564 12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.514 51.718 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.201 52.537 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.342 50.837 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.488 51.774 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.028 50.594 11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.892 52.242 12.126 1.00 0.00 H new ATOM 1073 N SER A 66 3.068 46.261 14.588 1.00 0.00 N ATOM 1074 CA SER A 66 3.937 45.818 15.676 1.00 0.00 C ATOM 1075 C SER A 66 4.304 44.343 15.501 1.00 0.00 C ATOM 1076 O SER A 66 3.461 43.513 15.151 1.00 0.00 O ATOM 1077 CB SER A 66 3.243 46.028 17.020 1.00 0.00 C ATOM 1078 OG SER A 66 2.183 45.095 17.152 1.00 0.00 O ATOM 0 H SER A 66 2.477 45.530 14.191 1.00 0.00 H new ATOM 0 HA SER A 66 4.852 46.410 15.652 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.957 45.902 17.834 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.858 47.045 17.088 1.00 0.00 H new ATOM 0 HG SER A 66 1.449 45.503 17.656 1.00 0.00 H new ATOM 1084 N LYS A 67 5.579 44.040 15.719 1.00 0.00 N ATOM 1085 CA LYS A 67 6.088 42.682 15.552 1.00 0.00 C ATOM 1086 C LYS A 67 5.468 41.663 16.508 1.00 0.00 C ATOM 1087 O LYS A 67 5.030 40.599 16.075 1.00 0.00 O ATOM 1088 CB LYS A 67 7.602 42.676 15.751 1.00 0.00 C ATOM 1089 CG LYS A 67 8.113 41.238 15.660 1.00 0.00 C ATOM 1090 CD LYS A 67 9.637 41.224 15.788 1.00 0.00 C ATOM 1091 CE LYS A 67 10.130 39.777 15.849 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.302 38.932 14.941 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.282 44.718 16.013 1.00 0.00 H new ATOM 0 HA LYS A 67 5.813 42.380 14.541 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.083 43.295 14.994 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.855 43.104 16.721 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.667 40.632 16.449 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.814 40.795 14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.089 41.738 14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.942 41.762 16.686 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.178 39.726 15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.066 39.402 16.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.689 37.967 14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.323 38.904 15.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.317 39.335 13.982 1.00 0.00 H new ATOM 1106 N GLU A 68 5.483 41.955 17.803 1.00 0.00 N ATOM 1107 CA GLU A 68 4.968 41.005 18.787 1.00 0.00 C ATOM 1108 C GLU A 68 3.493 40.694 18.574 1.00 0.00 C ATOM 1109 O GLU A 68 3.072 39.543 18.730 1.00 0.00 O ATOM 1110 CB GLU A 68 5.178 41.546 20.200 1.00 0.00 C ATOM 1111 CG GLU A 68 6.678 41.670 20.472 1.00 0.00 C ATOM 1112 CD GLU A 68 7.184 43.030 20.008 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.383 43.791 19.492 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.364 43.290 20.176 1.00 0.00 O ATOM 0 H GLU A 68 5.840 42.827 18.194 1.00 0.00 H new ATOM 0 HA GLU A 68 5.524 40.077 18.657 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.695 42.518 20.306 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.718 40.880 20.930 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.874 41.544 21.537 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.216 40.877 19.953 1.00 0.00 H new ATOM 1121 N ASP A 69 2.706 41.698 18.213 1.00 0.00 N ATOM 1122 CA ASP A 69 1.286 41.461 17.989 1.00 0.00 C ATOM 1123 C ASP A 69 1.102 40.494 16.827 1.00 0.00 C ATOM 1124 O ASP A 69 0.316 39.549 16.911 1.00 0.00 O ATOM 1125 CB ASP A 69 0.564 42.772 17.687 1.00 0.00 C ATOM 1126 CG ASP A 69 0.598 43.679 18.914 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.927 43.189 19.983 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 0.290 44.850 18.770 1.00 0.00 O ATOM 0 H ASP A 69 3.015 42.660 18.072 1.00 0.00 H new ATOM 0 HA ASP A 69 0.859 41.028 18.894 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.037 43.271 16.842 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.468 42.571 17.401 1.00 0.00 H new ATOM 1133 N ILE A 70 1.829 40.740 15.740 1.00 0.00 N ATOM 1134 CA ILE A 70 1.727 39.881 14.567 1.00 0.00 C ATOM 1135 C ILE A 70 2.059 38.429 14.906 1.00 0.00 C ATOM 1136 O ILE A 70 1.326 37.518 14.538 1.00 0.00 O ATOM 1137 CB ILE A 70 2.674 40.367 13.471 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.232 41.747 12.986 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.631 39.385 12.301 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.300 42.329 12.060 1.00 0.00 C ATOM 0 H ILE A 70 2.485 41.515 15.648 1.00 0.00 H new ATOM 0 HA ILE A 70 0.696 39.930 14.216 1.00 0.00 H new ATOM 0 HB ILE A 70 3.688 40.429 13.867 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.281 41.671 12.459 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.073 42.409 13.837 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.305 39.726 11.515 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.942 38.398 12.643 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.615 39.330 11.909 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.984 43.313 11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.241 42.419 12.602 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.437 41.670 11.203 1.00 0.00 H new ATOM 1152 N LEU A 71 3.171 38.216 15.598 1.00 0.00 N ATOM 1153 CA LEU A 71 3.576 36.863 15.947 1.00 0.00 C ATOM 1154 C LEU A 71 2.446 36.127 16.661 1.00 0.00 C ATOM 1155 O LEU A 71 2.190 34.956 16.385 1.00 0.00 O ATOM 1156 CB LEU A 71 4.818 36.897 16.839 1.00 0.00 C ATOM 1157 CG LEU A 71 6.007 37.497 16.072 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.269 37.391 16.932 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.232 36.731 14.764 1.00 0.00 C ATOM 0 H LEU A 71 3.799 38.951 15.924 1.00 0.00 H new ATOM 0 HA LEU A 71 3.811 36.329 15.026 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.617 37.488 17.732 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.063 35.889 17.172 1.00 0.00 H new ATOM 0 HG LEU A 71 5.792 38.541 15.846 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.115 37.816 16.391 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.122 37.938 17.863 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.470 36.343 17.155 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.077 37.165 14.229 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.442 35.685 14.987 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.337 36.798 14.145 1.00 0.00 H new ATOM 1171 N HIS A 72 1.768 36.816 17.570 1.00 0.00 N ATOM 1172 CA HIS A 72 0.666 36.201 18.308 1.00 0.00 C ATOM 1173 C HIS A 72 -0.422 35.713 17.360 1.00 0.00 C ATOM 1174 O HIS A 72 -0.896 34.582 17.478 1.00 0.00 O ATOM 1175 CB HIS A 72 0.055 37.209 19.283 1.00 0.00 C ATOM 1176 CG HIS A 72 1.051 37.537 20.357 1.00 0.00 C ATOM 1177 ND1 HIS A 72 1.786 36.558 21.006 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.431 38.729 20.920 1.00 0.00 C ATOM 1179 CE1 HIS A 72 2.562 37.175 21.917 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.384 38.498 21.906 1.00 0.00 N ATOM 0 H HIS A 72 1.956 37.788 17.814 1.00 0.00 H new ATOM 0 HA HIS A 72 1.069 35.350 18.857 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.234 38.116 18.751 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.852 36.798 19.727 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.048 39.699 20.640 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.246 36.662 22.577 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.847 39.191 22.494 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.815 36.568 16.425 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.856 36.201 15.472 1.00 0.00 C ATOM 1191 C LYS A 73 -1.398 35.033 14.612 1.00 0.00 C ATOM 1192 O LYS A 73 -2.107 34.038 14.466 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.209 37.388 14.582 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.587 38.583 15.457 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.595 38.143 16.523 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.316 39.369 17.087 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.539 40.602 16.766 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.436 37.507 16.306 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.742 35.904 16.033 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.363 37.643 13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.038 37.129 13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.696 38.994 15.932 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.015 39.375 14.843 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.318 37.451 16.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.083 37.610 17.324 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.319 39.439 16.665 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.431 39.271 18.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.946 41.412 17.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.548 40.473 17.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.581 40.782 15.743 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.203 35.157 14.050 1.00 0.00 N ATOM 1212 CA LEU A 74 0.339 34.097 13.219 1.00 0.00 C ATOM 1213 C LEU A 74 0.446 32.800 14.002 1.00 0.00 C ATOM 1214 O LEU A 74 0.159 31.737 13.468 1.00 0.00 O ATOM 1215 CB LEU A 74 1.706 34.487 12.670 1.00 0.00 C ATOM 1216 CG LEU A 74 1.521 35.361 11.429 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.461 36.434 11.686 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.847 36.033 11.074 1.00 0.00 C ATOM 0 H LEU A 74 0.402 35.972 14.154 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.344 33.945 12.383 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.275 35.026 13.427 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.278 33.594 12.418 1.00 0.00 H new ATOM 0 HG LEU A 74 1.194 34.731 10.602 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.341 37.048 10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.488 35.957 11.929 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.774 37.063 12.519 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.714 36.656 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.175 36.653 11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.599 35.270 10.871 1.00 0.00 H new ATOM 1230 N ASN A 75 0.842 32.885 15.269 1.00 0.00 N ATOM 1231 CA ASN A 75 0.946 31.682 16.082 1.00 0.00 C ATOM 1232 C ASN A 75 -0.371 30.920 16.011 1.00 0.00 C ATOM 1233 O ASN A 75 -0.395 29.711 15.783 1.00 0.00 O ATOM 1234 CB ASN A 75 1.240 32.052 17.541 1.00 0.00 C ATOM 1235 CG ASN A 75 2.516 32.883 17.628 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.369 32.855 16.641 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 2.745 33.572 18.622 1.00 0.00 N flip ATOM 0 H ASN A 75 1.090 33.753 15.744 1.00 0.00 H new ATOM 0 HA ASN A 75 1.759 31.062 15.704 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.403 32.613 17.957 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.346 31.147 18.139 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.077 33.593 19.393 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.602 34.122 18.675 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.465 31.651 16.207 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.798 31.059 16.168 1.00 0.00 C ATOM 1246 C GLU A 76 -3.148 30.568 14.768 1.00 0.00 C ATOM 1247 O GLU A 76 -3.732 29.499 14.602 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.821 32.111 16.578 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.544 32.562 18.008 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.490 33.697 18.377 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.104 34.244 17.475 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -4.582 34.009 19.552 1.00 0.00 O ATOM 0 H GLU A 76 -1.454 32.654 16.394 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.812 30.210 16.851 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.772 32.964 15.901 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.829 31.702 16.503 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.676 31.727 18.696 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.509 32.892 18.102 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.778 31.356 13.766 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.050 30.995 12.382 1.00 0.00 C ATOM 1261 C GLN A 77 -2.163 29.830 11.974 1.00 0.00 C ATOM 1262 O GLN A 77 -2.580 28.946 11.225 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.795 32.197 11.470 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.788 33.316 11.805 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.530 34.543 10.932 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -3.666 34.481 9.710 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -3.171 35.667 11.494 1.00 0.00 N ATOM 0 H GLN A 77 -2.291 32.244 13.886 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.094 30.697 12.286 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.773 32.553 11.598 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.901 31.903 10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.808 32.962 11.652 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.698 33.586 12.857 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.058 35.718 12.507 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.003 36.493 10.920 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.937 29.832 12.486 1.00 0.00 N ATOM 1277 CA TRP A 78 0.004 28.766 12.183 1.00 0.00 C ATOM 1278 C TRP A 78 -0.607 27.421 12.567 1.00 0.00 C ATOM 1279 O TRP A 78 -0.559 26.462 11.794 1.00 0.00 O ATOM 1280 CB TRP A 78 1.308 28.980 12.956 1.00 0.00 C ATOM 1281 CG TRP A 78 2.442 28.409 12.174 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.697 27.089 12.018 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.479 29.117 11.437 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.824 26.944 11.227 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.343 28.165 10.849 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.751 30.481 11.226 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.439 28.551 10.077 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.856 30.875 10.450 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.700 29.911 9.878 1.00 0.00 C ATOM 0 H TRP A 78 -0.576 30.555 13.108 1.00 0.00 H new ATOM 0 HA TRP A 78 0.221 28.775 11.115 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.471 30.044 13.131 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.248 28.502 13.934 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.117 26.282 12.441 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.222 26.044 10.957 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.107 31.230 11.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 6.082 27.804 9.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.056 31.925 10.294 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.549 30.218 9.286 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.203 27.369 13.760 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.847 26.146 14.232 1.00 0.00 C ATOM 1302 C ASN A 79 -3.096 25.874 13.406 1.00 0.00 C ATOM 1303 O ASN A 79 -3.366 24.739 13.017 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.241 26.278 15.707 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.998 26.405 16.575 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.176 26.430 16.012 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -1.099 26.481 17.800 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.252 28.153 14.410 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.142 25.322 14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.879 27.151 15.843 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.821 25.408 16.015 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.020 26.461 18.238 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.262 26.564 18.377 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.851 26.934 13.139 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.072 26.813 12.358 1.00 0.00 C ATOM 1316 C LYS A 80 -4.746 26.819 10.870 1.00 0.00 C ATOM 1317 O LYS A 80 -5.644 26.779 10.027 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.020 27.969 12.685 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.394 27.919 14.171 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.719 28.658 14.405 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.538 30.160 14.156 1.00 0.00 C ATOM 1322 NZ LYS A 80 -6.891 30.785 15.343 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.639 27.882 13.451 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.558 25.870 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.544 28.921 12.451 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.918 27.902 12.071 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.484 26.883 14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.604 28.374 14.769 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.487 28.262 13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.062 28.490 15.426 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.927 30.321 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.504 30.627 13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.336 31.611 15.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.622 31.087 16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.262 30.094 15.800 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.453 26.870 10.560 1.00 0.00 N ATOM 1337 CA ASP A 81 -2.995 26.882 9.177 1.00 0.00 C ATOM 1338 C ASP A 81 -3.458 28.153 8.473 1.00 0.00 C ATOM 1339 O ASP A 81 -2.620 29.003 8.223 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.527 25.653 8.438 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.999 24.384 9.096 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.971 24.463 9.748 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -3.630 23.351 8.939 1.00 0.00 O ATOM 1344 OXT ASP A 81 -4.641 28.259 8.198 1.00 0.00 O ATOM 0 H ASP A 81 -2.704 26.904 11.251 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.905 26.857 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.617 25.653 8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.221 25.686 7.392 1.00 0.00 H new TER 1349 ASP A 81